Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:22:19 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./Zr5Sb3P.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 59 48 13 2145 1604 233 Max 60 49 14 2150 1623 238 Sum 4267 3505 967 154597 116101 16965 bravais-lattice index = 14 lattice parameter (alat) = 15.9909 a.u. unit-cell volume = 2432.6157 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 80.00 number of Kohn-Sham states= 96 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.990861 celldm(2)= 1.000000 celldm(3)= 0.686953 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 0.686953 ) 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 1.455703 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) P 5.00 30.97380 P( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3434767 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3434767 ) 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 ) ( -0.3434767 ) 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 ) ( -0.3434767 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3434767 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3434767 ) 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 ) ( -0.3434767 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3434767 ) 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 ) ( -0.3434767 ) 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 ) ( -0.3434767 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3434767 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3434767 ) 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= 213 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 2) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0046948 k( 3) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0046948 k( 4) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0046948 k( 5) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0046948 k( 6) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0046948 k( 7) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0046948 k( 8) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0046948 k( 9) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0046948 k( 10) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0046948 k( 11) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0046948 k( 12) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0046948 k( 13) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0046948 k( 14) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0046948 k( 15) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0046948 k( 16) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0046948 k( 17) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0046948 k( 18) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0046948 k( 19) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0046948 k( 20) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0046948 k( 21) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0046948 k( 22) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0046948 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 25) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0046948 k( 26) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0046948 k( 27) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0046948 k( 28) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0046948 k( 29) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0046948 k( 30) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0046948 k( 31) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0046948 k( 32) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0046948 k( 33) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0046948 k( 34) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0046948 k( 35) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0046948 k( 36) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0046948 k( 37) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 39) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0046948 k( 40) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0046948 k( 41) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0046948 k( 42) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0046948 k( 43) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0046948 k( 44) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0046948 k( 45) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0046948 k( 46) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0046948 k( 47) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0046948 k( 48) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0046948 k( 49) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0046948 k( 50) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0046948 k( 51) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0046948 k( 52) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0046948 k( 53) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0046948 k( 54) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0046948 k( 55) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0046948 k( 56) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0046948 k( 57) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0046948 k( 58) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0046948 k( 59) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0046948 k( 60) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0046948 k( 61) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0046948 k( 62) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0046948 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 65) = ( 0.0000000 0.0000000 0.0259947), wk = 0.0046948 k( 66) = ( 0.0000000 0.0000000 0.0519894), wk = 0.0046948 k( 67) = ( 0.0000000 0.0000000 0.0779841), wk = 0.0046948 k( 68) = ( 0.0000000 0.0000000 0.1039788), wk = 0.0046948 k( 69) = ( 0.0000000 0.0000000 0.1299735), wk = 0.0046948 k( 70) = ( 0.0000000 0.0000000 0.1559682), wk = 0.0046948 k( 71) = ( 0.0000000 0.0000000 0.1819628), wk = 0.0046948 k( 72) = ( 0.0000000 0.0000000 0.2079575), wk = 0.0046948 k( 73) = ( 0.0000000 0.0000000 0.2339522), wk = 0.0046948 k( 74) = ( 0.0000000 0.0000000 0.2599469), wk = 0.0046948 k( 75) = ( 0.0000000 0.0000000 0.2859416), wk = 0.0046948 k( 76) = ( 0.0000000 0.0000000 0.3119363), wk = 0.0046948 k( 77) = ( 0.0000000 0.0000000 0.3379310), wk = 0.0046948 k( 78) = ( 0.0000000 0.0000000 0.3639257), wk = 0.0046948 k( 79) = ( 0.0000000 0.0000000 0.3899204), wk = 0.0046948 k( 80) = ( 0.0000000 0.0000000 0.4159151), wk = 0.0046948 k( 81) = ( 0.0000000 0.0000000 0.4419098), wk = 0.0046948 k( 82) = ( 0.0000000 0.0000000 0.4679044), wk = 0.0046948 k( 83) = ( 0.0000000 0.0000000 0.4938991), wk = 0.0046948 k( 84) = ( 0.0000000 0.0000000 0.5198938), wk = 0.0046948 k( 85) = ( 0.0000000 0.0000000 0.5458885), wk = 0.0046948 k( 86) = ( 0.0000000 0.0000000 0.5718832), wk = 0.0046948 k( 87) = ( 0.0000000 0.0000000 0.5978779), wk = 0.0046948 k( 88) = ( 0.0000000 0.0000000 0.6238726), wk = 0.0046948 k( 89) = ( 0.0000000 0.0000000 0.6498673), wk = 0.0046948 k( 90) = ( 0.0000000 0.0000000 0.6758620), wk = 0.0046948 k( 91) = ( 0.0000000 0.0000000 0.7018567), wk = 0.0046948 k( 92) = ( 0.0000000 0.0000000 0.7278514), wk = 0.0046948 k( 93) = ( 0.0000000 0.0000000 0.7278514), wk = 0.0046948 k( 94) = ( 0.0227273 0.0131216 0.7278514), wk = 0.0046948 k( 95) = ( 0.0454546 0.0262432 0.7278514), wk = 0.0046948 k( 96) = ( 0.0681818 0.0393648 0.7278514), wk = 0.0046948 k( 97) = ( 0.0909091 0.0524864 0.7278514), wk = 0.0046948 k( 98) = ( 0.1136364 0.0656080 0.7278514), wk = 0.0046948 k( 99) = ( 0.1363636 0.0787296 0.7278514), wk = 0.0046948 k( 100) = ( 0.1590909 0.0918512 0.7278514), wk = 0.0046948 k( 101) = ( 0.1818182 0.1049728 0.7278514), wk = 0.0046948 k( 102) = ( 0.2045454 0.1180944 0.7278514), wk = 0.0046948 k( 103) = ( 0.2272727 0.1312160 0.7278514), wk = 0.0046948 k( 104) = ( 0.2500000 0.1443376 0.7278514), wk = 0.0046948 k( 105) = ( 0.2727273 0.1574592 0.7278514), wk = 0.0046948 k( 106) = ( 0.2954545 0.1705808 0.7278514), wk = 0.0046948 k( 107) = ( 0.3181818 0.1837024 0.7278514), wk = 0.0046948 k( 108) = ( 0.3409091 0.1968240 0.7278514), wk = 0.0046948 k( 109) = ( 0.3636364 0.2099456 0.7278514), wk = 0.0046948 k( 110) = ( 0.3863636 0.2230672 0.7278514), wk = 0.0046948 k( 111) = ( 0.4090909 0.2361887 0.7278514), wk = 0.0046948 k( 112) = ( 0.4318182 0.2493103 0.7278514), wk = 0.0046948 k( 113) = ( 0.4545455 0.2624319 0.7278514), wk = 0.0046948 k( 114) = ( 0.4772727 0.2755535 0.7278514), wk = 0.0046948 k( 115) = ( 0.5000000 0.2886751 0.7278514), wk = 0.0046948 k( 116) = ( 0.5000000 0.2886751 0.7278514), wk = 0.0046948 k( 117) = ( 0.4871795 0.3108809 0.7278514), wk = 0.0046948 k( 118) = ( 0.4743590 0.3330867 0.7278514), wk = 0.0046948 k( 119) = ( 0.4615385 0.3552925 0.7278514), wk = 0.0046948 k( 120) = ( 0.4487179 0.3774983 0.7278514), wk = 0.0046948 k( 121) = ( 0.4358974 0.3997040 0.7278514), wk = 0.0046948 k( 122) = ( 0.4230769 0.4219098 0.7278514), wk = 0.0046948 k( 123) = ( 0.4102564 0.4441156 0.7278514), wk = 0.0046948 k( 124) = ( 0.3974359 0.4663214 0.7278514), wk = 0.0046948 k( 125) = ( 0.3846154 0.4885271 0.7278514), wk = 0.0046948 k( 126) = ( 0.3717949 0.5107329 0.7278514), wk = 0.0046948 k( 127) = ( 0.3589744 0.5329387 0.7278514), wk = 0.0046948 k( 128) = ( 0.3461538 0.5551445 0.7278514), wk = 0.0046948 k( 129) = ( 0.3333333 0.5773503 0.7278514), wk = 0.0046948 k( 130) = ( 0.3333333 0.5773503 0.7278514), wk = 0.0046948 k( 131) = ( 0.3200000 0.5542563 0.7278514), wk = 0.0046948 k( 132) = ( 0.3066667 0.5311623 0.7278514), wk = 0.0046948 k( 133) = ( 0.2933333 0.5080682 0.7278514), wk = 0.0046948 k( 134) = ( 0.2800000 0.4849742 0.7278514), wk = 0.0046948 k( 135) = ( 0.2666667 0.4618802 0.7278514), wk = 0.0046948 k( 136) = ( 0.2533333 0.4387862 0.7278514), wk = 0.0046948 k( 137) = ( 0.2400000 0.4156922 0.7278514), wk = 0.0046948 k( 138) = ( 0.2266667 0.3925982 0.7278514), wk = 0.0046948 k( 139) = ( 0.2133333 0.3695042 0.7278514), wk = 0.0046948 k( 140) = ( 0.2000000 0.3464102 0.7278514), wk = 0.0046948 k( 141) = ( 0.1866667 0.3233162 0.7278514), wk = 0.0046948 k( 142) = ( 0.1733333 0.3002221 0.7278514), wk = 0.0046948 k( 143) = ( 0.1600000 0.2771281 0.7278514), wk = 0.0046948 k( 144) = ( 0.1466667 0.2540341 0.7278514), wk = 0.0046948 k( 145) = ( 0.1333333 0.2309401 0.7278514), wk = 0.0046948 k( 146) = ( 0.1200000 0.2078461 0.7278514), wk = 0.0046948 k( 147) = ( 0.1066667 0.1847521 0.7278514), wk = 0.0046948 k( 148) = ( 0.0933333 0.1616581 0.7278514), wk = 0.0046948 k( 149) = ( 0.0800000 0.1385641 0.7278514), wk = 0.0046948 k( 150) = ( 0.0666667 0.1154701 0.7278514), wk = 0.0046948 k( 151) = ( 0.0533333 0.0923760 0.7278514), wk = 0.0046948 k( 152) = ( 0.0400000 0.0692820 0.7278514), wk = 0.0046948 k( 153) = ( 0.0266667 0.0461880 0.7278514), wk = 0.0046948 k( 154) = ( 0.0133333 0.0230940 0.7278514), wk = 0.0046948 k( 155) = ( 0.0000000 0.0000000 0.7278514), wk = 0.0046948 k( 156) = ( 0.5000000 0.2886751 0.7278514), wk = 0.0046948 k( 157) = ( 0.5000000 0.2886751 0.7018567), wk = 0.0046948 k( 158) = ( 0.5000000 0.2886751 0.6758620), wk = 0.0046948 k( 159) = ( 0.5000000 0.2886751 0.6498673), wk = 0.0046948 k( 160) = ( 0.5000000 0.2886751 0.6238726), wk = 0.0046948 k( 161) = ( 0.5000000 0.2886751 0.5978779), wk = 0.0046948 k( 162) = ( 0.5000000 0.2886751 0.5718832), wk = 0.0046948 k( 163) = ( 0.5000000 0.2886751 0.5458885), wk = 0.0046948 k( 164) = ( 0.5000000 0.2886751 0.5198938), wk = 0.0046948 k( 165) = ( 0.5000000 0.2886751 0.4938991), wk = 0.0046948 k( 166) = ( 0.5000000 0.2886751 0.4679044), wk = 0.0046948 k( 167) = ( 0.5000000 0.2886751 0.4419098), wk = 0.0046948 k( 168) = ( 0.5000000 0.2886751 0.4159151), wk = 0.0046948 k( 169) = ( 0.5000000 0.2886751 0.3899204), wk = 0.0046948 k( 170) = ( 0.5000000 0.2886751 0.3639257), wk = 0.0046948 k( 171) = ( 0.5000000 0.2886751 0.3379310), wk = 0.0046948 k( 172) = ( 0.5000000 0.2886751 0.3119363), wk = 0.0046948 k( 173) = ( 0.5000000 0.2886751 0.2859416), wk = 0.0046948 k( 174) = ( 0.5000000 0.2886751 0.2599469), wk = 0.0046948 k( 175) = ( 0.5000000 0.2886751 0.2339522), wk = 0.0046948 k( 176) = ( 0.5000000 0.2886751 0.2079575), wk = 0.0046948 k( 177) = ( 0.5000000 0.2886751 0.1819628), wk = 0.0046948 k( 178) = ( 0.5000000 0.2886751 0.1559682), wk = 0.0046948 k( 179) = ( 0.5000000 0.2886751 0.1299735), wk = 0.0046948 k( 180) = ( 0.5000000 0.2886751 0.1039788), wk = 0.0046948 k( 181) = ( 0.5000000 0.2886751 0.0779841), wk = 0.0046948 k( 182) = ( 0.5000000 0.2886751 0.0519894), wk = 0.0046948 k( 183) = ( 0.5000000 0.2886751 0.0259947), wk = 0.0046948 k( 184) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0046948 k( 185) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0046948 k( 186) = ( 0.3333333 0.5773503 0.0259947), wk = 0.0046948 k( 187) = ( 0.3333333 0.5773503 0.0519894), wk = 0.0046948 k( 188) = ( 0.3333333 0.5773503 0.0779841), wk = 0.0046948 k( 189) = ( 0.3333333 0.5773503 0.1039788), wk = 0.0046948 k( 190) = ( 0.3333333 0.5773503 0.1299735), wk = 0.0046948 k( 191) = ( 0.3333333 0.5773503 0.1559682), wk = 0.0046948 k( 192) = ( 0.3333333 0.5773503 0.1819628), wk = 0.0046948 k( 193) = ( 0.3333333 0.5773503 0.2079575), wk = 0.0046948 k( 194) = ( 0.3333333 0.5773503 0.2339522), wk = 0.0046948 k( 195) = ( 0.3333333 0.5773503 0.2599469), wk = 0.0046948 k( 196) = ( 0.3333333 0.5773503 0.2859416), wk = 0.0046948 k( 197) = ( 0.3333333 0.5773503 0.3119363), wk = 0.0046948 k( 198) = ( 0.3333333 0.5773503 0.3379310), wk = 0.0046948 k( 199) = ( 0.3333333 0.5773503 0.3639257), wk = 0.0046948 k( 200) = ( 0.3333333 0.5773503 0.3899204), wk = 0.0046948 k( 201) = ( 0.3333333 0.5773503 0.4159151), wk = 0.0046948 k( 202) = ( 0.3333333 0.5773503 0.4419098), wk = 0.0046948 k( 203) = ( 0.3333333 0.5773503 0.4679044), wk = 0.0046948 k( 204) = ( 0.3333333 0.5773503 0.4938991), wk = 0.0046948 k( 205) = ( 0.3333333 0.5773503 0.5198938), wk = 0.0046948 k( 206) = ( 0.3333333 0.5773503 0.5458885), wk = 0.0046948 k( 207) = ( 0.3333333 0.5773503 0.5718832), wk = 0.0046948 k( 208) = ( 0.3333333 0.5773503 0.5978779), wk = 0.0046948 k( 209) = ( 0.3333333 0.5773503 0.6238726), wk = 0.0046948 k( 210) = ( 0.3333333 0.5773503 0.6498673), wk = 0.0046948 k( 211) = ( 0.3333333 0.5773503 0.6758620), wk = 0.0046948 k( 212) = ( 0.3333333 0.5773503 0.7018567), wk = 0.0046948 k( 213) = ( 0.3333333 0.5773503 0.7278514), wk = 0.0046948 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 2) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0046948 k( 3) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0046948 k( 4) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0046948 k( 5) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0046948 k( 6) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0046948 k( 7) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0046948 k( 8) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0046948 k( 9) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0046948 k( 10) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0046948 k( 11) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0046948 k( 12) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0046948 k( 13) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0046948 k( 14) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0046948 k( 15) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0046948 k( 16) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0046948 k( 17) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0046948 k( 18) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0046948 k( 19) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0046948 k( 20) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0046948 k( 21) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0046948 k( 22) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0046948 k( 23) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046948 k( 24) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046948 k( 25) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0046948 k( 26) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0046948 k( 27) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0046948 k( 28) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0046948 k( 29) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0046948 k( 30) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0046948 k( 31) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0046948 k( 32) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0046948 k( 33) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0046948 k( 34) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0046948 k( 35) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0046948 k( 36) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0046948 k( 37) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046948 k( 38) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046948 k( 39) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0046948 k( 40) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0046948 k( 41) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0046948 k( 42) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0046948 k( 43) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0046948 k( 44) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0046948 k( 45) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0046948 k( 46) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0046948 k( 47) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0046948 k( 48) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0046948 k( 49) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0046948 k( 50) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0046948 k( 51) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0046948 k( 52) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0046948 k( 53) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0046948 k( 54) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0046948 k( 55) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0046948 k( 56) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0046948 k( 57) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0046948 k( 58) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0046948 k( 59) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0046948 k( 60) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0046948 k( 61) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0046948 k( 62) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0046948 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046948 k( 65) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0046948 k( 66) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0046948 k( 67) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0046948 k( 68) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0046948 k( 69) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0046948 k( 70) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0046948 k( 71) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0046948 k( 72) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0046948 k( 73) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0046948 k( 74) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0046948 k( 75) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0046948 k( 76) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0046948 k( 77) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0046948 k( 78) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0046948 k( 79) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0046948 k( 80) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0046948 k( 81) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0046948 k( 82) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0046948 k( 83) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0046948 k( 84) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0046948 k( 85) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0046948 k( 86) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0046948 k( 87) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0046948 k( 88) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0046948 k( 89) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0046948 k( 90) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0046948 k( 91) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0046948 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 93) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 94) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0046948 k( 95) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0046948 k( 96) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0046948 k( 97) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0046948 k( 98) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0046948 k( 99) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0046948 k( 100) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0046948 k( 101) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0046948 k( 102) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0046948 k( 103) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0046948 k( 104) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0046948 k( 105) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0046948 k( 106) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0046948 k( 107) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0046948 k( 108) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0046948 k( 109) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0046948 k( 110) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0046948 k( 111) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0046948 k( 112) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0046948 k( 113) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0046948 k( 114) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0046948 k( 115) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046948 k( 116) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046948 k( 117) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0046948 k( 118) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0046948 k( 119) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0046948 k( 120) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0046948 k( 121) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0046948 k( 122) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0046948 k( 123) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0046948 k( 124) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0046948 k( 125) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0046948 k( 126) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0046948 k( 127) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0046948 k( 128) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0046948 k( 129) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 k( 130) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 k( 131) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0046948 k( 132) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0046948 k( 133) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0046948 k( 134) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0046948 k( 135) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0046948 k( 136) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0046948 k( 137) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0046948 k( 138) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0046948 k( 139) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0046948 k( 140) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0046948 k( 141) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0046948 k( 142) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0046948 k( 143) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0046948 k( 144) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0046948 k( 145) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0046948 k( 146) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0046948 k( 147) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0046948 k( 148) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0046948 k( 149) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0046948 k( 150) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0046948 k( 151) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0046948 k( 152) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0046948 k( 153) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0046948 k( 154) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0046948 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0046948 k( 156) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0046948 k( 157) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0046948 k( 158) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0046948 k( 159) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0046948 k( 160) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0046948 k( 161) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0046948 k( 162) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0046948 k( 163) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0046948 k( 164) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0046948 k( 165) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0046948 k( 166) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0046948 k( 167) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0046948 k( 168) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0046948 k( 169) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0046948 k( 170) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0046948 k( 171) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0046948 k( 172) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0046948 k( 173) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0046948 k( 174) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0046948 k( 175) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0046948 k( 176) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0046948 k( 177) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0046948 k( 178) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0046948 k( 179) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0046948 k( 180) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0046948 k( 181) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0046948 k( 182) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0046948 k( 183) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0046948 k( 184) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046948 k( 185) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046948 k( 186) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0046948 k( 187) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0046948 k( 188) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0046948 k( 189) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0046948 k( 190) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0046948 k( 191) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0046948 k( 192) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0046948 k( 193) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0046948 k( 194) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0046948 k( 195) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0046948 k( 196) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0046948 k( 197) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0046948 k( 198) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0046948 k( 199) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0046948 k( 200) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0046948 k( 201) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0046948 k( 202) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0046948 k( 203) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0046948 k( 204) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0046948 k( 205) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0046948 k( 206) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0046948 k( 207) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0046948 k( 208) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0046948 k( 209) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0046948 k( 210) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0046948 k( 211) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0046948 k( 212) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0046948 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0046948 Dense grid: 154597 G-vectors FFT dimensions: ( 80, 80, 60) Smooth grid: 116101 G-vectors FFT dimensions: ( 72, 72, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.61 Mb ( 416, 96) NL pseudopotentials 1.37 Mb ( 208, 432) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2147) G-vector shells 0.01 Mb ( 1066) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.44 Mb ( 416, 384) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 1.27 Mb ( 432, 2, 96) The potential is recalculated from file : ./Zr5Sb3P.save/charge-density.dat Starting wfc are 244 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 12.5 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 22.1 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 32.0 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 41.8 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.1 secs Computing kpt #: 6 total cpu time spent up to now is 60.9 secs Computing kpt #: 7 total cpu time spent up to now is 69.2 secs Computing kpt #: 8 total cpu time spent up to now is 76.7 secs Computing kpt #: 9 total cpu time spent up to now is 85.7 secs Computing kpt #: 10 total cpu time spent up to now is 95.3 secs Computing kpt #: 11 total cpu time spent up to now is 104.3 secs Computing kpt #: 12 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.5 secs Computing kpt #: 13 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.5 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.4 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.4 secs Computing kpt #: 16 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.3 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 164.2 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.4 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.2 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.6 secs Computing kpt #: 21 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 204.9 secs Computing kpt #: 22 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 215.2 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.0 secs Computing kpt #: 24 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.4 secs Computing kpt #: 25 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 244.8 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.5 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.7 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.2 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.7 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.4 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.2 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 313.0 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.2 secs Computing kpt #: 34 total cpu time spent up to now is 332.9 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.4 secs Computing kpt #: 36 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 353.9 secs Computing kpt #: 37 total cpu time spent up to now is 363.1 secs Computing kpt #: 38 total cpu time spent up to now is 371.6 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.1 secs Computing kpt #: 40 total cpu time spent up to now is 391.0 secs Computing kpt #: 41 total cpu time spent up to now is 398.1 secs Computing kpt #: 42 total cpu time spent up to now is 404.3 secs Computing kpt #: 43 total cpu time spent up to now is 410.3 secs Computing kpt #: 44 total cpu time spent up to now is 416.4 secs Computing kpt #: 45 total cpu time spent up to now is 422.4 secs Computing kpt #: 46 total cpu time spent up to now is 428.4 secs Computing kpt #: 47 total cpu time spent up to now is 435.1 secs Computing kpt #: 48 total cpu time spent up to now is 442.8 secs Computing kpt #: 49 total cpu time spent up to now is 451.5 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.8 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 472.3 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 482.6 secs Computing kpt #: 53 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 492.8 secs Computing kpt #: 54 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 503.9 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.7 secs Computing kpt #: 56 total cpu time spent up to now is 522.2 secs Computing kpt #: 57 total cpu time spent up to now is 529.9 secs Computing kpt #: 58 total cpu time spent up to now is 536.9 secs Computing kpt #: 59 total cpu time spent up to now is 545.6 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 555.1 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.9 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 573.9 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 583.4 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 593.1 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.3 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 612.1 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 621.1 secs Computing kpt #: 68 total cpu time spent up to now is 630.1 secs Computing kpt #: 69 total cpu time spent up to now is 638.3 secs Computing kpt #: 70 total cpu time spent up to now is 645.4 secs Computing kpt #: 71 total cpu time spent up to now is 653.0 secs Computing kpt #: 72 total cpu time spent up to now is 660.3 secs Computing kpt #: 73 total cpu time spent up to now is 666.7 secs Computing kpt #: 74 total cpu time spent up to now is 672.8 secs Computing kpt #: 75 total cpu time spent up to now is 680.1 secs Computing kpt #: 76 total cpu time spent up to now is 687.1 secs Computing kpt #: 77 total cpu time spent up to now is 694.7 secs Computing kpt #: 78 total cpu time spent up to now is 703.5 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 714.1 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 724.4 secs Computing kpt #: 81 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 735.5 secs Computing kpt #: 82 total cpu time spent up to now is 746.2 secs Computing kpt #: 83 total cpu time spent up to now is 757.5 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 768.2 secs Computing kpt #: 85 total cpu time spent up to now is 777.3 secs Computing kpt #: 86 total cpu time spent up to now is 785.5 secs Computing kpt #: 87 total cpu time spent up to now is 793.2 secs Computing kpt #: 88 total cpu time spent up to now is 801.6 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 812.2 secs Computing kpt #: 90 total cpu time spent up to now is 822.4 secs Computing kpt #: 91 total cpu time spent up to now is 832.1 secs Computing kpt #: 92 total cpu time spent up to now is 840.7 secs Computing kpt #: 93 total cpu time spent up to now is 849.7 secs Computing kpt #: 94 total cpu time spent up to now is 857.2 secs Computing kpt #: 95 total cpu time spent up to now is 864.1 secs Computing kpt #: 96 total cpu time spent up to now is 871.1 secs Computing kpt #: 97 total cpu time spent up to now is 878.1 secs Computing kpt #: 98 total cpu time spent up to now is 884.4 secs Computing kpt #: 99 total cpu time spent up to now is 891.2 secs Computing kpt #: 100 total cpu time spent up to now is 898.2 secs Computing kpt #: 101 total cpu time spent up to now is 905.2 secs Computing kpt #: 102 total cpu time spent up to now is 912.3 secs Computing kpt #: 103 total cpu time spent up to now is 919.7 secs Computing kpt #: 104 total cpu time spent up to now is 926.9 secs Computing kpt #: 105 total cpu time spent up to now is 933.7 secs Computing kpt #: 106 total cpu time spent up to now is 940.3 secs Computing kpt #: 107 total cpu time spent up to now is 947.6 secs Computing kpt #: 108 total cpu time spent up to now is 956.7 secs Computing kpt #: 109 total cpu time spent up to now is 965.6 secs Computing kpt #: 110 total cpu time spent up to now is 973.6 secs Computing kpt #: 111 total cpu time spent up to now is 980.7 secs Computing kpt #: 112 total cpu time spent up to now is 986.7 secs Computing kpt #: 113 total cpu time spent up to now is 993.0 secs Computing kpt #: 114 total cpu time spent up to now is 999.2 secs Computing kpt #: 115 total cpu time spent up to now is 1005.1 secs Computing kpt #: 116 total cpu time spent up to now is 1011.1 secs Computing kpt #: 117 total cpu time spent up to now is 1017.0 secs Computing kpt #: 118 total cpu time spent up to now is 1023.4 secs Computing kpt #: 119 total cpu time spent up to now is 1029.9 secs Computing kpt #: 120 total cpu time spent up to now is 1036.9 secs Computing kpt #: 121 total cpu time spent up to now is 1044.5 secs Computing kpt #: 122 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1055.0 secs Computing kpt #: 123 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1065.1 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1075.0 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1085.0 secs Computing kpt #: 126 total cpu time spent up to now is 1094.9 secs Computing kpt #: 127 total cpu time spent up to now is 1103.2 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1113.5 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1124.9 secs Computing kpt #: 130 total cpu time spent up to now is 1134.5 secs Computing kpt #: 131 total cpu time spent up to now is 1143.5 secs Computing kpt #: 132 total cpu time spent up to now is 1152.3 secs Computing kpt #: 133 total cpu time spent up to now is 1160.6 secs Computing kpt #: 134 total cpu time spent up to now is 1168.8 secs Computing kpt #: 135 total cpu time spent up to now is 1178.5 secs Computing kpt #: 136 total cpu time spent up to now is 1188.7 secs Computing kpt #: 137 total cpu time spent up to now is 1198.6 secs Computing kpt #: 138 total cpu time spent up to now is 1207.3 secs Computing kpt #: 139 total cpu time spent up to now is 1216.5 secs Computing kpt #: 140 total cpu time spent up to now is 1225.2 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1235.4 secs Computing kpt #: 142 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1246.1 secs Computing kpt #: 143 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1256.2 secs Computing kpt #: 144 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1266.6 secs Computing kpt #: 145 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1276.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1287.0 secs Computing kpt #: 147 total cpu time spent up to now is 1295.3 secs Computing kpt #: 148 total cpu time spent up to now is 1302.5 secs Computing kpt #: 149 total cpu time spent up to now is 1309.3 secs Computing kpt #: 150 total cpu time spent up to now is 1315.9 secs Computing kpt #: 151 total cpu time spent up to now is 1322.4 secs Computing kpt #: 152 total cpu time spent up to now is 1328.7 secs Computing kpt #: 153 total cpu time spent up to now is 1335.4 secs Computing kpt #: 154 total cpu time spent up to now is 1343.2 secs Computing kpt #: 155 total cpu time spent up to now is 1351.9 secs Computing kpt #: 156 total cpu time spent up to now is 1357.7 secs Computing kpt #: 157 total cpu time spent up to now is 1364.0 secs Computing kpt #: 158 total cpu time spent up to now is 1371.3 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1381.5 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1391.2 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1401.3 secs Computing kpt #: 162 total cpu time spent up to now is 1409.9 secs Computing kpt #: 163 total cpu time spent up to now is 1417.2 secs Computing kpt #: 164 total cpu time spent up to now is 1424.0 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1433.5 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1443.4 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1453.6 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1463.1 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1473.4 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1483.1 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1493.4 secs Computing kpt #: 172 total cpu time spent up to now is 1502.6 secs Computing kpt #: 173 total cpu time spent up to now is 1512.0 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1522.6 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1532.2 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1541.4 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1551.5 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1561.5 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1571.2 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1581.4 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1590.8 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1600.6 secs Computing kpt #: 183 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1610.4 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1620.7 secs Computing kpt #: 185 total cpu time spent up to now is 1629.8 secs Computing kpt #: 186 total cpu time spent up to now is 1638.7 secs Computing kpt #: 187 total cpu time spent up to now is 1647.3 secs Computing kpt #: 188 total cpu time spent up to now is 1654.6 secs Computing kpt #: 189 total cpu time spent up to now is 1661.2 secs Computing kpt #: 190 total cpu time spent up to now is 1667.7 secs Computing kpt #: 191 total cpu time spent up to now is 1677.2 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1687.0 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1697.2 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1708.1 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1717.2 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1727.1 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1736.7 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1745.9 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1756.1 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1765.6 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1775.4 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1785.1 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1795.1 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1804.8 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1814.5 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1824.1 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1834.4 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1844.3 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1854.3 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1864.8 secs Computing kpt #: 211 total cpu time spent up to now is 1872.7 secs Computing kpt #: 212 total cpu time spent up to now is 1880.7 secs Computing kpt #: 213 total cpu time spent up to now is 1891.1 secs ethr = 1.25E-08, avg # of iterations = 96.7 total cpu time spent up to now is 1891.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14539 PWs) bands (ev): -1.8664 -1.8664 -0.2196 -0.2196 -0.0654 -0.0654 -0.0651 -0.0651 0.5762 0.5762 0.5885 0.5885 0.9073 0.9073 1.1582 1.1582 4.7887 4.7887 5.1056 5.1056 5.1854 5.1854 5.1933 5.1933 5.3016 5.3016 5.9723 5.9723 6.1525 6.1525 6.1745 6.1745 6.3262 6.3262 6.3700 6.3700 6.4930 6.4930 6.7415 6.7415 6.8358 6.8358 6.8489 6.8489 6.9326 6.9326 7.0032 7.0032 8.2918 8.2918 8.3769 8.3769 8.4274 8.4274 8.6492 8.6492 8.6993 8.6993 8.7320 8.7320 8.9078 8.9078 8.9420 8.9420 8.9593 8.9593 8.9900 8.9900 8.9989 8.9989 9.0108 9.0108 9.4529 9.4529 10.0152 10.0152 11.0682 11.0682 11.1560 11.1560 11.4189 11.4189 11.5444 11.5444 11.5462 11.5462 11.6053 11.6053 11.7721 11.7721 11.8819 11.8819 11.8871 11.8871 12.1177 12.1462 k = 0.0227 0.0131-0.0000 ( 14541 PWs) bands (ev): -1.8652 -1.8652 -0.2217 -0.2217 -0.0669 -0.0669 -0.0660 -0.0660 0.5775 0.5775 0.5898 0.5898 0.9075 0.9075 1.1581 1.1581 4.7891 4.7891 5.1066 5.1066 5.1859 5.1859 5.1945 5.1945 5.2967 5.2967 5.9748 5.9748 6.1548 6.1548 6.1732 6.1732 6.3263 6.3263 6.3747 6.3747 6.4963 6.4963 6.7239 6.7239 6.8410 6.8410 6.8580 6.8580 6.9336 6.9336 7.0045 7.0045 8.2955 8.2955 8.3750 8.3750 8.4232 8.4232 8.6452 8.6452 8.6970 8.6970 8.7296 8.7296 8.8987 8.8987 8.9351 8.9351 8.9678 8.9678 8.9904 8.9904 8.9997 8.9997 9.0178 9.0178 9.4526 9.4526 10.0205 10.0205 11.0657 11.0657 11.1534 11.1534 11.4163 11.4163 11.5249 11.5249 11.5525 11.5525 11.5931 11.5931 11.7909 11.7909 11.8776 11.8776 11.8835 11.8835 12.1185 12.1194 k = 0.0455 0.0262-0.0000 ( 14537 PWs) bands (ev): -1.8617 -1.8617 -0.2283 -0.2283 -0.0715 -0.0715 -0.0682 -0.0682 0.5811 0.5811 0.5938 0.5938 0.9081 0.9081 1.1581 1.1581 4.7903 4.7903 5.1091 5.1091 5.1873 5.1873 5.1979 5.1979 5.2834 5.2834 5.9816 5.9816 6.1617 6.1617 6.1694 6.1694 6.3263 6.3263 6.3882 6.3882 6.5065 6.5065 6.6854 6.6854 6.8458 6.8458 6.8822 6.8822 6.9367 6.9367 7.0082 7.0082 8.3063 8.3063 8.3690 8.3690 8.4106 8.4106 8.6339 8.6339 8.6902 8.6902 8.7227 8.7227 8.8795 8.8795 8.9200 8.9200 8.9777 8.9777 8.9949 8.9949 9.0049 9.0049 9.0346 9.0346 9.4516 9.4516 10.0362 10.0362 11.0584 11.0584 11.1455 11.1455 11.4086 11.4086 11.4869 11.4869 11.5468 11.5468 11.5758 11.5758 11.8312 11.8312 11.8625 11.8625 11.8768 11.8768 12.1259 12.1276 k = 0.0682 0.0394-0.0000 ( 14547 PWs) bands (ev): -1.8559 -1.8559 -0.2395 -0.2395 -0.0784 -0.0784 -0.0717 -0.0717 0.5861 0.5861 0.6009 0.6009 0.9091 0.9091 1.1580 1.1580 4.7923 4.7923 5.1118 5.1118 5.1896 5.1896 5.2021 5.2021 5.2662 5.2662 5.9916 5.9916 6.1633 6.1633 6.1730 6.1730 6.3268 6.3268 6.4085 6.4085 6.5240 6.5240 6.6391 6.6391 6.8511 6.8511 6.9079 6.9079 6.9417 6.9417 7.0142 7.0142 8.3239 8.3239 8.3591 8.3591 8.3900 8.3900 8.6165 8.6165 8.6787 8.6787 8.7120 8.7120 8.8556 8.8556 8.9037 8.9037 8.9728 8.9728 9.0102 9.0102 9.0150 9.0150 9.0572 9.0572 9.4501 9.4501 10.0614 10.0614 11.0459 11.0459 11.1320 11.1320 11.3968 11.3968 11.4356 11.4356 11.5219 11.5219 11.5734 11.5734 11.8333 11.8333 11.8634 11.8634 11.8838 11.8838 12.1090 12.1090 k = 0.0909 0.0525-0.0000 ( 14539 PWs) bands (ev): -1.8478 -1.8478 -0.2558 -0.2558 -0.0866 -0.0866 -0.0764 -0.0764 0.5920 0.5920 0.6109 0.6109 0.9105 0.9105 1.1579 1.1579 4.7949 4.7949 5.1106 5.1106 5.1920 5.1920 5.2043 5.2043 5.2548 5.2548 6.0029 6.0029 6.1553 6.1553 6.1884 6.1884 6.3284 6.3284 6.4325 6.4325 6.5462 6.5462 6.5934 6.5934 6.8579 6.8579 6.9300 6.9300 6.9497 6.9497 7.0219 7.0219 8.3435 8.3435 8.3471 8.3471 8.3639 8.3639 8.5946 8.5946 8.6630 8.6630 8.6981 8.6981 8.8278 8.8278 8.8892 8.8892 8.9630 8.9630 9.0247 9.0247 9.0287 9.0287 9.0842 9.0842 9.4478 9.4478 10.0950 10.0950 11.0280 11.0280 11.1125 11.1125 11.3755 11.3755 11.3850 11.3850 11.4880 11.4880 11.5774 11.5774 11.7994 11.7994 11.8516 11.8516 11.9237 11.9237 12.0935 12.0935 k = 0.1136 0.0656-0.0000 ( 14531 PWs) bands (ev): -1.8375 -1.8375 -0.2771 -0.2771 -0.0953 -0.0953 -0.0822 -0.0822 0.5986 0.5986 0.6234 0.6234 0.9124 0.9124 1.1577 1.1577 4.7982 4.7982 5.0977 5.0977 5.1937 5.1937 5.2068 5.2068 5.2580 5.2580 6.0130 6.0130 6.1467 6.1467 6.2074 6.2074 6.3316 6.3316 6.4547 6.4547 6.5301 6.5301 6.5966 6.5966 6.8662 6.8662 6.9450 6.9450 6.9633 6.9633 7.0308 7.0308 8.3211 8.3211 8.3286 8.3286 8.3801 8.3801 8.5695 8.5695 8.6438 8.6438 8.6810 8.6810 8.7969 8.7969 8.8769 8.8769 8.9522 8.9522 9.0374 9.0374 9.0434 9.0434 9.1140 9.1140 9.4450 9.4450 10.1357 10.1357 11.0040 11.0040 11.0870 11.0870 11.3172 11.3172 11.3679 11.3679 11.4504 11.4504 11.5845 11.5845 11.7586 11.7586 11.8360 11.8360 11.9558 11.9558 12.0817 12.0817 k = 0.1364 0.0787-0.0000 ( 14523 PWs) bands (ev): -1.8250 -1.8250 -0.3034 -0.3034 -0.1037 -0.1037 -0.0889 -0.0889 0.6057 0.6057 0.6375 0.6375 0.9147 0.9147 1.1575 1.1575 4.8021 4.8021 5.0688 5.0688 5.1988 5.1988 5.2151 5.2151 5.2720 5.2720 6.0185 6.0185 6.1398 6.1398 6.2297 6.2297 6.3368 6.3368 6.4504 6.4504 6.5093 6.5093 6.6392 6.6392 6.8758 6.8758 6.9545 6.9545 6.9811 6.9811 7.0401 7.0401 8.2788 8.2788 8.3054 8.3054 8.4144 8.4144 8.5421 8.5421 8.6223 8.6223 8.6606 8.6606 8.7642 8.7642 8.8667 8.8667 8.9418 8.9418 9.0486 9.0486 9.0586 9.0586 9.1452 9.1452 9.4414 9.4414 10.1820 10.1820 10.9733 10.9733 11.0567 11.0567 11.2565 11.2565 11.3525 11.3525 11.4115 11.4115 11.5943 11.5943 11.7125 11.7125 11.8185 11.8185 11.9777 11.9777 12.0736 12.0736 k = 0.1591 0.0919-0.0000 ( 14515 PWs) bands (ev): -1.8104 -1.8104 -0.3342 -0.3342 -0.1116 -0.1116 -0.0963 -0.0963 0.6133 0.6133 0.6526 0.6526 0.9175 0.9175 1.1573 1.1573 4.8069 4.8069 5.0290 5.0290 5.2070 5.2070 5.2305 5.2305 5.2922 5.2922 6.0159 6.0159 6.1374 6.1374 6.2544 6.2544 6.3427 6.3427 6.4068 6.4068 6.5282 6.5282 6.6906 6.6906 6.8865 6.8865 6.9626 6.9626 6.9992 6.9992 7.0499 7.0499 8.2288 8.2288 8.2790 8.2790 8.4517 8.4517 8.5132 8.5132 8.6002 8.6002 8.6371 8.6371 8.7307 8.7307 8.8584 8.8584 8.9328 8.9328 9.0583 9.0583 9.0742 9.0742 9.1766 9.1766 9.4371 9.4371 10.2326 10.2326 10.9347 10.9347 11.0234 11.0234 11.1960 11.1960 11.3379 11.3379 11.3731 11.3731 11.6073 11.6073 11.6622 11.6622 11.8001 11.8001 11.9916 11.9916 12.0686 12.0686 k = 0.1818 0.1050-0.0000 ( 14515 PWs) bands (ev): -1.7939 -1.7939 -0.3687 -0.3687 -0.1189 -0.1189 -0.1042 -0.1042 0.6211 0.6211 0.6681 0.6681 0.9208 0.9208 1.1571 1.1571 4.8128 4.8128 4.9839 4.9839 5.2160 5.2160 5.2525 5.2525 5.3165 5.3165 6.0040 6.0040 6.1399 6.1399 6.2798 6.2798 6.3313 6.3313 6.3781 6.3781 6.5548 6.5548 6.7469 6.7469 6.8978 6.8978 6.9705 6.9705 7.0161 7.0161 7.0610 7.0610 8.1729 8.1729 8.2488 8.2488 8.4777 8.4777 8.4920 8.4920 8.5820 8.5820 8.6113 8.6113 8.6973 8.6973 8.8521 8.8521 8.9256 8.9256 9.0672 9.0672 9.0898 9.0898 9.2075 9.2075 9.4319 9.4319 10.2858 10.2858 10.8884 10.8884 10.9891 10.9891 11.1365 11.1365 11.3239 11.3239 11.3365 11.3365 11.6074 11.6074 11.6251 11.6251 11.7816 11.7816 11.9993 11.9993 12.0662 12.0662 k = 0.2045 0.1181-0.0000 ( 14525 PWs) bands (ev): -1.7756 -1.7756 -0.4062 -0.4062 -0.1256 -0.1256 -0.1124 -0.1124 0.6289 0.6289 0.6836 0.6836 0.9247 0.9247 1.1568 1.1568 4.8200 4.8200 4.9369 4.9369 5.2254 5.2254 5.2791 5.2791 5.3439 5.3439 5.9844 5.9844 6.1447 6.1447 6.2757 6.2757 6.3174 6.3174 6.3878 6.3878 6.5822 6.5822 6.8057 6.8057 6.9094 6.9094 6.9783 6.9783 7.0307 7.0307 7.0753 7.0753 8.1120 8.1120 8.2150 8.2150 8.4488 8.4488 8.5049 8.5049 8.5766 8.5766 8.5921 8.5921 8.6647 8.6647 8.8479 8.8479 8.9202 8.9202 9.0756 9.0756 9.1050 9.1050 9.2372 9.2372 9.4257 9.4257 10.3403 10.3403 10.8360 10.8360 10.9543 10.9543 11.0788 11.0788 11.3009 11.3009 11.3118 11.3118 11.5520 11.5520 11.6448 11.6448 11.7639 11.7639 12.0011 12.0011 12.0658 12.0658 k = 0.2273 0.1312-0.0000 ( 14511 PWs) bands (ev): -1.7556 -1.7556 -0.4459 -0.4459 -0.1317 -0.1317 -0.1208 -0.1208 0.6365 0.6365 0.6988 0.6988 0.9290 0.9290 1.1566 1.1566 4.8288 4.8288 4.8898 4.8898 5.2355 5.2355 5.3088 5.3088 5.3734 5.3734 5.9598 5.9598 6.1460 6.1460 6.2306 6.2306 6.3453 6.3453 6.4081 6.4081 6.6087 6.6087 6.8651 6.8651 6.9208 6.9208 6.9862 6.9862 7.0433 7.0433 7.0936 7.0936 8.0471 8.0471 8.1780 8.1780 8.4157 8.4157 8.4911 8.4911 8.5513 8.5513 8.6226 8.6226 8.6336 8.6336 8.8459 8.8459 8.9167 8.9167 9.0839 9.0839 9.1197 9.1197 9.2654 9.2654 9.4185 9.4185 10.3942 10.3942 10.7803 10.7803 10.9188 10.9188 11.0242 11.0242 11.2694 11.2694 11.2988 11.2988 11.4944 11.4944 11.6690 11.6690 11.7479 11.7479 11.9961 11.9961 12.0668 12.0668 k = 0.2500 0.1443-0.0000 ( 14515 PWs) bands (ev): -1.7341 -1.7341 -0.4871 -0.4871 -0.1373 -0.1373 -0.1291 -0.1291 0.6438 0.6438 0.7134 0.7134 0.9337 0.9337 1.1563 1.1563 4.8378 4.8378 4.8454 4.8454 5.2464 5.2464 5.3404 5.3404 5.4040 5.4040 5.9324 5.9324 6.1305 6.1305 6.2001 6.2001 6.3778 6.3778 6.4324 6.4324 6.6329 6.6329 6.9228 6.9228 6.9319 6.9319 6.9941 6.9941 7.0562 7.0562 7.1153 7.1153 7.9791 7.9791 8.1383 8.1383 8.3814 8.3814 8.4661 8.4661 8.5217 8.5217 8.6041 8.6041 8.6691 8.6691 8.8463 8.8463 8.9148 8.9148 9.0922 9.0922 9.1338 9.1338 9.2915 9.2915 9.4104 9.4104 10.4446 10.4446 10.7255 10.7255 10.8820 10.8820 10.9737 10.9737 11.2406 11.2406 11.2861 11.2861 11.4360 11.4360 11.6965 11.6965 11.7349 11.7349 11.9844 11.9844 12.0689 12.0689 k = 0.2727 0.1575-0.0000 ( 14521 PWs) bands (ev): -1.7114 -1.7114 -0.5290 -0.5290 -0.1426 -0.1426 -0.1372 -0.1372 0.6506 0.6506 0.7271 0.7271 0.9387 0.9387 1.1561 1.1561 4.7992 4.7992 4.8525 4.8525 5.2581 5.2581 5.3729 5.3729 5.4342 5.4342 5.9035 5.9035 6.0929 6.0929 6.1933 6.1933 6.4125 6.4125 6.4584 6.4584 6.6542 6.6542 6.9420 6.9420 6.9761 6.9761 7.0025 7.0025 7.0730 7.0730 7.1390 7.1390 7.9086 7.9086 8.0964 8.0964 8.3467 8.3467 8.4382 8.4382 8.4920 8.4920 8.5770 8.5770 8.7191 8.7191 8.8490 8.8490 8.9144 8.9144 9.1006 9.1006 9.1473 9.1473 9.3147 9.3147 9.4018 9.4018 10.4851 10.4851 10.6784 10.6784 10.8439 10.8439 10.9283 10.9283 11.2150 11.2150 11.2734 11.2734 11.3777 11.3777 11.7200 11.7200 11.7327 11.7327 11.9682 11.9682 12.0714 12.0715 k = 0.2955 0.1706-0.0000 ( 14535 PWs) bands (ev): -1.6879 -1.6879 -0.5710 -0.5710 -0.1473 -0.1473 -0.1449 -0.1449 0.6568 0.6568 0.7399 0.7399 0.9440 0.9440 1.1558 1.1558 4.7577 4.7577 4.8672 4.8672 5.2705 5.2705 5.4052 5.4052 5.4624 5.4624 5.8743 5.8743 6.0503 6.0503 6.1950 6.1950 6.4483 6.4483 6.4841 6.4841 6.6734 6.6734 6.9522 6.9522 7.0067 7.0067 7.0234 7.0234 7.0985 7.0985 7.1640 7.1640 7.8368 7.8368 8.0531 8.0531 8.3123 8.3123 8.4096 8.4096 8.4631 8.4631 8.5527 8.5527 8.7695 8.7695 8.8538 8.8538 8.9152 8.9152 9.1091 9.1091 9.1601 9.1601 9.3326 9.3326 9.3947 9.3947 10.5008 10.5008 10.6545 10.6545 10.8053 10.8053 10.8880 10.8880 11.1928 11.1928 11.2604 11.2604 11.3208 11.3208 11.7173 11.7173 11.7639 11.7639 11.9500 11.9500 12.0741 12.0749 k = 0.3182 0.1837-0.0000 ( 14535 PWs) bands (ev): -1.6638 -1.6638 -0.6123 -0.6123 -0.1522 -0.1522 -0.1517 -0.1517 0.6623 0.6623 0.7515 0.7515 0.9493 0.9493 1.1556 1.1556 4.7193 4.7193 4.8839 4.8839 5.2835 5.2835 5.4361 5.4361 5.4867 5.4867 5.8458 5.8458 6.0122 6.0122 6.1983 6.1983 6.4810 6.4810 6.5100 6.5100 6.6927 6.6927 6.9625 6.9625 7.0147 7.0147 7.0526 7.0526 7.1356 7.1356 7.1896 7.1896 7.7644 7.7644 8.0087 8.0087 8.2791 8.2791 8.3812 8.3812 8.4356 8.4356 8.5314 8.5314 8.8187 8.8187 8.8604 8.8604 8.9172 8.9172 9.1176 9.1176 9.1723 9.1723 9.3397 9.3397 9.3944 9.3944 10.4801 10.4801 10.6649 10.6649 10.7679 10.7679 10.8527 10.8527 11.1739 11.1739 11.2446 11.2446 11.2689 11.2689 11.7168 11.7168 11.8002 11.8002 11.9314 11.9314 12.0764 12.0788 k = 0.3409 0.1968-0.0000 ( 14515 PWs) bands (ev): -1.6397 -1.6397 -0.6523 -0.6523 -0.1588 -0.1588 -0.1556 -0.1556 0.6671 0.6671 0.7619 0.7619 0.9546 0.9546 1.1554 1.1554 4.6844 4.6844 4.9025 4.9025 5.2968 5.2968 5.4628 5.4628 5.5065 5.5065 5.8185 5.8185 5.9826 5.9826 6.2014 6.2014 6.5003 6.5003 6.5427 6.5427 6.7153 6.7153 6.9729 6.9729 7.0212 7.0212 7.0718 7.0718 7.1784 7.1784 7.2160 7.2160 7.6926 7.6926 7.9639 7.9639 8.2481 8.2481 8.3539 8.3539 8.4100 8.4100 8.5134 8.5134 8.8651 8.8651 8.8684 8.8684 8.9205 8.9205 9.1258 9.1258 9.1840 9.1840 9.3330 9.3330 9.4039 9.4039 10.4408 10.4408 10.6888 10.6888 10.7357 10.7357 10.8228 10.8228 11.1583 11.1583 11.2071 11.2071 11.2419 11.2419 11.7216 11.7216 11.8383 11.8383 11.9135 11.9135 12.0563 12.0600 k = 0.3636 0.2099-0.0000 ( 14519 PWs) bands (ev): -1.6162 -1.6162 -0.6899 -0.6899 -0.1648 -0.1648 -0.1591 -0.1591 0.6712 0.6712 0.7710 0.7710 0.9596 0.9596 1.1552 1.1552 4.6535 4.6535 4.9226 4.9226 5.3101 5.3101 5.4798 5.4798 5.5248 5.5248 5.7924 5.7924 5.9644 5.9644 6.2042 6.2042 6.5047 6.5047 6.5812 6.5812 6.7432 6.7432 6.9839 6.9839 7.0271 7.0271 7.0843 7.0843 7.2174 7.2174 7.2452 7.2452 7.6230 7.6230 7.9191 7.9191 8.2204 8.2204 8.3283 8.3283 8.3868 8.3868 8.4988 8.4988 8.8770 8.8770 8.9066 8.9066 8.9260 8.9260 9.1336 9.1336 9.1952 9.1952 9.3182 9.3182 9.4177 9.4177 10.3984 10.3984 10.6878 10.6878 10.7291 10.7291 10.8015 10.8015 11.1454 11.1454 11.1603 11.1603 11.2292 11.2292 11.7323 11.7323 11.8768 11.8768 11.8971 11.8971 12.0484 12.0501 k = 0.3864 0.2231-0.0000 ( 14517 PWs) bands (ev): -1.5939 -1.5939 -0.7245 -0.7245 -0.1700 -0.1700 -0.1621 -0.1621 0.6746 0.6746 0.7787 0.7787 0.9642 0.9642 1.1550 1.1550 4.6268 4.6268 4.9434 4.9434 5.3228 5.3228 5.4826 5.4826 5.5455 5.5455 5.7677 5.7677 5.9580 5.9580 6.2065 6.2065 6.4994 6.4994 6.6204 6.6204 6.7763 6.7763 6.9957 6.9957 7.0324 7.0324 7.0914 7.0914 7.2459 7.2459 7.2781 7.2781 7.5585 7.5585 7.8749 7.8749 8.1967 8.1967 8.3050 8.3050 8.3663 8.3663 8.4875 8.4875 8.8854 8.8854 8.9280 8.9280 8.9479 8.9479 9.1408 9.1408 9.2060 9.2060 9.2999 9.2999 9.4315 9.4315 10.3590 10.3590 10.6632 10.6632 10.7325 10.7325 10.7985 10.7985 11.1153 11.1153 11.1373 11.1373 11.2187 11.2187 11.7487 11.7487 11.8814 11.8814 11.9161 11.9161 12.0424 12.0449 k = 0.4091 0.2362-0.0000 ( 14531 PWs) bands (ev): -1.5737 -1.5737 -0.7549 -0.7549 -0.1743 -0.1743 -0.1646 -0.1646 0.6773 0.6773 0.7851 0.7851 0.9682 0.9682 1.1548 1.1548 4.6046 4.6046 4.9641 4.9641 5.3342 5.3342 5.4749 5.4749 5.5665 5.5665 5.7448 5.7448 5.9613 5.9613 6.2083 6.2083 6.4883 6.4883 6.6569 6.6569 6.8126 6.8126 7.0086 7.0086 7.0371 7.0371 7.0939 7.0939 7.2667 7.2667 7.3042 7.3042 7.5057 7.5057 7.8321 7.8321 8.1777 8.1777 8.2847 8.2847 8.3491 8.3491 8.4792 8.4792 8.8926 8.8926 8.9363 8.9363 8.9785 8.9785 9.1471 9.1471 9.2161 9.2161 9.2805 9.2805 9.4437 9.4437 10.3249 10.3249 10.6400 10.6400 10.7212 10.7212 10.8124 10.8124 11.0777 11.0777 11.1303 11.1303 11.2095 11.2095 11.7701 11.7701 11.8689 11.8689 11.9528 11.9528 12.0376 12.0377 k = 0.4318 0.2493-0.0000 ( 14528 PWs) bands (ev): -1.5565 -1.5565 -0.7802 -0.7802 -0.1777 -0.1777 -0.1665 -0.1665 0.6794 0.6794 0.7901 0.7901 0.9716 0.9716 1.1547 1.1547 4.5871 4.5871 4.9833 4.9833 5.3433 5.3433 5.4628 5.4628 5.5848 5.5848 5.7249 5.7249 5.9703 5.9703 6.2096 6.2096 6.4750 6.4750 6.6883 6.6883 6.8499 6.8499 7.0205 7.0205 7.0411 7.0411 7.0960 7.0960 7.2824 7.2824 7.3063 7.3063 7.4780 7.4780 7.7919 7.7919 8.1636 8.1636 8.2680 8.2680 8.3353 8.3353 8.4735 8.4735 8.8981 8.8981 8.9448 8.9448 9.0031 9.0031 9.1524 9.1524 9.2249 9.2249 9.2622 9.2622 9.4537 9.4537 10.2975 10.2975 10.6213 10.6213 10.7067 10.7067 10.8287 10.8287 11.0468 11.0468 11.1257 11.1257 11.2019 11.2019 11.7950 11.7950 11.8587 11.8587 11.9862 11.9862 12.0341 12.0341 k = 0.4545 0.2624-0.0000 ( 14536 PWs) bands (ev): -1.5432 -1.5432 -0.7993 -0.7993 -0.1802 -0.1802 -0.1679 -0.1679 0.6809 0.6809 0.7936 0.7936 0.9740 0.9740 1.1546 1.1546 4.5745 4.5745 4.9993 4.9993 5.3494 5.3494 5.4512 5.4512 5.5989 5.5989 5.7094 5.7094 5.9807 5.9807 6.2106 6.2106 6.4628 6.4628 6.7121 6.7121 6.8853 6.8853 7.0242 7.0242 7.0440 7.0440 7.1073 7.1073 7.2755 7.2755 7.2956 7.2956 7.4804 7.4804 7.7568 7.7568 8.1540 8.1540 8.2555 8.2555 8.3253 8.3253 8.4699 8.4699 8.9018 8.9018 8.9530 8.9530 9.0207 9.0207 9.1563 9.1563 9.2310 9.2310 9.2477 9.2477 9.4611 9.4611 10.2775 10.2775 10.6077 10.6077 10.6946 10.6946 10.8416 10.8416 11.0238 11.0238 11.1230 11.1230 11.1961 11.1961 11.8206 11.8206 11.8514 11.8514 12.0132 12.0132 12.0353 12.0389 k = 0.4773 0.2756-0.0000 ( 14512 PWs) bands (ev): -1.5349 -1.5349 -0.8111 -0.8111 -0.1817 -0.1817 -0.1688 -0.1688 0.6817 0.6817 0.7958 0.7958 0.9755 0.9755 1.1546 1.1546 4.5669 4.5669 5.0100 5.0100 5.3524 5.3524 5.4436 5.4436 5.6076 5.6076 5.6994 5.6994 5.9886 5.9886 6.2111 6.2111 6.4542 6.4542 6.7268 6.7268 6.9144 6.9144 7.0168 7.0168 7.0458 7.0458 7.1335 7.1335 7.2331 7.2331 7.3020 7.3020 7.4939 7.4939 7.7312 7.7312 8.1486 8.1486 8.2477 8.2477 8.3192 8.3192 8.4679 8.4679 8.9039 8.9039 8.9590 8.9590 9.0312 9.0312 9.1587 9.1587 9.2305 9.2305 9.2423 9.2423 9.4657 9.4657 10.2653 10.2653 10.5995 10.5995 10.6869 10.6869 10.8495 10.8495 11.0097 11.0097 11.1216 11.1216 11.1925 11.1925 11.8410 11.8410 11.8474 11.8474 12.0258 12.0272 12.0383 12.0467 k = 0.5000 0.2887-0.0000 ( 14502 PWs) bands (ev): -1.5320 -1.5320 -0.8152 -0.8152 -0.1822 -0.1822 -0.1691 -0.1691 0.6820 0.6820 0.7965 0.7965 0.9760 0.9760 1.1546 1.1546 4.5643 4.5643 5.0138 5.0138 5.3531 5.3531 5.4410 5.4410 5.6106 5.6106 5.6959 5.6959 5.9916 5.9916 6.2113 6.2113 6.4511 6.4511 6.7318 6.7318 6.9272 6.9272 7.0106 7.0106 7.0464 7.0464 7.1569 7.1569 7.2038 7.2038 7.3043 7.3043 7.5007 7.5007 7.7214 7.7214 8.1468 8.1468 8.2451 8.2451 8.3172 8.3172 8.4673 8.4673 8.9046 8.9046 8.9612 8.9612 9.0346 9.0346 9.1595 9.1595 9.2281 9.2281 9.2426 9.2426 9.4672 9.4672 10.2613 10.2613 10.5968 10.5968 10.6843 10.6843 10.8522 10.8522 11.0049 11.0049 11.1212 11.1212 11.1913 11.1913 11.8445 11.8445 11.8510 11.8510 12.0272 12.0272 12.0292 12.0295 k = 0.5000 0.2887-0.0000 ( 14502 PWs) bands (ev): -1.5320 -1.5320 -0.8152 -0.8152 -0.1822 -0.1822 -0.1691 -0.1691 0.6820 0.6820 0.7965 0.7965 0.9760 0.9760 1.1546 1.1546 4.5643 4.5643 5.0138 5.0138 5.3531 5.3531 5.4410 5.4410 5.6106 5.6106 5.6959 5.6959 5.9916 5.9916 6.2113 6.2113 6.4511 6.4511 6.7318 6.7318 6.9272 6.9272 7.0106 7.0106 7.0464 7.0464 7.1569 7.1569 7.2038 7.2038 7.3043 7.3043 7.5007 7.5007 7.7214 7.7214 8.1468 8.1468 8.2451 8.2451 8.3172 8.3172 8.4673 8.4673 8.9046 8.9046 8.9612 8.9612 9.0346 9.0346 9.1595 9.1595 9.2281 9.2281 9.2426 9.2426 9.4672 9.4672 10.2613 10.2613 10.5968 10.5968 10.6843 10.6843 10.8522 10.8522 11.0049 11.0049 11.1212 11.1212 11.1913 11.1913 11.8445 11.8445 11.8510 11.8510 12.0272 12.0272 12.0293 12.0299 k = 0.4872 0.3109-0.0000 ( 14528 PWs) bands (ev): -1.5314 -1.5314 -0.8142 -0.8142 -0.2110 -0.2110 -0.1429 -0.1429 0.6834 0.6834 0.7966 0.7966 0.9754 0.9754 1.1546 1.1546 4.5647 4.5647 5.0137 5.0137 5.3533 5.3533 5.4392 5.4392 5.6117 5.6117 5.6951 5.6951 5.9915 5.9915 6.2114 6.2114 6.4539 6.4539 6.7336 6.7336 6.9230 6.9230 7.0122 7.0122 7.0472 7.0472 7.1594 7.1594 7.2034 7.2034 7.3034 7.3034 7.5035 7.5035 7.7187 7.7187 8.1457 8.1457 8.2460 8.2460 8.3186 8.3186 8.4613 8.4613 8.8979 8.8979 8.9610 8.9610 9.0345 9.0345 9.1588 9.1588 9.2310 9.2310 9.2512 9.2512 9.4713 9.4713 10.2643 10.2643 10.5902 10.5902 10.6827 10.6827 10.8215 10.8215 11.0357 11.0357 11.1217 11.1217 11.1941 11.1941 11.8355 11.8355 11.8511 11.8511 12.0104 12.0105 12.0449 12.0468 k = 0.4744 0.3331-0.0000 ( 14532 PWs) bands (ev): -1.5296 -1.5296 -0.8111 -0.8111 -0.2475 -0.2475 -0.1139 -0.1139 0.6875 0.6875 0.7970 0.7970 0.9733 0.9733 1.1545 1.1545 4.5657 4.5657 5.0133 5.0133 5.3536 5.3536 5.4342 5.4342 5.6147 5.6147 5.6926 5.6926 5.9914 5.9914 6.2117 6.2117 6.4621 6.4621 6.7388 6.7388 6.9124 6.9124 7.0157 7.0157 7.0495 7.0495 7.1668 7.1668 7.2026 7.2026 7.3004 7.3004 7.5115 7.5115 7.7111 7.7111 8.1420 8.1420 8.2488 8.2488 8.3225 8.3225 8.4438 8.4438 8.8777 8.8777 8.9630 8.9630 9.0342 9.0342 9.1563 9.1563 9.2377 9.2377 9.2766 9.2766 9.4831 9.4831 10.2734 10.2734 10.5711 10.5711 10.6774 10.6774 10.7617 10.7617 11.0940 11.0940 11.1258 11.1258 11.2027 11.2027 11.8081 11.8081 11.8512 11.8512 11.9925 11.9925 12.0568 12.0577 k = 0.4615 0.3553-0.0000 ( 14536 PWs) bands (ev): -1.5267 -1.5267 -0.8061 -0.8061 -0.2861 -0.2861 -0.0878 -0.0878 0.6940 0.6940 0.7978 0.7978 0.9700 0.9700 1.1545 1.1545 4.5673 4.5673 5.0129 5.0129 5.3531 5.3531 5.4269 5.4269 5.6198 5.6198 5.6887 5.6887 5.9912 5.9912 6.2125 6.2125 6.4748 6.4748 6.7466 6.7466 6.8984 6.8984 7.0192 7.0192 7.0537 7.0537 7.1769 7.1769 7.2024 7.2024 7.2955 7.2955 7.5239 7.5239 7.6999 7.6999 8.1357 8.1357 8.2534 8.2534 8.3287 8.3287 8.4162 8.4162 8.8467 8.8467 8.9697 8.9697 9.0337 9.0337 9.1520 9.1520 9.2466 9.2466 9.3147 9.3147 9.5020 9.5020 10.2876 10.2876 10.5411 10.5411 10.6602 10.6602 10.7043 10.7043 11.1173 11.1173 11.1719 11.1719 11.2173 11.2173 11.7617 11.7617 11.8512 11.8512 11.9748 11.9748 12.0538 12.0543 k = 0.4487 0.3775-0.0000 ( 14542 PWs) bands (ev): -1.5227 -1.5227 -0.7990 -0.7990 -0.3260 -0.3260 -0.0647 -0.0647 0.7027 0.7027 0.7989 0.7989 0.9653 0.9653 1.1545 1.1545 4.5692 4.5692 5.0127 5.0127 5.3500 5.3500 5.4196 5.4196 5.6264 5.6264 5.6842 5.6842 5.9907 5.9907 6.2139 6.2139 6.4907 6.4907 6.7561 6.7561 6.8843 6.8843 7.0222 7.0222 7.0597 7.0597 7.1835 7.1835 7.2081 7.2081 7.2888 7.2888 7.5385 7.5385 7.6878 7.6878 8.1261 8.1261 8.2598 8.2598 8.3358 8.3358 8.3813 8.3813 8.8090 8.8090 8.9808 8.9808 9.0331 9.0331 9.1468 9.1468 9.2565 9.2565 9.3612 9.3612 9.5270 9.5270 10.3054 10.3054 10.5030 10.5030 10.6066 10.6066 10.6800 10.6800 11.1184 11.1184 11.2273 11.2273 11.2512 11.2512 11.6994 11.6994 11.8511 11.8511 11.9579 11.9579 12.0381 12.0383 k = 0.4359 0.3997-0.0000 ( 14542 PWs) bands (ev): -1.5178 -1.5178 -0.7900 -0.7900 -0.3669 -0.3669 -0.0448 -0.0448 0.7129 0.7129 0.8008 0.8008 0.9594 0.9594 1.1544 1.1544 4.5714 4.5714 5.0133 5.0133 5.3416 5.3416 5.4154 5.4154 5.6321 5.6321 5.6815 5.6815 5.9899 5.9899 6.2159 6.2159 6.5084 6.5084 6.7658 6.7658 6.8727 6.8727 7.0250 7.0250 7.0676 7.0676 7.1815 7.1815 7.2229 7.2229 7.2804 7.2804 7.5515 7.5515 7.6795 7.6795 8.1127 8.1127 8.2679 8.2679 8.3298 8.3298 8.3549 8.3549 8.7678 8.7678 8.9953 8.9953 9.0324 9.0324 9.1416 9.1416 9.2660 9.2660 9.4135 9.4135 9.5575 9.5575 10.3218 10.3218 10.4617 10.4617 10.5389 10.5389 10.6697 10.6697 11.1174 11.1174 11.2531 11.2531 11.3204 11.3204 11.6267 11.6267 11.8507 11.8507 11.9422 11.9422 12.0174 12.0175 k = 0.4231 0.4219-0.0000 ( 14548 PWs) bands (ev): -1.5121 -1.5121 -0.7791 -0.7791 -0.4080 -0.4080 -0.0279 -0.0279 0.7240 0.7240 0.8036 0.8036 0.9524 0.9524 1.1544 1.1544 4.5736 4.5736 5.0153 5.0153 5.3263 5.3263 5.4163 5.4163 5.6323 5.6323 5.6855 5.6855 5.9884 5.9884 6.2185 6.2185 6.5261 6.5261 6.7738 6.7738 6.8664 6.8664 7.0286 7.0286 7.0771 7.0771 7.1753 7.1753 7.2410 7.2410 7.2707 7.2707 7.5574 7.5574 7.6817 7.6817 8.0952 8.0952 8.2771 8.2771 8.2883 8.2883 8.3620 8.3620 8.7248 8.7248 9.0122 9.0122 9.0318 9.0318 9.1375 9.1375 9.2736 9.2736 9.4700 9.4700 9.5925 9.5925 10.3234 10.3234 10.4242 10.4242 10.4780 10.4780 10.6611 10.6611 11.1151 11.1151 11.2784 11.2784 11.3930 11.3930 11.5493 11.5493 11.8502 11.8502 11.9281 11.9281 11.9929 11.9930 k = 0.4103 0.4441-0.0000 ( 14550 PWs) bands (ev): -1.5060 -1.5060 -0.7663 -0.7663 -0.4489 -0.4489 -0.0140 -0.0140 0.7349 0.7349 0.8079 0.8079 0.9441 0.9441 1.1543 1.1543 4.5754 4.5754 5.0196 5.0196 5.3051 5.3051 5.4220 5.4220 5.6245 5.6245 5.6987 5.6987 5.9857 5.9857 6.2214 6.2214 6.5421 6.5421 6.7790 6.7790 6.8673 6.8673 7.0332 7.0332 7.0881 7.0881 7.1669 7.1669 7.2545 7.2545 7.2638 7.2638 7.5538 7.5538 7.6983 7.6983 8.0735 8.0735 8.2384 8.2384 8.2900 8.2900 8.3739 8.3739 8.6812 8.6812 9.0296 9.0296 9.0316 9.0316 9.1356 9.1356 9.2786 9.2786 9.5298 9.5298 9.6317 9.6317 10.2930 10.2930 10.3732 10.3732 10.4605 10.4605 10.6533 10.6533 11.1118 11.1118 11.3045 11.3045 11.4634 11.4634 11.4736 11.4736 11.8496 11.8496 11.9157 11.9157 11.9667 11.9667 k = 0.3974 0.4663-0.0000 ( 14542 PWs) bands (ev): -1.4996 -1.4996 -0.7516 -0.7516 -0.4889 -0.4889 -0.0029 -0.0029 0.7447 0.7447 0.8143 0.8143 0.9348 0.9348 1.1542 1.1542 4.5767 4.5767 5.0268 5.0268 5.2796 5.2796 5.4314 5.4314 5.6112 5.6112 5.7181 5.7181 5.9812 5.9812 6.2245 6.2245 6.5553 6.5553 6.7819 6.7819 6.8756 6.8756 7.0384 7.0384 7.1001 7.1001 7.1577 7.1577 7.2451 7.2451 7.2753 7.2753 7.5457 7.5457 7.7266 7.7266 8.0480 8.0480 8.1884 8.1884 8.3034 8.3034 8.3872 8.3872 8.6376 8.6376 9.0310 9.0310 9.0462 9.0462 9.1377 9.1377 9.2802 9.2802 9.5924 9.5924 9.6745 9.6745 10.2413 10.2413 10.3047 10.3047 10.4802 10.4802 10.6468 10.6468 11.1077 11.1077 11.3275 11.3275 11.4015 11.4015 11.5352 11.5352 11.8495 11.8495 11.9052 11.9052 11.9405 11.9405 k = 0.3846 0.4885-0.0000 ( 14560 PWs) bands (ev): -1.4933 -1.4933 -0.7352 -0.7352 -0.5275 -0.5275 0.0057 0.0057 0.7523 0.7523 0.8233 0.8233 0.9246 0.9246 1.1542 1.1542 4.5773 4.5773 5.0378 5.0378 5.2513 5.2513 5.4436 5.4436 5.5948 5.5948 5.7409 5.7409 5.9745 5.9745 6.2274 6.2274 6.5651 6.5651 6.7841 6.7841 6.8898 6.8898 7.0424 7.0424 7.1126 7.1126 7.1501 7.1501 7.2317 7.2317 7.2838 7.2838 7.5391 7.5391 7.7622 7.7622 8.0198 8.0198 8.1385 8.1385 8.3182 8.3182 8.4011 8.4011 8.5949 8.5949 9.0310 9.0310 9.0586 9.0586 9.1453 9.1453 9.2780 9.2780 9.6573 9.6573 9.7205 9.7205 10.1818 10.1818 10.2329 10.2329 10.5085 10.5085 10.6424 10.6424 11.1027 11.1027 11.3127 11.3127 11.3745 11.3745 11.6009 11.6009 11.8514 11.8514 11.8964 11.8964 11.9171 11.9171 k = 0.3718 0.5107-0.0000 ( 14576 PWs) bands (ev): -1.4876 -1.4876 -0.7171 -0.7171 -0.5639 -0.5639 0.0120 0.0120 0.7575 0.7575 0.8346 0.8346 0.9134 0.9134 1.1541 1.1541 4.5772 4.5772 5.0531 5.0531 5.2212 5.2212 5.4581 5.4581 5.5764 5.5764 5.7649 5.7649 5.9656 5.9656 6.2299 6.2299 6.5716 6.5716 6.7865 6.7865 6.9085 6.9085 7.0412 7.0412 7.1247 7.1247 7.1480 7.1480 7.2171 7.2171 7.2850 7.2850 7.5379 7.5379 7.8025 7.8025 7.9908 7.9908 8.0898 8.0898 8.3343 8.3343 8.4151 8.4151 8.5539 8.5539 9.0311 9.0311 9.0660 9.0660 9.1589 9.1589 9.2720 9.2720 9.7241 9.7241 9.7694 9.7694 10.1197 10.1197 10.1610 10.1610 10.5349 10.5349 10.6414 10.6414 11.0969 11.0969 11.2607 11.2607 11.3920 11.3920 11.6585 11.6585 11.8583 11.8583 11.8883 11.8883 11.9004 11.9004 k = 0.3590 0.5329-0.0000 ( 14566 PWs) bands (ev): -1.4829 -1.4829 -0.6974 -0.6974 -0.5974 -0.5974 0.0162 0.0162 0.7607 0.7607 0.8476 0.8476 0.9014 0.9014 1.1541 1.1541 4.5766 4.5766 5.0731 5.0731 5.1901 5.1901 5.4746 5.4746 5.5568 5.5568 5.7876 5.7876 5.9553 5.9553 6.2318 6.2318 6.5756 6.5756 6.7890 6.7890 6.9303 6.9303 7.0316 7.0316 7.1368 7.1368 7.1534 7.1534 7.2016 7.2016 7.2795 7.2795 7.5418 7.5418 7.8456 7.8456 7.9637 7.9637 8.0432 8.0432 8.3506 8.3506 8.4285 8.4285 8.5161 8.5161 9.0314 9.0314 9.0694 9.0694 9.1763 9.1763 9.2624 9.2624 9.7920 9.7920 9.8203 9.8203 10.0573 10.0573 10.0904 10.0904 10.5539 10.5539 10.6447 10.6447 11.0903 11.0903 11.2178 11.2178 11.4095 11.4095 11.7013 11.7013 11.8727 11.8727 11.8809 11.8809 11.8962 11.8962 k = 0.3462 0.5551-0.0000 ( 14554 PWs) bands (ev): -1.4796 -1.4796 -0.6761 -0.6761 -0.6274 -0.6274 0.0185 0.0185 0.7623 0.7623 0.8614 0.8614 0.8887 0.8887 1.1541 1.1541 4.5759 4.5759 5.0978 5.0978 5.1585 5.1585 5.4926 5.4926 5.5368 5.5368 5.8053 5.8053 5.9459 5.9459 6.2330 6.2330 6.5777 6.5777 6.7911 6.7911 6.9535 6.9535 7.0145 7.0145 7.1509 7.1509 7.1619 7.1619 7.1851 7.1851 7.2713 7.2713 7.5477 7.5477 7.8893 7.8893 7.9415 7.9415 8.0009 8.0009 8.3654 8.3654 8.4396 8.4396 8.4853 8.4853 9.0318 9.0318 9.0706 9.0706 9.1940 9.1940 9.2505 9.2505 9.8597 9.8597 9.8712 9.8712 9.9952 9.9952 10.0252 10.0252 10.5636 10.5636 10.6502 10.6502 11.0842 11.0842 11.1915 11.1915 11.4208 11.4208 11.7239 11.7239 11.8772 11.8772 11.8829 11.8829 11.9017 11.9018 k = 0.3333 0.5774-0.0000 ( 14556 PWs) bands (ev): -1.4784 -1.4784 -0.6553 -0.6553 -0.6513 -0.6513 0.0193 0.0193 0.7627 0.7627 0.8736 0.8736 0.8769 0.8769 1.1541 1.1541 4.5755 4.5755 5.1267 5.1267 5.1273 5.1273 5.5069 5.5069 5.5217 5.5217 5.8123 5.8123 5.9418 5.9418 6.2333 6.2333 6.5783 6.5783 6.7920 6.7920 6.9689 6.9689 7.0008 7.0008 7.1659 7.1659 7.1662 7.1662 7.1692 7.1692 7.2670 7.2670 7.5505 7.5505 7.9237 7.9237 7.9239 7.9239 7.9765 7.9765 8.3726 8.3726 8.4432 8.4432 8.4727 8.4727 9.0320 9.0320 9.0708 9.0708 9.2038 9.2038 9.2429 9.2429 9.8994 9.8994 9.9197 9.9197 9.9408 9.9408 9.9884 9.9884 10.5662 10.5662 10.6529 10.6529 11.0816 11.0816 11.1829 11.1829 11.4246 11.4246 11.7298 11.7298 11.8786 11.8786 11.8868 11.8868 11.8927 11.8927 k = 0.3333 0.5774-0.0000 ( 14556 PWs) bands (ev): -1.4784 -1.4784 -0.6553 -0.6553 -0.6513 -0.6513 0.0193 0.0193 0.7627 0.7627 0.8736 0.8736 0.8769 0.8769 1.1541 1.1541 4.5755 4.5755 5.1267 5.1267 5.1273 5.1273 5.5069 5.5069 5.5217 5.5217 5.8123 5.8123 5.9418 5.9418 6.2333 6.2333 6.5783 6.5783 6.7920 6.7920 6.9689 6.9689 7.0008 7.0008 7.1659 7.1659 7.1662 7.1662 7.1692 7.1692 7.2670 7.2670 7.5505 7.5505 7.9237 7.9237 7.9239 7.9239 7.9765 7.9765 8.3726 8.3726 8.4432 8.4432 8.4727 8.4727 9.0320 9.0320 9.0708 9.0708 9.2038 9.2038 9.2429 9.2429 9.8994 9.8994 9.9197 9.9197 9.9408 9.9408 9.9884 9.9884 10.5662 10.5662 10.6529 10.6529 11.0816 11.0816 11.1829 11.1829 11.4246 11.4246 11.7298 11.7298 11.8786 11.8786 11.8868 11.8868 11.8927 11.8927 k = 0.3200 0.5543-0.0000 ( 14558 PWs) bands (ev): -1.4799 -1.4799 -0.6750 -0.6750 -0.6282 -0.6282 0.0186 0.0186 0.7623 0.7623 0.8607 0.8607 0.8892 0.8892 1.1541 1.1541 4.5761 4.5761 5.0947 5.0947 5.1617 5.1617 5.4909 5.4909 5.5386 5.5386 5.8042 5.8042 5.9464 5.9464 6.2329 6.2329 6.5777 6.5777 6.7906 6.7906 6.9511 6.9511 7.0169 7.0169 7.1476 7.1476 7.1645 7.1645 7.1845 7.1845 7.2729 7.2729 7.5465 7.5465 7.8939 7.8939 7.9339 7.9339 8.0052 8.0052 8.3629 8.3629 8.4479 8.4479 8.4797 8.4797 9.0316 9.0316 9.0707 9.0707 9.1919 9.1919 9.2523 9.2523 9.8567 9.8567 9.8701 9.8701 9.9971 9.9971 10.0276 10.0276 10.5640 10.5640 10.6501 10.6501 11.0844 11.0844 11.1918 11.1918 11.4210 11.4210 11.7257 11.7257 11.8726 11.8726 11.8819 11.8819 11.9012 11.9017 k = 0.3067 0.5312-0.0000 ( 14566 PWs) bands (ev): -1.4846 -1.4846 -0.6906 -0.6906 -0.6018 -0.6018 0.0165 0.0165 0.7613 0.7613 0.8459 0.8459 0.9018 0.9018 1.1541 1.1541 4.5783 4.5783 5.0634 5.0634 5.2002 5.2002 5.4694 5.4694 5.5628 5.5628 5.7824 5.7824 5.9571 5.9571 6.2317 6.2317 6.5762 6.5762 6.7850 6.7850 6.9228 6.9228 7.0384 7.0384 7.1296 7.1296 7.1567 7.1567 7.2001 7.2001 7.2890 7.2890 7.5346 7.5346 7.8565 7.8565 7.9500 7.9500 8.0536 8.0536 8.3413 8.3413 8.4636 8.4636 8.4919 8.4919 9.0303 9.0303 9.0707 9.0707 9.1670 9.1670 9.2696 9.2696 9.7867 9.7867 9.8181 9.8181 10.0605 10.0605 10.0954 10.0954 10.5578 10.5578 10.6443 10.6443 11.0911 11.0911 11.2180 11.2180 11.4117 11.4117 11.7164 11.7164 11.8355 11.8355 11.8669 11.8669 11.8948 11.8948 k = 0.2933 0.5081-0.0000 ( 14562 PWs) bands (ev): -1.4928 -1.4928 -0.6999 -0.6999 -0.5742 -0.5742 0.0133 0.0133 0.7597 0.7597 0.8306 0.8306 0.9131 0.9131 1.1542 1.1542 4.5827 4.5827 5.0333 5.0333 5.2415 5.2415 5.4479 5.4479 5.5889 5.5889 5.7520 5.7520 5.9681 5.9681 6.2297 6.2297 6.5741 6.5741 6.7734 6.7734 6.8955 6.8955 7.0456 7.0456 7.1187 7.1187 7.1516 7.1516 7.2130 7.2130 7.3101 7.3101 7.5182 7.5182 7.8210 7.8210 7.9782 7.9782 8.1046 8.1046 8.3186 8.3186 8.4829 8.4829 8.5065 8.5065 9.0272 9.0272 9.0709 9.0709 9.1368 9.1368 9.2876 9.2876 9.7166 9.7166 9.7670 9.7670 10.1244 10.1244 10.1674 10.1674 10.5480 10.5480 10.6408 10.6408 11.0990 11.0990 11.2591 11.2591 11.3994 11.3994 11.7047 11.7047 11.7699 11.7699 11.8575 11.8575 11.9005 11.9005 k = 0.2800 0.4850-0.0000 ( 14552 PWs) bands (ev): -1.5047 -1.5047 -0.7027 -0.7027 -0.5456 -0.5456 0.0091 0.0091 0.7576 0.7576 0.8150 0.8150 0.9227 0.9227 1.1543 1.1543 4.5898 4.5898 5.0048 5.0048 5.2844 5.2844 5.4272 5.4272 5.6159 5.6159 5.7172 5.7172 5.9755 5.9755 6.2271 6.2271 6.5718 6.5718 6.7540 6.7540 6.8729 6.8729 7.0319 7.0319 7.1106 7.1106 7.1592 7.1592 7.2224 7.2224 7.3306 7.3306 7.5036 7.5036 7.7908 7.7908 8.0157 8.0157 8.1556 8.1556 8.2992 8.2992 8.4999 8.4999 8.5257 8.5257 9.0217 9.0217 9.0711 9.0711 9.1036 9.1036 9.3045 9.3045 9.6482 9.6482 9.7184 9.7184 10.1888 10.1888 10.2388 10.2388 10.5370 10.5370 10.6423 10.6423 11.1074 11.1074 11.3097 11.3097 11.3878 11.3878 11.6922 11.6922 11.7017 11.7017 11.8496 11.8496 11.9095 11.9095 k = 0.2667 0.4619-0.0000 ( 14530 PWs) bands (ev): -1.5200 -1.5200 -0.6990 -0.6990 -0.5161 -0.5161 0.0040 0.0040 0.7550 0.7550 0.7993 0.7993 0.9306 0.9306 1.1544 1.1544 4.6001 4.6001 4.9780 4.9780 5.3261 5.3261 5.4091 5.4091 5.6394 5.6394 5.6843 5.6843 5.9777 5.9777 6.2238 6.2238 6.5691 6.5691 6.7273 6.7273 6.8560 6.8560 7.0076 7.0076 7.0986 7.0986 7.1721 7.1721 7.2278 7.2278 7.3459 7.3459 7.4988 7.4988 7.7693 7.7693 8.0595 8.0595 8.2055 8.2055 8.2851 8.2851 8.5129 8.5129 8.5498 8.5498 9.0128 9.0128 9.0639 9.0639 9.0760 9.0760 9.3201 9.3201 9.5826 9.5826 9.6726 9.6726 10.2532 10.2532 10.3075 10.3075 10.5286 10.5286 10.6493 10.6493 11.1165 11.1165 11.3491 11.3491 11.3956 11.3956 11.6335 11.6335 11.6812 11.6812 11.8422 11.8422 11.9207 11.9207 k = 0.2533 0.4388-0.0000 ( 14524 PWs) bands (ev): -1.5384 -1.5384 -0.6894 -0.6894 -0.4859 -0.4859 -0.0017 -0.0017 0.7520 0.7520 0.7835 0.7835 0.9367 0.9367 1.1545 1.1545 4.6137 4.6137 4.9532 4.9532 5.3558 5.3558 5.4027 5.4027 5.6265 5.6265 5.6874 5.6874 5.9746 5.9746 6.2202 6.2202 6.5654 6.5654 6.6954 6.6954 6.8442 6.8442 6.9798 6.9798 7.0847 7.0847 7.1758 7.1758 7.2286 7.2286 7.3526 7.3526 7.5098 7.5098 7.7600 7.7600 8.1072 8.1072 8.2535 8.2535 8.2773 8.2773 8.5237 8.5237 8.5768 8.5768 8.9995 8.9995 9.0296 9.0296 9.0747 9.0747 9.3342 9.3342 9.5205 9.5205 9.6293 9.6293 10.3163 10.3163 10.3715 10.3715 10.5271 10.5271 10.6614 10.6614 11.1267 11.1267 11.3468 11.3468 11.4515 11.4515 11.5689 11.5689 11.6716 11.6716 11.8344 11.8344 11.9338 11.9338 k = 0.2400 0.4157-0.0000 ( 14520 PWs) bands (ev): -1.5594 -1.5594 -0.6742 -0.6742 -0.4552 -0.4552 -0.0079 -0.0079 0.7484 0.7484 0.7678 0.7678 0.9410 0.9410 1.1547 1.1547 4.6311 4.6311 4.9304 4.9304 5.3527 5.3527 5.4267 5.4267 5.5885 5.5885 5.7162 5.7162 5.9683 5.9683 6.2161 6.2161 6.5591 6.5591 6.6611 6.6611 6.8362 6.8362 6.9512 6.9512 7.0700 7.0700 7.1651 7.1651 7.2250 7.2250 7.3487 7.3487 7.5381 7.5381 7.7660 7.7660 8.1571 8.1571 8.2756 8.2756 8.2995 8.2995 8.5334 8.5334 8.6051 8.6051 8.9806 8.9806 8.9935 8.9935 9.0757 9.0757 9.3467 9.3467 9.4630 9.4630 9.5882 9.5882 10.3752 10.3752 10.4295 10.4295 10.5362 10.5362 10.6780 10.6780 11.1383 11.1383 11.3366 11.3366 11.5093 11.5093 11.5206 11.5206 11.6646 11.6646 11.8254 11.8254 11.9485 11.9485 k = 0.2267 0.3926-0.0000 ( 14534 PWs) bands (ev): -1.5824 -1.5824 -0.6541 -0.6541 -0.4241 -0.4241 -0.0145 -0.0145 0.7439 0.7439 0.7524 0.7524 0.9435 0.9435 1.1548 1.1548 4.6523 4.6523 4.9098 4.9098 5.3371 5.3371 5.4574 5.4574 5.5488 5.5488 5.7480 5.7480 5.9625 5.9625 6.2117 6.2117 6.5482 6.5482 6.6264 6.6264 6.8305 6.8305 6.9236 6.9236 7.0549 7.0549 7.1430 7.1430 7.2171 7.2171 7.3319 7.3319 7.5816 7.5816 7.7874 7.7874 8.2077 8.2077 8.2818 8.2818 8.3419 8.3419 8.5428 8.5428 8.6341 8.6341 8.9534 8.9534 8.9605 8.9605 9.0771 9.0771 9.3564 9.3564 9.4122 9.4122 9.5488 9.5488 10.4235 10.4235 10.4846 10.4846 10.5577 10.5577 10.6988 10.6988 11.1511 11.1511 11.3269 11.3269 11.4596 11.4596 11.5909 11.5909 11.6608 11.6608 11.8146 11.8146 11.9647 11.9647 k = 0.2133 0.3695-0.0000 ( 14530 PWs) bands (ev): -1.6067 -1.6067 -0.6298 -0.6298 -0.3929 -0.3929 -0.0213 -0.0213 0.7352 0.7352 0.7409 0.7409 0.9444 0.9444 1.1550 1.1550 4.6773 4.6773 4.8913 4.8913 5.3199 5.3199 5.4748 5.4748 5.5156 5.5156 5.7797 5.7797 5.9625 5.9625 6.2069 6.2069 6.5311 6.5311 6.5928 6.5928 6.8230 6.8230 6.9007 6.9007 7.0390 7.0390 7.1153 7.1153 7.2052 7.2052 7.3029 7.3029 7.6363 7.6363 7.8216 7.8216 8.2568 8.2568 8.2961 8.2961 8.3808 8.3808 8.5520 8.5520 8.6634 8.6634 8.9196 8.9196 8.9298 8.9298 9.0783 9.0783 9.3505 9.3505 9.3814 9.3814 9.5107 9.5107 10.4568 10.4568 10.5430 10.5430 10.5867 10.5867 10.7238 10.7238 11.1653 11.1653 11.3192 11.3192 11.4213 11.4213 11.6569 11.6569 11.6649 11.6649 11.8016 11.8016 11.9820 11.9820 k = 0.2000 0.3464-0.0000 ( 14548 PWs) bands (ev): -1.6317 -1.6317 -0.6020 -0.6020 -0.3618 -0.3618 -0.0283 -0.0283 0.7206 0.7206 0.7346 0.7346 0.9439 0.9439 1.1553 1.1553 4.7061 4.7061 4.8750 4.8750 5.3029 5.3029 5.4546 5.4546 5.5089 5.5089 5.8102 5.8102 5.9737 5.9737 6.2016 6.2016 6.5076 6.5076 6.5610 6.5610 6.8066 6.8066 6.8884 6.8884 7.0219 7.0219 7.0869 7.0869 7.1899 7.1899 7.2648 7.2648 7.6985 7.6985 7.8651 7.8651 8.2976 8.2976 8.3237 8.3237 8.4160 8.4160 8.5613 8.5613 8.6926 8.6926 8.8836 8.8836 8.8987 8.8987 9.0794 9.0794 9.3153 9.3153 9.3845 9.3845 9.4736 9.4736 10.4785 10.4785 10.6043 10.6043 10.6166 10.6166 10.7528 10.7528 11.1808 11.1808 11.3139 11.3139 11.3979 11.3979 11.6632 11.6632 11.7270 11.7270 11.7893 11.7893 12.0001 12.0001 k = 0.1867 0.3233-0.0000 ( 14536 PWs) bands (ev): -1.6570 -1.6570 -0.5714 -0.5714 -0.3309 -0.3309 -0.0353 -0.0353 0.7058 0.7058 0.7280 0.7280 0.9422 0.9422 1.1555 1.1555 4.7387 4.7387 4.8608 4.8608 5.2865 5.2865 5.4185 5.4185 5.5055 5.5055 5.8393 5.8393 5.9988 5.9988 6.1959 6.1959 6.4792 6.4792 6.5306 6.5306 6.7787 6.7787 6.8874 6.8874 7.0029 7.0029 7.0610 7.0610 7.1718 7.1718 7.2208 7.2208 7.7651 7.7651 7.9145 7.9145 8.3274 8.3274 8.3653 8.3653 8.4483 8.4483 8.5705 8.5705 8.7216 8.7216 8.8426 8.8426 8.8719 8.8719 9.0802 9.0802 9.2793 9.2793 9.3924 9.3924 9.4371 9.4371 10.4899 10.4899 10.6438 10.6438 10.6680 10.6680 10.7859 10.7859 11.1975 11.1975 11.3118 11.3118 11.3911 11.3911 11.6703 11.6703 11.7517 11.7517 11.8114 11.8114 12.0186 12.0186 k = 0.1733 0.3002-0.0000 ( 14532 PWs) bands (ev): -1.6821 -1.6821 -0.5386 -0.5386 -0.3006 -0.3006 -0.0421 -0.0421 0.6914 0.6914 0.7205 0.7205 0.9395 0.9395 1.1558 1.1558 4.7746 4.7746 4.8487 4.8487 5.2709 5.2709 5.3821 5.3821 5.4910 5.4910 5.8682 5.8682 6.0363 6.0363 6.1898 6.1898 6.4485 6.4485 6.5008 6.5008 6.7438 6.7438 6.8904 6.8904 6.9820 6.9820 7.0393 7.0393 7.1514 7.1514 7.1749 7.1749 7.8342 7.8342 7.9675 7.9675 8.3570 8.3570 8.4066 8.4066 8.4796 8.4796 8.5788 8.5788 8.7499 8.7499 8.7977 8.7977 8.8515 8.8515 9.0804 9.0804 9.2465 9.2465 9.4002 9.4002 9.4010 9.4010 10.4871 10.4871 10.6750 10.6750 10.7287 10.7287 10.8241 10.8241 11.2155 11.2155 11.3125 11.3125 11.4013 11.4013 11.6807 11.6807 11.7346 11.7346 11.8688 11.8688 12.0365 12.0366 k = 0.1600 0.2771-0.0000 ( 14526 PWs) bands (ev): -1.7065 -1.7065 -0.5043 -0.5043 -0.2710 -0.2710 -0.0487 -0.0487 0.6774 0.6774 0.7117 0.7117 0.9362 0.9362 1.1560 1.1560 4.8137 4.8137 4.8384 4.8384 5.2558 5.2558 5.3477 5.3477 5.4670 5.4670 5.8976 5.8976 6.0819 6.0819 6.1836 6.1836 6.4172 6.4172 6.4714 6.4714 6.7059 6.7059 6.8890 6.8890 6.9609 6.9609 7.0218 7.0218 7.1250 7.1250 7.1354 7.1354 7.9042 7.9042 8.0220 8.0220 8.3893 8.3893 8.4404 8.4404 8.5135 8.5135 8.5849 8.5849 8.7516 8.7516 8.7774 8.7774 8.8380 8.8380 9.0800 9.0800 9.2166 9.2166 9.3649 9.3649 9.4078 9.4078 10.4681 10.4681 10.7122 10.7122 10.7857 10.7857 10.8691 10.8691 11.2348 11.2348 11.3153 11.3153 11.4266 11.4266 11.6939 11.6939 11.7128 11.7128 11.9250 11.9250 12.0489 12.0528 k = 0.1467 0.2540-0.0000 ( 14528 PWs) bands (ev): -1.7299 -1.7299 -0.4690 -0.4690 -0.2425 -0.2425 -0.0548 -0.0548 0.6640 0.6640 0.7018 0.7018 0.9324 0.9324 1.1563 1.1563 4.8293 4.8293 4.8560 4.8560 5.2414 5.2414 5.3162 5.3162 5.4367 5.4367 5.9271 5.9271 6.1289 6.1289 6.1806 6.1806 6.3866 6.3866 6.4433 6.4433 6.6670 6.6670 6.8746 6.8746 6.9435 6.9435 7.0074 7.0074 7.0881 7.0881 7.1120 7.1120 7.9737 7.9737 8.0764 8.0764 8.4241 8.4241 8.4647 8.4647 8.5513 8.5513 8.5858 8.5858 8.7099 8.7099 8.8023 8.8023 8.8328 8.8328 9.0787 9.0787 9.1886 9.1886 9.3290 9.3290 9.4147 9.4147 10.4347 10.4347 10.7556 10.7556 10.8373 10.8373 10.9221 10.9221 11.2557 11.2557 11.3198 11.3198 11.4637 11.4637 11.6877 11.6877 11.7123 11.7123 11.9758 11.9758 12.0419 12.0420 k = 0.1333 0.2309-0.0000 ( 14530 PWs) bands (ev): -1.7521 -1.7521 -0.4336 -0.4336 -0.2151 -0.2151 -0.0603 -0.0603 0.6512 0.6512 0.6906 0.6906 0.9285 0.9285 1.1565 1.1565 4.8220 4.8220 4.9000 4.9000 5.2273 5.2273 5.2883 5.2883 5.4033 5.4033 5.9555 5.9555 6.1517 6.1517 6.2033 6.2033 6.3577 6.3577 6.4179 6.4179 6.6285 6.6285 6.8432 6.8432 6.9302 6.9302 6.9955 6.9955 7.0577 7.0577 7.0920 7.0920 8.0415 8.0415 8.1292 8.1292 8.4604 8.4604 8.4822 8.4822 8.5694 8.5694 8.5972 8.5972 8.6800 8.6800 8.8192 8.8192 8.8408 8.8408 9.0763 9.0763 9.1622 9.1622 9.2930 9.2930 9.4212 9.4212 10.3913 10.3913 10.8027 10.8027 10.8843 10.8843 10.9816 10.9816 11.2782 11.2782 11.3264 11.3264 11.5086 11.5086 11.6655 11.6655 11.7307 11.7307 12.0175 12.0181 12.0452 12.0454 k = 0.1200 0.2078-0.0000 ( 14524 PWs) bands (ev): -1.7727 -1.7727 -0.3985 -0.3985 -0.1893 -0.1893 -0.0651 -0.0651 0.6392 0.6392 0.6783 0.6783 0.9246 0.9246 1.1568 1.1568 4.8158 4.8158 4.9455 4.9455 5.2135 5.2135 5.2645 5.2645 5.3694 5.3694 5.9812 5.9812 6.1479 6.1479 6.2484 6.2484 6.3336 6.3336 6.3979 6.3979 6.5914 6.5914 6.7992 6.7992 6.9173 6.9173 6.9854 6.9854 7.0350 7.0350 7.0747 7.0747 8.1067 8.1067 8.1789 8.1789 8.4934 8.4934 8.4995 8.4995 8.5433 8.5433 8.6378 8.6378 8.6677 8.6677 8.8274 8.8274 8.8613 8.8613 9.0727 9.0727 9.1370 9.1370 9.2570 9.2570 9.4270 9.4270 10.3418 10.3418 10.8505 10.8505 10.9288 10.9288 11.0451 11.0451 11.3022 11.3022 11.3359 11.3359 11.5580 11.5580 11.6446 11.6446 11.7511 11.7511 12.0328 12.0329 12.0373 12.0373 k = 0.1067 0.1848-0.0000 ( 14530 PWs) bands (ev): -1.7916 -1.7916 -0.3646 -0.3646 -0.1653 -0.1653 -0.0690 -0.0690 0.6280 0.6280 0.6651 0.6651 0.9210 0.9210 1.1571 1.1571 4.8105 4.8105 4.9913 4.9913 5.2002 5.2002 5.2453 5.2453 5.3367 5.3367 6.0021 6.0021 6.1413 6.1413 6.2700 6.2700 6.3307 6.3307 6.3904 6.3904 6.5563 6.5563 6.7484 6.7484 6.9037 6.9037 6.9761 6.9761 7.0164 7.0164 7.0610 7.0610 8.1681 8.1681 8.2241 8.2241 8.4930 8.4930 8.5191 8.5191 8.5369 8.5369 8.6661 8.6661 8.6805 8.6805 8.8360 8.8360 8.8837 8.8837 9.0677 9.0677 9.1129 9.1129 9.2211 9.2211 9.4324 9.4324 10.2895 10.2895 10.8960 10.8960 10.9719 10.9719 11.1104 11.1104 11.3253 11.3253 11.3512 11.3512 11.6080 11.6080 11.6272 11.6272 11.7723 11.7723 12.0221 12.0221 12.0385 12.0386 k = 0.0933 0.1617-0.0000 ( 14530 PWs) bands (ev): -1.8087 -1.8087 -0.3327 -0.3327 -0.1433 -0.1433 -0.0718 -0.0718 0.6177 0.6177 0.6512 0.6512 0.9177 0.9177 1.1573 1.1573 4.8059 4.8059 5.0355 5.0355 5.1883 5.1883 5.2302 5.2302 5.3070 5.3070 6.0153 6.0153 6.1376 6.1376 6.2544 6.2544 6.3390 6.3390 6.4155 6.4155 6.5234 6.5234 6.6956 6.6956 6.8904 6.8904 6.9671 6.9671 6.9985 6.9985 7.0501 7.0501 8.2248 8.2248 8.2636 8.2636 8.4569 8.4569 8.5312 8.5312 8.5719 8.5719 8.6719 8.6719 8.7201 8.7201 8.8464 8.8464 8.9053 8.9053 9.0611 9.0611 9.0899 9.0899 9.1855 9.1855 9.4371 9.4371 10.2369 10.2369 10.9372 10.9372 11.0132 11.0132 11.1760 11.1760 11.3433 11.3433 11.3767 11.3767 11.6088 11.6088 11.6615 11.6615 11.7937 11.7937 12.0055 12.0055 12.0450 12.0450 k = 0.0800 0.1386-0.0000 ( 14536 PWs) bands (ev): -1.8237 -1.8237 -0.3035 -0.3035 -0.1235 -0.1235 -0.0734 -0.0734 0.6084 0.6084 0.6371 0.6371 0.9149 0.9149 1.1575 1.1575 4.8018 4.8018 5.0747 5.0747 5.1803 5.1803 5.2188 5.2188 5.2818 5.2818 6.0188 6.0188 6.1393 6.1393 6.2312 6.2312 6.3356 6.3356 6.4651 6.4651 6.4925 6.4925 6.6451 6.6451 6.8783 6.8783 6.9580 6.9580 6.9804 6.9804 7.0406 7.0406 8.2758 8.2758 8.2966 8.2966 8.4180 8.4180 8.5500 8.5500 8.6050 8.6050 8.6801 8.6801 8.7582 8.7582 8.8583 8.8583 8.9254 8.9254 9.0525 9.0525 9.0683 9.0683 9.1507 9.1507 9.4413 9.4413 10.1861 10.1861 10.9729 10.9729 11.0513 11.0513 11.2411 11.2411 11.3584 11.3584 11.4103 11.4103 11.5959 11.5959 11.7105 11.7105 11.8143 11.8143 11.9857 11.9857 12.0542 12.0542 k = 0.0667 0.1155-0.0000 ( 14530 PWs) bands (ev): -1.8365 -1.8365 -0.2779 -0.2779 -0.1063 -0.1063 -0.0735 -0.0735 0.6000 0.6000 0.6236 0.6236 0.9125 0.9125 1.1577 1.1577 4.7982 4.7982 5.1020 5.1020 5.1803 5.1803 5.2106 5.2106 5.2632 5.2632 6.0138 6.0138 6.1460 6.1460 6.2090 6.2090 6.3312 6.3312 6.4632 6.4632 6.5177 6.5177 6.6021 6.6021 6.8676 6.8676 6.9476 6.9476 6.9629 6.9629 7.0314 7.0314 8.3197 8.3197 8.3234 8.3234 8.3826 8.3826 8.5717 8.5717 8.6345 8.6345 8.6901 8.6901 8.7937 8.7937 8.8714 8.8714 8.9435 8.9435 9.0416 9.0416 9.0484 9.0484 9.1172 9.1172 9.4448 9.4448 10.1390 10.1390 11.0028 11.0028 11.0842 11.0842 11.3049 11.3049 11.3735 11.3735 11.4477 11.4477 11.5856 11.5856 11.7563 11.7563 11.8335 11.8335 11.9603 11.9603 12.0668 12.0668 k = 0.0533 0.0924-0.0000 ( 14546 PWs) bands (ev): -1.8472 -1.8472 -0.2566 -0.2566 -0.0919 -0.0919 -0.0724 -0.0724 0.5928 0.5928 0.6113 0.6113 0.9106 0.9106 1.1579 1.1579 4.7950 4.7950 5.1124 5.1124 5.1869 5.1869 5.2058 5.2058 5.2562 5.2562 6.0037 6.0037 6.1547 6.1547 6.1895 6.1895 6.3283 6.3283 6.4354 6.4354 6.5446 6.5446 6.5926 6.5926 6.8586 6.8586 6.9317 6.9317 6.9498 6.9498 7.0224 7.0224 8.3420 8.3420 8.3485 8.3485 8.3620 8.3620 8.5944 8.5944 8.6589 8.6589 8.7010 8.7010 8.8261 8.8261 8.8858 8.8858 8.9591 8.9591 9.0281 9.0281 9.0309 9.0309 9.0860 9.0860 9.4477 9.4477 10.0974 10.0974 11.0268 11.0268 11.1110 11.1110 11.3638 11.3638 11.3919 11.3919 11.4855 11.4855 11.5781 11.5781 11.7975 11.7975 11.8502 11.8502 11.9265 11.9265 12.0832 12.0832 k = 0.0400 0.0693-0.0000 ( 14550 PWs) bands (ev): -1.8556 -1.8556 -0.2401 -0.2401 -0.0804 -0.0804 -0.0703 -0.0703 0.5865 0.5865 0.6012 0.6012 0.9091 0.9091 1.1580 1.1580 4.7923 4.7923 5.1122 5.1122 5.1889 5.1889 5.2025 5.2025 5.2656 5.2656 5.9921 5.9921 6.1629 6.1629 6.1737 6.1737 6.3268 6.3268 6.4099 6.4099 6.5248 6.5248 6.6368 6.6368 6.8514 6.8514 6.9091 6.9091 6.9420 6.9420 7.0145 7.0145 8.3249 8.3249 8.3585 8.3585 8.3888 8.3888 8.6159 8.6159 8.6774 8.6774 8.7124 8.7124 8.8546 8.8546 8.9019 8.9019 8.9715 8.9715 9.0117 9.0117 9.0162 9.0162 9.0583 9.0583 9.4500 9.4500 10.0628 10.0628 11.0452 11.0452 11.1312 11.1312 11.3951 11.3951 11.4341 11.4341 11.5203 11.5203 11.5736 11.5736 11.8321 11.8321 11.8630 11.8630 11.8856 11.8856 12.1031 12.1031 k = 0.0267 0.0462-0.0000 ( 14536 PWs) bands (ev): -1.8616 -1.8616 -0.2286 -0.2286 -0.0720 -0.0720 -0.0679 -0.0679 0.5812 0.5812 0.5940 0.5940 0.9081 0.9081 1.1581 1.1581 4.7903 4.7903 5.1092 5.1092 5.1873 5.1873 5.1981 5.1981 5.2828 5.2828 5.9819 5.9819 6.1620 6.1620 6.1693 6.1693 6.3263 6.3263 6.3888 6.3888 6.5069 6.5069 6.6839 6.6839 6.8459 6.8459 6.8830 6.8830 6.9368 6.9368 7.0084 7.0084 8.3068 8.3068 8.3688 8.3688 8.4101 8.4101 8.6335 8.6335 8.6898 8.6898 8.7225 8.7225 8.8789 8.8789 8.9192 8.9192 8.9778 8.9778 8.9953 8.9953 9.0053 9.0053 9.0352 9.0352 9.4516 9.4516 10.0369 10.0369 11.0580 11.0580 11.1452 11.1452 11.4082 11.4082 11.4855 11.4855 11.5463 11.5463 11.5755 11.5755 11.8326 11.8326 11.8619 11.8619 11.8765 11.8765 12.1239 12.1245 k = 0.0133 0.0231-0.0000 ( 14546 PWs) bands (ev): -1.8652 -1.8652 -0.2218 -0.2218 -0.0670 -0.0670 -0.0660 -0.0660 0.5775 0.5775 0.5898 0.5898 0.9075 0.9075 1.1581 1.1581 4.7891 4.7891 5.1066 5.1066 5.1859 5.1859 5.1945 5.1945 5.2965 5.2965 5.9748 5.9748 6.1549 6.1549 6.1732 6.1732 6.3263 6.3263 6.3748 6.3748 6.4964 6.4964 6.7234 6.7234 6.8411 6.8411 6.8584 6.8584 6.9337 6.9337 7.0045 7.0045 8.2956 8.2956 8.3749 8.3749 8.4230 8.4230 8.6451 8.6451 8.6969 8.6969 8.7295 8.7295 8.8985 8.8985 8.9349 8.9349 8.9680 8.9680 8.9904 8.9904 8.9998 8.9998 9.0180 9.0180 9.4526 9.4526 10.0207 10.0207 11.0656 11.0656 11.1534 11.1534 11.4162 11.4162 11.5245 11.5245 11.5526 11.5526 11.5928 11.5928 11.7914 11.7914 11.8775 11.8775 11.8834 11.8834 12.1185 12.1414 k = 0.0000 0.0000 0.0000 ( 14539 PWs) bands (ev): -1.8664 -1.8664 -0.2196 -0.2196 -0.0654 -0.0654 -0.0651 -0.0651 0.5762 0.5762 0.5885 0.5885 0.9073 0.9073 1.1582 1.1582 4.7887 4.7887 5.1056 5.1056 5.1854 5.1854 5.1933 5.1933 5.3016 5.3016 5.9723 5.9723 6.1525 6.1525 6.1745 6.1745 6.3262 6.3262 6.3700 6.3700 6.4930 6.4930 6.7415 6.7415 6.8358 6.8358 6.8489 6.8489 6.9326 6.9326 7.0032 7.0032 8.2918 8.2918 8.3769 8.3769 8.4274 8.4274 8.6492 8.6492 8.6993 8.6993 8.7320 8.7320 8.9078 8.9078 8.9420 8.9420 8.9593 8.9593 8.9900 8.9900 8.9989 8.9989 9.0108 9.0108 9.4529 9.4529 10.0152 10.0152 11.0682 11.0682 11.1560 11.1560 11.4189 11.4189 11.5444 11.5444 11.5462 11.5462 11.6053 11.6053 11.7721 11.7721 11.8819 11.8819 11.8871 11.8871 12.1391 12.1472 k = 0.0000 0.0000 0.0000 ( 14539 PWs) bands (ev): -1.8664 -1.8664 -0.2196 -0.2196 -0.0654 -0.0654 -0.0651 -0.0651 0.5762 0.5762 0.5885 0.5885 0.9073 0.9073 1.1582 1.1582 4.7887 4.7887 5.1056 5.1056 5.1854 5.1854 5.1933 5.1933 5.3016 5.3016 5.9723 5.9723 6.1525 6.1525 6.1745 6.1745 6.3262 6.3262 6.3700 6.3700 6.4930 6.4930 6.7415 6.7415 6.8358 6.8358 6.8489 6.8489 6.9326 6.9326 7.0032 7.0032 8.2918 8.2918 8.3769 8.3769 8.4274 8.4274 8.6492 8.6492 8.6993 8.6993 8.7320 8.7320 8.9078 8.9078 8.9420 8.9420 8.9593 8.9593 8.9900 8.9900 8.9989 8.9989 9.0108 9.0108 9.4529 9.4529 10.0152 10.0152 11.0682 11.0682 11.1560 11.1560 11.4189 11.4189 11.5444 11.5444 11.5462 11.5462 11.6053 11.6053 11.7721 11.7721 11.8819 11.8819 11.8871 11.8871 12.1427 12.1473 k = 0.0000 0.0000 0.0260 ( 14551 PWs) bands (ev): -1.8650 -1.8650 -0.2185 -0.2185 -0.0646 -0.0646 -0.0642 -0.0642 0.5764 0.5764 0.5887 0.5887 0.9002 0.9002 1.1604 1.1604 4.7903 4.7903 5.1006 5.1006 5.1814 5.1814 5.1874 5.1874 5.3120 5.3120 5.9724 5.9724 6.1528 6.1528 6.1814 6.1814 6.3297 6.3297 6.3633 6.3633 6.4900 6.4900 6.7431 6.7431 6.8349 6.8349 6.8501 6.8501 6.9377 6.9377 7.0056 7.0056 8.2435 8.2435 8.3777 8.3777 8.4751 8.4751 8.6512 8.6512 8.6976 8.6976 8.7304 8.7304 8.9039 8.9039 8.9432 8.9432 8.9605 8.9605 8.9871 8.9871 8.9949 8.9949 9.0235 9.0235 9.4548 9.4548 10.0033 10.0033 11.0666 11.0666 11.1549 11.1549 11.4185 11.4185 11.5444 11.5444 11.5528 11.5528 11.6042 11.6042 11.7717 11.7717 11.8811 11.8811 11.8860 11.8860 12.1037 12.1409 k = 0.0000 0.0000 0.0520 ( 14539 PWs) bands (ev): -1.8608 -1.8608 -0.2155 -0.2155 -0.0619 -0.0619 -0.0616 -0.0616 0.5770 0.5770 0.5893 0.5893 0.8800 0.8800 1.1660 1.1660 4.7952 4.7952 5.0859 5.0859 5.1703 5.1703 5.1729 5.1729 5.3397 5.3397 5.9717 5.9717 6.1537 6.1537 6.2015 6.2015 6.3402 6.3402 6.3440 6.3440 6.4816 6.4816 6.7479 6.7479 6.8321 6.8321 6.8530 6.8530 6.9521 6.9521 7.0130 7.0130 8.1592 8.1592 8.3798 8.3798 8.5568 8.5568 8.6580 8.6580 8.6926 8.6926 8.7259 8.7259 8.8945 8.8945 8.9468 8.9468 8.9638 8.9638 8.9719 8.9719 9.0076 9.0076 9.0416 9.0416 9.4608 9.4608 9.9685 9.9685 11.0621 11.0621 11.1516 11.1516 11.4172 11.4172 11.5445 11.5445 11.5716 11.5716 11.6010 11.6010 11.7704 11.7704 11.8784 11.8784 11.8828 11.8828 12.0507 12.0507 k = 0.0000 0.0000 0.0780 ( 14521 PWs) bands (ev): -1.8538 -1.8538 -0.2104 -0.2104 -0.0575 -0.0575 -0.0572 -0.0572 0.5780 0.5780 0.5903 0.5903 0.8489 0.8489 1.1731 1.1731 4.8034 4.8034 5.0626 5.0626 5.1435 5.1435 5.1650 5.1650 5.3794 5.3794 5.9686 5.9686 6.1549 6.1549 6.2332 6.2332 6.3140 6.3140 6.3579 6.3579 6.4697 6.4697 6.7558 6.7558 6.8274 6.8274 6.8562 6.8562 6.9743 6.9743 7.0254 7.0254 8.0687 8.0687 8.3833 8.3833 8.6320 8.6320 8.6796 8.6796 8.6845 8.6845 8.7186 8.7186 8.8826 8.8826 8.9528 8.9528 8.9573 8.9573 8.9693 8.9693 9.0246 9.0246 9.0607 9.0607 9.4706 9.4706 9.9137 9.9137 11.0549 11.0549 11.1460 11.1460 11.4151 11.4151 11.5448 11.5448 11.5962 11.5962 11.5999 11.5999 11.7685 11.7685 11.8742 11.8742 11.8772 11.8772 11.9895 11.9895 k = 0.0000 0.0000 0.1040 ( 14509 PWs) bands (ev): -1.8440 -1.8440 -0.2033 -0.2033 -0.0514 -0.0514 -0.0510 -0.0510 0.5794 0.5794 0.5916 0.5916 0.8092 0.8092 1.1794 1.1794 4.8149 4.8149 5.0323 5.0323 5.1091 5.1091 5.1604 5.1604 5.4284 5.4284 5.9607 5.9607 6.1559 6.1559 6.2745 6.2745 6.2759 6.2759 6.3816 6.3816 6.4575 6.4575 6.7669 6.7669 6.8209 6.8209 6.8584 6.8584 7.0024 7.0024 7.0430 7.0430 7.9767 7.9767 8.3876 8.3876 8.6608 8.6608 8.6736 8.6736 8.7090 8.7090 8.7507 8.7507 8.8702 8.8702 8.9438 8.9438 8.9608 8.9608 8.9768 8.9768 9.0442 9.0442 9.0805 9.0805 9.4842 9.4842 9.8430 9.8430 11.0452 11.0452 11.1380 11.1380 11.4124 11.4124 11.5455 11.5455 11.5905 11.5905 11.6338 11.6338 11.7659 11.7659 11.8669 11.8669 11.8686 11.8686 11.9256 11.9256 k = 0.0000 0.0000 0.1300 ( 14491 PWs) bands (ev): -1.8315 -1.8315 -0.1943 -0.1943 -0.0436 -0.0436 -0.0431 -0.0431 0.5810 0.5810 0.5931 0.5931 0.7627 0.7627 1.1835 1.1835 4.8296 4.8296 4.9966 4.9966 5.0691 5.0691 5.1602 5.1602 5.4853 5.4853 5.9463 5.9463 6.1545 6.1545 6.2337 6.2337 6.3232 6.3232 6.4052 6.4052 6.4531 6.4531 6.7812 6.7812 6.8127 6.8127 6.8586 6.8586 7.0345 7.0345 7.0653 7.0653 7.8844 7.8844 8.3925 8.3925 8.6604 8.6604 8.6729 8.6729 8.6975 8.6975 8.8385 8.8385 8.8586 8.8586 8.9313 8.9313 8.9709 8.9709 8.9862 8.9862 9.0652 9.0652 9.1008 9.1008 9.5015 9.5015 9.7609 9.7609 11.0334 11.0334 11.1278 11.1278 11.4091 11.4091 11.5466 11.5466 11.5847 11.5847 11.6685 11.6685 11.7629 11.7629 11.8345 11.8345 11.8619 11.8619 11.8810 11.8810 k = 0.0000 0.0000 0.1560 ( 14473 PWs) bands (ev): -1.8161 -1.8161 -0.1832 -0.1832 -0.0341 -0.0341 -0.0336 -0.0336 0.5829 0.5829 0.5948 0.5948 0.7107 0.7107 1.1846 1.1846 4.8474 4.8474 4.9572 4.9572 5.0254 5.0254 5.1649 5.1649 5.5495 5.5495 5.9240 5.9240 6.1402 6.1402 6.1996 6.1996 6.3771 6.3771 6.4101 6.4101 6.4754 6.4754 6.7987 6.7987 6.8030 6.8030 6.8569 6.8569 7.0693 7.0693 7.0912 7.0912 7.7923 7.7923 8.3974 8.3974 8.6454 8.6454 8.6812 8.6812 8.6847 8.6847 8.8479 8.8479 8.9197 8.9197 8.9281 8.9281 8.9827 8.9827 8.9974 8.9974 9.0870 9.0870 9.1212 9.1212 9.5225 9.5225 9.6724 9.6724 11.0198 11.0198 11.1153 11.1153 11.4056 11.4056 11.5484 11.5484 11.5795 11.5795 11.6976 11.6976 11.7597 11.7597 11.7727 11.7727 11.8544 11.8544 11.8655 11.8655 k = 0.0000 0.0000 0.1820 ( 14479 PWs) bands (ev): -1.7981 -1.7981 -0.1701 -0.1701 -0.0229 -0.0229 -0.0224 -0.0224 0.5848 0.5848 0.5967 0.5967 0.6541 0.6541 1.1820 1.1820 4.8684 4.8684 4.9156 4.9156 4.9797 4.9797 5.1744 5.1744 5.6204 5.6204 5.8938 5.8938 6.0982 6.0982 6.1894 6.1894 6.4034 6.4034 6.4345 6.4345 6.5171 6.5171 6.7914 6.7914 6.8198 6.8198 6.8537 6.8537 7.1057 7.1057 7.1200 7.1200 7.7008 7.7008 8.4019 8.4019 8.6290 8.6290 8.6711 8.6711 8.6839 8.6839 8.8392 8.8392 8.9091 8.9091 8.9963 8.9963 9.0103 9.0103 9.0169 9.0169 9.1092 9.1092 9.1417 9.1417 9.5468 9.5468 9.5829 9.5829 11.0047 11.0047 11.1007 11.1007 11.4021 11.4021 11.5504 11.5504 11.5757 11.5757 11.7074 11.7074 11.7119 11.7119 11.7556 11.7556 11.8464 11.8464 11.8551 11.8551 k = 0.0000 0.0000 0.2080 ( 14461 PWs) bands (ev): -1.7773 -1.7773 -0.1551 -0.1551 -0.0102 -0.0102 -0.0096 -0.0096 0.5867 0.5867 0.5936 0.5936 0.5985 0.5985 1.1756 1.1756 4.8729 4.8729 4.8924 4.8924 4.9332 4.9332 5.1890 5.1890 5.6976 5.6976 5.8560 5.8560 6.0412 6.0412 6.1916 6.1916 6.3963 6.3963 6.4936 6.4936 6.5655 6.5655 6.7786 6.7786 6.8442 6.8442 6.8496 6.8496 7.1431 7.1431 7.1506 7.1506 7.6102 7.6102 8.4052 8.4052 8.6118 8.6118 8.6572 8.6572 8.6772 8.6772 8.8324 8.8324 8.8991 8.8991 9.0113 9.0113 9.0247 9.0247 9.1044 9.1044 9.1316 9.1316 9.1620 9.1620 9.4985 9.4985 9.5743 9.5743 10.9885 10.9885 11.0845 11.0845 11.3988 11.3988 11.5517 11.5517 11.5738 11.5738 11.6443 11.6443 11.6998 11.6998 11.7499 11.7499 11.8380 11.8380 11.8453 11.8453 k = 0.0000 0.0000 0.2340 ( 14449 PWs) bands (ev): -1.7538 -1.7538 -0.1381 -0.1381 0.0040 0.0040 0.0047 0.0047 0.5299 0.5299 0.5885 0.5885 0.6001 0.6001 1.1652 1.1652 4.8302 4.8302 4.8872 4.8872 4.9195 4.9195 5.2084 5.2084 5.7803 5.7803 5.8114 5.8114 5.9786 5.9786 6.1977 6.1977 6.3910 6.3910 6.5528 6.5528 6.6160 6.6160 6.7646 6.7646 6.8461 6.8461 6.8722 6.8722 7.1810 7.1810 7.1824 7.1824 7.5208 7.5208 8.4070 8.4070 8.5942 8.5942 8.6434 8.6434 8.6565 8.6565 8.8267 8.8267 8.8898 8.8898 9.0276 9.0276 9.0405 9.0405 9.1535 9.1535 9.1819 9.1819 9.1907 9.1907 9.4262 9.4262 9.6048 9.6048 10.9716 10.9716 11.0668 11.0668 11.3960 11.3960 11.5477 11.5477 11.5741 11.5741 11.5851 11.5851 11.6593 11.6593 11.7454 11.7454 11.8295 11.8295 11.8356 11.8356 k = 0.0000 0.0000 0.2599 ( 14461 PWs) bands (ev): -1.7276 -1.7276 -0.1192 -0.1192 0.0198 0.0198 0.0205 0.0205 0.4634 0.4634 0.5901 0.5901 0.6015 0.6015 1.1510 1.1510 4.7884 4.7884 4.8425 4.8425 4.9494 4.9494 5.2328 5.2328 5.7611 5.7611 5.8648 5.8648 5.9160 5.9160 6.2064 6.2064 6.3880 6.3880 6.6105 6.6105 6.6648 6.6648 6.7494 6.7494 6.8458 6.8458 6.9040 6.9040 7.2149 7.2149 7.2189 7.2189 7.4330 7.4330 8.4069 8.4069 8.5768 8.5768 8.6177 8.6177 8.6300 8.6300 8.8204 8.8204 8.8808 8.8808 9.0451 9.0451 9.0575 9.0575 9.1758 9.1758 9.2012 9.2012 9.2745 9.2745 9.3726 9.3726 9.6379 9.6379 10.9545 10.9545 11.0484 11.0484 11.3941 11.3941 11.5189 11.5189 11.5306 11.5306 11.5769 11.5769 11.6188 11.6188 11.7423 11.7423 11.8210 11.8210 11.8258 11.8258 k = 0.0000 0.0000 0.2859 ( 14479 PWs) bands (ev): -1.6988 -1.6988 -0.0985 -0.0985 0.0369 0.0369 0.0378 0.0378 0.3947 0.3947 0.5912 0.5912 0.6024 0.6024 1.1331 1.1331 4.7484 4.7484 4.7998 4.7998 4.9823 4.9823 5.2620 5.2620 5.7060 5.7060 5.8399 5.8399 5.9645 5.9645 6.2178 6.2178 6.3871 6.3871 6.6644 6.6644 6.7055 6.7055 6.7338 6.7338 6.8539 6.8539 6.9398 6.9398 7.2475 7.2475 7.2565 7.2565 7.3475 7.3475 8.4046 8.4046 8.5583 8.5583 8.5600 8.5600 8.6169 8.6169 8.8123 8.8123 8.8721 8.8721 9.0636 9.0636 9.0756 9.0756 9.1978 9.1978 9.2198 9.2198 9.3408 9.3408 9.3569 9.3569 9.6733 9.6733 10.9377 10.9377 11.0297 11.0297 11.3933 11.3933 11.4459 11.4459 11.4818 11.4818 11.5823 11.5823 11.6080 11.6080 11.7401 11.7401 11.8125 11.8125 11.8158 11.8158 k = 0.0000 0.0000 0.3119 ( 14473 PWs) bands (ev): -1.6674 -1.6674 -0.0759 -0.0759 0.0553 0.0553 0.0563 0.0563 0.3240 0.3240 0.5918 0.5918 0.6028 0.6028 1.1116 1.1116 4.7106 4.7106 4.7597 4.7597 5.0179 5.0179 5.2959 5.2959 5.6471 5.6471 5.7702 5.7702 6.0572 6.0572 6.2341 6.2341 6.3881 6.3881 6.7040 6.7040 6.7262 6.7262 6.7298 6.7298 6.8780 6.8780 6.9797 6.9797 7.2656 7.2656 7.2798 7.2798 7.2936 7.2936 8.4003 8.4003 8.4792 8.4792 8.5443 8.5443 8.6041 8.6041 8.8025 8.8025 8.8634 8.8634 9.0829 9.0829 9.0946 9.0946 9.2192 9.2192 9.2374 9.2374 9.3325 9.3325 9.4351 9.4351 9.7105 9.7105 10.9215 10.9215 11.0114 11.0114 11.3490 11.3490 11.3935 11.3935 11.4394 11.4394 11.5903 11.5903 11.6125 11.6125 11.7389 11.7389 11.8042 11.8042 11.8053 11.8053 k = 0.0000 0.0000 0.3379 ( 14485 PWs) bands (ev): -1.6333 -1.6333 -0.0514 -0.0514 0.0749 0.0749 0.0761 0.0761 0.2518 0.2518 0.5916 0.5916 0.6024 0.6024 1.0867 1.0867 4.6758 4.6758 4.7229 4.7229 5.0562 5.0562 5.3345 5.3345 5.5853 5.5853 5.6986 5.6986 6.1427 6.1427 6.2641 6.2641 6.3907 6.3907 6.6941 6.6941 6.7368 6.7368 6.7592 6.7592 6.9187 6.9187 7.0235 7.0235 7.1895 7.1895 7.3116 7.3116 7.3299 7.3299 8.3840 8.3840 8.3942 8.3942 8.5300 8.5300 8.5913 8.5913 8.7917 8.7917 8.8545 8.8545 9.1028 9.1028 9.1143 9.1143 9.2391 9.2391 9.2540 9.2540 9.3420 9.3420 9.5109 9.5109 9.7492 9.7492 10.9063 10.9063 10.9940 10.9940 11.2421 11.2421 11.3898 11.3898 11.4088 11.4088 11.6009 11.6009 11.6221 11.6221 11.7389 11.7389 11.7936 11.7936 11.7959 11.7959 k = 0.0000 0.0000 0.3639 ( 14485 PWs) bands (ev): -1.5968 -1.5968 -0.0252 -0.0252 0.0957 0.0957 0.0970 0.0970 0.1784 0.1784 0.5907 0.5907 0.6011 0.6011 1.0588 1.0588 4.6443 4.6443 4.6898 4.6898 5.0970 5.0970 5.3777 5.3777 5.5211 5.5211 5.6262 5.6262 6.1987 6.1987 6.3290 6.3290 6.3947 6.3947 6.6758 6.6758 6.7331 6.7331 6.7865 6.7865 6.9686 6.9686 7.0705 7.0705 7.1240 7.1240 7.3425 7.3425 7.3651 7.3651 8.2777 8.2777 8.3868 8.3868 8.5174 8.5174 8.5781 8.5781 8.7803 8.7803 8.8452 8.8452 9.1232 9.1232 9.1346 9.1346 9.2567 9.2567 9.2695 9.2695 9.3643 9.3643 9.5833 9.5833 9.7887 9.7887 10.8923 10.8923 10.9781 10.9781 11.1313 11.1313 11.3662 11.3662 11.4068 11.4068 11.6140 11.6140 11.6342 11.6342 11.7403 11.7403 11.7788 11.7788 11.7875 11.7875 k = 0.0000 0.0000 0.3899 ( 14467 PWs) bands (ev): -1.5577 -1.5577 0.0027 0.0027 0.1037 0.1037 0.1175 0.1175 0.1192 0.1192 0.5887 0.5887 0.5988 0.5988 1.0281 1.0281 4.6166 4.6166 4.6607 4.6607 5.1402 5.1402 5.4253 5.4253 5.4555 5.4555 5.5537 5.5537 6.2266 6.2266 6.3999 6.3999 6.4267 6.4267 6.6562 6.6562 6.7242 6.7242 6.7923 6.7923 7.0220 7.0220 7.0778 7.0778 7.1204 7.1204 7.3722 7.3722 7.3991 7.3991 8.1646 8.1646 8.3784 8.3784 8.5070 8.5070 8.5642 8.5642 8.7683 8.7683 8.8352 8.8352 9.1438 9.1438 9.1551 9.1551 9.2719 9.2719 9.2837 9.2837 9.3936 9.3936 9.6519 9.6519 9.8286 9.8286 10.8789 10.8789 10.9641 10.9641 11.0217 11.0217 11.3418 11.3418 11.4141 11.4141 11.6296 11.6296 11.6473 11.6473 11.7431 11.7431 11.7565 11.7565 11.7770 11.7783 k = 0.0000 0.0000 0.4159 ( 14485 PWs) bands (ev): -1.5162 -1.5162 0.0288 0.0288 0.0323 0.0323 0.1402 0.1402 0.1419 0.1419 0.5855 0.5855 0.5954 0.5954 0.9948 0.9948 4.5930 4.5930 4.6361 4.6361 5.1853 5.1853 5.3889 5.3889 5.4719 5.4719 5.4872 5.4872 6.2454 6.2454 6.4061 6.4061 6.5376 6.5376 6.6359 6.6359 6.7125 6.7125 6.7679 6.7679 7.0593 7.0593 7.0760 7.0760 7.1712 7.1712 7.4003 7.4003 7.4315 7.4315 8.0485 8.0485 8.3695 8.3695 8.4988 8.4988 8.5497 8.5497 8.7555 8.7555 8.8243 8.8243 9.1643 9.1643 9.1757 9.1757 9.2852 9.2852 9.2967 9.2967 9.4238 9.4238 9.7166 9.7166 9.8681 9.8681 10.8590 10.8590 10.9250 10.9250 10.9526 10.9526 11.3222 11.3222 11.4252 11.4252 11.6471 11.6471 11.6599 11.6599 11.7196 11.7196 11.7475 11.7475 11.7631 11.7631 k = 0.0000 0.0000 0.4419 ( 14509 PWs) bands (ev): -1.4723 -1.4723 -0.0466 -0.0466 0.0635 0.0635 0.1637 0.1637 0.1656 0.1656 0.5811 0.5811 0.5906 0.5906 0.9592 0.9592 4.5740 4.5740 4.6162 4.6162 5.2314 5.2314 5.3220 5.3220 5.4104 5.4104 5.5350 5.5350 6.2619 6.2619 6.4133 6.4133 6.6151 6.6151 6.6542 6.6542 6.6993 6.6993 6.7174 6.7174 7.0639 7.0639 7.1290 7.1290 7.2223 7.2223 7.4266 7.4266 7.4621 7.4621 7.9327 7.9327 8.3604 8.3604 8.4932 8.4932 8.5349 8.5349 8.7419 8.7419 8.8123 8.8123 9.1846 9.1846 9.1962 9.1962 9.2968 9.2968 9.3085 9.3085 9.4487 9.4487 9.7770 9.7770 9.9067 9.9067 10.7968 10.7968 10.8826 10.8826 10.9439 10.9439 11.3071 11.3071 11.4398 11.4398 11.6647 11.6647 11.6686 11.6686 11.6698 11.6698 11.7246 11.7246 11.7536 11.7536 k = 0.0000 0.0000 0.4679 ( 14509 PWs) bands (ev): -1.4260 -1.4260 -0.1222 -0.1222 0.0963 0.0963 0.1879 0.1879 0.1899 0.1899 0.5752 0.5752 0.5844 0.5844 0.9217 0.9217 4.5596 4.5596 4.6012 4.6012 5.2553 5.2553 5.2707 5.2707 5.3504 5.3504 5.5955 5.5955 6.2780 6.2780 6.4214 6.4214 6.5936 6.5936 6.6522 6.6522 6.6851 6.6851 6.7738 6.7738 7.0790 7.0790 7.1803 7.1803 7.2722 7.2722 7.4507 7.4507 7.4904 7.4904 7.8206 7.8206 8.3513 8.3513 8.4902 8.4902 8.5204 8.5204 8.7271 8.7271 8.7991 8.7991 9.2045 9.2045 9.2164 9.2164 9.3066 9.3066 9.3190 9.3190 9.4619 9.4619 9.8329 9.8329 9.9437 9.9437 10.7186 10.7186 10.8743 10.8743 10.9385 10.9385 11.2957 11.2957 11.4580 11.4580 11.6109 11.6109 11.6544 11.6544 11.6749 11.6749 11.6979 11.6979 11.7423 11.7423 k = 0.0000 0.0000 0.4939 ( 14479 PWs) bands (ev): -1.3774 -1.3774 -0.1978 -0.1978 0.1306 0.1306 0.2125 0.2125 0.2148 0.2148 0.5679 0.5679 0.5768 0.5768 0.8825 0.8825 4.5502 4.5502 4.5914 4.5914 5.1893 5.1893 5.2495 5.2495 5.3543 5.3543 5.6602 5.6602 6.2945 6.2945 6.4302 6.4302 6.5708 6.5708 6.5811 6.5811 6.6703 6.6703 6.8945 6.8945 7.0941 7.0941 7.2292 7.2292 7.3197 7.3197 7.4723 7.4723 7.5163 7.5163 7.7169 7.7169 8.3425 8.3425 8.4901 8.4901 8.5072 8.5072 8.7111 8.7111 8.7845 8.7845 9.2236 9.2236 9.2359 9.2359 9.3147 9.3147 9.3283 9.3283 9.4570 9.4570 9.8840 9.8840 9.9785 9.9785 10.6578 10.6578 10.8736 10.8736 10.9365 10.9365 11.2867 11.2867 11.4797 11.4797 11.5506 11.5506 11.5975 11.5975 11.6756 11.6756 11.7103 11.7103 11.7275 11.7275 k = 0.0000 0.0000 0.5199 ( 14485 PWs) bands (ev): -1.3265 -1.3265 -0.2732 -0.2732 0.1663 0.1663 0.2375 0.2375 0.2400 0.2400 0.5590 0.5590 0.5675 0.5675 0.8418 0.8418 4.5458 4.5458 4.5868 4.5868 5.1244 5.1244 5.1873 5.1873 5.4030 5.4030 5.7287 5.7287 6.3117 6.3117 6.4397 6.4397 6.5044 6.5044 6.5501 6.5501 6.6552 6.6552 7.0145 7.0145 7.1002 7.1002 7.2752 7.2752 7.3628 7.3628 7.4911 7.4911 7.5393 7.5393 7.6288 7.6288 8.3342 8.3342 8.4929 8.4929 8.4965 8.4965 8.6938 8.6938 8.7685 8.7685 9.2419 9.2419 9.2545 9.2545 9.3204 9.3204 9.3363 9.3363 9.4296 9.4296 9.9303 9.9303 10.0105 10.0105 10.6227 10.6227 10.8775 10.8775 10.9385 10.9385 11.2783 11.2783 11.4897 11.4897 11.5048 11.5048 11.5360 11.5360 11.6740 11.6740 11.7137 11.7137 11.7178 11.7178 k = 0.0000 0.0000 0.5459 ( 14508 PWs) bands (ev): -1.2735 -1.2735 -0.3481 -0.3481 0.2033 0.2033 0.2628 0.2628 0.2655 0.2655 0.5486 0.5486 0.5566 0.5566 0.7999 0.7999 4.5467 4.5467 4.5877 4.5877 5.0612 5.0612 5.1224 5.1224 5.4585 5.4585 5.8006 5.8006 6.3301 6.3301 6.4283 6.4283 6.4499 6.4499 6.5271 6.5271 6.6400 6.6400 7.0875 7.0875 7.1317 7.1317 7.3180 7.3180 7.3986 7.3986 7.5068 7.5068 7.5594 7.5594 7.5674 7.5674 8.3275 8.3275 8.4895 8.4895 8.4986 8.4986 8.6750 8.6750 8.7512 8.7512 9.2591 9.2591 9.2721 9.2721 9.3197 9.3197 9.3432 9.3432 9.3817 9.3817 9.9716 9.9716 10.0392 10.0392 10.6157 10.6157 10.8857 10.8857 10.9445 10.9445 11.2686 11.2686 11.4296 11.4296 11.4746 11.4746 11.5327 11.5327 11.6721 11.6721 11.7035 11.7035 11.7150 11.7150 k = 0.0000 0.0000 0.5719 ( 14490 PWs) bands (ev): -1.2184 -1.2184 -0.4224 -0.4224 0.2416 0.2416 0.2880 0.2880 0.2911 0.2911 0.5364 0.5364 0.5441 0.5441 0.7571 0.7571 4.5528 4.5528 4.5941 4.5941 5.0001 5.0001 5.0588 5.0588 5.5171 5.5171 5.8756 5.8756 6.3499 6.3499 6.3519 6.3519 6.4607 6.4607 6.5037 6.5037 6.6247 6.6247 7.0481 7.0481 7.2428 7.2428 7.3574 7.3574 7.4229 7.4229 7.5191 7.5191 7.5437 7.5437 7.5766 7.5766 8.3241 8.3241 8.4872 8.4872 8.5070 8.5070 8.6549 8.6549 8.7325 8.7325 9.2750 9.2750 9.2800 9.2800 9.2885 9.2885 9.3483 9.3483 9.3488 9.3488 10.0078 10.0078 10.0641 10.0641 10.6347 10.6347 10.8982 10.8982 10.9547 10.9547 11.2551 11.2551 11.3711 11.3711 11.4144 11.4144 11.5630 11.5630 11.6707 11.6707 11.6947 11.6947 11.7093 11.7093 k = 0.0000 0.0000 0.5979 ( 14496 PWs) bands (ev): -1.1612 -1.1612 -0.4959 -0.4959 0.2811 0.2811 0.3132 0.3132 0.3166 0.3166 0.5227 0.5227 0.5299 0.5299 0.7135 0.7135 4.5642 4.5642 4.6059 4.6059 4.9414 4.9414 4.9977 4.9977 5.5780 5.5780 5.9529 5.9529 6.2758 6.2758 6.3718 6.3718 6.4720 6.4720 6.4793 6.4793 6.6094 6.6094 6.9833 6.9833 7.3435 7.3435 7.3932 7.3932 7.4390 7.4390 7.5279 7.5279 7.5526 7.5526 7.5914 7.5914 8.3270 8.3270 8.4902 8.4902 8.5182 8.5182 8.6335 8.6335 8.7127 8.7127 9.1910 9.1910 9.2895 9.2895 9.3033 9.3033 9.3449 9.3449 9.3530 9.3530 10.0390 10.0390 10.0849 10.0849 10.6747 10.6747 10.9150 10.9150 10.9694 10.9694 11.2351 11.2351 11.3149 11.3149 11.3562 11.3562 11.5945 11.5945 11.6702 11.6702 11.6877 11.6877 11.7026 11.7026 k = 0.0000 0.0000 0.6239 ( 14508 PWs) bands (ev): -1.1021 -1.1021 -0.5686 -0.5686 0.3216 0.3216 0.3381 0.3381 0.3417 0.3417 0.5073 0.5073 0.5142 0.5142 0.6695 0.6695 4.5809 4.5809 4.6232 4.6232 4.8855 4.8855 4.9396 4.9396 5.6408 5.6408 6.0315 6.0315 6.2004 6.2004 6.3967 6.3967 6.4536 6.4536 6.4839 6.4839 6.5943 6.5943 6.9021 6.9021 7.4251 7.4251 7.4274 7.4274 7.4555 7.4555 7.5328 7.5328 7.5757 7.5757 7.6051 7.6051 8.3405 8.3405 8.4990 8.4990 8.5318 8.5318 8.6109 8.6109 8.6919 8.6919 9.0850 9.0850 9.3024 9.3024 9.3166 9.3166 9.3452 9.3452 9.3559 9.3559 10.0652 10.0652 10.1013 10.1013 10.7300 10.7300 10.9363 10.9363 10.9887 10.9887 11.2061 11.2061 11.2620 11.2620 11.3006 11.3006 11.6260 11.6260 11.6707 11.6707 11.6825 11.6825 11.6959 11.6960 k = 0.0000 0.0000 0.6499 ( 14490 PWs) bands (ev): -1.0410 -1.0410 -0.6402 -0.6402 0.3625 0.3625 0.3631 0.3631 0.3665 0.3665 0.4904 0.4904 0.4969 0.4969 0.6252 0.6252 4.6027 4.6027 4.6458 4.6458 4.8329 4.8329 4.8848 4.8848 5.7055 5.7055 6.1097 6.1097 6.1259 6.1259 6.4256 6.4256 6.4260 6.4260 6.4963 6.4963 6.5793 6.5793 6.8138 6.8138 7.4530 7.4530 7.4744 7.4744 7.4869 7.4869 7.5338 7.5338 7.6014 7.6014 7.6203 7.6203 8.3685 8.3685 8.5146 8.5146 8.5477 8.5477 8.5872 8.5872 8.6704 8.6704 8.9717 8.9717 9.3137 9.3137 9.3280 9.3280 9.3451 9.3451 9.3572 9.3572 10.0865 10.0865 10.1133 10.1133 10.7952 10.7952 10.9621 10.9621 11.0125 11.0125 11.1673 11.1673 11.2117 11.2117 11.2479 11.2479 11.6554 11.6554 11.6723 11.6723 11.6789 11.6790 11.6899 11.6899 k = 0.0000 0.0000 0.6759 ( 14538 PWs) bands (ev): -0.9782 -0.9782 -0.7106 -0.7106 0.3863 0.3863 0.3906 0.3906 0.4053 0.4053 0.4721 0.4721 0.4782 0.4782 0.5808 0.5808 4.6296 4.6296 4.6737 4.6737 4.7839 4.7839 4.8338 4.8338 5.7719 5.7719 6.0525 6.0525 6.1847 6.1847 6.3941 6.3941 6.4621 6.4621 6.5091 6.5091 6.5646 6.5646 6.7253 6.7253 7.4769 7.4769 7.4936 7.4936 7.5183 7.5183 7.5307 7.5307 7.6245 7.6245 7.6370 7.6370 8.4111 8.4111 8.5399 8.5399 8.5621 8.5621 8.5655 8.5655 8.6486 8.6486 8.8574 8.8574 9.3232 9.3232 9.3376 9.3376 9.3438 9.3438 9.3569 9.3569 10.1029 10.1029 10.1206 10.1206 10.8654 10.8654 10.9925 10.9925 11.0409 11.0409 11.1204 11.1204 11.1621 11.1621 11.1985 11.1985 11.6748 11.6748 11.6771 11.6771 11.6774 11.6774 11.6847 11.6847 k = 0.0000 0.0000 0.7019 ( 14520 PWs) bands (ev): -0.9136 -0.9136 -0.7797 -0.7797 0.4093 0.4093 0.4140 0.4140 0.4471 0.4471 0.4523 0.4523 0.4594 0.4594 0.5365 0.5365 4.6614 4.6614 4.7067 4.7067 4.7388 4.7388 4.7870 4.7870 5.8399 5.8399 5.9803 5.9803 6.2528 6.2528 6.3567 6.3567 6.5087 6.5087 6.5224 6.5224 6.5502 6.5502 6.6419 6.6419 7.4966 7.4966 7.5106 7.5106 7.5235 7.5235 7.5272 7.5272 7.6419 7.6419 7.6491 7.6491 8.4603 8.4603 8.5348 8.5348 8.5829 8.5829 8.5849 8.5849 8.6269 8.6269 8.7485 8.7485 9.3309 9.3309 9.3412 9.3412 9.3453 9.3453 9.3549 9.3549 10.1144 10.1144 10.1232 10.1232 10.9366 10.9366 11.0277 11.0277 11.0665 11.0665 11.0739 11.0739 11.1132 11.1132 11.1529 11.1529 11.6768 11.6768 11.6781 11.6781 11.6807 11.6807 11.6839 11.6839 k = 0.0000 0.0000 0.7279 ( 14520 PWs) bands (ev): -0.8474 -0.8474 -0.8474 -0.8474 0.4314 0.4314 0.4314 0.4314 0.4362 0.4362 0.4362 0.4362 0.4926 0.4926 0.4926 0.4926 4.6978 4.6978 4.6978 4.6978 4.7445 4.7445 4.7445 4.7445 5.9094 5.9094 5.9094 5.9094 6.3104 6.3104 6.3104 6.3104 6.5361 6.5361 6.5361 6.5361 6.5686 6.5686 6.5686 6.5686 7.5122 7.5122 7.5122 7.5122 7.5228 7.5228 7.5228 7.5228 7.6508 7.6508 7.6508 7.6508 8.5024 8.5024 8.5024 8.5024 8.6055 8.6055 8.6055 8.6055 8.6534 8.6534 8.6534 8.6534 9.3369 9.3369 9.3369 9.3369 9.3511 9.3511 9.3511 9.3511 10.1212 10.1212 10.1212 10.1212 11.0048 11.0048 11.0048 11.0048 11.0679 11.0679 11.0679 11.0679 11.1112 11.1112 11.1112 11.1112 11.6780 11.6780 11.6780 11.6780 11.6817 11.6817 11.6817 11.6817 k = 0.0000 0.0000 0.7279 ( 14520 PWs) bands (ev): -0.8474 -0.8474 -0.8474 -0.8474 0.4314 0.4314 0.4314 0.4314 0.4362 0.4362 0.4362 0.4362 0.4926 0.4926 0.4926 0.4926 4.6978 4.6978 4.6978 4.6978 4.7445 4.7445 4.7445 4.7445 5.9094 5.9094 5.9094 5.9094 6.3104 6.3104 6.3104 6.3104 6.5361 6.5361 6.5361 6.5361 6.5686 6.5686 6.5686 6.5686 7.5122 7.5122 7.5122 7.5122 7.5228 7.5228 7.5228 7.5228 7.6508 7.6508 7.6508 7.6508 8.5024 8.5024 8.5024 8.5024 8.6055 8.6055 8.6055 8.6055 8.6534 8.6534 8.6534 8.6534 9.3369 9.3369 9.3369 9.3369 9.3511 9.3511 9.3511 9.3511 10.1212 10.1212 10.1212 10.1212 11.0048 11.0048 11.0048 11.0048 11.0679 11.0679 11.0679 11.0679 11.1112 11.1112 11.1112 11.1112 11.6780 11.6780 11.6780 11.6780 11.6817 11.6817 11.6817 11.6817 k = 0.0227 0.0131 0.7279 ( 14528 PWs) bands (ev): -0.8465 -0.8465 -0.8465 -0.8465 0.4298 0.4298 0.4300 0.4300 0.4349 0.4349 0.4351 0.4351 0.4935 0.4935 0.4935 0.4935 4.6989 4.6989 4.6990 4.6990 4.7457 4.7457 4.7459 4.7459 5.9114 5.9114 5.9114 5.9114 6.3045 6.3045 6.3047 6.3047 6.5242 6.5242 6.5246 6.5246 6.5868 6.5868 6.5871 6.5871 7.4887 7.4887 7.4899 7.4899 7.5307 7.5307 7.5322 7.5322 7.6626 7.6626 7.6629 7.6629 8.4894 8.4894 8.4899 8.4899 8.5915 8.5915 8.5927 8.5927 8.6780 8.6780 8.6787 8.6787 9.3369 9.3369 9.3369 9.3369 9.3511 9.3511 9.3511 9.3511 10.1219 10.1219 10.1219 10.1219 11.0057 11.0057 11.0058 11.0058 11.0665 11.0665 11.0673 11.0673 11.1093 11.1093 11.1101 11.1101 11.6385 11.6385 11.6456 11.6456 11.6773 11.6773 11.6871 11.6872 k = 0.0455 0.0262 0.7279 ( 14524 PWs) bands (ev): -0.8439 -0.8439 -0.8439 -0.8439 0.4244 0.4244 0.4252 0.4252 0.4319 0.4319 0.4328 0.4328 0.4960 0.4960 0.4961 0.4961 4.7008 4.7008 4.7020 4.7020 4.7501 4.7501 4.7513 4.7513 5.9171 5.9171 5.9173 5.9173 6.2871 6.2871 6.2881 6.2881 6.5110 6.5110 6.5127 6.5127 6.6187 6.6187 6.6195 6.6195 7.4498 7.4498 7.4530 7.4530 7.5319 7.5319 7.5369 7.5369 7.6895 7.6895 7.6911 7.6911 8.4540 8.4540 8.4567 8.4567 8.5784 8.5784 8.5834 8.5834 8.7192 8.7192 8.7216 8.7216 9.3369 9.3369 9.3372 9.3372 9.3510 9.3510 9.3513 9.3513 10.1238 10.1238 10.1238 10.1238 11.0074 11.0074 11.0080 11.0080 11.0607 11.0607 11.0670 11.0670 11.1025 11.1025 11.1092 11.1092 11.5816 11.5816 11.5949 11.5949 11.6710 11.6710 11.6908 11.6908 k = 0.0682 0.0394 0.7279 ( 14538 PWs) bands (ev): -0.8394 -0.8394 -0.8394 -0.8394 0.4152 0.4152 0.4166 0.4166 0.4283 0.4283 0.4298 0.4298 0.4994 0.4994 0.4996 0.4996 4.7017 4.7017 4.7051 4.7051 4.7592 4.7592 4.7628 4.7628 5.9261 5.9261 5.9269 5.9269 6.2599 6.2599 6.2628 6.2628 6.5051 6.5051 6.5092 6.5092 6.6538 6.6538 6.6553 6.6553 7.4050 7.4050 7.4106 7.4106 7.5280 7.5280 7.5372 7.5372 7.7206 7.7206 7.7237 7.7237 8.4084 8.4084 8.4136 8.4136 8.5733 8.5733 8.5825 8.5825 8.7614 8.7614 8.7658 8.7658 9.3368 9.3368 9.3379 9.3379 9.3507 9.3507 9.3519 9.3519 10.1268 10.1268 10.1268 10.1268 11.0066 11.0066 11.0077 11.0077 11.0506 11.0506 11.0673 11.0673 11.0925 11.0925 11.1114 11.1114 11.5271 11.5271 11.5463 11.5463 11.6660 11.6660 11.6931 11.6931 k = 0.0909 0.0525 0.7279 ( 14522 PWs) bands (ev): -0.8333 -0.8333 -0.8333 -0.8333 0.4030 0.4030 0.4047 0.4047 0.4241 0.4241 0.4261 0.4261 0.5033 0.5033 0.5036 0.5036 4.7005 4.7005 4.7064 4.7064 4.7751 4.7751 4.7816 4.7816 5.9377 5.9377 5.9397 5.9397 6.2258 6.2258 6.2313 6.2313 6.5066 6.5066 6.5137 6.5137 6.6897 6.6897 6.6920 6.6920 7.3576 7.3576 7.3654 7.3654 7.5206 7.5206 7.5344 7.5344 7.7496 7.7496 7.7543 7.7543 8.3620 8.3620 8.3695 8.3695 8.5727 8.5727 8.5861 8.5861 8.8015 8.8015 8.8080 8.8080 9.3366 9.3366 9.3390 9.3390 9.3503 9.3503 9.3529 9.3529 10.1305 10.1305 10.1306 10.1306 10.9979 10.9979 11.0000 11.0000 11.0406 11.0406 11.0579 11.0579 11.0914 11.0914 11.1173 11.1173 11.4805 11.4805 11.5053 11.5053 11.6630 11.6630 11.6947 11.6947 k = 0.1136 0.0656 0.7279 ( 14518 PWs) bands (ev): -0.8255 -0.8255 -0.8255 -0.8255 0.3883 0.3883 0.3902 0.3902 0.4193 0.4193 0.4217 0.4217 0.5073 0.5073 0.5078 0.5078 4.6975 4.6975 4.7055 4.7055 4.7983 4.7983 4.8073 4.8073 5.9506 5.9506 5.9549 5.9549 6.1876 6.1876 6.1970 6.1970 6.5141 6.5141 6.5246 6.5246 6.7253 6.7253 6.7283 6.7283 7.3087 7.3087 7.3188 7.3188 7.5099 7.5099 7.5288 7.5288 7.7725 7.7725 7.7787 7.7787 8.3203 8.3203 8.3302 8.3302 8.5751 8.5751 8.5926 8.5926 8.8382 8.8382 8.8470 8.8470 9.3361 9.3361 9.3408 9.3408 9.3498 9.3498 9.3547 9.3547 10.1344 10.1344 10.1346 10.1346 10.9764 10.9764 10.9863 10.9863 11.0302 11.0302 11.0335 11.0335 11.1039 11.1039 11.1274 11.1274 11.4460 11.4460 11.4753 11.4753 11.6625 11.6625 11.6961 11.6961 k = 0.1364 0.0787 0.7279 ( 14502 PWs) bands (ev): -0.8161 -0.8161 -0.8161 -0.8161 0.3714 0.3714 0.3734 0.3734 0.4141 0.4141 0.4167 0.4167 0.5113 0.5113 0.5118 0.5118 4.6934 4.6934 4.7031 4.7031 4.8281 4.8281 4.8395 4.8395 5.9630 5.9630 5.9712 5.9712 6.1483 6.1483 6.1633 6.1633 6.5263 6.5263 6.5407 6.5407 6.7597 6.7597 6.7633 6.7633 7.2590 7.2590 7.2712 7.2712 7.4955 7.4955 7.5198 7.5198 7.7865 7.7865 7.7942 7.7942 8.2875 8.2875 8.3000 8.3000 8.5800 8.5800 8.6016 8.6016 8.8713 8.8713 8.8825 8.8825 9.3355 9.3355 9.3430 9.3430 9.3493 9.3493 9.3572 9.3572 10.1378 10.1378 10.1383 10.1383 10.9477 10.9477 10.9653 10.9653 11.0020 11.0020 11.0130 11.0130 11.1218 11.1218 11.1413 11.1413 11.4271 11.4271 11.4588 11.4588 11.6643 11.6643 11.6975 11.6975 k = 0.1591 0.0919 0.7279 ( 14518 PWs) bands (ev): -0.8051 -0.8051 -0.8051 -0.8051 0.3524 0.3524 0.3544 0.3544 0.4086 0.4086 0.4113 0.4113 0.5150 0.5150 0.5157 0.5157 4.6888 4.6888 4.6998 4.6998 4.8639 4.8639 4.8774 4.8774 5.9710 5.9710 5.9856 5.9856 6.1119 6.1119 6.1347 6.1347 6.5418 6.5418 6.5608 6.5608 6.7923 6.7923 6.7967 6.7967 7.2086 7.2086 7.2228 7.2228 7.4765 7.4765 7.5069 7.5069 7.7903 7.7903 7.7996 7.7996 8.2662 8.2662 8.2812 8.2812 8.5876 8.5876 8.6132 8.6132 8.9008 8.9008 8.9144 8.9144 9.3347 9.3347 9.3448 9.3448 9.3501 9.3501 9.3608 9.3608 10.1398 10.1398 10.1407 10.1407 10.9158 10.9158 10.9360 10.9360 10.9688 10.9688 10.9866 10.9866 11.1416 11.1416 11.1580 11.1580 11.4250 11.4250 11.4563 11.4563 11.6677 11.6677 11.6984 11.6984 k = 0.1818 0.1050 0.7279 ( 14518 PWs) bands (ev): -0.7928 -0.7928 -0.7928 -0.7928 0.3316 0.3316 0.3336 0.3336 0.4029 0.4029 0.4057 0.4057 0.5186 0.5186 0.5193 0.5193 4.6842 4.6842 4.6961 4.6961 4.9054 4.9054 4.9208 4.9208 5.9688 5.9688 5.9900 5.9900 6.0866 6.0866 6.1175 6.1175 6.5597 6.5597 6.5842 6.5842 6.8227 6.8227 6.8278 6.8278 7.1579 7.1579 7.1733 7.1733 7.4525 7.4525 7.4891 7.4891 7.7848 7.7848 7.7960 7.7960 8.2567 8.2567 8.2737 8.2737 8.5982 8.5982 8.6274 8.6274 8.9268 8.9268 8.9429 8.9429 9.3339 9.3339 9.3448 9.3448 9.3538 9.3538 9.3655 9.3655 10.1393 10.1393 10.1407 10.1407 10.8829 10.8829 10.8981 10.8981 10.9386 10.9386 10.9531 10.9531 11.1617 11.1617 11.1761 11.1761 11.4377 11.4377 11.4663 11.4663 11.6710 11.6710 11.6965 11.6965 k = 0.2045 0.1181 0.7279 ( 14514 PWs) bands (ev): -0.7792 -0.7792 -0.7792 -0.7792 0.3092 0.3092 0.3113 0.3113 0.3972 0.3972 0.4000 0.4000 0.5219 0.5219 0.5226 0.5226 4.6799 4.6799 4.6924 4.6924 4.9519 4.9519 4.9691 4.9691 5.9524 5.9524 5.9735 5.9735 6.0839 6.0839 6.1159 6.1159 6.5784 6.5784 6.6098 6.6098 6.8503 6.8503 6.8564 6.8564 7.1070 7.1070 7.1227 7.1227 7.4236 7.4236 7.4662 7.4662 7.7732 7.7732 7.7862 7.7862 8.2569 8.2569 8.2753 8.2753 8.6119 8.6119 8.6444 8.6444 8.9497 8.9497 8.9682 8.9682 9.3330 9.3330 9.3439 9.3439 9.3596 9.3596 9.3716 9.3716 10.1350 10.1350 10.1372 10.1372 10.8511 10.8511 10.8558 10.8558 10.9117 10.9117 10.9160 10.9160 11.1812 11.1812 11.1946 11.1946 11.4620 11.4620 11.4863 11.4863 11.6704 11.6704 11.6870 11.6870 k = 0.2273 0.1312 0.7279 ( 14512 PWs) bands (ev): -0.7644 -0.7644 -0.7644 -0.7644 0.2856 0.2856 0.2876 0.2876 0.3915 0.3915 0.3942 0.3942 0.5249 0.5249 0.5256 0.5256 4.6762 4.6762 4.6889 4.6889 5.0031 5.0031 5.0220 5.0220 5.9252 5.9252 5.9415 5.9415 6.0982 6.0982 6.1269 6.1269 6.5963 6.5963 6.6367 6.6367 6.8745 6.8745 6.8819 6.8819 7.0571 7.0571 7.0711 7.0711 7.3906 7.3906 7.4383 7.4383 7.7593 7.7593 7.7738 7.7738 8.2634 8.2634 8.2825 8.2825 8.6288 8.6288 8.6637 8.6637 8.9702 8.9702 8.9909 8.9909 9.3320 9.3320 9.3428 9.3428 9.3671 9.3671 9.3792 9.3792 10.1254 10.1254 10.1286 10.1286 10.8135 10.8135 10.8222 10.8222 10.8788 10.8788 10.8880 10.8880 11.1999 11.1999 11.2127 11.2127 11.4942 11.4942 11.5125 11.5125 11.6602 11.6602 11.6639 11.6639 k = 0.2500 0.1443 0.7279 ( 14516 PWs) bands (ev): -0.7488 -0.7488 -0.7487 -0.7487 0.2611 0.2611 0.2630 0.2630 0.3860 0.3860 0.3886 0.3886 0.5276 0.5276 0.5284 0.5284 4.6731 4.6731 4.6858 4.6858 5.0586 5.0586 5.0791 5.0791 5.8929 5.8929 5.9049 5.9049 6.1187 6.1187 6.1446 6.1446 6.6105 6.6105 6.6631 6.6631 6.8937 6.8937 6.9030 6.9030 7.0107 7.0107 7.0202 7.0202 7.3552 7.3552 7.4065 7.4065 7.7460 7.7460 7.7614 7.7614 8.2733 8.2733 8.2922 8.2922 8.6484 8.6484 8.6849 8.6849 8.9889 8.9889 9.0115 9.0115 9.3312 9.3312 9.3417 9.3417 9.3763 9.3763 9.3884 9.3884 10.1094 10.1094 10.1138 10.1138 10.7744 10.7744 10.7977 10.7977 10.8442 10.8442 10.8681 10.8681 11.2174 11.2174 11.2300 11.2300 11.5306 11.5306 11.5390 11.5390 11.6277 11.6277 11.6385 11.6385 k = 0.2727 0.1575 0.7279 ( 14516 PWs) bands (ev): -0.7324 -0.7324 -0.7324 -0.7324 0.2361 0.2361 0.2379 0.2379 0.3807 0.3807 0.3832 0.3832 0.5301 0.5301 0.5308 0.5308 4.6708 4.6708 4.6833 4.6833 5.1180 5.1180 5.1398 5.1398 5.8595 5.8595 5.8680 5.8680 6.1411 6.1411 6.1654 6.1654 6.6171 6.6171 6.6862 6.6862 6.9013 6.9013 6.9143 6.9143 6.9760 6.9760 6.9780 6.9780 7.3195 7.3195 7.3727 7.3727 7.7347 7.7347 7.7505 7.7505 8.2842 8.2842 8.3023 8.3023 8.6701 8.6701 8.7071 8.7071 9.0064 9.0064 9.0304 9.0304 9.3304 9.3304 9.3406 9.3406 9.3874 9.3874 9.3996 9.3996 10.0861 10.0861 10.0919 10.0919 10.7399 10.7399 10.7765 10.7765 10.8160 10.8160 10.8534 10.8534 11.2334 11.2334 11.2456 11.2456 11.5475 11.5475 11.5600 11.5600 11.5930 11.5930 11.6240 11.6240 k = 0.2955 0.1706 0.7279 ( 14522 PWs) bands (ev): -0.7156 -0.7156 -0.7156 -0.7156 0.2109 0.2109 0.2126 0.2126 0.3757 0.3757 0.3780 0.3780 0.5323 0.5323 0.5329 0.5329 4.6693 4.6693 4.6814 4.6814 5.1805 5.1805 5.2035 5.2035 5.8271 5.8271 5.8329 5.8329 6.1635 6.1635 6.1875 6.1875 6.6105 6.6105 6.6997 6.6997 6.8829 6.8829 6.9047 6.9047 6.9641 6.9641 6.9692 6.9692 7.2857 7.2857 7.3388 7.3388 7.7258 7.7258 7.7413 7.7413 8.2948 8.2948 8.3114 8.3114 8.6927 8.6927 8.7291 8.7291 9.0235 9.0235 9.0482 9.0482 9.3297 9.3297 9.3396 9.3396 9.4006 9.4006 9.4128 9.4128 10.0555 10.0555 10.0627 10.0627 10.7105 10.7105 10.7545 10.7545 10.8002 10.8002 10.8449 10.8449 11.2475 11.2475 11.2586 11.2586 11.5178 11.5178 11.5269 11.5269 11.6178 11.6178 11.6402 11.6402 k = 0.3182 0.1837 0.7279 ( 14516 PWs) bands (ev): -0.6987 -0.6987 -0.6986 -0.6986 0.1861 0.1861 0.1876 0.1876 0.3710 0.3710 0.3732 0.3732 0.5342 0.5342 0.5348 0.5348 4.6686 4.6686 4.6800 4.6800 5.2457 5.2457 5.2694 5.2694 5.7972 5.7972 5.8007 5.8007 6.1847 6.1847 6.2096 6.2096 6.5857 6.5857 6.6912 6.6912 6.8585 6.8585 6.8889 6.8889 6.9707 6.9707 6.9795 6.9795 7.2553 7.2553 7.3066 7.3066 7.7192 7.7192 7.7339 7.7339 8.3045 8.3045 8.3192 8.3192 8.7152 8.7152 8.7498 8.7498 9.0406 9.0406 9.0653 9.0653 9.3291 9.3291 9.3387 9.3387 9.4160 9.4160 9.4284 9.4284 10.0185 10.0185 10.0268 10.0268 10.6861 10.6861 10.7303 10.7303 10.7984 10.7984 10.8436 10.8436 11.2587 11.2587 11.2677 11.2677 11.4721 11.4721 11.4791 11.4791 11.6553 11.6553 11.6657 11.6657 k = 0.3409 0.1968 0.7279 ( 14528 PWs) bands (ev): -0.6820 -0.6820 -0.6819 -0.6819 0.1621 0.1621 0.1634 0.1634 0.3668 0.3668 0.3687 0.3687 0.5358 0.5358 0.5364 0.5364 4.6686 4.6686 4.6791 4.6791 5.3123 5.3123 5.3364 5.3364 5.7712 5.7712 5.7725 5.7725 6.2037 6.2037 6.2309 6.2309 6.5424 6.5424 6.6520 6.6520 6.8531 6.8531 6.8815 6.8815 6.9816 6.9816 6.9926 6.9926 7.2294 7.2294 7.2773 7.2773 7.7143 7.7143 7.7280 7.7280 8.3128 8.3128 8.3255 8.3255 8.7365 8.7365 8.7683 8.7683 9.0579 9.0579 9.0817 9.0817 9.3286 9.3286 9.3377 9.3377 9.4340 9.4340 9.4465 9.4465 9.9763 9.9763 9.9856 9.9856 10.6659 10.6659 10.7066 10.7066 10.8075 10.8075 10.8497 10.8497 11.2655 11.2655 11.2709 11.2709 11.4237 11.4237 11.4329 11.4329 11.6850 11.6850 11.6874 11.6874 k = 0.3636 0.2099 0.7279 ( 14516 PWs) bands (ev): -0.6660 -0.6660 -0.6659 -0.6659 0.1395 0.1395 0.1407 0.1407 0.3631 0.3631 0.3648 0.3648 0.5372 0.5372 0.5377 0.5377 4.6693 4.6693 4.6787 4.6787 5.3790 5.3790 5.4025 5.4025 5.7498 5.7498 5.7511 5.7511 6.2193 6.2193 6.2506 6.2506 6.4854 6.4854 6.5928 6.5928 6.8610 6.8610 6.8817 6.8817 6.9929 6.9929 7.0053 7.0053 7.2085 7.2085 7.2516 7.2516 7.7109 7.7109 7.7233 7.7233 8.3199 8.3199 8.3304 8.3304 8.7557 8.7557 8.7838 8.7838 9.0755 9.0755 9.0974 9.0974 9.3282 9.3282 9.3367 9.3367 9.4547 9.4547 9.4673 9.4673 9.9305 9.9305 9.9406 9.9406 10.6496 10.6496 10.6852 10.6852 10.8247 10.8247 10.8627 10.8627 11.2650 11.2650 11.2653 11.2653 11.3783 11.3783 11.3927 11.3927 11.6921 11.6921 11.7045 11.7045 k = 0.3864 0.2231 0.7279 ( 14516 PWs) bands (ev): -0.6511 -0.6511 -0.6510 -0.6510 0.1188 0.1188 0.1198 0.1198 0.3599 0.3599 0.3613 0.3613 0.5384 0.5384 0.5388 0.5388 4.6703 4.6703 4.6785 4.6785 5.4428 5.4428 5.4643 5.4643 5.7351 5.7351 5.7398 5.7398 6.2297 6.2297 6.2672 6.2672 6.4211 6.4211 6.5266 6.5266 6.8718 6.8718 6.8852 6.8852 7.0041 7.0041 7.0168 7.0168 7.1928 7.1928 7.2301 7.2301 7.7087 7.7087 7.7196 7.7196 8.3257 8.3257 8.3341 8.3341 8.7722 8.7722 8.7960 8.7960 9.0927 9.0927 9.1120 9.1120 9.3279 9.3279 9.3357 9.3357 9.4784 9.4784 9.4911 9.4911 9.8828 9.8828 9.8933 9.8933 10.6366 10.6366 10.6667 10.6667 10.8483 10.8483 10.8818 10.8818 11.2469 11.2469 11.2526 11.2526 11.3429 11.3429 11.3623 11.3623 11.6893 11.6893 11.7029 11.7029 k = 0.4091 0.2362 0.7279 ( 14534 PWs) bands (ev): -0.6378 -0.6378 -0.6378 -0.6378 0.1008 0.1008 0.1016 0.1016 0.3572 0.3572 0.3584 0.3584 0.5393 0.5393 0.5397 0.5397 4.6717 4.6717 4.6784 4.6784 5.4988 5.4988 5.5159 5.5159 5.7326 5.7326 5.7424 5.7424 6.2313 6.2313 6.2757 6.2757 6.3587 6.3587 6.4625 6.4625 6.8811 6.8811 6.8892 6.8892 7.0151 7.0151 7.0266 7.0266 7.1818 7.1818 7.2126 7.2126 7.7074 7.7074 7.7165 7.7165 8.3303 8.3303 8.3368 8.3368 8.7859 8.7859 8.8051 8.8051 9.1089 9.1089 9.1249 9.1249 9.3278 9.3278 9.3345 9.3345 9.5052 9.5052 9.5179 9.5179 9.8343 9.8343 9.8453 9.8453 10.6269 10.6269 10.6511 10.6511 10.8768 10.8768 10.9057 10.9057 11.2173 11.2173 11.2234 11.2234 11.3226 11.3226 11.3420 11.3420 11.6832 11.6832 11.6943 11.6943 k = 0.4318 0.2493 0.7279 ( 14524 PWs) bands (ev): -0.6268 -0.6268 -0.6267 -0.6267 0.0859 0.0859 0.0866 0.0866 0.3551 0.3551 0.3560 0.3560 0.5401 0.5401 0.5403 0.5403 4.6732 4.6732 4.6784 4.6784 5.5397 5.5397 5.5503 5.5503 5.7481 5.7481 5.7637 5.7637 6.2188 6.2188 6.2514 6.2514 6.3269 6.3269 6.4097 6.4097 6.8876 6.8876 6.8923 6.8923 7.0252 7.0252 7.0345 7.0345 7.1752 7.1752 7.1988 7.1988 7.7069 7.7069 7.7140 7.7140 8.3339 8.3339 8.3386 8.3386 8.7968 8.7968 8.8112 8.8112 9.1231 9.1231 9.1355 9.1355 9.3279 9.3279 9.3333 9.3333 9.5351 9.5351 9.5477 9.5477 9.7866 9.7866 9.7978 9.7978 10.6202 10.6202 10.6385 10.6385 10.9088 10.9088 10.9330 10.9330 11.1816 11.1816 11.1844 11.1844 11.3127 11.3127 11.3281 11.3281 11.6778 11.6778 11.6860 11.6860 k = 0.4545 0.2624 0.7279 ( 14516 PWs) bands (ev): -0.6184 -0.6184 -0.6184 -0.6184 0.0749 0.0749 0.0753 0.0753 0.3537 0.3537 0.3543 0.3543 0.5406 0.5406 0.5408 0.5408 4.6747 4.6747 4.6782 4.6782 5.5621 5.5621 5.5672 5.5672 5.7817 5.7817 5.7998 5.7998 6.1892 6.1892 6.1965 6.1965 6.3292 6.3292 6.3754 6.3754 6.8915 6.8915 6.8941 6.8941 7.0336 7.0336 7.0400 7.0400 7.1723 7.1723 7.1883 7.1883 7.7070 7.7070 7.7118 7.7118 8.3366 8.3366 8.3396 8.3396 8.8050 8.8050 8.8146 8.8146 9.1346 9.1346 9.1430 9.1430 9.3282 9.3282 9.3320 9.3320 9.5678 9.5678 9.5800 9.5800 9.7407 9.7407 9.7520 9.7520 10.6165 10.6165 10.6288 10.6288 10.9425 10.9425 10.9616 10.9616 11.1442 11.1442 11.1452 11.1452 11.3074 11.3074 11.3178 11.3178 11.6744 11.6744 11.6798 11.6798 k = 0.4773 0.2756 0.7279 ( 14510 PWs) bands (ev): -0.6132 -0.6132 -0.6132 -0.6132 0.0680 0.0680 0.0683 0.0683 0.3529 0.3529 0.3532 0.3532 0.5409 0.5409 0.5410 0.5410 4.6760 4.6760 4.6778 4.6778 5.5713 5.5713 5.5732 5.5732 5.8210 5.8210 5.8341 5.8341 6.1496 6.1496 6.1528 6.1528 6.3372 6.3372 6.3568 6.3568 6.8937 6.8937 6.8949 6.8949 7.0396 7.0396 7.0429 7.0429 7.1726 7.1726 7.1807 7.1807 7.7076 7.7076 7.7101 7.7101 8.3384 8.3384 8.3399 8.3399 8.8108 8.8108 8.8156 8.8156 9.1426 9.1426 9.1469 9.1469 9.3288 9.3288 9.3308 9.3308 9.6021 9.6021 9.6128 9.6128 9.6995 9.6995 9.7097 9.7097 10.6156 10.6156 10.6217 10.6217 10.9744 10.9744 10.9865 10.9865 11.1101 11.1101 11.1132 11.1132 11.3052 11.3052 11.3104 11.3104 11.6731 11.6731 11.6758 11.6758 k = 0.5000 0.2887 0.7279 ( 14512 PWs) bands (ev): -0.6115 -0.6115 -0.6115 -0.6115 0.0658 0.0658 0.0658 0.0658 0.3527 0.3527 0.3527 0.3527 0.5411 0.5411 0.5411 0.5411 4.6771 4.6771 4.6771 4.6771 5.5741 5.5741 5.5741 5.5741 5.8442 5.8442 5.8442 5.8442 6.1330 6.1330 6.1330 6.1330 6.3459 6.3459 6.3459 6.3459 6.8947 6.8947 6.8947 6.8947 7.0427 7.0427 7.0427 7.0427 7.1754 7.1754 7.1754 7.1754 7.7087 7.7087 7.7087 7.7087 8.3395 8.3395 8.3395 8.3395 8.8143 8.8143 8.8143 8.8143 9.1468 9.1468 9.1468 9.1468 9.3297 9.3297 9.3297 9.3297 9.6287 9.6287 9.6287 9.6287 9.6806 9.6806 9.6806 9.6806 10.6174 10.6174 10.6174 10.6174 10.9940 10.9940 10.9940 10.9940 11.0964 11.0964 11.0964 11.0964 11.3061 11.3061 11.3061 11.3061 11.6736 11.6736 11.6736 11.6736 k = 0.5000 0.2887 0.7279 ( 14512 PWs) bands (ev): -0.6115 -0.6115 -0.6115 -0.6115 0.0658 0.0658 0.0658 0.0658 0.3527 0.3527 0.3527 0.3527 0.5411 0.5411 0.5411 0.5411 4.6771 4.6771 4.6771 4.6771 5.5741 5.5741 5.5741 5.5741 5.8442 5.8442 5.8442 5.8442 6.1330 6.1330 6.1330 6.1330 6.3459 6.3459 6.3459 6.3459 6.8947 6.8947 6.8947 6.8947 7.0427 7.0427 7.0427 7.0427 7.1754 7.1754 7.1754 7.1754 7.7087 7.7087 7.7087 7.7087 8.3395 8.3395 8.3395 8.3395 8.8143 8.8143 8.8143 8.8143 9.1468 9.1468 9.1468 9.1468 9.3297 9.3297 9.3297 9.3297 9.6287 9.6287 9.6287 9.6287 9.6806 9.6806 9.6806 9.6806 10.6174 10.6174 10.6174 10.6174 10.9940 10.9940 10.9940 10.9940 11.0964 11.0964 11.0964 11.0964 11.3061 11.3061 11.3061 11.3061 11.6736 11.6736 11.6736 11.6736 k = 0.4872 0.3109 0.7279 ( 14504 PWs) bands (ev): -0.6110 -0.6110 -0.6110 -0.6110 0.0664 0.0664 0.0664 0.0664 0.3503 0.3503 0.3503 0.3503 0.5422 0.5422 0.5422 0.5422 4.6796 4.6796 4.6796 4.6796 5.5664 5.5664 5.5664 5.5664 5.8442 5.8442 5.8442 5.8442 6.1399 6.1399 6.1399 6.1399 6.3474 6.3474 6.3474 6.3474 6.8944 6.8944 6.8944 6.8944 7.0431 7.0431 7.0431 7.0431 7.1756 7.1756 7.1756 7.1756 7.7008 7.7008 7.7008 7.7008 8.3465 8.3465 8.3465 8.3465 8.8139 8.8139 8.8139 8.8139 9.1459 9.1459 9.1459 9.1459 9.3302 9.3302 9.3302 9.3302 9.6260 9.6260 9.6260 9.6260 9.6785 9.6785 9.6785 9.6785 10.6217 10.6217 10.6217 10.6217 10.9967 10.9967 10.9967 10.9967 11.0977 11.0977 11.0977 11.0977 11.3066 11.3066 11.3066 11.3066 11.6708 11.6708 11.6708 11.6708 k = 0.4744 0.3331 0.7279 ( 14504 PWs) bands (ev): -0.6098 -0.6098 -0.6098 -0.6098 0.0682 0.0682 0.0682 0.0682 0.3433 0.3433 0.3433 0.3433 0.5452 0.5452 0.5452 0.5452 4.6873 4.6873 4.6873 4.6873 5.5445 5.5445 5.5445 5.5445 5.8442 5.8442 5.8442 5.8442 6.1592 6.1592 6.1592 6.1592 6.3520 6.3520 6.3520 6.3520 6.8936 6.8936 6.8936 6.8936 7.0440 7.0440 7.0440 7.0440 7.1762 7.1762 7.1762 7.1762 7.6783 7.6783 7.6783 7.6783 8.3666 8.3666 8.3666 8.3666 8.8126 8.8126 8.8126 8.8126 9.1432 9.1432 9.1432 9.1432 9.3317 9.3317 9.3317 9.3317 9.6182 9.6182 9.6182 9.6182 9.6723 9.6723 9.6723 9.6723 10.6343 10.6343 10.6343 10.6343 11.0045 11.0045 11.0045 11.0045 11.1012 11.1012 11.1012 11.1012 11.3082 11.3082 11.3082 11.3082 11.6626 11.6626 11.6626 11.6626 k = 0.4615 0.3553 0.7279 ( 14522 PWs) bands (ev): -0.6077 -0.6077 -0.6077 -0.6077 0.0711 0.0711 0.0711 0.0711 0.3324 0.3324 0.3324 0.3324 0.5498 0.5498 0.5498 0.5498 4.7001 4.7001 4.7001 4.7001 5.5114 5.5114 5.5114 5.5114 5.8442 5.8442 5.8442 5.8442 6.1877 6.1877 6.1877 6.1877 6.3594 6.3594 6.3594 6.3594 6.8926 6.8926 6.8926 6.8926 7.0454 7.0454 7.0454 7.0454 7.1771 7.1771 7.1771 7.1771 7.6440 7.6440 7.6440 7.6440 8.3969 8.3969 8.3969 8.3969 8.8105 8.8105 8.8105 8.8105 9.1389 9.1389 9.1389 9.1389 9.3344 9.3344 9.3344 9.3344 9.6058 9.6058 9.6058 9.6058 9.6625 9.6625 9.6625 9.6625 10.6543 10.6543 10.6543 10.6543 11.0170 11.0170 11.0170 11.0170 11.1069 11.1069 11.1069 11.1069 11.3108 11.3108 11.3108 11.3108 11.6489 11.6489 11.6489 11.6489 k = 0.4487 0.3775 0.7279 ( 14526 PWs) bands (ev): -0.6049 -0.6049 -0.6049 -0.6049 0.0752 0.0752 0.0752 0.0752 0.3182 0.3182 0.3182 0.3182 0.5552 0.5552 0.5552 0.5552 4.7176 4.7176 4.7176 4.7176 5.4705 5.4705 5.4705 5.4705 5.8443 5.8443 5.8443 5.8443 6.2215 6.2215 6.2215 6.2215 6.3695 6.3695 6.3695 6.3695 6.8918 6.8918 6.8918 6.8918 7.0470 7.0470 7.0470 7.0470 7.1784 7.1784 7.1784 7.1784 7.6011 7.6011 7.6011 7.6011 8.4344 8.4344 8.4344 8.4344 8.8076 8.8076 8.8076 8.8076 9.1329 9.1329 9.1329 9.1329 9.3383 9.3383 9.3383 9.3383 9.5899 9.5899 9.5899 9.5899 9.6496 9.6496 9.6496 9.6496 10.6806 10.6806 10.6806 10.6806 11.0334 11.0334 11.0334 11.0334 11.1144 11.1144 11.1144 11.1144 11.3146 11.3146 11.3146 11.3146 11.6301 11.6301 11.6301 11.6301 k = 0.4359 0.3997 0.7279 ( 14518 PWs) bands (ev): -0.6016 -0.6016 -0.6016 -0.6016 0.0804 0.0804 0.0804 0.0804 0.3017 0.3017 0.3017 0.3017 0.5609 0.5609 0.5609 0.5609 4.7398 4.7398 4.7398 4.7398 5.4247 5.4247 5.4247 5.4247 5.8447 5.8447 5.8447 5.8447 6.2570 6.2570 6.2570 6.2570 6.3821 6.3821 6.3821 6.3821 6.8918 6.8918 6.8918 6.8918 7.0486 7.0486 7.0486 7.0486 7.1802 7.1802 7.1802 7.1802 7.5527 7.5527 7.5527 7.5527 8.4761 8.4761 8.4761 8.4761 8.8039 8.8039 8.8039 8.8039 9.1256 9.1256 9.1256 9.1256 9.3434 9.3434 9.3434 9.3434 9.5715 9.5715 9.5715 9.5715 9.6343 9.6343 9.6343 9.6343 10.7118 10.7118 10.7118 10.7118 11.0526 11.0526 11.0526 11.0526 11.1232 11.1232 11.1232 11.1232 11.3193 11.3193 11.3193 11.3193 11.6062 11.6062 11.6062 11.6062 k = 0.4231 0.4219 0.7279 ( 14522 PWs) bands (ev): -0.5977 -0.5977 -0.5977 -0.5977 0.0867 0.0867 0.0867 0.0867 0.2834 0.2834 0.2834 0.2834 0.5664 0.5664 0.5664 0.5664 4.7662 4.7662 4.7662 4.7662 5.3759 5.3759 5.3759 5.3759 5.8456 5.8456 5.8456 5.8456 6.2912 6.2912 6.2912 6.2912 6.3967 6.3967 6.3967 6.3967 6.8935 6.8935 6.8935 6.8935 7.0499 7.0499 7.0499 7.0499 7.1822 7.1822 7.1822 7.1822 7.5014 7.5014 7.5014 7.5014 8.5198 8.5198 8.5198 8.5198 8.7994 8.7994 8.7994 8.7994 9.1171 9.1171 9.1171 9.1171 9.3499 9.3499 9.3499 9.3499 9.5519 9.5519 9.5519 9.5519 9.6171 9.6171 9.6171 9.6171 10.7462 10.7462 10.7462 10.7462 11.0731 11.0731 11.0731 11.0731 11.1331 11.1331 11.1331 11.1331 11.3251 11.3251 11.3251 11.3251 11.5778 11.5779 11.5779 11.5780 k = 0.4103 0.4441 0.7279 ( 14530 PWs) bands (ev): -0.5935 -0.5935 -0.5935 -0.5935 0.0940 0.0940 0.0940 0.0940 0.2641 0.2641 0.2641 0.2641 0.5715 0.5715 0.5715 0.5715 4.7965 4.7965 4.7965 4.7965 5.3257 5.3257 5.3257 5.3257 5.8471 5.8471 5.8471 5.8471 6.3218 6.3218 6.3218 6.3218 6.4128 6.4128 6.4128 6.4128 6.8973 6.8973 6.8973 6.8973 7.0505 7.0505 7.0505 7.0505 7.1846 7.1846 7.1846 7.1846 7.4497 7.4497 7.4497 7.4497 8.5634 8.5634 8.5634 8.5634 8.7942 8.7942 8.7942 8.7942 9.1078 9.1078 9.1078 9.1078 9.3580 9.3580 9.3580 9.3580 9.5320 9.5320 9.5320 9.5320 9.5987 9.5987 9.5987 9.5987 10.7824 10.7824 10.7824 10.7824 11.0928 11.0928 11.0928 11.0928 11.1441 11.1441 11.1441 11.1441 11.3317 11.3317 11.3317 11.3317 11.5467 11.5467 11.5467 11.5469 k = 0.3974 0.4663 0.7279 ( 14522 PWs) bands (ev): -0.5892 -0.5892 -0.5892 -0.5892 0.1024 0.1024 0.1024 0.1024 0.2443 0.2443 0.2443 0.2443 0.5760 0.5760 0.5760 0.5760 4.8302 4.8302 4.8302 4.8302 5.2752 5.2752 5.2752 5.2752 5.8493 5.8493 5.8493 5.8493 6.3472 6.3472 6.3472 6.3472 6.4293 6.4293 6.4293 6.4293 6.9040 6.9040 6.9040 6.9040 7.0500 7.0500 7.0500 7.0500 7.1872 7.1872 7.1872 7.1872 7.3996 7.3996 7.3996 7.3996 8.6052 8.6052 8.6052 8.6052 8.7883 8.7883 8.7883 8.7883 9.0982 9.0982 9.0982 9.0982 9.3680 9.3680 9.3680 9.3680 9.5126 9.5126 9.5126 9.5126 9.5797 9.5797 9.5797 9.5797 10.8186 10.8186 10.8186 10.8186 11.1093 11.1093 11.1093 11.1093 11.1569 11.1569 11.1569 11.1569 11.3389 11.3389 11.3389 11.3389 11.5161 11.5161 11.5162 11.5162 k = 0.3846 0.4885 0.7279 ( 14502 PWs) bands (ev): -0.5850 -0.5850 -0.5850 -0.5850 0.1117 0.1117 0.1117 0.1117 0.2246 0.2246 0.2246 0.2246 0.5797 0.5797 0.5797 0.5797 4.8668 4.8668 4.8668 4.8668 5.2252 5.2252 5.2252 5.2252 5.8521 5.8521 5.8521 5.8521 6.3672 6.3672 6.3672 6.3672 6.4443 6.4443 6.4443 6.4443 6.9136 6.9136 6.9136 6.9136 7.0482 7.0482 7.0482 7.0482 7.1897 7.1897 7.1897 7.1897 7.3539 7.3539 7.3539 7.3539 8.6436 8.6436 8.6436 8.6436 8.7820 8.7820 8.7820 8.7820 9.0890 9.0890 9.0890 9.0890 9.3799 9.3799 9.3799 9.3799 9.4943 9.4943 9.4943 9.4943 9.5607 9.5607 9.5607 9.5607 10.8529 10.8529 10.8529 10.8529 11.1213 11.1213 11.1213 11.1213 11.1713 11.1713 11.1713 11.1713 11.3460 11.3460 11.3460 11.3460 11.4876 11.4876 11.4876 11.4876 k = 0.3718 0.5107 0.7279 ( 14488 PWs) bands (ev): -0.5812 -0.5812 -0.5812 -0.5812 0.1219 0.1219 0.1219 0.1219 0.2056 0.2056 0.2056 0.2056 0.5826 0.5826 0.5826 0.5826 4.9055 4.9055 4.9055 4.9055 5.1765 5.1765 5.1765 5.1765 5.8555 5.8555 5.8555 5.8555 6.3821 6.3821 6.3821 6.3821 6.4562 6.4562 6.4562 6.4562 6.9256 6.9256 6.9256 6.9256 7.0448 7.0448 7.0448 7.0448 7.1915 7.1915 7.1915 7.1915 7.3151 7.3151 7.3151 7.3151 8.6768 8.6768 8.6768 8.6768 8.7757 8.7757 8.7757 8.7757 9.0808 9.0808 9.0808 9.0808 9.3938 9.3938 9.3938 9.3938 9.4777 9.4777 9.4777 9.4777 9.5423 9.5423 9.5423 9.5423 10.8830 10.8830 10.8830 10.8830 11.1304 11.1304 11.1304 11.1304 11.1850 11.1850 11.1850 11.1850 11.3515 11.3515 11.3515 11.3515 11.4591 11.4591 11.4591 11.4591 k = 0.3590 0.5329 0.7279 ( 14470 PWs) bands (ev): -0.5781 -0.5781 -0.5781 -0.5781 0.1330 0.1330 0.1330 0.1330 0.1877 0.1877 0.1877 0.1877 0.5846 0.5846 0.5846 0.5846 4.9455 4.9455 4.9455 4.9455 5.1299 5.1299 5.1299 5.1299 5.8588 5.8588 5.8588 5.8588 6.3925 6.3925 6.3925 6.3925 6.4640 6.4640 6.4640 6.4640 6.9380 6.9380 6.9380 6.9380 7.0403 7.0403 7.0403 7.0403 7.1920 7.1920 7.1920 7.1920 7.2864 7.2864 7.2864 7.2864 8.7028 8.7028 8.7028 8.7028 8.7699 8.7699 8.7699 8.7699 9.0744 9.0744 9.0744 9.0744 9.4096 9.4096 9.4096 9.4096 9.4631 9.4631 9.4631 9.4631 9.5254 9.5254 9.5254 9.5254 10.9060 10.9060 10.9060 10.9060 11.1403 11.1403 11.1403 11.1403 11.1934 11.1934 11.1934 11.1934 11.3531 11.3531 11.3531 11.3531 11.4366 11.4366 11.4366 11.4366 k = 0.3462 0.5551 0.7279 ( 14458 PWs) bands (ev): -0.5760 -0.5760 -0.5760 -0.5760 0.1448 0.1448 0.1448 0.1448 0.1715 0.1715 0.1715 0.1715 0.5858 0.5858 0.5858 0.5858 4.9843 4.9843 4.9843 4.9843 5.0874 5.0874 5.0874 5.0874 5.8616 5.8616 5.8616 5.8616 6.3986 6.3986 6.3986 6.3986 6.4677 6.4677 6.4677 6.4677 6.9479 6.9479 6.9479 6.9479 7.0361 7.0361 7.0361 7.0361 7.1908 7.1908 7.1908 7.1908 7.2701 7.2701 7.2701 7.2701 8.7190 8.7190 8.7190 8.7190 8.7663 8.7663 8.7663 8.7663 9.0705 9.0705 9.0705 9.0705 9.4263 9.4263 9.4263 9.4263 9.4505 9.4505 9.4505 9.4505 9.5115 9.5115 9.5115 9.5115 10.9198 10.9198 10.9198 10.9198 11.1547 11.1547 11.1547 11.1547 11.1915 11.1915 11.1915 11.1915 11.3502 11.3502 11.3502 11.3502 11.4259 11.4259 11.4259 11.4259 k = 0.3333 0.5774 0.7279 ( 14460 PWs) bands (ev): -0.5753 -0.5753 -0.5753 -0.5753 0.1559 0.1559 0.1559 0.1559 0.1588 0.1588 0.1588 0.1588 0.5862 0.5862 0.5862 0.5862 5.0078 5.0078 5.0078 5.0078 5.0627 5.0627 5.0627 5.0627 5.8627 5.8627 5.8627 5.8627 6.4006 6.4006 6.4006 6.4006 6.4686 6.4686 6.4686 6.4686 6.9517 6.9517 6.9517 6.9517 7.0345 7.0345 7.0345 7.0345 7.1896 7.1896 7.1896 7.1896 7.2653 7.2653 7.2653 7.2653 8.7240 8.7240 8.7240 8.7240 8.7655 8.7655 8.7655 8.7655 9.0692 9.0692 9.0692 9.0692 9.4389 9.4389 9.4389 9.4389 9.4409 9.4409 9.4409 9.4409 9.5050 9.5050 9.5050 9.5050 10.9240 10.9240 10.9240 10.9240 11.1743 11.1743 11.1743 11.1743 11.1762 11.1762 11.1762 11.1762 11.3480 11.3480 11.3480 11.3480 11.4240 11.4240 11.4240 11.4241 k = 0.3333 0.5774 0.7279 ( 14460 PWs) bands (ev): -0.5753 -0.5753 -0.5753 -0.5753 0.1559 0.1559 0.1559 0.1559 0.1588 0.1588 0.1588 0.1588 0.5862 0.5862 0.5862 0.5862 5.0078 5.0078 5.0078 5.0078 5.0627 5.0627 5.0627 5.0627 5.8627 5.8627 5.8627 5.8627 6.4006 6.4006 6.4006 6.4006 6.4686 6.4686 6.4686 6.4686 6.9517 6.9517 6.9517 6.9517 7.0345 7.0345 7.0345 7.0345 7.1896 7.1896 7.1896 7.1896 7.2653 7.2653 7.2653 7.2653 8.7240 8.7240 8.7240 8.7240 8.7655 8.7655 8.7655 8.7655 9.0692 9.0692 9.0692 9.0692 9.4389 9.4389 9.4389 9.4389 9.4409 9.4409 9.4409 9.4409 9.5050 9.5050 9.5050 9.5050 10.9240 10.9240 10.9240 10.9240 11.1743 11.1743 11.1743 11.1743 11.1762 11.1762 11.1762 11.1762 11.3480 11.3480 11.3480 11.3480 11.4240 11.4240 11.4240 11.4240 k = 0.3200 0.5543 0.7279 ( 14456 PWs) bands (ev): -0.5762 -0.5762 -0.5762 -0.5762 0.1454 0.1454 0.1454 0.1454 0.1711 0.1711 0.1711 0.1711 0.5858 0.5858 0.5858 0.5858 4.9839 4.9839 4.9839 4.9839 5.0877 5.0877 5.0877 5.0877 5.8610 5.8610 5.8610 5.8610 6.3984 6.3984 6.3984 6.3984 6.4686 6.4686 6.4686 6.4686 6.9480 6.9480 6.9480 6.9480 7.0357 7.0357 7.0357 7.0357 7.1920 7.1920 7.1920 7.1920 7.2692 7.2692 7.2692 7.2692 8.7205 8.7205 8.7205 8.7205 8.7646 8.7646 8.7646 8.7646 9.0703 9.0703 9.0703 9.0703 9.4309 9.4309 9.4309 9.4309 9.4430 9.4430 9.4430 9.4430 9.5145 9.5145 9.5145 9.5145 10.9205 10.9205 10.9205 10.9205 11.1445 11.1445 11.1445 11.1445 11.2021 11.2021 11.2021 11.2021 11.3506 11.3506 11.3506 11.3506 11.4240 11.4240 11.4241 11.4241 k = 0.3067 0.5312 0.7279 ( 14468 PWs) bands (ev): -0.5792 -0.5792 -0.5792 -0.5792 0.1368 0.1368 0.1368 0.1368 0.1853 0.1853 0.1853 0.1853 0.5846 0.5846 0.5846 0.5846 4.9466 4.9466 4.9466 4.9466 5.1274 5.1274 5.1274 5.1274 5.8550 5.8550 5.8550 5.8550 6.3918 6.3918 6.3918 6.3918 6.4709 6.4709 6.4709 6.4709 6.9393 6.9393 6.9393 6.9393 7.0369 7.0369 7.0369 7.0369 7.2000 7.2000 7.2000 7.2000 7.2791 7.2791 7.2791 7.2791 8.7126 8.7126 8.7126 8.7126 8.7599 8.7599 8.7599 8.7599 9.0729 9.0729 9.0729 9.0729 9.4238 9.4238 9.4238 9.4238 9.4359 9.4359 9.4359 9.4359 9.5399 9.5399 9.5399 9.5399 10.9121 10.9121 10.9121 10.9121 11.1048 11.1048 11.1048 11.1048 11.2322 11.2322 11.2322 11.2322 11.3566 11.3566 11.3566 11.3566 11.4238 11.4238 11.4238 11.4238 k = 0.2933 0.5081 0.7279 ( 14506 PWs) bands (ev): -0.5843 -0.5843 -0.5843 -0.5843 0.1317 0.1317 0.1317 0.1317 0.2000 0.2000 0.2000 0.2000 0.5828 0.5828 0.5828 0.5828 4.9099 4.9099 4.9099 4.9099 5.1670 5.1670 5.1670 5.1670 5.8439 5.8439 5.8439 5.8439 6.3808 6.3808 6.3808 6.3808 6.4785 6.4785 6.4785 6.4785 6.9285 6.9285 6.9285 6.9285 7.0356 7.0356 7.0356 7.0356 7.2133 7.2133 7.2133 7.2133 7.2933 7.2933 7.2933 7.2933 8.7025 8.7025 8.7025 8.7025 8.7503 8.7503 8.7503 8.7503 9.0757 9.0757 9.0757 9.0757 9.4172 9.4172 9.4172 9.4172 9.4263 9.4263 9.4263 9.4263 9.5744 9.5744 9.5744 9.5744 10.9018 10.9018 10.9018 10.9018 11.0608 11.0608 11.0608 11.0608 11.2631 11.2631 11.2631 11.2631 11.3630 11.3630 11.3630 11.3630 11.4246 11.4246 11.4246 11.4246 k = 0.2800 0.4850 0.7279 ( 14506 PWs) bands (ev): -0.5918 -0.5918 -0.5918 -0.5918 0.1303 0.1303 0.1303 0.1303 0.2151 0.2151 0.2151 0.2151 0.5803 0.5803 0.5803 0.5803 4.8756 4.8756 4.8756 4.8756 5.2036 5.2036 5.2036 5.2036 5.8277 5.8277 5.8277 5.8277 6.3659 6.3659 6.3659 6.3659 6.4937 6.4937 6.4937 6.4937 6.9167 6.9167 6.9167 6.9167 7.0315 7.0315 7.0315 7.0315 7.2305 7.2305 7.2305 7.2305 7.3109 7.3109 7.3109 7.3109 8.6906 8.6906 8.6906 8.6906 8.7369 8.7369 8.7369 8.7369 9.0777 9.0777 9.0777 9.0777 9.4088 9.4088 9.4088 9.4088 9.4192 9.4192 9.4192 9.4192 9.6148 9.6148 9.6148 9.6148 10.8914 10.8914 10.8914 10.8914 11.0157 11.0157 11.0157 11.0157 11.2923 11.2923 11.2923 11.2923 11.3678 11.3678 11.3678 11.3678 11.4281 11.4281 11.4281 11.4281 k = 0.2667 0.4619 0.7279 ( 14502 PWs) bands (ev): -0.6016 -0.6016 -0.6016 -0.6016 0.1327 0.1327 0.1327 0.1327 0.2304 0.2304 0.2304 0.2304 0.5773 0.5773 0.5773 0.5773 4.8440 4.8440 4.8440 4.8440 5.2350 5.2350 5.2350 5.2350 5.8080 5.8080 5.8080 5.8080 6.3479 6.3479 6.3479 6.3479 6.5174 6.5174 6.5174 6.5174 6.9037 6.9037 6.9037 6.9037 7.0252 7.0252 7.0252 7.0252 7.2502 7.2502 7.2502 7.2502 7.3313 7.3313 7.3313 7.3313 8.6763 8.6763 8.6763 8.6763 8.7213 8.7213 8.7213 8.7213 9.0781 9.0781 9.0781 9.0781 9.3988 9.3988 9.3988 9.3988 9.4148 9.4148 9.4148 9.4148 9.6598 9.6598 9.6598 9.6598 10.8815 10.8815 10.8815 10.8815 10.9718 10.9718 10.9718 10.9718 11.3172 11.3172 11.3172 11.3172 11.3705 11.3705 11.3705 11.3705 11.4362 11.4362 11.4362 11.4362 k = 0.2533 0.4388 0.7279 ( 14518 PWs) bands (ev): -0.6135 -0.6135 -0.6135 -0.6135 0.1386 0.1386 0.1386 0.1386 0.2458 0.2458 0.2458 0.2458 0.5738 0.5738 0.5738 0.5738 4.8155 4.8155 4.8155 4.8155 5.2588 5.2588 5.2588 5.2588 5.7877 5.7877 5.7877 5.7877 6.3275 6.3275 6.3275 6.3275 6.5494 6.5494 6.5494 6.5494 6.8888 6.8888 6.8888 6.8888 7.0174 7.0174 7.0174 7.0174 7.2716 7.2716 7.2716 7.2716 7.3539 7.3539 7.3539 7.3539 8.6580 8.6580 8.6580 8.6580 8.7055 8.7055 8.7055 8.7055 9.0766 9.0766 9.0766 9.0766 9.3891 9.3891 9.3891 9.3891 9.4112 9.4112 9.4112 9.4112 9.7087 9.7087 9.7087 9.7087 10.8709 10.8709 10.8709 10.8709 10.9326 10.9326 10.9326 10.9326 11.3344 11.3344 11.3344 11.3344 11.3722 11.3722 11.3722 11.3722 11.4509 11.4509 11.4509 11.4509 k = 0.2400 0.4157 0.7279 ( 14538 PWs) bands (ev): -0.6272 -0.6272 -0.6272 -0.6272 0.1479 0.1479 0.1479 0.1479 0.2613 0.2613 0.2613 0.2613 0.5698 0.5698 0.5698 0.5698 4.7900 4.7900 4.7900 4.7900 5.2721 5.2721 5.2721 5.2721 5.7709 5.7709 5.7709 5.7709 6.3054 6.3054 6.3054 6.3054 6.5886 6.5886 6.5886 6.5886 6.8713 6.8713 6.8713 6.8713 7.0089 7.0089 7.0089 7.0089 7.2944 7.2944 7.2944 7.2944 7.3784 7.3784 7.3784 7.3784 8.6348 8.6348 8.6348 8.6348 8.6913 8.6913 8.6913 8.6913 9.0732 9.0732 9.0732 9.0732 9.3803 9.3803 9.3803 9.3803 9.4074 9.4074 9.4074 9.4074 9.7607 9.7607 9.7607 9.7607 10.8542 10.8542 10.8542 10.8542 10.9052 10.9052 10.9052 10.9052 11.3413 11.3413 11.3413 11.3413 11.3742 11.3742 11.3742 11.3742 11.4734 11.4734 11.4734 11.4734 k = 0.2267 0.3926 0.7279 ( 14526 PWs) bands (ev): -0.6424 -0.6424 -0.6424 -0.6424 0.1602 0.1602 0.1602 0.1602 0.2767 0.2767 0.2767 0.2767 0.5656 0.5656 0.5656 0.5656 4.7678 4.7678 4.7678 4.7678 5.2725 5.2725 5.2725 5.2725 5.7618 5.7618 5.7618 5.7618 6.2819 6.2819 6.2819 6.2819 6.6333 6.6333 6.6333 6.6333 6.8514 6.8514 6.8514 6.8514 6.9998 6.9998 6.9998 6.9998 7.3182 7.3182 7.3182 7.3182 7.4048 7.4048 7.4048 7.4048 8.6067 8.6067 8.6067 8.6067 8.6789 8.6789 8.6789 8.6789 9.0680 9.0680 9.0680 9.0680 9.3725 9.3725 9.3725 9.3725 9.4031 9.4031 9.4031 9.4031 9.8147 9.8147 9.8147 9.8147 10.8275 10.8275 10.8275 10.8275 10.8943 10.8943 10.8943 10.8943 11.3406 11.3406 11.3406 11.3406 11.3750 11.3750 11.3750 11.3750 11.5032 11.5032 11.5032 11.5032 k = 0.2133 0.3695 0.7279 ( 14526 PWs) bands (ev): -0.6588 -0.6588 -0.6588 -0.6588 0.1751 0.1751 0.1751 0.1751 0.2920 0.2920 0.2920 0.2920 0.5611 0.5611 0.5611 0.5611 4.7486 4.7486 4.7486 4.7486 5.2587 5.2587 5.2587 5.2587 5.7631 5.7631 5.7631 5.7631 6.2576 6.2576 6.2576 6.2576 6.6808 6.6808 6.6808 6.6808 6.8302 6.8302 6.8302 6.8302 6.9900 6.9900 6.9900 6.9900 7.3426 7.3426 7.3426 7.3426 7.4333 7.4333 7.4333 7.4333 8.5745 8.5745 8.5745 8.5745 8.6679 8.6679 8.6679 8.6679 9.0612 9.0612 9.0612 9.0612 9.3657 9.3657 9.3657 9.3657 9.3981 9.3981 9.3981 9.3981 9.8696 9.8696 9.8696 9.8696 10.7987 10.7987 10.7987 10.7987 10.8935 10.8935 10.8935 10.8935 11.3362 11.3362 11.3362 11.3362 11.3723 11.3723 11.3723 11.3723 11.5387 11.5387 11.5387 11.5387 k = 0.2000 0.3464 0.7279 ( 14518 PWs) bands (ev): -0.6760 -0.6760 -0.6760 -0.6760 0.1922 0.1922 0.1922 0.1922 0.3069 0.3069 0.3069 0.3069 0.5564 0.5564 0.5564 0.5564 4.7326 4.7326 4.7326 4.7326 5.2319 5.2319 5.2319 5.2319 5.7752 5.7752 5.7752 5.7752 6.2326 6.2326 6.2326 6.2326 6.7239 6.7239 6.7239 6.7239 6.8139 6.8139 6.8139 6.8139 6.9794 6.9794 6.9794 6.9794 7.3669 7.3669 7.3669 7.3669 7.4646 7.4646 7.4646 7.4646 8.5392 8.5392 8.5392 8.5392 8.6577 8.6577 8.6577 8.6577 9.0528 9.0528 9.0528 9.0528 9.3601 9.3601 9.3601 9.3601 9.3926 9.3926 9.3926 9.3926 9.9237 9.9237 9.9237 9.9237 10.7737 10.7737 10.7737 10.7737 10.8976 10.8976 10.8976 10.8976 11.3305 11.3305 11.3305 11.3305 11.3658 11.3658 11.3658 11.3658 11.5784 11.5784 11.5784 11.5784 k = 0.1867 0.3233 0.7279 ( 14524 PWs) bands (ev): -0.6936 -0.6936 -0.6936 -0.6936 0.2110 0.2110 0.2110 0.2110 0.3214 0.3214 0.3214 0.3214 0.5516 0.5516 0.5516 0.5516 4.7196 4.7196 4.7196 4.7196 5.1949 5.1949 5.1949 5.1949 5.7966 5.7966 5.7966 5.7966 6.2073 6.2073 6.2073 6.2073 6.7382 6.7382 6.7382 6.7382 6.8256 6.8256 6.8256 6.8256 6.9678 6.9678 6.9678 6.9678 7.3904 7.3904 7.3904 7.3904 7.4994 7.4994 7.4994 7.4994 8.5016 8.5016 8.5016 8.5016 8.6481 8.6481 8.6481 8.6481 9.0428 9.0428 9.0428 9.0428 9.3554 9.3554 9.3554 9.3554 9.3868 9.3868 9.3868 9.3868 9.9753 9.9753 9.9753 9.9753 10.7557 10.7557 10.7557 10.7557 10.9052 10.9052 10.9052 10.9052 11.3236 11.3236 11.3236 11.3236 11.3563 11.3563 11.3563 11.3563 11.6211 11.6211 11.6211 11.6212 k = 0.1733 0.3002 0.7279 ( 14512 PWs) bands (ev): -0.7113 -0.7113 -0.7113 -0.7113 0.2311 0.2311 0.2311 0.2311 0.3354 0.3354 0.3354 0.3354 0.5466 0.5466 0.5466 0.5466 4.7095 4.7095 4.7095 4.7095 5.1510 5.1510 5.1510 5.1510 5.8249 5.8249 5.8249 5.8249 6.1819 6.1819 6.1819 6.1819 6.7197 6.7197 6.7197 6.7197 6.8671 6.8671 6.8671 6.8671 6.9568 6.9568 6.9568 6.9568 7.4124 7.4124 7.4124 7.4124 7.5380 7.5380 7.5380 7.5380 8.4625 8.4625 8.4625 8.4625 8.6388 8.6388 8.6388 8.6388 9.0312 9.0312 9.0312 9.0312 9.3515 9.3515 9.3515 9.3515 9.3808 9.3808 9.3808 9.3808 10.0221 10.0221 10.0221 10.0221 10.7466 10.7466 10.7466 10.7466 10.9154 10.9154 10.9154 10.9154 11.3140 11.3140 11.3140 11.3140 11.3467 11.3467 11.3467 11.3467 11.6656 11.6657 11.6657 11.6657 k = 0.1600 0.2771 0.7279 ( 14520 PWs) bands (ev): -0.7287 -0.7287 -0.7287 -0.7287 0.2521 0.2521 0.2521 0.2521 0.3488 0.3488 0.3488 0.3488 0.5417 0.5417 0.5417 0.5417 4.7021 4.7021 4.7021 4.7021 5.1032 5.1032 5.1032 5.1032 5.8579 5.8579 5.8579 5.8579 6.1571 6.1571 6.1571 6.1571 6.6921 6.6921 6.6921 6.6921 6.9023 6.9023 6.9023 6.9023 6.9584 6.9584 6.9584 6.9584 7.4324 7.4324 7.4324 7.4324 7.5802 7.5802 7.5802 7.5802 8.4230 8.4230 8.4230 8.4230 8.6299 8.6299 8.6299 8.6299 9.0177 9.0177 9.0177 9.0177 9.3485 9.3485 9.3485 9.3485 9.3750 9.3750 9.3750 9.3750 10.0621 10.0621 10.0621 10.0621 10.7481 10.7481 10.7481 10.7481 10.9276 10.9276 10.9276 10.9276 11.2989 11.2989 11.2989 11.2989 11.3409 11.3409 11.3409 11.3409 11.7100 11.7101 11.7101 11.7102 k = 0.1467 0.2540 0.7279 ( 14518 PWs) bands (ev): -0.7457 -0.7457 -0.7457 -0.7457 0.2734 0.2734 0.2734 0.2734 0.3615 0.3615 0.3615 0.3615 0.5367 0.5367 0.5367 0.5367 4.6973 4.6973 4.6973 4.6973 5.0538 5.0538 5.0538 5.0538 5.8934 5.8934 5.8934 5.8934 6.1335 6.1335 6.1335 6.1335 6.6625 6.6625 6.6625 6.6625 6.8999 6.8999 6.8999 6.8999 6.9966 6.9966 6.9966 6.9966 7.4505 7.4505 7.4505 7.4505 7.6248 7.6248 7.6248 7.6248 8.3846 8.3846 8.3846 8.3846 8.6213 8.6213 8.6213 8.6213 9.0020 9.0020 9.0020 9.0020 9.3461 9.3461 9.3461 9.3461 9.3695 9.3695 9.3695 9.3695 10.0937 10.0937 10.0937 10.0937 10.7611 10.7611 10.7611 10.7611 10.9415 10.9415 10.9415 10.9415 11.2783 11.2783 11.2783 11.2783 11.3403 11.3403 11.3403 11.3403 11.7512 11.7512 11.7514 11.7514 k = 0.1333 0.2309 0.7279 ( 14514 PWs) bands (ev): -0.7618 -0.7618 -0.7618 -0.7618 0.2948 0.2948 0.2948 0.2948 0.3734 0.3734 0.3734 0.3734 0.5318 0.5318 0.5318 0.5318 4.6947 4.6947 4.6947 4.6947 5.0047 5.0047 5.0047 5.0047 5.9289 5.9289 5.9289 5.9289 6.1128 6.1128 6.1128 6.1128 6.6331 6.6331 6.6331 6.6331 6.8808 6.8808 6.8808 6.8808 7.0483 7.0483 7.0483 7.0483 7.4668 7.4668 7.4668 7.4668 7.6697 7.6697 7.6697 7.6697 8.3490 8.3490 8.3490 8.3490 8.6131 8.6131 8.6131 8.6131 8.9840 8.9840 8.9840 8.9840 9.3441 9.3441 9.3441 9.3441 9.3647 9.3647 9.3647 9.3647 10.1163 10.1163 10.1163 10.1163 10.7852 10.7852 10.7852 10.7852 10.9566 10.9566 10.9566 10.9566 11.2538 11.2538 11.2538 11.2538 11.3442 11.3442 11.3442 11.3442 11.7851 11.7851 11.7851 11.7851 k = 0.1200 0.2078 0.7279 ( 14510 PWs) bands (ev): -0.7770 -0.7770 -0.7770 -0.7770 0.3158 0.3158 0.3158 0.3158 0.3844 0.3844 0.3844 0.3844 0.5270 0.5270 0.5270 0.5270 4.6940 4.6940 4.6940 4.6940 4.9573 4.9573 4.9573 4.9573 5.9601 5.9601 5.9601 5.9601 6.0988 6.0988 6.0988 6.0988 6.6049 6.6049 6.6049 6.6049 6.8563 6.8563 6.8563 6.8563 7.1018 7.1018 7.1018 7.1018 7.4812 7.4812 7.4812 7.4812 7.7121 7.7121 7.7121 7.7121 8.3191 8.3191 8.3191 8.3191 8.6054 8.6054 8.6054 8.6054 8.9631 8.9631 8.9631 8.9631 9.3426 9.3426 9.3426 9.3426 9.3606 9.3606 9.3606 9.3606 10.1303 10.1303 10.1303 10.1303 10.8188 10.8188 10.8188 10.8188 10.9722 10.9722 10.9722 10.9722 11.2272 11.2272 11.2272 11.2272 11.3526 11.3526 11.3526 11.3526 11.7864 11.7864 11.7864 11.7864 k = 0.1067 0.1848 0.7279 ( 14506 PWs) bands (ev): -0.7911 -0.7911 -0.7911 -0.7911 0.3360 0.3360 0.3360 0.3360 0.3945 0.3945 0.3945 0.3945 0.5222 0.5222 0.5222 0.5222 4.6949 4.6949 4.6949 4.6949 4.9126 4.9126 4.9126 4.9126 5.9788 5.9788 5.9788 5.9788 6.0990 6.0990 6.0990 6.0990 6.5789 6.5789 6.5789 6.5789 6.8284 6.8284 6.8284 6.8284 7.1548 7.1548 7.1548 7.1548 7.4939 7.4939 7.4939 7.4939 7.7476 7.7476 7.7476 7.7476 8.2985 8.2985 8.2985 8.2985 8.5983 8.5983 8.5983 8.5983 8.9391 8.9391 8.9391 8.9391 9.3413 9.3413 9.3413 9.3413 9.3574 9.3574 9.3574 9.3574 10.1374 10.1374 10.1374 10.1374 10.8587 10.8587 10.8587 10.8587 10.9879 10.9879 10.9879 10.9879 11.1998 11.1998 11.1998 11.1998 11.3658 11.3658 11.3658 11.3658 11.7576 11.7576 11.7576 11.7576 k = 0.0933 0.1617 0.7279 ( 14514 PWs) bands (ev): -0.8038 -0.8038 -0.8038 -0.8038 0.3553 0.3553 0.3553 0.3553 0.4035 0.4035 0.4035 0.4035 0.5174 0.5174 0.5174 0.5174 4.6968 4.6968 4.6968 4.6968 4.8717 4.8717 4.8717 4.8717 5.9795 5.9795 5.9795 5.9795 6.1190 6.1190 6.1190 6.1190 6.5558 6.5558 6.5558 6.5558 6.7977 6.7977 6.7977 6.7977 7.2071 7.2071 7.2071 7.2071 7.5051 7.5051 7.5051 7.5051 7.7714 7.7714 7.7714 7.7714 8.2914 8.2914 8.2914 8.2914 8.5919 8.5919 8.5919 8.5919 8.9118 8.9118 8.9118 8.9118 9.3402 9.3402 9.3402 9.3402 9.3550 9.3550 9.3550 9.3550 10.1393 10.1393 10.1393 10.1393 10.9010 10.9010 10.9010 10.9010 11.0030 11.0030 11.0030 11.0030 11.1727 11.1727 11.1727 11.1727 11.3846 11.3846 11.3846 11.3846 11.7302 11.7302 11.7302 11.7302 k = 0.0800 0.1386 0.7279 ( 14510 PWs) bands (ev): -0.8151 -0.8151 -0.8151 -0.8151 0.3731 0.3731 0.3731 0.3731 0.4115 0.4115 0.4115 0.4115 0.5128 0.5128 0.5128 0.5128 4.6994 4.6994 4.6994 4.6994 4.8354 4.8354 4.8354 4.8354 5.9686 5.9686 5.9686 5.9686 6.1517 6.1517 6.1517 6.1517 6.5361 6.5361 6.5361 6.5361 6.7646 6.7646 6.7646 6.7646 7.2584 7.2584 7.2584 7.2584 7.5146 7.5146 7.5146 7.5146 7.7800 7.7800 7.7800 7.7800 8.3007 8.3007 8.3007 8.3007 8.5863 8.5863 8.5863 8.5863 8.8808 8.8808 8.8808 8.8808 9.3392 9.3392 9.3392 9.3392 9.3534 9.3534 9.3534 9.3534 10.1379 10.1379 10.1379 10.1379 10.9415 10.9415 10.9415 10.9415 11.0172 11.0172 11.0172 11.0172 11.1476 11.1476 11.1476 11.1476 11.4100 11.4100 11.4100 11.4100 11.7088 11.7088 11.7088 11.7088 k = 0.0667 0.1155 0.7279 ( 14520 PWs) bands (ev): -0.8248 -0.8248 -0.8248 -0.8248 0.3893 0.3893 0.3893 0.3893 0.4183 0.4183 0.4183 0.4183 0.5083 0.5083 0.5083 0.5083 4.7019 4.7019 4.7019 4.7019 4.8044 4.8044 4.8044 4.8044 5.9540 5.9540 5.9540 5.9540 6.1890 6.1890 6.1890 6.1890 6.5208 6.5208 6.5208 6.5208 6.7295 6.7295 6.7295 6.7295 7.3087 7.3087 7.3087 7.3087 7.5225 7.5225 7.5225 7.5225 7.7726 7.7726 7.7726 7.7726 8.3261 8.3261 8.3261 8.3261 8.5817 8.5817 8.5817 8.5817 8.8460 8.8460 8.8460 8.8460 9.3384 9.3384 9.3384 9.3384 9.3523 9.3523 9.3523 9.3523 10.1347 10.1347 10.1347 10.1347 10.9755 10.9755 10.9755 10.9755 11.0305 11.0305 11.0305 11.0305 11.1263 11.1263 11.1263 11.1263 11.4430 11.4430 11.4430 11.4430 11.6941 11.6941 11.6941 11.6941 k = 0.0533 0.0924 0.7279 ( 14522 PWs) bands (ev): -0.8328 -0.8328 -0.8328 -0.8328 0.4036 0.4036 0.4036 0.4036 0.4241 0.4241 0.4241 0.4241 0.5039 0.5039 0.5039 0.5039 4.7035 4.7035 4.7035 4.7035 4.7795 4.7795 4.7795 4.7795 5.9395 5.9395 5.9395 5.9395 6.2262 6.2262 6.2262 6.2262 6.5107 6.5107 6.5107 6.5107 6.6932 6.6932 6.6932 6.6932 7.3579 7.3579 7.3579 7.3579 7.5286 7.5286 7.5286 7.5286 7.7522 7.7522 7.7522 7.7522 8.3641 8.3641 8.3641 8.3641 8.5786 8.5786 8.5786 8.5786 8.8075 8.8075 8.8075 8.8075 9.3378 9.3378 9.3378 9.3378 9.3517 9.3517 9.3517 9.3517 10.1307 10.1307 10.1307 10.1307 10.9979 10.9979 10.9979 10.9979 11.0438 11.0438 11.0438 11.0438 11.1114 11.1114 11.1114 11.1114 11.4839 11.4839 11.4839 11.4839 11.6856 11.6856 11.6856 11.6856 k = 0.0400 0.0693 0.7279 ( 14530 PWs) bands (ev): -0.8392 -0.8392 -0.8392 -0.8392 0.4155 0.4155 0.4155 0.4155 0.4286 0.4286 0.4286 0.4286 0.4997 0.4997 0.4997 0.4997 4.7035 4.7035 4.7035 4.7035 4.7617 4.7617 4.7617 4.7617 5.9270 5.9270 5.9270 5.9270 6.2599 6.2599 6.2599 6.2599 6.5072 6.5072 6.5072 6.5072 6.6563 6.6563 6.6563 6.6563 7.4054 7.4054 7.4054 7.4054 7.5329 7.5329 7.5329 7.5329 7.7234 7.7234 7.7234 7.7234 8.4090 8.4090 8.4090 8.4090 8.5776 8.5776 8.5776 8.5776 8.7658 8.7658 8.7658 8.7658 9.3374 9.3374 9.3374 9.3374 9.3513 9.3513 9.3513 9.3513 10.1270 10.1270 10.1270 10.1270 11.0071 11.0071 11.0071 11.0071 11.0557 11.0557 11.0557 11.0557 11.1050 11.1050 11.1050 11.1050 11.5320 11.5320 11.5320 11.5320 11.6821 11.6821 11.6821 11.6821 k = 0.0267 0.0462 0.7279 ( 14522 PWs) bands (ev): -0.8437 -0.8437 -0.8437 -0.8437 0.4246 0.4246 0.4246 0.4246 0.4322 0.4322 0.4322 0.4322 0.4961 0.4961 0.4961 0.4961 4.7015 4.7015 4.7015 4.7015 4.7509 4.7509 4.7509 4.7509 5.9174 5.9174 5.9174 5.9174 6.2869 6.2869 6.2869 6.2869 6.5116 6.5116 6.5116 6.5116 6.6202 6.6202 6.6202 6.6202 7.4500 7.4500 7.4500 7.4500 7.5345 7.5345 7.5345 7.5345 7.6913 7.6913 7.6913 7.6913 8.4541 8.4541 8.4541 8.4541 8.5807 8.5807 8.5807 8.5807 8.7218 8.7218 8.7218 8.7218 9.3371 9.3371 9.3371 9.3371 9.3512 9.3512 9.3512 9.3512 10.1239 10.1239 10.1239 10.1239 11.0078 11.0078 11.0078 11.0078 11.0633 11.0633 11.0633 11.0633 11.1062 11.1062 11.1062 11.1062 11.5856 11.5856 11.5856 11.5856 11.6818 11.6818 11.6818 11.6818 k = 0.0133 0.0231 0.7279 ( 14522 PWs) bands (ev): -0.8465 -0.8465 -0.8465 -0.8465 0.4298 0.4298 0.4298 0.4298 0.4350 0.4350 0.4350 0.4350 0.4935 0.4935 0.4935 0.4935 4.6990 4.6990 4.6990 4.6990 4.7459 4.7459 4.7459 4.7459 5.9114 5.9114 5.9114 5.9114 6.3044 6.3044 6.3044 6.3044 6.5242 6.5242 6.5242 6.5242 6.5874 6.5874 6.5874 6.5874 7.4888 7.4888 7.4888 7.4888 7.5316 7.5316 7.5316 7.5316 7.6631 7.6631 7.6631 7.6631 8.4892 8.4892 8.4892 8.4892 8.5918 8.5918 8.5918 8.5918 8.6790 8.6790 8.6790 8.6790 9.3369 9.3369 9.3369 9.3369 9.3511 9.3511 9.3511 9.3511 10.1219 10.1219 10.1219 10.1219 11.0058 11.0058 11.0058 11.0058 11.0668 11.0668 11.0668 11.0668 11.1097 11.1097 11.1097 11.1097 11.6408 11.6408 11.6408 11.6408 11.6826 11.6826 11.6826 11.6826 k = 0.0000 0.0000 0.7279 ( 14520 PWs) bands (ev): -0.8474 -0.8474 -0.8474 -0.8474 0.4314 0.4314 0.4314 0.4314 0.4362 0.4362 0.4362 0.4362 0.4926 0.4926 0.4926 0.4926 4.6978 4.6978 4.6978 4.6978 4.7445 4.7445 4.7445 4.7445 5.9094 5.9094 5.9094 5.9094 6.3104 6.3104 6.3104 6.3104 6.5361 6.5361 6.5361 6.5361 6.5686 6.5686 6.5686 6.5686 7.5122 7.5122 7.5122 7.5122 7.5228 7.5228 7.5228 7.5228 7.6508 7.6508 7.6508 7.6508 8.5024 8.5024 8.5024 8.5024 8.6055 8.6055 8.6055 8.6055 8.6534 8.6534 8.6534 8.6534 9.3369 9.3369 9.3369 9.3369 9.3511 9.3511 9.3511 9.3511 10.1212 10.1212 10.1212 10.1212 11.0048 11.0048 11.0048 11.0048 11.0679 11.0679 11.0679 11.0679 11.1112 11.1112 11.1112 11.1112 11.6780 11.6780 11.6780 11.6780 11.6817 11.6817 11.6817 11.6817 k = 0.5000 0.2887 0.7279 ( 14512 PWs) bands (ev): -0.6115 -0.6115 -0.6115 -0.6115 0.0658 0.0658 0.0658 0.0658 0.3527 0.3527 0.3527 0.3527 0.5411 0.5411 0.5411 0.5411 4.6771 4.6771 4.6771 4.6771 5.5741 5.5741 5.5741 5.5741 5.8442 5.8442 5.8442 5.8442 6.1330 6.1330 6.1330 6.1330 6.3459 6.3459 6.3459 6.3459 6.8947 6.8947 6.8947 6.8947 7.0427 7.0427 7.0427 7.0427 7.1754 7.1754 7.1754 7.1754 7.7087 7.7087 7.7087 7.7087 8.3395 8.3395 8.3395 8.3395 8.8143 8.8143 8.8143 8.8143 9.1468 9.1468 9.1468 9.1468 9.3297 9.3297 9.3297 9.3297 9.6287 9.6287 9.6287 9.6287 9.6806 9.6806 9.6806 9.6806 10.6174 10.6174 10.6174 10.6174 10.9940 10.9940 10.9940 10.9940 11.0964 11.0964 11.0964 11.0964 11.3061 11.3061 11.3061 11.3061 11.6736 11.6736 11.6736 11.6736 k = 0.5000 0.2887 0.7019 ( 14532 PWs) bands (ev): -0.6708 -0.6708 -0.5510 -0.5510 0.0139 0.0139 0.1179 0.1179 0.3448 0.3448 0.3510 0.3510 0.5370 0.5370 0.5540 0.5540 4.6541 4.6541 4.7020 4.7020 5.5320 5.5320 5.6161 5.6161 5.8107 5.8107 5.8803 5.8803 6.0952 6.0952 6.1704 6.1704 6.3247 6.3247 6.3700 6.3700 6.8885 6.8885 6.9020 6.9020 7.0266 7.0266 7.0551 7.0551 7.1017 7.1017 7.2503 7.2503 7.6941 7.6941 7.7142 7.7142 8.3212 8.3212 8.3659 8.3659 8.8079 8.8079 8.8131 8.8131 9.0693 9.0693 9.2275 9.2275 9.3162 9.3162 9.3447 9.3447 9.5896 9.5896 9.6358 9.6358 9.6824 9.6824 9.7164 9.7164 10.5500 10.5500 10.6847 10.6847 10.9202 10.9202 11.0295 11.0295 11.0911 11.0911 11.1267 11.1267 11.2387 11.2387 11.3729 11.3729 11.6195 11.6195 11.7317 11.7317 k = 0.5000 0.2887 0.6759 ( 14506 PWs) bands (ev): -0.7288 -0.7288 -0.4897 -0.4897 -0.0376 -0.0376 0.1700 0.1700 0.3297 0.3297 0.3393 0.3393 0.5420 0.5420 0.5733 0.5733 4.6337 4.6337 4.7284 4.7284 5.4905 5.4905 5.6573 5.6573 5.7808 5.7808 5.9179 5.9179 6.0579 6.0579 6.2051 6.2051 6.3087 6.3087 6.3961 6.3961 6.8813 6.8813 6.9105 6.9105 6.9869 6.9869 7.0496 7.0496 7.0714 7.0714 7.3201 7.3201 7.6722 7.6722 7.7096 7.7096 8.3118 8.3118 8.3991 8.3991 8.7946 8.7946 8.8039 8.8039 8.9969 8.9969 9.3020 9.3020 9.3089 9.3089 9.3615 9.3615 9.5575 9.5575 9.6046 9.6046 9.7252 9.7252 9.7563 9.7563 10.4842 10.4842 10.7477 10.7477 10.8474 10.8474 10.9880 10.9880 11.1153 11.1153 11.1540 11.1540 11.1985 11.1985 11.4357 11.4357 11.5731 11.5731 11.7907 11.7907 k = 0.5000 0.2887 0.6499 ( 14516 PWs) bands (ev): -0.7854 -0.7854 -0.4277 -0.4277 -0.0885 -0.0885 0.2219 0.2219 0.3103 0.3103 0.3199 0.3199 0.5539 0.5539 0.5963 0.5963 4.6162 4.6162 4.7556 4.7556 5.4502 5.4502 5.6966 5.6966 5.7553 5.7553 5.9538 5.9538 6.0233 6.0233 6.2301 6.2301 6.3048 6.3048 6.4239 6.4239 6.8595 6.8595 6.9155 6.9155 6.9354 6.9354 7.0344 7.0344 7.0859 7.0859 7.3825 7.3825 7.6453 7.6453 7.6949 7.6949 8.3105 8.3105 8.4366 8.4366 8.7750 8.7750 8.7871 8.7871 8.9304 8.9304 9.2916 9.2916 9.3719 9.3719 9.3799 9.3799 9.5494 9.5494 9.5729 9.5729 9.7691 9.7691 9.7985 9.7985 10.4209 10.4209 10.7495 10.7495 10.8339 10.8339 10.9319 10.9319 11.0605 11.0605 11.1677 11.1677 11.2375 11.2375 11.4930 11.4930 11.5425 11.5425 11.8342 11.8343 k = 0.5000 0.2887 0.6239 ( 14518 PWs) bands (ev): -0.8405 -0.8405 -0.3654 -0.3654 -0.1386 -0.1386 0.2734 0.2734 0.2885 0.2885 0.2956 0.2956 0.5698 0.5698 0.6212 0.6212 4.6020 4.6020 4.7833 4.7833 5.4118 5.4118 5.7258 5.7258 5.7416 5.7416 5.9690 5.9690 6.0087 6.0087 6.2352 6.2352 6.3232 6.3232 6.4532 6.4532 6.7970 6.7970 6.9045 6.9045 6.9379 6.9379 7.0269 7.0269 7.1039 7.1039 7.4353 7.4353 7.6160 7.6160 7.6715 7.6715 8.3155 8.3155 8.4756 8.4756 8.7496 8.7496 8.7641 8.7641 8.8701 8.8701 9.2796 9.2796 9.3959 9.3959 9.4000 9.4000 9.5425 9.5425 9.5913 9.5913 9.8104 9.8104 9.8426 9.8426 10.3615 10.3615 10.6812 10.6812 10.8531 10.8531 10.9051 10.9051 10.9851 10.9851 11.1756 11.1756 11.2704 11.2704 11.5357 11.5357 11.5505 11.5505 11.8325 11.8328 k = 0.5000 0.2887 0.5979 ( 14510 PWs) bands (ev): -0.8939 -0.8939 -0.3032 -0.3032 -0.1879 -0.1879 0.2658 0.2658 0.2682 0.2682 0.3245 0.3245 0.5878 0.5878 0.6469 0.6469 4.5916 4.5916 4.8107 4.8107 5.3757 5.3757 5.7136 5.7136 5.7702 5.7702 5.9430 5.9430 6.0320 6.0320 6.2274 6.2274 6.3564 6.3564 6.4840 6.4840 6.7209 6.7209 6.9027 6.9027 6.9510 6.9510 7.0222 7.0222 7.1251 7.1251 7.4738 7.4738 7.5890 7.5890 7.6420 7.6420 8.3246 8.3246 8.5129 8.5129 8.7182 8.7182 8.7371 8.7371 8.8162 8.8162 9.2670 9.2670 9.3932 9.3932 9.4182 9.4182 9.5144 9.5144 9.6727 9.6727 9.8468 9.8468 9.8882 9.8882 10.3080 10.3080 10.6104 10.6104 10.7908 10.7908 10.8955 10.8955 10.9691 10.9691 11.1795 11.1795 11.2700 11.2700 11.5766 11.5766 11.5940 11.5940 11.8152 11.8152 k = 0.5000 0.2887 0.5719 ( 14510 PWs) bands (ev): -0.9456 -0.9456 -0.2417 -0.2417 -0.2361 -0.2361 0.2392 0.2392 0.2438 0.2438 0.3747 0.3747 0.6066 0.6066 0.6726 0.6726 4.5852 4.5852 4.8375 4.8375 5.3423 5.3423 5.7004 5.7004 5.7985 5.7985 5.9131 5.9131 6.0527 6.0527 6.2155 6.2155 6.3945 6.3945 6.5166 6.5166 6.6520 6.6520 6.9051 6.9051 6.9653 6.9653 7.0196 7.0196 7.1498 7.1498 7.4858 7.4858 7.5707 7.5707 7.6147 7.6147 8.3352 8.3352 8.5447 8.5447 8.6816 8.6816 8.7082 8.7082 8.7685 8.7685 9.2536 9.2536 9.3886 9.3886 9.4314 9.4314 9.4920 9.4920 9.7674 9.7674 9.8760 9.8760 9.9351 9.9351 10.2630 10.2630 10.5426 10.5426 10.7214 10.7214 10.8152 10.8152 11.0254 11.0254 11.1814 11.1814 11.2458 11.2458 11.6334 11.6334 11.6433 11.6433 11.7924 11.7924 k = 0.5000 0.2887 0.5459 ( 14522 PWs) bands (ev): -0.9955 -0.9955 -0.2831 -0.2831 -0.1821 -0.1821 0.2097 0.2097 0.2231 0.2231 0.4238 0.4238 0.6253 0.6253 0.6980 0.6980 4.5830 4.5830 4.8632 4.8632 5.3120 5.3120 5.6906 5.6906 5.8170 5.8170 5.8901 5.8901 6.0573 6.0573 6.2030 6.2030 6.4343 6.4343 6.5515 6.5515 6.5999 6.5999 6.9093 6.9093 6.9788 6.9788 7.0196 7.0196 7.1783 7.1783 7.4672 7.4672 7.5447 7.5447 7.6132 7.6132 8.3452 8.3452 8.5669 8.5669 8.6418 8.6418 8.6787 8.6787 8.7268 8.7268 9.2394 9.2394 9.3929 9.3929 9.4273 9.4273 9.4860 9.4860 9.8550 9.8550 9.9032 9.9032 9.9828 9.9828 10.2303 10.2303 10.4793 10.4793 10.6536 10.6536 10.7331 10.7331 11.0790 11.0790 11.1824 11.1824 11.2134 11.2134 11.6662 11.6662 11.7228 11.7228 11.7679 11.7679 k = 0.5000 0.2887 0.5199 ( 14516 PWs) bands (ev): -1.0435 -1.0435 -0.3287 -0.3287 -0.1260 -0.1260 0.1799 0.1799 0.2061 0.2061 0.4718 0.4718 0.6435 0.6435 0.7229 0.7229 4.5852 4.5852 4.8874 4.8874 5.2852 5.2852 5.6835 5.6835 5.8149 5.8149 5.8850 5.8850 6.0363 6.0363 6.1948 6.1948 6.4750 6.4750 6.5701 6.5701 6.5894 6.5894 6.9148 6.9148 6.9891 6.9891 7.0238 7.0238 7.2102 7.2102 7.4345 7.4345 7.5055 7.5055 7.6292 7.6292 8.3526 8.3526 8.5702 8.5702 8.6060 8.6060 8.6500 8.6500 8.6921 8.6921 9.2243 9.2243 9.4022 9.4022 9.4138 9.4138 9.4953 9.4953 9.8778 9.8778 9.9751 9.9751 10.0307 10.0307 10.2132 10.2132 10.4217 10.4217 10.5931 10.5931 10.6530 10.6530 11.1241 11.1241 11.1690 11.1690 11.1964 11.1964 11.6913 11.6913 11.7443 11.7443 11.8084 11.8084 k = 0.5000 0.2887 0.4939 ( 14510 PWs) bands (ev): -1.0895 -1.0895 -0.3729 -0.3729 -0.0766 -0.0766 0.1504 0.1504 0.1957 0.1957 0.5184 0.5184 0.6610 0.6610 0.7471 0.7471 4.5920 4.5920 4.9098 4.9098 5.2620 5.2620 5.6780 5.6780 5.7959 5.7959 5.8928 5.8928 5.9893 5.9893 6.1954 6.1954 6.5157 6.5157 6.5607 6.5607 6.6309 6.6309 6.9212 6.9212 6.9946 6.9946 7.0330 7.0330 7.2440 7.2440 7.3971 7.3971 7.4651 7.4651 7.6447 7.6447 8.3558 8.3558 8.5375 8.5375 8.5892 8.5892 8.6238 8.6238 8.6662 8.6662 9.2084 9.2084 9.3768 9.3768 9.4429 9.4429 9.5067 9.5067 9.8626 9.8626 10.0536 10.0536 10.0777 10.0777 10.2116 10.2116 10.3708 10.3708 10.5491 10.5491 10.5785 10.5785 11.1319 11.1319 11.1609 11.1609 11.2059 11.2059 11.7059 11.7059 11.7288 11.7288 11.8770 11.8773 k = 0.5000 0.2887 0.4679 ( 14502 PWs) bands (ev): -1.1335 -1.1335 -0.4155 -0.4155 -0.0391 -0.0391 0.1213 0.1213 0.1970 0.1970 0.5633 0.5633 0.6774 0.6774 0.7706 0.7706 4.6032 4.6032 4.9303 4.9303 5.2427 5.2427 5.6721 5.6721 5.7734 5.7734 5.8841 5.8841 5.9420 5.9420 6.2037 6.2037 6.5518 6.5518 6.5682 6.5682 6.6762 6.6762 6.9288 6.9288 6.9970 6.9970 7.0452 7.0452 7.2740 7.2740 7.3581 7.3581 7.4323 7.4323 7.6551 7.6551 8.3537 8.3537 8.4904 8.4904 8.5717 8.5717 8.6004 8.6004 8.6502 8.6502 9.1919 9.1919 9.3477 9.3477 9.4857 9.4857 9.5151 9.5151 9.8322 9.8322 10.1038 10.1038 10.1204 10.1204 10.2204 10.2204 10.3279 10.3279 10.5063 10.5063 10.5466 10.5466 11.0985 11.0985 11.1816 11.1816 11.2217 11.2217 11.7045 11.7045 11.7289 11.7289 11.8780 11.8780 k = 0.5000 0.2887 0.4419 ( 14516 PWs) bands (ev): -1.1754 -1.1754 -0.4563 -0.4563 -0.0184 -0.0184 0.0929 0.0929 0.2147 0.2147 0.6066 0.6066 0.6928 0.6928 0.7936 0.7936 4.6189 4.6189 4.9488 4.9488 5.2272 5.2272 5.6631 5.6631 5.7491 5.7491 5.8258 5.8258 5.9384 5.9384 6.2175 6.2175 6.5656 6.5656 6.6019 6.6019 6.7243 6.7243 6.9380 6.9380 6.9985 6.9985 7.0581 7.0581 7.2844 7.2844 7.3207 7.3207 7.4222 7.4222 7.6591 7.6591 8.3449 8.3449 8.4417 8.4417 8.5487 8.5487 8.5795 8.5795 8.6408 8.6408 9.1748 9.1748 9.3180 9.3180 9.5170 9.5170 9.5387 9.5387 9.7929 9.7929 10.1165 10.1165 10.1433 10.1433 10.2367 10.2367 10.2944 10.2944 10.4575 10.4575 10.5862 10.5862 11.0661 11.0661 11.1968 11.1968 11.2350 11.2350 11.7026 11.7026 11.7316 11.7316 11.8787 11.8787 k = 0.5000 0.2887 0.4159 ( 14516 PWs) bands (ev): -1.2152 -1.2152 -0.4954 -0.4954 -0.0143 -0.0143 0.0654 0.0654 0.2484 0.2484 0.6478 0.6478 0.7069 0.7069 0.8161 0.8161 4.6388 4.6388 4.9651 4.9651 5.2156 5.2156 5.6480 5.6480 5.7005 5.7005 5.7816 5.7816 5.9466 5.9466 6.2357 6.2357 6.5715 6.5715 6.6410 6.6410 6.7729 6.7729 6.9498 6.9498 7.0003 7.0003 7.0708 7.0708 7.2604 7.2604 7.2907 7.2907 7.4451 7.4451 7.6566 7.6566 8.3263 8.3263 8.3971 8.3971 8.5234 8.5234 8.5620 8.5620 8.6347 8.6347 9.1573 9.1573 9.2883 9.2883 9.5139 9.5139 9.5950 9.5950 9.7489 9.7489 10.0913 10.0913 10.1403 10.1403 10.2557 10.2557 10.2773 10.2773 10.4369 10.4369 10.6660 10.6660 11.0362 11.0362 11.2044 11.2044 11.2468 11.2468 11.7043 11.7043 11.7334 11.7334 11.8793 11.8794 k = 0.5000 0.2887 0.3899 ( 14528 PWs) bands (ev): -1.2528 -1.2528 -0.5326 -0.5326 -0.0213 -0.0213 0.0390 0.0390 0.2922 0.2922 0.6870 0.6870 0.7199 0.7199 0.8384 0.8384 4.6625 4.6625 4.9792 4.9792 5.2077 5.2077 5.6100 5.6100 5.6387 5.6387 5.7740 5.7740 5.9547 5.9547 6.2576 6.2576 6.5717 6.5717 6.6788 6.6788 6.8181 6.8181 6.9662 6.9662 7.0032 7.0032 7.0832 7.0832 7.2226 7.2226 7.2626 7.2626 7.4861 7.4861 7.6487 7.6487 8.2928 8.2928 8.3638 8.3638 8.4977 8.4977 8.5479 8.5479 8.6312 8.6312 9.1396 9.1396 9.2590 9.2590 9.5036 9.5036 9.6508 9.6508 9.7027 9.7027 10.0499 10.0499 10.1074 10.1074 10.2517 10.2517 10.2988 10.2988 10.4499 10.4499 10.7672 10.7672 11.0092 11.0092 11.1974 11.1974 11.2663 11.2663 11.6965 11.6965 11.7457 11.7457 11.8806 11.8806 k = 0.5000 0.2887 0.3639 ( 14544 PWs) bands (ev): -1.2882 -1.2882 -0.5677 -0.5677 -0.0342 -0.0342 0.0137 0.0137 0.3404 0.3404 0.7240 0.7240 0.7316 0.7316 0.8607 0.8607 4.6894 4.6894 4.9911 4.9911 5.2032 5.2032 5.5272 5.5272 5.6132 5.6132 5.7807 5.7807 5.9613 5.9613 6.2821 6.2821 6.5644 6.5644 6.7140 6.7140 6.8550 6.8550 6.9888 6.9888 7.0076 7.0076 7.0965 7.0965 7.1856 7.1856 7.2354 7.2354 7.5291 7.5291 7.6399 7.6399 8.2470 8.2470 8.3414 8.3414 8.4723 8.4723 8.5366 8.5366 8.6308 8.6308 9.1220 9.1220 9.2304 9.2304 9.4867 9.4867 9.6538 9.6538 9.6994 9.6994 10.0111 10.0111 10.0550 10.0550 10.2499 10.2499 10.3296 10.3296 10.4871 10.4871 10.8774 10.8774 10.9853 10.9853 11.1788 11.1788 11.2937 11.2937 11.6753 11.6753 11.7698 11.7698 11.8833 11.8835 k = 0.5000 0.2887 0.3379 ( 14538 PWs) bands (ev): -1.3213 -1.3213 -0.6008 -0.6008 -0.0497 -0.0497 -0.0102 -0.0102 0.3892 0.3892 0.7422 0.7422 0.7586 0.7586 0.8834 0.8834 4.7183 4.7183 5.0010 5.0010 5.2012 5.2012 5.4435 5.4435 5.5906 5.5906 5.7948 5.7948 5.9664 5.9664 6.3076 6.3076 6.5487 6.5487 6.7455 6.7455 6.8808 6.8808 7.0135 7.0135 7.0152 7.0152 7.1130 7.1130 7.1540 7.1540 7.2116 7.2116 7.5530 7.5530 7.6470 7.6470 8.1966 8.1966 8.3238 8.3238 8.4480 8.4480 8.5274 8.5274 8.6341 8.6341 9.1045 9.1045 9.2028 9.2028 9.4642 9.4642 9.6067 9.6067 9.7233 9.7233 9.9888 9.9888 9.9977 9.9977 10.2565 10.2565 10.3612 10.3612 10.5379 10.5379 10.9593 10.9593 10.9953 10.9953 11.1555 11.1555 11.3267 11.3267 11.6445 11.6445 11.7996 11.7996 11.8870 11.8877 k = 0.5000 0.2887 0.3119 ( 14528 PWs) bands (ev): -1.3521 -1.3521 -0.6317 -0.6317 -0.0661 -0.0661 -0.0327 -0.0327 0.4364 0.4364 0.7515 0.7515 0.7908 0.7908 0.9069 0.9069 4.7475 4.7475 5.0087 5.0087 5.1999 5.1999 5.3683 5.3683 5.5687 5.5687 5.8142 5.8142 5.9700 5.9700 6.3315 6.3315 6.5256 6.5256 6.7721 6.7721 6.8971 6.8971 7.0195 7.0195 7.0374 7.0374 7.1205 7.1205 7.1479 7.1479 7.1933 7.1933 7.5417 7.5417 7.6845 7.6845 8.1460 8.1460 8.3083 8.3083 8.4250 8.4250 8.5195 8.5195 8.6418 8.6418 9.0873 9.0873 9.1767 9.1767 9.4372 9.4372 9.5599 9.5599 9.7136 9.7136 9.9301 9.9301 10.0060 10.0060 10.2712 10.2712 10.3925 10.3925 10.5960 10.5960 10.9428 10.9428 11.0930 11.0930 11.1440 11.1440 11.3641 11.3641 11.6057 11.6057 11.8316 11.8316 11.8786 11.8786 k = 0.5000 0.2887 0.2859 ( 14544 PWs) bands (ev): -1.3805 -1.3805 -0.6604 -0.6604 -0.0826 -0.0826 -0.0538 -0.0538 0.4805 0.4805 0.7598 0.7598 0.8205 0.8205 0.9313 0.9313 4.7737 4.7737 5.0145 5.0145 5.1953 5.1953 5.3101 5.3101 5.5478 5.5478 5.8383 5.8383 5.9724 5.9724 6.3478 6.3478 6.5004 6.5004 6.7928 6.7928 6.9065 6.9065 7.0199 7.0199 7.0527 7.0527 7.1087 7.1087 7.1728 7.1728 7.1910 7.1910 7.5124 7.5124 7.7346 7.7346 8.0975 8.0975 8.2946 8.2946 8.4036 8.4036 8.5124 8.5124 8.6541 8.6541 9.0706 9.0706 9.1522 9.1522 9.4072 9.4072 9.5144 9.5144 9.6776 9.6776 9.8675 9.8675 10.0424 10.0424 10.2929 10.2929 10.4229 10.4229 10.6583 10.6583 10.9264 10.9264 11.0942 11.0942 11.2312 11.2312 11.4051 11.4051 11.5605 11.5605 11.8627 11.8627 11.8721 11.8721 k = 0.5000 0.2887 0.2599 ( 14546 PWs) bands (ev): -1.4066 -1.4066 -0.6868 -0.6868 -0.0985 -0.0985 -0.0732 -0.0732 0.5205 0.5205 0.7670 0.7670 0.8477 0.8477 0.9569 0.9569 4.7918 4.7918 5.0183 5.0183 5.1823 5.1823 5.2797 5.2797 5.5282 5.5282 5.8666 5.8666 5.9737 5.9737 6.3447 6.3447 6.4849 6.4849 6.8069 6.8069 6.9106 6.9106 7.0094 7.0094 7.0673 7.0673 7.1073 7.1073 7.1695 7.1695 7.2308 7.2308 7.4757 7.4757 7.7853 7.7853 8.0530 8.0530 8.2824 8.2824 8.3841 8.3841 8.5057 8.5057 8.6709 8.6709 9.0544 9.0544 9.1297 9.1297 9.3755 9.3755 9.4710 9.4710 9.6293 9.6293 9.8067 9.8067 10.0873 10.0873 10.3206 10.3206 10.4519 10.4519 10.7230 10.7230 10.9122 10.9122 11.0746 11.0746 11.3400 11.3400 11.4487 11.4487 11.5102 11.5102 11.8681 11.8681 11.8936 11.8936 k = 0.5000 0.2887 0.2340 ( 14546 PWs) bands (ev): -1.4302 -1.4302 -0.7109 -0.7109 -0.1135 -0.1135 -0.0910 -0.0910 0.5558 0.5558 0.7733 0.7733 0.8722 0.8722 0.9836 0.9836 4.7950 4.7950 5.0199 5.0199 5.1707 5.1707 5.2747 5.2747 5.5102 5.5102 5.8988 5.8988 5.9740 5.9740 6.3137 6.3137 6.4876 6.4876 6.8144 6.8144 6.9099 6.9099 6.9924 6.9924 7.0828 7.0828 7.1161 7.1161 7.1669 7.1669 7.2754 7.2754 7.4356 7.4356 7.8299 7.8299 8.0164 8.0164 8.2721 8.2721 8.3666 8.3666 8.4993 8.4993 8.6920 8.6920 9.0389 9.0389 9.1094 9.1094 9.3432 9.3432 9.4300 9.4300 9.5767 9.5767 9.7490 9.7490 10.1314 10.1314 10.3534 10.3534 10.4790 10.4790 10.7885 10.7885 10.9001 10.9001 11.0593 11.0593 11.4454 11.4454 11.4545 11.4545 11.4962 11.4962 11.8694 11.8694 11.9214 11.9215 k = 0.5000 0.2887 0.2080 ( 14538 PWs) bands (ev): -1.4515 -1.4515 -0.7325 -0.7325 -0.1273 -0.1273 -0.1071 -0.1071 0.5860 0.5860 0.7786 0.7786 0.8941 0.8941 1.0110 1.0110 4.7795 4.7795 5.0200 5.0200 5.1772 5.1772 5.2816 5.2816 5.4941 5.4941 5.9344 5.9344 5.9734 5.9734 6.2629 6.2629 6.5004 6.5004 6.8157 6.8157 6.9054 6.9054 6.9754 6.9754 7.0971 7.0971 7.1318 7.1318 7.1686 7.1686 7.3168 7.3168 7.3954 7.3954 7.8576 7.8576 7.9972 7.9972 8.2636 8.2636 8.3513 8.3513 8.4933 8.4933 8.7167 8.7167 9.0240 9.0240 9.0914 9.0914 9.3113 9.3113 9.3920 9.3920 9.5234 9.5234 9.6949 9.6949 10.1703 10.1703 10.3902 10.3902 10.5037 10.5037 10.8517 10.8517 10.8918 10.8918 11.0509 11.0509 11.3970 11.3970 11.5359 11.5359 11.5533 11.5533 11.8740 11.8740 11.9491 11.9493 k = 0.5000 0.2887 0.1820 ( 14544 PWs) bands (ev): -1.4703 -1.4703 -0.7517 -0.7517 -0.1398 -0.1398 -0.1215 -0.1215 0.6114 0.6114 0.7832 0.7832 0.9134 0.9134 1.0384 1.0384 4.7487 4.7487 5.0194 5.0194 5.2048 5.2048 5.2933 5.2933 5.4799 5.4799 5.9716 5.9716 5.9730 5.9730 6.2021 6.2021 6.5133 6.5133 6.8110 6.8110 6.9000 6.9000 6.9615 6.9615 7.1096 7.1096 7.1469 7.1469 7.1781 7.1781 7.3344 7.3344 7.3751 7.3751 7.8563 7.8563 8.0066 8.0066 8.2570 8.2570 8.3385 8.3385 8.4877 8.4877 8.7442 8.7442 9.0101 9.0101 9.0760 9.0760 9.2807 9.2807 9.3576 9.3576 9.4710 9.4710 9.6452 9.6452 10.2018 10.2018 10.4302 10.4302 10.5257 10.5257 10.8753 10.8753 10.9232 10.9232 11.0502 11.0502 11.3372 11.3372 11.5875 11.5875 11.6433 11.6433 11.8805 11.8805 11.9777 11.9778 k = 0.5000 0.2887 0.1560 ( 14518 PWs) bands (ev): -1.4866 -1.4866 -0.7685 -0.7685 -0.1508 -0.1508 -0.1340 -0.1340 0.6321 0.6321 0.7869 0.7869 0.9301 0.9301 1.0650 1.0650 4.7104 4.7104 5.0186 5.0186 5.2483 5.2483 5.3067 5.3067 5.4678 5.4678 5.9676 5.9676 6.0136 6.0136 6.1372 6.1372 6.5208 6.5208 6.8005 6.8005 6.8980 6.8980 6.9515 6.9515 7.1200 7.1200 7.1548 7.1548 7.1982 7.1982 7.3015 7.3015 7.4017 7.4017 7.8346 7.8346 8.0350 8.0350 8.2521 8.2521 8.3283 8.3283 8.4826 8.4826 8.7738 8.7738 8.9972 8.9972 9.0633 9.0633 9.2521 9.2521 9.3270 9.3270 9.4208 9.4208 9.6005 9.6005 10.2254 10.2254 10.4727 10.4727 10.5449 10.5449 10.8691 10.8691 10.9826 10.9826 11.0566 11.0566 11.2763 11.2763 11.6351 11.6351 11.7293 11.7293 11.8866 11.8866 12.0057 12.0058 k = 0.5000 0.2887 0.1300 ( 14506 PWs) bands (ev): -1.5005 -1.5005 -0.7827 -0.7827 -0.1603 -0.1603 -0.1446 -0.1446 0.6485 0.6485 0.7900 0.7900 0.9442 0.9442 1.0898 1.0898 4.6711 4.6711 5.0176 5.0176 5.3015 5.3015 5.3208 5.3208 5.4581 5.4581 5.9580 5.9580 6.0536 6.0536 6.0762 6.0762 6.5201 6.5201 6.7858 6.7858 6.9024 6.9024 6.9450 6.9450 7.1272 7.1272 7.1583 7.1583 7.2223 7.2223 7.2647 7.2647 7.4309 7.4309 7.8071 7.8071 8.0669 8.0669 8.2489 8.2489 8.3211 8.3211 8.4782 8.4782 8.8043 8.8043 8.9855 8.9855 9.0531 9.0531 9.2262 9.2262 9.3006 9.3006 9.3735 9.3735 9.5614 9.5614 10.2416 10.2416 10.5167 10.5167 10.5613 10.5613 10.8629 10.8629 11.0385 11.0385 11.0689 11.0689 11.2157 11.2157 11.6815 11.6815 11.8065 11.8065 11.8886 11.8886 12.0385 12.0396 k = 0.5000 0.2887 0.1040 ( 14510 PWs) bands (ev): -1.5118 -1.5118 -0.7944 -0.7944 -0.1681 -0.1681 -0.1534 -0.1534 0.6612 0.6612 0.7924 0.7924 0.9557 0.9557 1.1117 1.1117 4.6351 4.6351 5.0165 5.0165 5.3306 5.3306 5.3650 5.3650 5.4508 5.4508 5.9312 5.9312 6.0244 6.0244 6.0993 6.0993 6.5108 6.5108 6.7694 6.7694 6.9131 6.9131 6.9421 6.9421 7.1287 7.1287 7.1591 7.1591 7.2287 7.2287 7.2515 7.2515 7.4557 7.4557 7.7801 7.7801 8.0956 8.0956 8.2469 8.2469 8.3168 8.3168 8.4744 8.4744 8.8344 8.8344 8.9755 8.9755 9.0455 9.0455 9.2036 9.2036 9.2787 9.2787 9.3300 9.3300 9.5283 9.5283 10.2516 10.2516 10.5603 10.5603 10.5757 10.5757 10.8579 10.8579 11.0797 11.0797 11.0926 11.0926 11.1567 11.1567 11.7261 11.7261 11.8707 11.8707 11.8873 11.8873 12.0509 12.0537 k = 0.5000 0.2887 0.0780 ( 14496 PWs) bands (ev): -1.5206 -1.5206 -0.8035 -0.8035 -0.1742 -0.1742 -0.1602 -0.1602 0.6706 0.6706 0.7942 0.7942 0.9646 0.9646 1.1298 1.1298 4.6052 4.6052 5.0154 5.0154 5.3407 5.3407 5.4302 5.4302 5.4462 5.4462 5.8770 5.8770 6.0028 6.0028 6.1396 6.1396 6.4944 6.4944 6.7542 6.7542 6.9240 6.9240 6.9474 6.9474 7.1186 7.1186 7.1576 7.1576 7.2115 7.2115 7.2717 7.2717 7.4752 7.4752 7.7564 7.7564 8.1184 8.1184 8.2458 8.2458 8.3153 8.3153 8.4714 8.4714 8.8622 8.8622 8.9677 8.9677 9.0402 9.0402 9.1851 9.1851 9.2611 9.2611 9.2918 9.2918 9.5020 9.5020 10.2572 10.2572 10.5830 10.5830 10.6066 10.6066 10.8544 10.8544 11.0962 11.0962 11.1018 11.1018 11.1328 11.1328 11.7681 11.7681 11.8724 11.8724 11.9326 11.9326 12.0577 12.0585 k = 0.5000 0.2887 0.0520 ( 14506 PWs) bands (ev): -1.5270 -1.5270 -0.8100 -0.8100 -0.1787 -0.1787 -0.1651 -0.1651 0.6770 0.6770 0.7955 0.7955 0.9710 0.9710 1.1434 1.1434 4.5828 4.5828 5.0146 5.0146 5.3477 5.3477 5.4427 5.4427 5.4994 5.4994 5.8090 5.8090 5.9952 5.9952 6.1753 6.1753 6.4748 6.4748 6.7421 6.7421 6.9271 6.9271 6.9668 6.9668 7.0950 7.0950 7.1568 7.1568 7.2051 7.2051 7.2891 7.2891 7.4893 7.4893 7.7377 7.7377 8.1345 8.1345 8.2453 8.2453 8.3157 8.3157 8.4691 8.4691 8.8850 8.8850 8.9629 8.9629 9.0369 9.0369 9.1712 9.1712 9.2474 9.2474 9.2619 9.2619 9.4828 9.4828 10.2599 10.2599 10.5908 10.5908 10.6449 10.6449 10.8524 10.8524 11.0532 11.0532 11.1096 11.1096 11.1645 11.1645 11.8054 11.8054 11.8620 11.8620 11.9773 11.9773 12.0601 12.0633 k = 0.5000 0.2887 0.0260 ( 14518 PWs) bands (ev): -1.5308 -1.5308 -0.8139 -0.8139 -0.1813 -0.1813 -0.1681 -0.1681 0.6808 0.6808 0.7962 0.7962 0.9748 0.9748 1.1517 1.1517 4.5690 4.5690 5.0140 5.0140 5.3518 5.3518 5.4414 5.4414 5.5672 5.5672 5.7399 5.7399 5.9923 5.9923 6.2014 6.2014 6.4580 6.4580 6.7344 6.7344 6.9273 6.9273 6.9925 6.9925 7.0659 7.0659 7.1568 7.1568 7.2038 7.2038 7.3004 7.3004 7.4978 7.4978 7.7256 7.7256 8.1438 8.1438 8.2451 8.2451 8.3167 8.3167 8.4678 8.4678 8.8997 8.8997 8.9613 8.9613 9.0352 9.0352 9.1625 9.1625 9.2345 9.2345 9.2463 9.2463 9.4712 9.4712 10.2610 10.2610 10.5953 10.5953 10.6734 10.6734 10.8520 10.8520 11.0182 11.0182 11.1182 11.1182 11.1845 11.1845 11.8334 11.8334 11.8540 11.8540 12.0101 12.0102 12.0407 12.0477 k = 0.5000 0.2887-0.0000 ( 14502 PWs) bands (ev): -1.5320 -1.5320 -0.8152 -0.8152 -0.1822 -0.1822 -0.1691 -0.1691 0.6820 0.6820 0.7965 0.7965 0.9760 0.9760 1.1546 1.1546 4.5643 4.5643 5.0138 5.0138 5.3531 5.3531 5.4410 5.4410 5.6106 5.6106 5.6959 5.6959 5.9916 5.9916 6.2113 6.2113 6.4511 6.4511 6.7318 6.7318 6.9272 6.9272 7.0106 7.0106 7.0464 7.0464 7.1569 7.1569 7.2038 7.2038 7.3043 7.3043 7.5007 7.5007 7.7214 7.7214 8.1468 8.1468 8.2451 8.2451 8.3172 8.3172 8.4673 8.4673 8.9046 8.9046 8.9612 8.9612 9.0346 9.0346 9.1595 9.1595 9.2281 9.2281 9.2426 9.2426 9.4672 9.4672 10.2613 10.2613 10.5968 10.5968 10.6843 10.6843 10.8522 10.8522 11.0049 11.0049 11.1212 11.1212 11.1913 11.1913 11.8445 11.8445 11.8510 11.8510 12.0272 12.0272 12.0294 12.0302 k = 0.3333 0.5774-0.0000 ( 14556 PWs) bands (ev): -1.4784 -1.4784 -0.6553 -0.6553 -0.6513 -0.6513 0.0193 0.0193 0.7627 0.7627 0.8736 0.8736 0.8769 0.8769 1.1541 1.1541 4.5755 4.5755 5.1267 5.1267 5.1273 5.1273 5.5069 5.5069 5.5217 5.5217 5.8123 5.8123 5.9418 5.9418 6.2333 6.2333 6.5783 6.5783 6.7920 6.7920 6.9689 6.9689 7.0008 7.0008 7.1659 7.1659 7.1662 7.1662 7.1692 7.1692 7.2670 7.2670 7.5505 7.5505 7.9237 7.9237 7.9239 7.9239 7.9765 7.9765 8.3726 8.3726 8.4432 8.4432 8.4727 8.4727 9.0320 9.0320 9.0708 9.0708 9.2038 9.2038 9.2429 9.2429 9.8994 9.8994 9.9197 9.9197 9.9408 9.9408 9.9884 9.9884 10.5662 10.5662 10.6529 10.6529 11.0816 11.0816 11.1829 11.1829 11.4246 11.4246 11.7298 11.7298 11.8786 11.8786 11.8868 11.8868 11.8927 11.8927 k = 0.3333 0.5774 0.0260 ( 14574 PWs) bands (ev): -1.4772 -1.4772 -0.6540 -0.6540 -0.6501 -0.6501 0.0199 0.0199 0.7619 0.7619 0.8728 0.8728 0.8761 0.8761 1.1510 1.1510 4.5809 4.5809 5.1235 5.1235 5.1246 5.1246 5.5047 5.5047 5.5205 5.5205 5.8177 5.8177 5.9448 5.9448 6.2241 6.2241 6.5867 6.5867 6.7934 6.7934 6.9652 6.9652 7.0016 7.0016 7.1281 7.1281 7.1599 7.1599 7.2068 7.2068 7.2771 7.2771 7.5491 7.5491 7.9207 7.9207 7.9248 7.9248 7.9769 7.9769 8.3726 8.3726 8.4417 8.4417 8.4710 8.4710 9.0299 9.0299 9.0760 9.0760 9.2069 9.2069 9.2460 9.2460 9.9003 9.9003 9.9194 9.9194 9.9407 9.9407 9.9889 9.9889 10.5669 10.5669 10.6528 10.6528 11.0826 11.0826 11.1814 11.1814 11.4158 11.4158 11.7399 11.7399 11.8725 11.8725 11.8802 11.8802 11.8836 11.8836 k = 0.3333 0.5774 0.0520 ( 14568 PWs) bands (ev): -1.4735 -1.4735 -0.6503 -0.6503 -0.6464 -0.6464 0.0219 0.0219 0.7592 0.7592 0.8704 0.8704 0.8737 0.8737 1.1418 1.1418 4.5970 4.5970 5.1140 5.1140 5.1168 5.1168 5.4987 5.4987 5.5175 5.5175 5.8327 5.8327 5.9536 5.9536 6.1991 6.1991 6.6088 6.6088 6.7980 6.7980 6.9543 6.9543 7.0039 7.0039 7.0885 7.0885 7.1463 7.1463 7.2462 7.2462 7.3023 7.3023 7.5446 7.5446 7.9123 7.9123 7.9272 7.9272 7.9779 7.9779 8.3726 8.3726 8.4373 8.4373 8.4659 8.4659 9.0259 9.0259 9.0890 9.0890 9.2161 9.2161 9.2554 9.2554 9.9033 9.9033 9.9185 9.9185 9.9402 9.9402 9.9904 9.9904 10.5689 10.5689 10.6528 10.6528 11.0846 11.0846 11.1779 11.1779 11.3924 11.3924 11.7670 11.7670 11.8493 11.8493 11.8570 11.8570 11.8665 11.8665 k = 0.3333 0.5774 0.0780 ( 14559 PWs) bands (ev): -1.4673 -1.4673 -0.6442 -0.6442 -0.6403 -0.6403 0.0251 0.0251 0.7545 0.7545 0.8664 0.8664 0.8697 0.8697 1.1270 1.1270 4.6235 4.6235 5.0986 5.0986 5.1040 5.1040 5.4910 5.4910 5.5133 5.5133 5.8553 5.8553 5.9666 5.9666 6.1642 6.1642 6.6381 6.6381 6.8065 6.8065 6.9365 6.9365 7.0054 7.0054 7.0501 7.0501 7.1314 7.1314 7.2863 7.2863 7.3359 7.3359 7.5374 7.5374 7.8984 7.8984 7.9311 7.9311 7.9796 7.9796 8.3731 8.3731 8.4303 8.4303 8.4578 8.4578 9.0229 9.0229 9.1071 9.1071 9.2310 9.2310 9.2706 9.2706 9.9084 9.9084 9.9171 9.9171 9.9391 9.9391 9.9934 9.9934 10.5720 10.5720 10.6526 10.6526 11.0831 11.0831 11.1764 11.1764 11.3602 11.3602 11.8014 11.8014 11.8123 11.8123 11.8153 11.8153 11.8483 11.8483 k = 0.3333 0.5774 0.1040 ( 14556 PWs) bands (ev): -1.4586 -1.4586 -0.6356 -0.6356 -0.6317 -0.6317 0.0296 0.0296 0.7477 0.7477 0.8607 0.8607 0.8639 0.8639 1.1072 1.1072 4.6599 4.6599 5.0778 5.0778 5.0868 5.0868 5.4835 5.4835 5.5092 5.5092 5.8829 5.8829 5.9817 5.9817 6.1253 6.1253 6.6680 6.6680 6.8205 6.8205 6.9128 6.9128 6.9919 6.9919 7.0265 7.0265 7.1175 7.1175 7.3275 7.3275 7.3747 7.3747 7.5274 7.5274 7.8793 7.8793 7.9364 7.9364 7.9818 7.9818 8.3742 8.3742 8.4212 8.4212 8.4471 8.4471 9.0218 9.0218 9.1289 9.1289 9.2510 9.2510 9.2910 9.2910 9.9147 9.9147 9.9160 9.9160 9.9370 9.9370 9.9986 9.9986 10.5761 10.5761 10.6522 10.6522 11.0726 11.0726 11.1816 11.1816 11.3240 11.3240 11.7591 11.7591 11.7626 11.7626 11.8102 11.8102 11.8599 11.8599 k = 0.3333 0.5774 0.1300 ( 14586 PWs) bands (ev): -1.4475 -1.4475 -0.6246 -0.6246 -0.6207 -0.6207 0.0352 0.0352 0.7381 0.7381 0.8533 0.8533 0.8565 0.8565 1.0832 1.0832 4.7056 4.7056 5.0527 5.0527 5.0661 5.0661 5.4774 5.4774 5.5060 5.5060 5.9135 5.9135 5.9942 5.9942 6.0888 6.0888 6.6937 6.6937 6.8407 6.8407 6.8844 6.8844 6.9540 6.9540 7.0268 7.0268 7.1044 7.1044 7.3702 7.3702 7.4175 7.4175 7.5152 7.5152 7.8559 7.8559 7.9427 7.9427 7.9844 7.9844 8.3764 8.3764 8.4106 8.4106 8.4345 8.4345 9.0231 9.0231 9.1538 9.1538 9.2756 9.2756 9.3159 9.3159 9.9123 9.9123 9.9257 9.9257 9.9337 9.9337 10.0064 10.0064 10.5809 10.5809 10.6515 10.6515 11.0509 11.0509 11.1935 11.1935 11.2877 11.2877 11.7027 11.7027 11.7036 11.7036 11.7742 11.7742 11.9083 11.9083 k = 0.3333 0.5774 0.1560 ( 14580 PWs) bands (ev): -1.4339 -1.4339 -0.6111 -0.6111 -0.6073 -0.6073 0.0418 0.0418 0.7255 0.7255 0.8441 0.8441 0.8473 0.8473 1.0563 1.0563 4.7596 4.7596 5.0243 5.0243 5.0429 5.0429 5.4731 5.4731 5.5040 5.5040 5.9458 5.9458 5.9912 5.9912 6.0687 6.0687 6.7133 6.7133 6.8524 6.8524 6.8660 6.8660 6.9107 6.9107 7.0314 7.0314 7.0917 7.0917 7.4140 7.4140 7.4634 7.4634 7.5017 7.5017 7.8292 7.8292 7.9497 7.9497 7.9870 7.9870 8.3796 8.3796 8.3995 8.3995 8.4210 8.4210 9.0267 9.0267 9.1815 9.1815 9.3038 9.3038 9.3442 9.3442 9.9091 9.9091 9.9292 9.9292 9.9386 9.9386 10.0173 10.0173 10.5862 10.5862 10.6504 10.6504 11.0201 11.0201 11.2023 11.2023 11.2590 11.2590 11.6427 11.6427 11.6442 11.6442 11.7273 11.7273 11.9605 11.9605 k = 0.3333 0.5774 0.1820 ( 14556 PWs) bands (ev): -1.4179 -1.4179 -0.5954 -0.5954 -0.5915 -0.5915 0.0493 0.0493 0.7091 0.7091 0.8331 0.8331 0.8362 0.8362 1.0277 1.0277 4.8201 4.8201 4.9940 4.9940 5.0194 5.0194 5.4705 5.4705 5.5035 5.5035 5.9636 5.9636 5.9786 5.9786 6.0745 6.0745 6.7276 6.7276 6.8179 6.8179 6.8646 6.8646 6.8945 6.8945 7.0363 7.0363 7.0787 7.0787 7.4530 7.4530 7.4928 7.4928 7.5114 7.5114 7.8011 7.8011 7.9572 7.9572 7.9896 7.9896 8.3829 8.3829 8.3886 8.3886 8.4084 8.4084 9.0326 9.0326 9.2115 9.2115 9.3347 9.3347 9.3750 9.3750 9.9053 9.9053 9.9234 9.9234 9.9547 9.9547 10.0318 10.0318 10.5916 10.5916 10.6488 10.6488 10.9826 10.9826 11.1868 11.1868 11.2548 11.2548 11.5834 11.5834 11.5869 11.5869 11.6732 11.6732 12.0092 12.0093 k = 0.3333 0.5774 0.2080 ( 14556 PWs) bands (ev): -1.3995 -1.3995 -0.5772 -0.5772 -0.5734 -0.5734 0.0575 0.0575 0.6884 0.6884 0.8202 0.8202 0.8232 0.8232 0.9987 0.9987 4.8822 4.8822 4.9630 4.9630 5.0008 5.0008 5.4692 5.4692 5.5041 5.5041 5.9265 5.9265 6.0114 6.0114 6.0917 6.0917 6.7381 6.7381 6.7818 6.7818 6.8195 6.8195 6.9189 6.9189 7.0405 7.0405 7.0650 7.0650 7.4562 7.4562 7.5195 7.5195 7.5603 7.5603 7.7741 7.7741 7.9648 7.9648 7.9924 7.9924 8.3791 8.3791 8.3823 8.3823 8.4016 8.4016 9.0408 9.0408 9.2434 9.2434 9.3670 9.3670 9.4070 9.4070 9.9010 9.9010 9.9165 9.9165 9.9747 9.9747 10.0501 10.0501 10.5969 10.5969 10.6465 10.6465 10.9400 10.9400 11.1548 11.1548 11.2603 11.2603 11.5284 11.5284 11.5332 11.5332 11.6183 11.6183 12.0384 12.0386 k = 0.3333 0.5774 0.2340 ( 14547 PWs) bands (ev): -1.3787 -1.3787 -0.5568 -0.5568 -0.5530 -0.5530 0.0660 0.0660 0.6629 0.6629 0.8053 0.8053 0.8083 0.8083 0.9706 0.9706 4.9214 4.9214 4.9323 4.9323 5.0117 5.0117 5.4685 5.4685 5.5054 5.5054 5.8887 5.8887 6.0438 6.0438 6.1120 6.1120 6.7442 6.7442 6.7450 6.7450 6.7760 6.7760 6.9378 6.9378 7.0428 7.0428 7.0503 7.0503 7.4401 7.4401 7.5643 7.5643 7.6080 7.6080 7.7514 7.7514 7.9724 7.9724 7.9959 7.9959 8.3723 8.3723 8.3749 8.3749 8.4041 8.4041 9.0512 9.0512 9.2769 9.2769 9.3996 9.3996 9.4386 9.4386 9.8961 9.8961 9.9087 9.9087 9.9989 9.9989 10.0725 10.0725 10.6020 10.6020 10.6435 10.6435 10.8939 10.8939 11.1206 11.1206 11.2504 11.2504 11.4796 11.4796 11.4850 11.4850 11.5733 11.5733 12.0183 12.0187 k = 0.3333 0.5774 0.2599 ( 14547 PWs) bands (ev): -1.3555 -1.3555 -0.5342 -0.5342 -0.5304 -0.5304 0.0745 0.0745 0.6326 0.6326 0.7884 0.7884 0.7913 0.7913 0.9443 0.9443 4.9029 4.9029 4.9150 4.9150 5.0748 5.0748 5.4678 5.4678 5.5069 5.5069 5.8530 5.8530 6.0756 6.0756 6.1331 6.1331 6.7082 6.7082 6.7215 6.7215 6.7603 6.7603 6.9493 6.9493 7.0345 7.0345 7.0407 7.0407 7.4219 7.4219 7.6078 7.6078 7.6512 7.6512 7.7368 7.7368 7.9807 7.9807 8.0023 8.0023 8.3677 8.3677 8.3690 8.3690 8.4100 8.4100 9.0636 9.0636 9.3115 9.3115 9.4308 9.4308 9.4682 9.4682 9.8906 9.8906 9.9001 9.9001 10.0281 10.0281 10.0996 10.0996 10.6070 10.6070 10.6402 10.6402 10.8452 10.8452 11.0874 11.0874 11.2112 11.2112 11.4386 11.4386 11.4445 11.4445 11.5482 11.5482 12.0027 12.0028 k = 0.3333 0.5774 0.2859 ( 14556 PWs) bands (ev): -1.3299 -1.3299 -0.5094 -0.5094 -0.5056 -0.5056 0.0823 0.0823 0.5981 0.5981 0.7694 0.7694 0.7722 0.7722 0.9203 0.9203 4.8756 4.8756 4.8958 4.8958 5.1571 5.1571 5.4663 5.4663 5.5079 5.5079 5.8206 5.8206 6.1069 6.1069 6.1543 6.1543 6.6720 6.6720 6.6778 6.6778 6.7654 6.7654 6.9535 6.9535 7.0177 7.0177 7.0314 7.0314 7.4035 7.4035 7.6444 7.6444 7.6853 7.6853 7.7337 7.7337 7.9916 7.9916 8.0151 8.0151 8.3641 8.3641 8.3702 8.3702 8.4161 8.4161 9.0781 9.0781 9.3466 9.3466 9.4591 9.4591 9.4941 9.4941 9.8846 9.8846 9.8910 9.8910 10.0628 10.0628 10.1318 10.1318 10.6122 10.6122 10.6367 10.6367 10.7949 10.7949 11.0563 11.0563 11.1431 11.1431 11.4061 11.4061 11.4132 11.4132 11.5409 11.5409 11.9984 11.9984 k = 0.3333 0.5774 0.3119 ( 14556 PWs) bands (ev): -1.3021 -1.3021 -0.4825 -0.4825 -0.4787 -0.4787 0.0885 0.0885 0.5607 0.5607 0.7482 0.7482 0.7510 0.7510 0.8986 0.8986 4.8511 4.8511 4.8759 4.8759 5.2457 5.2457 5.4633 5.4633 5.5078 5.5078 5.7928 5.7928 6.1377 6.1377 6.1754 6.1754 6.6338 6.6338 6.6373 6.6373 6.7713 6.7713 6.9509 6.9509 7.0003 7.0003 7.0141 7.0141 7.3851 7.3851 7.6722 7.6722 7.7050 7.7050 7.7403 7.7403 8.0090 8.0090 8.0385 8.0385 8.3658 8.3658 8.3764 8.3764 8.4216 8.4216 9.0944 9.0944 9.3817 9.3817 9.4826 9.4826 9.5145 9.5145 9.8780 9.8780 9.8814 9.8814 10.1036 10.1036 10.1694 10.1694 10.6184 10.6184 10.6332 10.6332 10.7437 10.7437 11.0268 11.0268 11.0583 11.0583 11.3827 11.3827 11.3911 11.3911 11.5405 11.5405 12.0071 12.0071 k = 0.3333 0.5774 0.3379 ( 14562 PWs) bands (ev): -1.2719 -1.2719 -0.4535 -0.4535 -0.4498 -0.4498 0.0919 0.0919 0.5224 0.5224 0.7249 0.7249 0.7276 0.7276 0.8788 0.8788 4.8299 4.8299 4.8581 4.8581 5.3363 5.3363 5.4581 5.4581 5.5063 5.5063 5.7711 5.7711 6.1680 6.1680 6.1964 6.1964 6.5913 6.5913 6.6047 6.6047 6.7763 6.7763 6.9397 6.9397 6.9823 6.9823 6.9927 6.9927 7.3659 7.3659 7.6964 7.6964 7.7076 7.7076 7.7459 7.7459 8.0372 8.0372 8.0750 8.0750 8.3731 8.3731 8.3878 8.3878 8.4260 8.4260 9.1126 9.1126 9.4162 9.4162 9.4997 9.4997 9.5280 9.5280 9.8707 9.8707 9.8715 9.8715 10.1507 10.1507 10.2128 10.2128 10.6265 10.6265 10.6269 10.6269 10.6937 10.6937 10.9622 10.9622 11.0060 11.0060 11.3682 11.3682 11.3776 11.3776 11.5377 11.5377 12.0297 12.0298 k = 0.3333 0.5774 0.3639 ( 14568 PWs) bands (ev): -1.2394 -1.2394 -0.4225 -0.4225 -0.4189 -0.4189 0.0906 0.0906 0.4859 0.4859 0.6993 0.6993 0.7021 0.7021 0.8604 0.8604 4.8123 4.8123 4.8433 4.8433 5.4235 5.4235 5.4500 5.4500 5.5041 5.5041 5.7580 5.7580 6.1979 6.1979 6.2172 6.2172 6.5511 6.5511 6.5749 6.5749 6.7787 6.7787 6.9160 6.9160 6.9642 6.9642 6.9759 6.9759 7.3454 7.3454 7.6943 7.6943 7.7209 7.7209 7.7430 7.7430 8.0775 8.0775 8.1230 8.1230 8.3858 8.3858 8.4043 8.4043 8.4295 8.4295 9.1325 9.1325 9.4493 9.4493 9.5092 9.5092 9.5338 9.5338 9.8612 9.8612 9.8620 9.8620 10.2041 10.2041 10.2623 10.2623 10.5977 10.5977 10.6375 10.6375 10.6625 10.6625 10.8752 10.8752 10.9845 10.9845 11.3620 11.3620 11.3721 11.3721 11.5282 11.5282 12.0580 12.0587 k = 0.3333 0.5774 0.3899 ( 14562 PWs) bands (ev): -1.2047 -1.2047 -0.3897 -0.3897 -0.3861 -0.3861 0.0822 0.0822 0.4543 0.4543 0.6716 0.6716 0.6743 0.6743 0.8429 0.8429 4.7989 4.7989 4.8321 4.8321 5.4384 5.4384 5.4783 5.4783 5.5226 5.5226 5.7594 5.7594 6.2274 6.2274 6.2380 6.2380 6.5137 6.5137 6.5484 6.5484 6.7752 6.7752 6.8846 6.8846 6.9463 6.9463 6.9663 6.9663 7.3235 7.3235 7.6684 7.6684 7.7197 7.7197 7.7563 7.7563 8.1277 8.1277 8.1788 8.1788 8.4019 8.4019 8.4257 8.4257 8.4342 8.4342 9.1540 9.1540 9.4804 9.4804 9.5104 9.5104 9.5317 9.5317 9.8502 9.8502 9.8515 9.8515 10.2633 10.2633 10.3179 10.3179 10.5299 10.5299 10.6527 10.6527 10.6613 10.6613 10.8023 10.8023 10.9684 10.9684 11.3633 11.3633 11.3736 11.3736 11.5109 11.5109 12.0398 12.0398 k = 0.3333 0.5774 0.4159 ( 14556 PWs) bands (ev): -1.1678 -1.1678 -0.3551 -0.3551 -0.3515 -0.3515 0.0647 0.0647 0.4305 0.4305 0.6417 0.6417 0.6444 0.6444 0.8258 0.8258 4.7897 4.7897 4.8250 4.8250 5.4229 5.4229 5.4741 5.4741 5.5758 5.5758 5.7861 5.7861 6.2565 6.2565 6.2587 6.2587 6.4797 6.4797 6.5256 6.5256 6.7587 6.7587 6.8596 6.8596 6.9292 6.9292 6.9610 6.9610 7.3006 7.3006 7.6335 7.6335 7.6934 7.6934 7.7850 7.7850 8.1838 8.1838 8.2389 8.2389 8.4155 8.4155 8.4469 8.4469 8.4519 8.4519 9.1770 9.1770 9.5036 9.5036 9.5084 9.5084 9.5227 9.5227 9.8375 9.8375 9.8383 9.8383 10.3254 10.3254 10.3793 10.3793 10.4420 10.4420 10.6700 10.6700 10.6728 10.6728 10.7516 10.7516 10.9576 10.9576 11.3709 11.3709 11.3810 11.3810 11.4865 11.4865 12.0100 12.0101 k = 0.3333 0.5774 0.4419 ( 14538 PWs) bands (ev): -1.1288 -1.1288 -0.3187 -0.3187 -0.3152 -0.3152 0.0366 0.0366 0.4164 0.4164 0.6098 0.6098 0.6124 0.6124 0.8088 0.8088 4.7850 4.7850 4.8222 4.8222 5.4032 5.4032 5.4587 5.4587 5.6080 5.6080 5.8438 5.8438 6.2793 6.2793 6.2851 6.2851 6.4495 6.4495 6.5071 6.5071 6.7267 6.7267 6.8489 6.8489 6.9133 6.9133 6.9586 6.9586 7.2768 7.2768 7.5920 7.5920 7.6589 7.6589 7.8112 7.8112 8.2422 8.2422 8.3001 8.3001 8.4237 8.4237 8.4722 8.4722 8.4828 8.4828 9.2015 9.2015 9.4900 9.4900 9.5060 9.5060 9.5344 9.5344 9.8217 9.8217 9.8222 9.8222 10.3206 10.3206 10.4112 10.4112 10.4460 10.4460 10.6765 10.6765 10.6986 10.6986 10.7300 10.7300 10.9527 10.9527 11.3836 11.3836 11.3929 11.3929 11.4563 11.4563 11.9753 11.9753 k = 0.3333 0.5774 0.4679 ( 14526 PWs) bands (ev): -1.0877 -1.0877 -0.2808 -0.2808 -0.2774 -0.2774 -0.0014 -0.0014 0.4118 0.4118 0.5758 0.5758 0.5784 0.5784 0.7915 0.7915 4.7848 4.7848 4.8237 4.8237 5.3794 5.3794 5.4377 5.4377 5.6235 5.6235 5.9190 5.9190 6.2998 6.2998 6.3128 6.3128 6.4234 6.4234 6.4928 6.4928 6.6887 6.6887 6.8478 6.8478 6.8994 6.8994 6.9591 6.9591 7.2527 7.2527 7.5459 7.5459 7.6191 7.6191 7.8296 7.8296 8.2999 8.2999 8.3600 8.3600 8.4339 8.4339 8.5058 8.5058 8.5186 8.5186 9.2271 9.2271 9.4710 9.4710 9.4857 9.4857 9.5551 9.5551 9.8013 9.8013 9.8036 9.8036 10.2117 10.2117 10.4798 10.4798 10.5175 10.5175 10.6719 10.6719 10.7302 10.7302 10.7421 10.7421 10.9542 10.9542 11.3996 11.3996 11.4064 11.4064 11.4227 11.4227 11.9364 11.9364 k = 0.3333 0.5774 0.4939 ( 14529 PWs) bands (ev): -1.0445 -1.0445 -0.2414 -0.2414 -0.2380 -0.2380 -0.0475 -0.0475 0.4152 0.4152 0.5399 0.5399 0.5425 0.5425 0.7738 0.7738 4.7891 4.7891 4.8297 4.8297 5.3515 5.3515 5.4118 5.4118 5.6336 5.6336 5.9944 5.9944 6.3200 6.3200 6.3391 6.3391 6.4026 6.4026 6.4829 6.4829 6.6555 6.6555 6.8512 6.8512 6.8881 6.8881 6.9626 6.9626 7.2285 7.2285 7.4965 7.4965 7.5758 7.5758 7.8356 7.8356 8.3548 8.3548 8.4166 8.4166 8.4522 8.4522 8.5447 8.5447 8.5592 8.5592 9.2538 9.2538 9.4485 9.4485 9.4621 9.4621 9.5713 9.5713 9.7768 9.7768 9.7810 9.7810 10.0936 10.0936 10.5555 10.5555 10.5927 10.5927 10.6694 10.6694 10.7676 10.7676 10.7721 10.7721 10.9625 10.9625 11.3803 11.3803 11.4175 11.4175 11.4263 11.4263 11.8939 11.8940 k = 0.3333 0.5774 0.5199 ( 14514 PWs) bands (ev): -0.9993 -0.9993 -0.2007 -0.2007 -0.1974 -0.1974 -0.0995 -0.0995 0.4247 0.4247 0.5022 0.5022 0.5048 0.5048 0.7556 0.7556 4.7979 4.7979 4.8402 4.8402 5.3200 5.3200 5.3815 5.3815 5.6442 5.6442 6.0554 6.0554 6.3391 6.3391 6.3634 6.3634 6.3899 6.3899 6.4771 6.4771 6.6363 6.6363 6.8574 6.8574 6.8803 6.8803 6.9688 6.9688 7.2047 7.2047 7.4447 7.4447 7.5303 7.5303 7.8255 7.8255 8.4063 8.4063 8.4687 8.4687 8.4816 8.4816 8.5875 8.5875 8.6037 8.6037 9.2814 9.2814 9.4245 9.4245 9.4372 9.4372 9.5826 9.5826 9.7481 9.7481 9.7542 9.7542 9.9733 9.9733 10.6281 10.6281 10.6708 10.6708 10.6806 10.6806 10.8102 10.8102 10.8106 10.8106 10.9780 10.9780 11.3381 11.3381 11.4350 11.4350 11.4421 11.4421 11.8480 11.8481 k = 0.3333 0.5774 0.5459 ( 14508 PWs) bands (ev): -0.9522 -0.9522 -0.1588 -0.1588 -0.1568 -0.1568 -0.1541 -0.1541 0.4386 0.4386 0.4629 0.4629 0.4655 0.4655 0.7366 0.7366 4.8112 4.8112 4.8550 4.8550 5.2853 5.2853 5.3473 5.3473 5.6576 5.6576 6.0894 6.0894 6.3540 6.3540 6.3850 6.3850 6.3887 6.3887 6.4750 6.4750 6.6409 6.6409 6.8662 6.8662 6.8771 6.8771 6.9772 6.9772 7.1817 7.1817 7.3916 7.3916 7.4836 7.4836 7.7981 7.7981 8.4556 8.4556 8.5164 8.5164 8.5214 8.5214 8.6323 8.6323 8.6499 8.6499 9.3097 9.3097 9.4011 9.4011 9.4127 9.4127 9.5885 9.5885 9.7154 9.7154 9.7232 9.7232 9.8531 9.8531 10.6699 10.6699 10.7322 10.7322 10.7506 10.7506 10.8549 10.8549 10.8575 10.8575 11.0006 11.0006 11.2931 11.2931 11.4499 11.4499 11.4554 11.4554 11.7990 11.7991 k = 0.3333 0.5774 0.5719 ( 14478 PWs) bands (ev): -0.9032 -0.9032 -0.2140 -0.2140 -0.1157 -0.1157 -0.1125 -0.1125 0.4220 0.4220 0.4246 0.4246 0.4559 0.4559 0.7170 0.7170 4.8287 4.8287 4.8741 4.8741 5.2480 5.2480 5.3100 5.3100 5.6747 5.6747 6.0923 6.0923 6.3647 6.3647 6.3951 6.3951 6.4034 6.4034 6.4758 6.4758 6.6757 6.6757 6.8788 6.8788 6.8795 6.8795 6.9870 6.9870 7.1606 7.1606 7.3377 7.3377 7.4366 7.4366 7.7541 7.7541 8.5044 8.5044 8.5604 8.5604 8.5691 8.5691 8.6772 8.6772 8.6945 8.6945 9.3384 9.3384 9.3808 9.3808 9.3910 9.3910 9.5890 9.5890 9.6782 9.6782 9.6884 9.6884 9.7353 9.7353 10.6940 10.6940 10.8089 10.8089 10.8305 10.8305 10.9037 10.9037 10.9088 10.9088 11.0302 11.0302 11.2465 11.2465 11.4596 11.4596 11.4633 11.4633 11.7471 11.7472 k = 0.3333 0.5774 0.5979 ( 14487 PWs) bands (ev): -0.8524 -0.8524 -0.2739 -0.2739 -0.0718 -0.0718 -0.0686 -0.0686 0.3799 0.3799 0.3825 0.3825 0.4752 0.4752 0.6966 0.6966 4.8502 4.8502 4.8972 4.8972 5.2088 5.2088 5.2703 5.2703 5.6959 5.6959 6.0713 6.0713 6.3741 6.3741 6.4000 6.4000 6.4186 6.4186 6.4780 6.4780 6.7360 6.7360 6.8885 6.8885 6.8975 6.8975 6.9963 6.9963 7.1429 7.1429 7.2837 7.2837 7.3901 7.3901 7.6955 7.6955 8.5518 8.5518 8.6018 8.6018 8.6227 8.6227 8.7205 8.7205 8.7338 8.7338 9.3662 9.3662 9.3671 9.3671 9.3741 9.3741 9.5830 9.5830 9.6131 9.6131 9.6466 9.6466 9.6501 9.6501 10.7215 10.7215 10.8870 10.8870 10.9088 10.9088 10.9559 10.9559 10.9636 10.9636 11.0656 11.0656 11.2003 11.2003 11.4619 11.4619 11.4633 11.4633 11.6922 11.6923 k = 0.3333 0.5774 0.6239 ( 14451 PWs) bands (ev): -0.8000 -0.8000 -0.3346 -0.3346 -0.0271 -0.0271 -0.0240 -0.0240 0.3366 0.3366 0.3392 0.3392 0.4960 0.4960 0.6756 0.6756 4.8755 4.8755 4.9240 4.9240 5.1684 5.1684 5.2290 5.2290 5.7214 5.7214 6.0363 6.0363 6.3827 6.3827 6.4020 6.4020 6.4314 6.4314 6.4801 6.4801 6.8059 6.8059 6.9046 6.9046 6.9286 6.9286 7.0022 7.0022 7.1316 7.1316 7.2303 7.2303 7.3449 7.3449 7.6249 7.6249 8.5959 8.5959 8.6408 8.6408 8.6770 8.6770 8.7641 8.7641 8.7644 8.7644 9.3601 9.3601 9.3632 9.3632 9.3957 9.3957 9.5011 9.5011 9.5758 9.5758 9.6037 9.6037 9.6091 9.6091 10.7541 10.7541 10.9600 10.9600 10.9825 10.9825 11.0107 11.0107 11.0217 11.0217 11.1006 11.1006 11.1623 11.1623 11.4544 11.4544 11.4558 11.4558 11.6349 11.6354 k = 0.3333 0.5774 0.6499 ( 14484 PWs) bands (ev): -0.7459 -0.7459 -0.3955 -0.3955 0.0182 0.0182 0.0213 0.0213 0.2923 0.2923 0.2950 0.2950 0.5178 0.5178 0.6539 0.6539 4.9043 4.9043 4.9544 4.9544 5.1275 5.1275 5.1869 5.1869 5.7511 5.7511 5.9946 5.9946 6.3896 6.3896 6.4025 6.4025 6.4424 6.4424 6.4805 6.4805 6.8630 6.8630 6.9278 6.9278 6.9846 6.9846 7.0016 7.0016 7.1306 7.1306 7.1780 7.1780 7.3016 7.3016 7.5445 7.5445 8.6359 8.6359 8.6775 8.6775 8.7184 8.7184 8.7828 8.7828 8.8191 8.8191 9.3483 9.3483 9.3645 9.3645 9.4022 9.4022 9.4282 9.4282 9.5545 9.5545 9.5664 9.5664 9.5689 9.5689 10.7916 10.7916 11.0148 11.0148 11.0481 11.0481 11.0657 11.0657 11.0817 11.0817 11.1032 11.1032 11.1752 11.1752 11.4377 11.4377 11.4427 11.4427 11.5622 11.5623 k = 0.3333 0.5774 0.6759 ( 14472 PWs) bands (ev): -0.6903 -0.6903 -0.4561 -0.4561 0.0640 0.0640 0.0670 0.0670 0.2473 0.2473 0.2501 0.2501 0.5404 0.5404 0.6317 0.6317 4.9362 4.9362 4.9879 4.9879 5.0867 5.0867 5.1447 5.1447 5.7848 5.7848 5.9502 5.9502 6.3948 6.3948 6.4024 6.4024 6.4522 6.4522 6.4787 6.4787 6.9000 6.9000 6.9577 6.9577 6.9899 6.9899 7.0698 7.0698 7.1275 7.1275 7.1414 7.1414 7.2610 7.2610 7.4564 7.4564 8.6713 8.6713 8.7113 8.7113 8.7370 8.7370 8.7885 8.7885 8.8915 8.8915 9.2679 9.2679 9.3804 9.3804 9.3896 9.3896 9.4531 9.4531 9.5159 9.5159 9.5230 9.5230 9.5485 9.5485 10.8330 10.8330 11.0115 11.0115 11.1042 11.1042 11.1099 11.1099 11.1301 11.1301 11.1369 11.1369 11.2253 11.2253 11.4185 11.4185 11.4282 11.4282 11.4877 11.4877 k = 0.3333 0.5774 0.7019 ( 14457 PWs) bands (ev): -0.6334 -0.6334 -0.5161 -0.5161 0.1099 0.1099 0.1129 0.1129 0.2018 0.2018 0.2046 0.2046 0.5632 0.5632 0.6091 0.6091 4.9708 4.9708 5.0242 5.0242 5.0466 5.0466 5.1031 5.1031 5.8222 5.8222 5.9058 5.9058 6.3983 6.3983 6.4018 6.4018 6.4610 6.4610 6.4746 6.4746 6.9277 6.9277 6.9729 6.9729 6.9936 6.9936 7.0794 7.0794 7.1619 7.1619 7.1654 7.1654 7.2242 7.2242 7.3625 7.3625 8.7013 8.7013 8.7371 8.7371 8.7412 8.7412 8.7821 8.7821 8.9764 8.9764 9.1673 9.1673 9.4066 9.4066 9.4090 9.4090 9.4725 9.4725 9.4805 9.4805 9.4829 9.4829 9.5278 9.5278 10.8775 10.8775 10.9706 10.9706 11.1493 11.1493 11.1499 11.1499 11.1673 11.1673 11.1729 11.1729 11.2841 11.2841 11.4087 11.4087 11.4161 11.4161 11.4247 11.4247 k = 0.3333 0.5774 0.7279 ( 14460 PWs) bands (ev): -0.5753 -0.5753 -0.5753 -0.5753 0.1559 0.1559 0.1559 0.1559 0.1588 0.1588 0.1588 0.1588 0.5862 0.5862 0.5862 0.5862 5.0078 5.0078 5.0078 5.0078 5.0627 5.0627 5.0627 5.0627 5.8627 5.8627 5.8627 5.8627 6.4006 6.4006 6.4006 6.4006 6.4686 6.4686 6.4686 6.4686 6.9517 6.9517 6.9517 6.9517 7.0345 7.0345 7.0345 7.0345 7.1896 7.1896 7.1896 7.1896 7.2653 7.2653 7.2653 7.2653 8.7240 8.7240 8.7240 8.7240 8.7655 8.7655 8.7655 8.7655 9.0692 9.0692 9.0692 9.0692 9.4389 9.4389 9.4389 9.4389 9.4409 9.4409 9.4409 9.4409 9.5050 9.5050 9.5050 9.5050 10.9240 10.9240 10.9240 10.9240 11.1743 11.1743 11.1743 11.1743 11.1762 11.1762 11.1762 11.1762 11.3480 11.3480 11.3480 11.3480 11.4240 11.4240 11.4240 11.4240 Writing output data file Zr5Sb3P.save init_run : 0.40s CPU 0.81s WALL ( 1 calls) electrons : 1876.58s CPU 1888.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 1876.57s CPU 1888.59s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.18s WALL ( 213 calls) cegterg : 1772.86s CPU 1783.57s WALL ( 1094 calls) Called by sum_band: Called by *egterg: h_psi : 887.30s CPU 896.14s WALL ( 21902 calls) s_psi : 69.48s CPU 69.58s WALL ( 21902 calls) g_psi : 1.25s CPU 1.25s WALL ( 20595 calls) cdiaghg : 713.46s CPU 715.08s WALL ( 20808 calls) cegterg:over : 74.07s CPU 74.67s WALL ( 20595 calls) cegterg:upda : 54.56s CPU 54.91s WALL ( 20595 calls) cegterg:last : 25.12s CPU 25.18s WALL ( 2151 calls) cdiaghg:chol : 25.58s CPU 25.48s WALL ( 20808 calls) cdiaghg:inve : 20.26s CPU 20.25s WALL ( 20808 calls) cdiaghg:para : 48.45s CPU 48.54s WALL ( 41616 calls) Called by h_psi: h_psi:vloc : 736.22s CPU 744.56s WALL ( 21902 calls) h_psi:vnl : 149.46s CPU 149.95s WALL ( 21902 calls) add_vuspsi : 72.43s CPU 72.80s WALL ( 21902 calls) General routines calbec : 76.90s CPU 77.07s WALL ( 21902 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 716.76s CPU 724.52s WALL ( 2474276 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.44s WALL ( 426 calls) Parallel routines fft_scatter : 509.41s CPU 516.18s WALL ( 2474299 calls) PWSCF : 32m35.76s CPU 33m14.37s WALL This run was terminated on: 9:55:33 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=