Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:34:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./Zr5Sb3Se.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 49 13 2191 1641 239 Max 60 50 14 2196 1652 242 Sum 4267 3559 979 157837 118593 17289 bravais-lattice index = 14 lattice parameter (alat) = 16.0294 a.u. unit-cell volume = 2482.8765 (a.u.)^3 number of atoms/cell = 18 number of atomic types = 3 number of electrons = 82.00 number of Kohn-Sham states= 98 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)= 16.029412 celldm(2)= 1.000000 celldm(3)= 0.696100 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 0.696100 ) 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 1.436575 ) 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Se 6.00 78.96000 Se( 1.00) Sb 5.00 121.76000 Sb( 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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 ) ( 0.3480501 ) 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= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0047619 k( 3) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0047619 k( 4) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0047619 k( 5) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0047619 k( 6) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0047619 k( 7) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0047619 k( 8) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0047619 k( 9) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0047619 k( 10) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0047619 k( 11) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0047619 k( 12) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0047619 k( 13) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0047619 k( 14) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0047619 k( 15) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0047619 k( 16) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0047619 k( 17) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0047619 k( 18) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0047619 k( 19) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0047619 k( 20) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0047619 k( 21) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0047619 k( 22) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0047619 k( 23) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 25) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0047619 k( 26) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0047619 k( 27) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0047619 k( 28) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0047619 k( 29) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0047619 k( 30) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0047619 k( 31) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0047619 k( 32) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0047619 k( 33) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0047619 k( 34) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0047619 k( 35) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0047619 k( 36) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0047619 k( 37) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 38) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 39) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0047619 k( 40) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0047619 k( 41) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0047619 k( 42) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0047619 k( 43) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0047619 k( 44) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0047619 k( 45) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0047619 k( 46) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0047619 k( 47) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0047619 k( 48) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0047619 k( 49) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0047619 k( 50) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0047619 k( 51) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0047619 k( 52) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0047619 k( 53) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0047619 k( 54) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0047619 k( 55) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0047619 k( 56) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0047619 k( 57) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0047619 k( 58) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0047619 k( 59) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0047619 k( 60) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0047619 k( 61) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0047619 k( 62) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0047619 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 65) = ( 0.0000000 0.0000000 0.0266032), wk = 0.0047619 k( 66) = ( 0.0000000 0.0000000 0.0532065), wk = 0.0047619 k( 67) = ( 0.0000000 0.0000000 0.0798097), wk = 0.0047619 k( 68) = ( 0.0000000 0.0000000 0.1064129), wk = 0.0047619 k( 69) = ( 0.0000000 0.0000000 0.1330162), wk = 0.0047619 k( 70) = ( 0.0000000 0.0000000 0.1596194), wk = 0.0047619 k( 71) = ( 0.0000000 0.0000000 0.1862227), wk = 0.0047619 k( 72) = ( 0.0000000 0.0000000 0.2128259), wk = 0.0047619 k( 73) = ( 0.0000000 0.0000000 0.2394292), wk = 0.0047619 k( 74) = ( 0.0000000 0.0000000 0.2660324), wk = 0.0047619 k( 75) = ( 0.0000000 0.0000000 0.2926356), wk = 0.0047619 k( 76) = ( 0.0000000 0.0000000 0.3192389), wk = 0.0047619 k( 77) = ( 0.0000000 0.0000000 0.3458421), wk = 0.0047619 k( 78) = ( 0.0000000 0.0000000 0.3724453), wk = 0.0047619 k( 79) = ( 0.0000000 0.0000000 0.3990486), wk = 0.0047619 k( 80) = ( 0.0000000 0.0000000 0.4256518), wk = 0.0047619 k( 81) = ( 0.0000000 0.0000000 0.4522550), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.4788583), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.5054615), wk = 0.0047619 k( 84) = ( 0.0000000 0.0000000 0.5320648), wk = 0.0047619 k( 85) = ( 0.0000000 0.0000000 0.5586680), wk = 0.0047619 k( 86) = ( 0.0000000 0.0000000 0.5852712), wk = 0.0047619 k( 87) = ( 0.0000000 0.0000000 0.6118745), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.6384777), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.6650810), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.6916842), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.7182874), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.7182874), wk = 0.0047619 k( 93) = ( 0.0227273 0.0131216 0.7182874), wk = 0.0047619 k( 94) = ( 0.0454546 0.0262432 0.7182874), wk = 0.0047619 k( 95) = ( 0.0681818 0.0393648 0.7182874), wk = 0.0047619 k( 96) = ( 0.0909091 0.0524864 0.7182874), wk = 0.0047619 k( 97) = ( 0.1136364 0.0656080 0.7182874), wk = 0.0047619 k( 98) = ( 0.1363636 0.0787296 0.7182874), wk = 0.0047619 k( 99) = ( 0.1590909 0.0918512 0.7182874), wk = 0.0047619 k( 100) = ( 0.1818182 0.1049728 0.7182874), wk = 0.0047619 k( 101) = ( 0.2045454 0.1180944 0.7182874), wk = 0.0047619 k( 102) = ( 0.2272727 0.1312160 0.7182874), wk = 0.0047619 k( 103) = ( 0.2500000 0.1443376 0.7182874), wk = 0.0047619 k( 104) = ( 0.2727273 0.1574592 0.7182874), wk = 0.0047619 k( 105) = ( 0.2954545 0.1705808 0.7182874), wk = 0.0047619 k( 106) = ( 0.3181818 0.1837024 0.7182874), wk = 0.0047619 k( 107) = ( 0.3409091 0.1968240 0.7182874), wk = 0.0047619 k( 108) = ( 0.3636364 0.2099456 0.7182874), wk = 0.0047619 k( 109) = ( 0.3863636 0.2230672 0.7182874), wk = 0.0047619 k( 110) = ( 0.4090909 0.2361887 0.7182874), wk = 0.0047619 k( 111) = ( 0.4318182 0.2493103 0.7182874), wk = 0.0047619 k( 112) = ( 0.4545455 0.2624319 0.7182874), wk = 0.0047619 k( 113) = ( 0.4772727 0.2755535 0.7182874), wk = 0.0047619 k( 114) = ( 0.5000000 0.2886751 0.7182874), wk = 0.0047619 k( 115) = ( 0.5000000 0.2886751 0.7182874), wk = 0.0047619 k( 116) = ( 0.4871795 0.3108809 0.7182874), wk = 0.0047619 k( 117) = ( 0.4743590 0.3330867 0.7182874), wk = 0.0047619 k( 118) = ( 0.4615385 0.3552925 0.7182874), wk = 0.0047619 k( 119) = ( 0.4487179 0.3774983 0.7182874), wk = 0.0047619 k( 120) = ( 0.4358974 0.3997040 0.7182874), wk = 0.0047619 k( 121) = ( 0.4230769 0.4219098 0.7182874), wk = 0.0047619 k( 122) = ( 0.4102564 0.4441156 0.7182874), wk = 0.0047619 k( 123) = ( 0.3974359 0.4663214 0.7182874), wk = 0.0047619 k( 124) = ( 0.3846154 0.4885271 0.7182874), wk = 0.0047619 k( 125) = ( 0.3717949 0.5107329 0.7182874), wk = 0.0047619 k( 126) = ( 0.3589744 0.5329387 0.7182874), wk = 0.0047619 k( 127) = ( 0.3461538 0.5551445 0.7182874), wk = 0.0047619 k( 128) = ( 0.3333333 0.5773503 0.7182874), wk = 0.0047619 k( 129) = ( 0.3333333 0.5773503 0.7182874), wk = 0.0047619 k( 130) = ( 0.3200000 0.5542563 0.7182874), wk = 0.0047619 k( 131) = ( 0.3066667 0.5311623 0.7182874), wk = 0.0047619 k( 132) = ( 0.2933333 0.5080682 0.7182874), wk = 0.0047619 k( 133) = ( 0.2800000 0.4849742 0.7182874), wk = 0.0047619 k( 134) = ( 0.2666667 0.4618802 0.7182874), wk = 0.0047619 k( 135) = ( 0.2533333 0.4387862 0.7182874), wk = 0.0047619 k( 136) = ( 0.2400000 0.4156922 0.7182874), wk = 0.0047619 k( 137) = ( 0.2266667 0.3925982 0.7182874), wk = 0.0047619 k( 138) = ( 0.2133333 0.3695042 0.7182874), wk = 0.0047619 k( 139) = ( 0.2000000 0.3464102 0.7182874), wk = 0.0047619 k( 140) = ( 0.1866667 0.3233162 0.7182874), wk = 0.0047619 k( 141) = ( 0.1733333 0.3002221 0.7182874), wk = 0.0047619 k( 142) = ( 0.1600000 0.2771281 0.7182874), wk = 0.0047619 k( 143) = ( 0.1466667 0.2540341 0.7182874), wk = 0.0047619 k( 144) = ( 0.1333333 0.2309401 0.7182874), wk = 0.0047619 k( 145) = ( 0.1200000 0.2078461 0.7182874), wk = 0.0047619 k( 146) = ( 0.1066667 0.1847521 0.7182874), wk = 0.0047619 k( 147) = ( 0.0933333 0.1616581 0.7182874), wk = 0.0047619 k( 148) = ( 0.0800000 0.1385641 0.7182874), wk = 0.0047619 k( 149) = ( 0.0666667 0.1154701 0.7182874), wk = 0.0047619 k( 150) = ( 0.0533333 0.0923760 0.7182874), wk = 0.0047619 k( 151) = ( 0.0400000 0.0692820 0.7182874), wk = 0.0047619 k( 152) = ( 0.0266667 0.0461880 0.7182874), wk = 0.0047619 k( 153) = ( 0.0133333 0.0230940 0.7182874), wk = 0.0047619 k( 154) = ( 0.0000000 0.0000000 0.7182874), wk = 0.0047619 k( 155) = ( 0.5000000 0.2886751 0.7182874), wk = 0.0047619 k( 156) = ( 0.5000000 0.2886751 0.6916842), wk = 0.0047619 k( 157) = ( 0.5000000 0.2886751 0.6650810), wk = 0.0047619 k( 158) = ( 0.5000000 0.2886751 0.6384777), wk = 0.0047619 k( 159) = ( 0.5000000 0.2886751 0.6118745), wk = 0.0047619 k( 160) = ( 0.5000000 0.2886751 0.5852712), wk = 0.0047619 k( 161) = ( 0.5000000 0.2886751 0.5586680), wk = 0.0047619 k( 162) = ( 0.5000000 0.2886751 0.5320648), wk = 0.0047619 k( 163) = ( 0.5000000 0.2886751 0.5054615), wk = 0.0047619 k( 164) = ( 0.5000000 0.2886751 0.4788583), wk = 0.0047619 k( 165) = ( 0.5000000 0.2886751 0.4522550), wk = 0.0047619 k( 166) = ( 0.5000000 0.2886751 0.4256518), wk = 0.0047619 k( 167) = ( 0.5000000 0.2886751 0.3990486), wk = 0.0047619 k( 168) = ( 0.5000000 0.2886751 0.3724453), wk = 0.0047619 k( 169) = ( 0.5000000 0.2886751 0.3458421), wk = 0.0047619 k( 170) = ( 0.5000000 0.2886751 0.3192389), wk = 0.0047619 k( 171) = ( 0.5000000 0.2886751 0.2926356), wk = 0.0047619 k( 172) = ( 0.5000000 0.2886751 0.2660324), wk = 0.0047619 k( 173) = ( 0.5000000 0.2886751 0.2394292), wk = 0.0047619 k( 174) = ( 0.5000000 0.2886751 0.2128259), wk = 0.0047619 k( 175) = ( 0.5000000 0.2886751 0.1862227), wk = 0.0047619 k( 176) = ( 0.5000000 0.2886751 0.1596194), wk = 0.0047619 k( 177) = ( 0.5000000 0.2886751 0.1330162), wk = 0.0047619 k( 178) = ( 0.5000000 0.2886751 0.1064129), wk = 0.0047619 k( 179) = ( 0.5000000 0.2886751 0.0798097), wk = 0.0047619 k( 180) = ( 0.5000000 0.2886751 0.0532065), wk = 0.0047619 k( 181) = ( 0.5000000 0.2886751 0.0266032), wk = 0.0047619 k( 182) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047619 k( 183) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047619 k( 184) = ( 0.3333333 0.5773503 0.0266032), wk = 0.0047619 k( 185) = ( 0.3333333 0.5773503 0.0532065), wk = 0.0047619 k( 186) = ( 0.3333333 0.5773503 0.0798097), wk = 0.0047619 k( 187) = ( 0.3333333 0.5773503 0.1064129), wk = 0.0047619 k( 188) = ( 0.3333333 0.5773503 0.1330162), wk = 0.0047619 k( 189) = ( 0.3333333 0.5773503 0.1596194), wk = 0.0047619 k( 190) = ( 0.3333333 0.5773503 0.1862227), wk = 0.0047619 k( 191) = ( 0.3333333 0.5773503 0.2128259), wk = 0.0047619 k( 192) = ( 0.3333333 0.5773503 0.2394292), wk = 0.0047619 k( 193) = ( 0.3333333 0.5773503 0.2660324), wk = 0.0047619 k( 194) = ( 0.3333333 0.5773503 0.2926356), wk = 0.0047619 k( 195) = ( 0.3333333 0.5773503 0.3192389), wk = 0.0047619 k( 196) = ( 0.3333333 0.5773503 0.3458421), wk = 0.0047619 k( 197) = ( 0.3333333 0.5773503 0.3724453), wk = 0.0047619 k( 198) = ( 0.3333333 0.5773503 0.3990486), wk = 0.0047619 k( 199) = ( 0.3333333 0.5773503 0.4256518), wk = 0.0047619 k( 200) = ( 0.3333333 0.5773503 0.4522550), wk = 0.0047619 k( 201) = ( 0.3333333 0.5773503 0.4788583), wk = 0.0047619 k( 202) = ( 0.3333333 0.5773503 0.5054615), wk = 0.0047619 k( 203) = ( 0.3333333 0.5773503 0.5320648), wk = 0.0047619 k( 204) = ( 0.3333333 0.5773503 0.5586680), wk = 0.0047619 k( 205) = ( 0.3333333 0.5773503 0.5852712), wk = 0.0047619 k( 206) = ( 0.3333333 0.5773503 0.6118745), wk = 0.0047619 k( 207) = ( 0.3333333 0.5773503 0.6384777), wk = 0.0047619 k( 208) = ( 0.3333333 0.5773503 0.6650810), wk = 0.0047619 k( 209) = ( 0.3333333 0.5773503 0.6916842), wk = 0.0047619 k( 210) = ( 0.3333333 0.5773503 0.7182874), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0047619 k( 3) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0047619 k( 4) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0047619 k( 5) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0047619 k( 6) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0047619 k( 7) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0047619 k( 8) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0047619 k( 9) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0047619 k( 10) = ( 0.2045454 -0.0000000 0.0000000), wk = 0.0047619 k( 11) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0047619 k( 12) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0047619 k( 13) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0047619 k( 14) = ( 0.2954545 -0.0000000 0.0000000), wk = 0.0047619 k( 15) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0047619 k( 16) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0047619 k( 17) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0047619 k( 18) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0047619 k( 19) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0047619 k( 20) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0047619 k( 21) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0047619 k( 22) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0047619 k( 23) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0047619 k( 24) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0047619 k( 25) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0047619 k( 26) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0047619 k( 27) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0047619 k( 28) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0047619 k( 29) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0047619 k( 30) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0047619 k( 31) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0047619 k( 32) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0047619 k( 33) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0047619 k( 34) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0047619 k( 35) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0047619 k( 36) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0047619 k( 37) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047619 k( 38) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047619 k( 39) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0047619 k( 40) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0047619 k( 41) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0047619 k( 42) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0047619 k( 43) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0047619 k( 44) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0047619 k( 45) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0047619 k( 46) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0047619 k( 47) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0047619 k( 48) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0047619 k( 49) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0047619 k( 50) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0047619 k( 51) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0047619 k( 52) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0047619 k( 53) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0047619 k( 54) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0047619 k( 55) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0047619 k( 56) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0047619 k( 57) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0047619 k( 58) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0047619 k( 59) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0047619 k( 60) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0047619 k( 61) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0047619 k( 62) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0047619 k( 63) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 64) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 65) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0047619 k( 66) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0047619 k( 67) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0047619 k( 68) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0047619 k( 69) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0047619 k( 70) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0047619 k( 71) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0047619 k( 72) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0047619 k( 73) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0047619 k( 74) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0047619 k( 75) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0047619 k( 76) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0047619 k( 77) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0047619 k( 78) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0047619 k( 79) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0047619 k( 80) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0047619 k( 81) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0047619 k( 82) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0047619 k( 83) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0047619 k( 84) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0047619 k( 85) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0047619 k( 86) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0047619 k( 87) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0047619 k( 88) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0047619 k( 89) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0047619 k( 90) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0047619 k( 91) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 93) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0047619 k( 94) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0047619 k( 95) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0047619 k( 96) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0047619 k( 97) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0047619 k( 98) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0047619 k( 99) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0047619 k( 100) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0047619 k( 101) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0047619 k( 102) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0047619 k( 103) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0047619 k( 104) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0047619 k( 105) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0047619 k( 106) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0047619 k( 107) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0047619 k( 108) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0047619 k( 109) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0047619 k( 110) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0047619 k( 111) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0047619 k( 112) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0047619 k( 113) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0047619 k( 114) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0047619 k( 115) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0047619 k( 116) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0047619 k( 117) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0047619 k( 118) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0047619 k( 119) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0047619 k( 120) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0047619 k( 121) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0047619 k( 122) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0047619 k( 123) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0047619 k( 124) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0047619 k( 125) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0047619 k( 126) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0047619 k( 127) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0047619 k( 128) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 k( 129) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 k( 130) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0047619 k( 131) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0047619 k( 132) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0047619 k( 133) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0047619 k( 134) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0047619 k( 135) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0047619 k( 136) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0047619 k( 137) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0047619 k( 138) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0047619 k( 139) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0047619 k( 140) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0047619 k( 141) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0047619 k( 142) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0047619 k( 143) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0047619 k( 144) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0047619 k( 145) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0047619 k( 146) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0047619 k( 147) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0047619 k( 148) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0047619 k( 149) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0047619 k( 150) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0047619 k( 151) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0047619 k( 152) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0047619 k( 153) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0047619 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047619 k( 155) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0047619 k( 156) = ( 0.5000000 -0.0000000 0.4814815), wk = 0.0047619 k( 157) = ( 0.5000000 -0.0000000 0.4629630), wk = 0.0047619 k( 158) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0047619 k( 159) = ( 0.5000000 -0.0000000 0.4259259), wk = 0.0047619 k( 160) = ( 0.5000000 -0.0000000 0.4074074), wk = 0.0047619 k( 161) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0047619 k( 162) = ( 0.5000000 -0.0000000 0.3703704), wk = 0.0047619 k( 163) = ( 0.5000000 -0.0000000 0.3518519), wk = 0.0047619 k( 164) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0047619 k( 165) = ( 0.5000000 -0.0000000 0.3148148), wk = 0.0047619 k( 166) = ( 0.5000000 -0.0000000 0.2962963), wk = 0.0047619 k( 167) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0047619 k( 168) = ( 0.5000000 -0.0000000 0.2592593), wk = 0.0047619 k( 169) = ( 0.5000000 -0.0000000 0.2407407), wk = 0.0047619 k( 170) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0047619 k( 171) = ( 0.5000000 -0.0000000 0.2037037), wk = 0.0047619 k( 172) = ( 0.5000000 -0.0000000 0.1851852), wk = 0.0047619 k( 173) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0047619 k( 174) = ( 0.5000000 -0.0000000 0.1481482), wk = 0.0047619 k( 175) = ( 0.5000000 -0.0000000 0.1296296), wk = 0.0047619 k( 176) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0047619 k( 177) = ( 0.5000000 -0.0000000 0.0925926), wk = 0.0047619 k( 178) = ( 0.5000000 -0.0000000 0.0740741), wk = 0.0047619 k( 179) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0047619 k( 180) = ( 0.5000000 -0.0000000 0.0370370), wk = 0.0047619 k( 181) = ( 0.5000000 -0.0000000 0.0185185), wk = 0.0047619 k( 182) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0047619 k( 183) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0047619 k( 184) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0047619 k( 185) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0047619 k( 186) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0047619 k( 187) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0047619 k( 188) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0047619 k( 189) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0047619 k( 190) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0047619 k( 191) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0047619 k( 192) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0047619 k( 193) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0047619 k( 194) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0047619 k( 195) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0047619 k( 196) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0047619 k( 197) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0047619 k( 198) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0047619 k( 199) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0047619 k( 200) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0047619 k( 201) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 202) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0047619 k( 203) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0047619 k( 204) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0047619 k( 205) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0047619 k( 206) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0047619 k( 207) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0047619 k( 208) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0047619 k( 209) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0047619 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047619 Dense grid: 157837 G-vectors FFT dimensions: ( 80, 80, 60) Smooth grid: 118593 G-vectors FFT dimensions: ( 75, 75, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.65 Mb ( 432, 98) NL pseudopotentials 1.29 Mb ( 216, 392) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2196) G-vector shells 0.01 Mb ( 1088) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.58 Mb ( 432, 392) Each subspace H/S matrix 0.06 Mb ( 65, 65) Each matrix 1.17 Mb ( 392, 2, 98) The potential is recalculated from file : ./Zr5Sb3Se.save/charge-density.dat Starting wfc are 244 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 11.3 secs Computing kpt #: 2 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 22.6 secs Computing kpt #: 3 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 34.1 secs Computing kpt #: 4 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 46.1 secs Computing kpt #: 5 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 57.0 secs Computing kpt #: 6 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 67.2 secs Computing kpt #: 7 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 77.8 secs Computing kpt #: 8 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 88.2 secs Computing kpt #: 9 total cpu time spent up to now is 98.0 secs Computing kpt #: 10 total cpu time spent up to now is 107.9 secs Computing kpt #: 11 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 119.2 secs Computing kpt #: 12 total cpu time spent up to now is 128.3 secs Computing kpt #: 13 total cpu time spent up to now is 135.5 secs Computing kpt #: 14 total cpu time spent up to now is 142.9 secs Computing kpt #: 15 total cpu time spent up to now is 149.5 secs Computing kpt #: 16 total cpu time spent up to now is 156.0 secs Computing kpt #: 17 total cpu time spent up to now is 163.2 secs Computing kpt #: 18 total cpu time spent up to now is 170.1 secs Computing kpt #: 19 total cpu time spent up to now is 176.9 secs Computing kpt #: 20 total cpu time spent up to now is 183.7 secs Computing kpt #: 21 total cpu time spent up to now is 190.9 secs Computing kpt #: 22 total cpu time spent up to now is 198.3 secs Computing kpt #: 23 total cpu time spent up to now is 205.1 secs Computing kpt #: 24 total cpu time spent up to now is 211.8 secs Computing kpt #: 25 total cpu time spent up to now is 217.9 secs Computing kpt #: 26 total cpu time spent up to now is 225.5 secs Computing kpt #: 27 total cpu time spent up to now is 233.4 secs Computing kpt #: 28 total cpu time spent up to now is 242.7 secs Computing kpt #: 29 total cpu time spent up to now is 251.9 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.1 secs Computing kpt #: 31 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 273.2 secs Computing kpt #: 32 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 283.6 secs Computing kpt #: 33 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 293.7 secs Computing kpt #: 34 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 303.9 secs Computing kpt #: 35 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 314.3 secs Computing kpt #: 36 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 325.2 secs Computing kpt #: 37 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 336.0 secs Computing kpt #: 38 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 347.0 secs Computing kpt #: 39 c_bands: 6 eigenvalues not converged total cpu time spent up to now is 358.9 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 369.1 secs Computing kpt #: 41 total cpu time spent up to now is 376.2 secs Computing kpt #: 42 total cpu time spent up to now is 385.6 secs Computing kpt #: 43 total cpu time spent up to now is 394.8 secs Computing kpt #: 44 total cpu time spent up to now is 403.1 secs Computing kpt #: 45 total cpu time spent up to now is 412.0 secs Computing kpt #: 46 total cpu time spent up to now is 421.2 secs Computing kpt #: 47 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 431.7 secs Computing kpt #: 48 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 443.6 secs Computing kpt #: 49 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 453.7 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 463.6 secs Computing kpt #: 51 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 473.6 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.2 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 493.1 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 504.2 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 514.8 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 525.5 secs Computing kpt #: 57 total cpu time spent up to now is 535.9 secs Computing kpt #: 58 total cpu time spent up to now is 546.9 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.9 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.2 secs Computing kpt #: 61 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 585.5 secs Computing kpt #: 62 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 598.9 secs Computing kpt #: 63 total cpu time spent up to now is 609.5 secs Computing kpt #: 64 total cpu time spent up to now is 620.0 secs Computing kpt #: 65 total cpu time spent up to now is 629.4 secs Computing kpt #: 66 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 641.5 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 654.1 secs Computing kpt #: 68 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 666.9 secs Computing kpt #: 69 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 679.9 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 690.8 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 703.0 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 714.5 secs Computing kpt #: 73 total cpu time spent up to now is 723.3 secs Computing kpt #: 74 total cpu time spent up to now is 732.0 secs Computing kpt #: 75 total cpu time spent up to now is 742.4 secs Computing kpt #: 76 total cpu time spent up to now is 752.2 secs Computing kpt #: 77 total cpu time spent up to now is 762.6 secs Computing kpt #: 78 total cpu time spent up to now is 771.9 secs Computing kpt #: 79 total cpu time spent up to now is 780.8 secs Computing kpt #: 80 total cpu time spent up to now is 790.1 secs Computing kpt #: 81 total cpu time spent up to now is 798.7 secs Computing kpt #: 82 total cpu time spent up to now is 807.2 secs Computing kpt #: 83 total cpu time spent up to now is 818.6 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 830.8 secs Computing kpt #: 85 total cpu time spent up to now is 841.1 secs Computing kpt #: 86 total cpu time spent up to now is 850.1 secs Computing kpt #: 87 total cpu time spent up to now is 857.8 secs Computing kpt #: 88 total cpu time spent up to now is 866.0 secs Computing kpt #: 89 total cpu time spent up to now is 874.9 secs Computing kpt #: 90 total cpu time spent up to now is 884.0 secs Computing kpt #: 91 total cpu time spent up to now is 892.8 secs Computing kpt #: 92 total cpu time spent up to now is 901.2 secs Computing kpt #: 93 total cpu time spent up to now is 910.4 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 923.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 934.3 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 946.9 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 957.5 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 968.9 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 980.0 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 991.8 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1004.0 secs Computing kpt #: 102 total cpu time spent up to now is 1015.9 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1026.8 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1038.2 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1049.5 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1061.1 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1074.0 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1084.5 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1096.0 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1106.8 secs Computing kpt #: 111 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1118.6 secs Computing kpt #: 112 total cpu time spent up to now is 1130.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1143.5 secs Computing kpt #: 114 total cpu time spent up to now is 1151.7 secs Computing kpt #: 115 total cpu time spent up to now is 1160.2 secs Computing kpt #: 116 total cpu time spent up to now is 1168.1 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1178.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1189.7 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1201.6 secs Computing kpt #: 120 total cpu time spent up to now is 1211.6 secs Computing kpt #: 121 total cpu time spent up to now is 1221.3 secs Computing kpt #: 122 total cpu time spent up to now is 1230.0 secs Computing kpt #: 123 total cpu time spent up to now is 1237.9 secs Computing kpt #: 124 total cpu time spent up to now is 1246.3 secs Computing kpt #: 125 total cpu time spent up to now is 1255.9 secs Computing kpt #: 126 total cpu time spent up to now is 1268.0 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1279.0 secs Computing kpt #: 128 total cpu time spent up to now is 1289.6 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1301.0 secs Computing kpt #: 130 total cpu time spent up to now is 1311.5 secs Computing kpt #: 131 total cpu time spent up to now is 1319.7 secs Computing kpt #: 132 total cpu time spent up to now is 1327.3 secs Computing kpt #: 133 total cpu time spent up to now is 1336.9 secs Computing kpt #: 134 total cpu time spent up to now is 1346.9 secs Computing kpt #: 135 total cpu time spent up to now is 1356.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1367.3 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1378.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1391.3 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1403.2 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1414.5 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1425.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1437.1 secs Computing kpt #: 143 total cpu time spent up to now is 1447.4 secs Computing kpt #: 144 total cpu time spent up to now is 1460.6 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1473.6 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1486.1 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1497.0 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1508.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1520.0 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1532.4 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1543.4 secs Computing kpt #: 152 total cpu time spent up to now is 1555.5 secs Computing kpt #: 153 total cpu time spent up to now is 1564.9 secs Computing kpt #: 154 total cpu time spent up to now is 1573.1 secs Computing kpt #: 155 total cpu time spent up to now is 1583.0 secs Computing kpt #: 156 total cpu time spent up to now is 1593.2 secs Computing kpt #: 157 total cpu time spent up to now is 1601.6 secs Computing kpt #: 158 total cpu time spent up to now is 1609.2 secs Computing kpt #: 159 total cpu time spent up to now is 1616.0 secs Computing kpt #: 160 total cpu time spent up to now is 1622.1 secs Computing kpt #: 161 total cpu time spent up to now is 1628.8 secs Computing kpt #: 162 total cpu time spent up to now is 1636.3 secs Computing kpt #: 163 total cpu time spent up to now is 1643.6 secs Computing kpt #: 164 total cpu time spent up to now is 1651.6 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1663.9 secs Computing kpt #: 166 total cpu time spent up to now is 1672.7 secs Computing kpt #: 167 total cpu time spent up to now is 1680.1 secs Computing kpt #: 168 total cpu time spent up to now is 1686.9 secs Computing kpt #: 169 total cpu time spent up to now is 1693.5 secs Computing kpt #: 170 total cpu time spent up to now is 1700.5 secs Computing kpt #: 171 total cpu time spent up to now is 1708.2 secs Computing kpt #: 172 total cpu time spent up to now is 1714.7 secs Computing kpt #: 173 total cpu time spent up to now is 1721.8 secs Computing kpt #: 174 total cpu time spent up to now is 1729.0 secs Computing kpt #: 175 total cpu time spent up to now is 1736.4 secs Computing kpt #: 176 total cpu time spent up to now is 1743.3 secs Computing kpt #: 177 total cpu time spent up to now is 1750.6 secs Computing kpt #: 178 total cpu time spent up to now is 1758.4 secs Computing kpt #: 179 total cpu time spent up to now is 1768.7 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1784.0 secs Computing kpt #: 181 total cpu time spent up to now is 1798.7 secs Computing kpt #: 182 total cpu time spent up to now is 1809.9 secs Computing kpt #: 183 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 1825.8 secs Computing kpt #: 184 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 1841.6 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1857.9 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1874.7 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1888.6 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1902.5 secs Computing kpt #: 189 total cpu time spent up to now is 1910.1 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1920.0 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1930.6 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1941.2 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1952.2 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1962.5 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1972.7 secs Computing kpt #: 196 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1983.4 secs Computing kpt #: 197 total cpu time spent up to now is 1992.1 secs Computing kpt #: 198 total cpu time spent up to now is 2000.1 secs Computing kpt #: 199 total cpu time spent up to now is 2007.8 secs Computing kpt #: 200 total cpu time spent up to now is 2016.2 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2026.5 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2037.8 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2047.8 secs Computing kpt #: 204 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2058.9 secs Computing kpt #: 205 total cpu time spent up to now is 2068.8 secs Computing kpt #: 206 total cpu time spent up to now is 2077.7 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2088.3 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2098.4 secs Computing kpt #: 209 total cpu time spent up to now is 2108.1 secs Computing kpt #: 210 total cpu time spent up to now is 2117.4 secs ethr = 1.22E-08, avg # of iterations = 95.6 total cpu time spent up to now is 2117.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14773 PWs) bands (ev): -4.6656 -4.6656 -2.8839 -2.8839 -0.8147 -0.8147 0.0308 0.0308 0.0321 0.0321 0.7225 0.7225 0.7307 0.7307 0.9729 0.9729 3.7676 3.7676 4.4428 4.4428 4.4983 4.4983 4.8565 4.8565 5.1977 5.1977 5.7479 5.7479 5.8932 5.8932 6.0197 6.0197 6.1729 6.1729 6.3644 6.3644 6.3814 6.3814 6.3922 6.3922 6.6252 6.6252 6.6294 6.6294 6.7483 6.7483 6.7904 6.7904 8.1013 8.1013 8.3571 8.3571 8.4069 8.4069 8.4378 8.4378 8.4533 8.4533 8.5377 8.5377 8.7974 8.7974 8.8240 8.8240 8.9693 8.9693 8.9895 8.9895 9.0802 9.0802 9.0883 9.0883 9.3087 9.3087 9.6346 9.6346 10.8055 10.8055 10.9247 10.9247 11.2990 11.2990 11.3562 11.3562 11.5884 11.5884 11.6536 11.6536 11.7459 11.7459 11.8804 11.8804 11.9210 11.9210 11.9689 11.9689 11.9695 11.9695 k = 0.0227 0.0131-0.0000 ( 14765 PWs) bands (ev): -4.6655 -4.6655 -2.8839 -2.8839 -0.8144 -0.8144 0.0294 0.0294 0.0310 0.0310 0.7233 0.7233 0.7314 0.7314 0.9734 0.9734 3.7656 3.7656 4.4437 4.4437 4.4993 4.4993 4.8572 4.8572 5.1981 5.1981 5.7482 5.7482 5.8935 5.8935 6.0214 6.0214 6.1718 6.1718 6.3674 6.3674 6.3817 6.3817 6.3938 6.3938 6.6154 6.6154 6.6265 6.6265 6.7554 6.7554 6.7967 6.7967 8.0999 8.0999 8.3534 8.3534 8.4064 8.4064 8.4370 8.4370 8.4567 8.4567 8.5282 8.5282 8.7676 8.7676 8.8511 8.8511 8.9750 8.9750 8.9917 8.9917 9.0723 9.0723 9.0867 9.0867 9.3211 9.3211 9.6341 9.6341 10.8031 10.8031 10.9224 10.9224 11.2986 11.2986 11.3526 11.3526 11.5782 11.5782 11.6479 11.6479 11.7415 11.7415 11.8774 11.8775 11.9072 11.9072 11.9501 11.9501 11.9657 11.9659 k = 0.0455 0.0262-0.0000 ( 14769 PWs) bands (ev): -4.6652 -4.6652 -2.8839 -2.8839 -0.8135 -0.8135 0.0246 0.0246 0.0283 0.0283 0.7255 0.7255 0.7335 0.7335 0.9747 0.9747 3.7595 3.7595 4.4466 4.4466 4.5024 4.5024 4.8593 4.8593 5.1994 5.1994 5.7490 5.7490 5.8944 5.8944 6.0263 6.0263 6.1686 6.1686 6.3763 6.3763 6.3828 6.3828 6.3988 6.3988 6.5831 6.5831 6.6302 6.6302 6.7675 6.7675 6.8156 6.8156 8.0954 8.0954 8.3424 8.3424 8.4047 8.4047 8.4346 8.4346 8.4671 8.4671 8.5011 8.5011 8.7273 8.7273 8.8811 8.8811 8.9915 8.9915 8.9997 8.9997 9.0466 9.0466 9.0894 9.0894 9.3530 9.3530 9.6327 9.6327 10.7959 10.7959 10.9153 10.9153 11.2963 11.2963 11.3421 11.3421 11.5488 11.5488 11.6331 11.6331 11.7287 11.7287 11.8678 11.8678 11.8831 11.8831 11.9320 11.9320 11.9572 11.9574 k = 0.0682 0.0394-0.0000 ( 14769 PWs) bands (ev): -4.6647 -4.6647 -2.8840 -2.8840 -0.8121 -0.8121 0.0165 0.0165 0.0244 0.0244 0.7290 0.7290 0.7369 0.7369 0.9770 0.9770 3.7493 3.7493 4.4513 4.4513 4.5074 4.5074 4.8632 4.8632 5.2014 5.2014 5.7505 5.7505 5.8959 5.8959 6.0334 6.0334 6.1636 6.1636 6.3840 6.3840 6.3909 6.3909 6.4071 6.4071 6.5440 6.5440 6.6365 6.6365 6.7790 6.7790 6.8421 6.8421 8.0880 8.0880 8.3244 8.3244 8.4013 8.4013 8.4309 8.4309 8.4604 8.4604 8.4844 8.4844 8.6866 8.6866 8.9013 8.9013 9.0038 9.0038 9.0121 9.0121 9.0284 9.0284 9.0952 9.0952 9.3961 9.3961 9.6303 9.6303 10.7839 10.7839 10.9037 10.9037 11.2886 11.2886 11.3260 11.3260 11.5061 11.5061 11.6127 11.6127 11.7098 11.7098 11.8503 11.8503 11.8662 11.8662 11.9193 11.9193 11.9451 11.9455 k = 0.0909 0.0525-0.0000 ( 14757 PWs) bands (ev): -4.6640 -4.6640 -2.8840 -2.8840 -0.8101 -0.8101 0.0053 0.0053 0.0191 0.0191 0.7336 0.7336 0.7414 0.7414 0.9804 0.9804 3.7353 3.7353 4.4578 4.4578 4.5144 4.5144 4.8691 4.8691 5.2043 5.2043 5.7524 5.7524 5.8979 5.8979 6.0412 6.0412 6.1576 6.1576 6.3857 6.3857 6.4079 6.4079 6.4182 6.4182 6.5061 6.5061 6.6452 6.6452 6.7914 6.7914 6.8701 6.8701 8.0775 8.0775 8.2999 8.2999 8.3926 8.3926 8.4135 8.4135 8.4266 8.4266 8.5078 8.5078 8.6454 8.6454 8.9124 8.9124 8.9735 8.9735 9.0209 9.0209 9.0655 9.0655 9.1032 9.1032 9.4452 9.4452 9.6269 9.6269 10.7670 10.7670 10.8879 10.8879 11.2671 11.2671 11.3087 11.3087 11.4606 11.4606 11.5891 11.5891 11.6869 11.6869 11.8254 11.8254 11.8560 11.8560 11.9114 11.9114 11.9317 11.9324 k = 0.1136 0.0656-0.0000 ( 14761 PWs) bands (ev): -4.6631 -4.6631 -2.8840 -2.8840 -0.8076 -0.8076 -0.0086 -0.0086 0.0126 0.0126 0.7390 0.7390 0.7469 0.7469 0.9848 0.9848 3.7177 3.7177 4.4658 4.4658 4.5231 4.5231 4.8777 4.8777 5.2081 5.2081 5.7547 5.7547 5.9004 5.9004 6.0471 6.0471 6.1524 6.1524 6.3824 6.3824 6.4252 6.4252 6.4266 6.4266 6.4845 6.4845 6.6566 6.6566 6.8058 6.8058 6.8965 6.8965 8.0640 8.0640 8.2691 8.2691 8.3485 8.3485 8.3935 8.3935 8.4218 8.4218 8.5372 8.5372 8.6036 8.6036 8.9136 8.9136 8.9419 8.9419 9.0364 9.0364 9.1070 9.1070 9.1138 9.1138 9.4979 9.4979 9.6226 9.6226 10.7451 10.7451 10.8684 10.8684 11.2264 11.2264 11.2911 11.2911 11.4215 11.4215 11.5654 11.5654 11.6620 11.6620 11.7925 11.7925 11.8508 11.8508 11.9075 11.9076 11.9186 11.9189 k = 0.1364 0.0787-0.0000 ( 14775 PWs) bands (ev): -4.6621 -4.6621 -2.8841 -2.8841 -0.8044 -0.8044 -0.0248 -0.0248 0.0051 0.0051 0.7451 0.7451 0.7531 0.7531 0.9903 0.9903 3.6968 3.6968 4.4754 4.4754 4.5335 4.5335 4.8891 4.8891 5.2127 5.2127 5.7573 5.7573 5.9032 5.9032 6.0480 6.0480 6.1501 6.1501 6.3614 6.3614 6.4277 6.4277 6.4438 6.4438 6.4966 6.4966 6.6706 6.6706 6.8222 6.8222 6.9201 6.9201 8.0472 8.0472 8.2325 8.2325 8.2883 8.2883 8.3837 8.3837 8.4171 8.4171 8.5613 8.5613 8.5718 8.5718 8.8896 8.8896 8.9337 8.9337 9.0533 9.0533 9.1238 9.1238 9.1513 9.1513 9.5528 9.5528 9.6172 9.6172 10.7182 10.7182 10.8457 10.8457 11.1708 11.1708 11.2690 11.2690 11.3905 11.3905 11.5459 11.5459 11.6361 11.6361 11.7524 11.7524 11.8490 11.8490 11.9041 11.9052 11.9077 11.9077 k = 0.1591 0.0919-0.0000 ( 14801 PWs) bands (ev): -4.6609 -4.6609 -2.8841 -2.8841 -0.8007 -0.8007 -0.0431 -0.0431 -0.0031 -0.0031 0.7517 0.7517 0.7596 0.7596 0.9970 0.9970 3.6731 3.6731 4.4865 4.4865 4.5451 4.5451 4.9038 4.9038 5.2181 5.2181 5.7601 5.7601 5.9060 5.9060 6.0419 6.0419 6.1521 6.1521 6.3242 6.3242 6.4370 6.4370 6.4635 6.4635 6.5258 6.5258 6.6872 6.6872 6.8405 6.8405 6.9405 6.9405 8.0272 8.0272 8.1906 8.1906 8.2253 8.2253 8.3729 8.3729 8.4123 8.4123 8.5189 8.5189 8.6108 8.6108 8.8557 8.8557 8.9361 8.9361 9.0711 9.0711 9.1364 9.1364 9.1933 9.1933 9.6075 9.6075 9.6123 9.6123 10.6866 10.6866 10.8203 10.8203 11.1063 11.1063 11.2426 11.2426 11.3612 11.3612 11.5353 11.5353 11.6099 11.6099 11.7065 11.7065 11.8494 11.8494 11.8926 11.8926 11.9059 11.9059 k = 0.1818 0.1050-0.0000 ( 14797 PWs) bands (ev): -4.6596 -4.6596 -2.8841 -2.8841 -0.7964 -0.7964 -0.0630 -0.0630 -0.0119 -0.0119 0.7584 0.7584 0.7662 0.7662 1.0050 1.0050 3.6469 3.6469 4.4987 4.4987 4.5579 4.5579 4.9218 4.9218 5.2245 5.2245 5.7629 5.7629 5.9084 5.9084 6.0297 6.0297 6.1567 6.1567 6.2832 6.2832 6.4529 6.4529 6.4851 6.4851 6.5605 6.5605 6.7065 6.7065 6.8606 6.8606 6.9579 6.9579 8.0037 8.0037 8.1438 8.1438 8.1623 8.1623 8.3609 8.3609 8.4071 8.4071 8.4770 8.4770 8.6536 8.6536 8.8223 8.8223 8.9398 8.9398 9.0895 9.0895 9.1499 9.1499 9.2335 9.2335 9.6028 9.6028 9.6667 9.6667 10.6509 10.6509 10.7927 10.7927 11.0377 11.0377 11.2138 11.2138 11.3279 11.3279 11.5354 11.5354 11.5839 11.5839 11.6565 11.6565 11.8511 11.8511 11.8814 11.8814 11.9044 11.9044 k = 0.2045 0.1181-0.0000 ( 14811 PWs) bands (ev): -4.6583 -4.6583 -2.8842 -2.8842 -0.7915 -0.7915 -0.0843 -0.0843 -0.0210 -0.0210 0.7652 0.7652 0.7726 0.7726 1.0140 1.0140 3.6189 3.6189 4.5121 4.5121 4.5717 4.5717 4.9428 4.9428 5.2317 5.2317 5.7656 5.7656 5.9095 5.9095 6.0143 6.0143 6.1595 6.1595 6.2458 6.2458 6.4735 6.4735 6.5080 6.5080 6.5970 6.5970 6.7283 6.7283 6.8819 6.8819 6.9727 6.9727 7.9763 7.9763 8.0908 8.0908 8.1027 8.1027 8.3480 8.3480 8.3999 8.3999 8.4376 8.4376 8.6991 8.6991 8.7910 8.7910 8.9441 8.9441 9.1085 9.1085 9.1640 9.1640 9.2712 9.2712 9.5939 9.5939 9.7246 9.7246 10.6119 10.6119 10.7634 10.7634 10.9684 10.9684 11.1844 11.1844 11.2891 11.2891 11.5447 11.5447 11.5588 11.5588 11.6039 11.6039 11.8531 11.8531 11.8711 11.8711 11.9041 11.9041 k = 0.2273 0.1312-0.0000 ( 14817 PWs) bands (ev): -4.6568 -4.6568 -2.8842 -2.8842 -0.7861 -0.7861 -0.1064 -0.1064 -0.0302 -0.0302 0.7719 0.7719 0.7786 0.7786 1.0242 1.0242 3.5896 3.5896 4.5262 4.5262 4.5864 4.5864 4.9662 4.9662 5.2397 5.2397 5.7681 5.7681 5.9076 5.9076 5.9992 5.9992 6.1524 6.1524 6.2206 6.2206 6.4974 6.4974 6.5318 6.5318 6.6333 6.6333 6.7524 6.7524 6.9040 6.9040 6.9859 6.9859 7.9438 7.9438 8.0330 8.0330 8.0484 8.0484 8.3344 8.3344 8.3825 8.3825 8.4093 8.4093 8.7454 8.7454 8.7636 8.7636 8.9491 8.9491 9.1279 9.1279 9.1787 9.1787 9.3061 9.3061 9.5839 9.5839 9.7828 9.7828 10.5706 10.5706 10.7326 10.7326 10.9001 10.9001 11.1553 11.1553 11.2460 11.2460 11.5319 11.5319 11.5474 11.5474 11.5665 11.5665 11.8533 11.8533 11.8631 11.8631 11.9057 11.9057 k = 0.2500 0.1443-0.0000 ( 14835 PWs) bands (ev): -4.6554 -4.6554 -2.8843 -2.8843 -0.7802 -0.7802 -0.1290 -0.1290 -0.0394 -0.0394 0.7783 0.7783 0.7841 0.7841 1.0352 1.0352 3.5598 3.5598 4.5409 4.5409 4.6022 4.6022 4.9911 4.9911 5.2486 5.2486 5.7702 5.7702 5.9009 5.9009 5.9878 5.9878 6.1301 6.1301 6.2134 6.2134 6.5231 6.5231 6.5555 6.5555 6.6679 6.6679 6.7786 6.7786 6.9267 6.9267 6.9986 6.9986 7.9039 7.9039 7.9778 7.9778 7.9962 7.9962 8.3198 8.3198 8.3500 8.3500 8.3982 8.3982 8.7353 8.7353 8.7963 8.7963 8.9549 8.9549 9.1476 9.1476 9.1938 9.1938 9.3378 9.3378 9.5728 9.5728 9.8409 9.8409 10.5283 10.5283 10.7005 10.7005 10.8343 10.8343 11.1272 11.1272 11.1998 11.1998 11.4887 11.4887 11.5141 11.5141 11.5875 11.5875 11.8472 11.8472 11.8617 11.8617 11.9093 11.9093 k = 0.2727 0.1575-0.0000 ( 14825 PWs) bands (ev): -4.6539 -4.6539 -2.8844 -2.8844 -0.7739 -0.7739 -0.1517 -0.1517 -0.0483 -0.0483 0.7843 0.7843 0.7891 0.7891 1.0468 1.0468 3.5299 3.5299 4.5559 4.5559 4.6188 4.6188 5.0163 5.0163 5.2582 5.2582 5.7718 5.7718 5.8883 5.8883 5.9822 5.9822 6.1022 6.1022 6.2156 6.2156 6.5478 6.5478 6.5790 6.5790 6.7002 6.7002 6.8064 6.8064 6.9494 6.9494 7.0122 7.0122 7.8545 7.8545 7.9280 7.9280 7.9476 7.9476 8.3007 8.3007 8.3203 8.3203 8.3909 8.3909 8.7125 8.7125 8.8447 8.8447 8.9615 8.9615 9.1677 9.1677 9.2092 9.2092 9.3657 9.3657 9.5609 9.5609 9.8986 9.8986 10.4861 10.4861 10.6676 10.6676 10.7720 10.7720 11.1002 11.1002 11.1517 11.1517 11.4338 11.4338 11.4924 11.4924 11.6144 11.6144 11.8386 11.8386 11.8625 11.8625 11.9150 11.9150 k = 0.2955 0.1706-0.0000 ( 14825 PWs) bands (ev): -4.6525 -4.6525 -2.8844 -2.8844 -0.7673 -0.7673 -0.1742 -0.1742 -0.0569 -0.0569 0.7896 0.7896 0.7936 0.7936 1.0588 1.0588 3.5007 3.5007 4.5710 4.5710 4.6361 4.6361 5.0404 5.0404 5.2684 5.2684 5.7726 5.7726 5.8716 5.8716 5.9816 5.9816 6.0765 6.0765 6.2202 6.2202 6.5660 6.5660 6.6044 6.6044 6.7309 6.7309 6.8351 6.8351 6.9719 6.9719 7.0275 7.0275 7.7977 7.7977 7.8807 7.8807 7.9057 7.9057 8.2721 8.2721 8.3023 8.3023 8.3841 8.3841 8.6925 8.6925 8.8921 8.8921 8.9690 8.9690 9.1877 9.1877 9.2251 9.2251 9.3889 9.3889 9.5492 9.5492 9.9556 9.9556 10.4451 10.4451 10.6340 10.6340 10.7141 10.7141 11.0745 11.0745 11.1029 11.1029 11.3789 11.3789 11.4733 11.4733 11.6442 11.6442 11.8302 11.8302 11.8626 11.8626 11.9225 11.9225 k = 0.3182 0.1837-0.0000 ( 14825 PWs) bands (ev): -4.6511 -4.6511 -2.8845 -2.8845 -0.7604 -0.7604 -0.1960 -0.1960 -0.0649 -0.0649 0.7939 0.7939 0.7980 0.7980 1.0708 1.0708 3.4727 3.4727 4.5861 4.5861 4.6539 4.6539 5.0620 5.0620 5.2791 5.2791 5.7724 5.7724 5.8532 5.8532 5.9845 5.9845 6.0564 6.0564 6.2252 6.2252 6.5721 6.5721 6.6335 6.6335 6.7615 6.7615 6.8642 6.8642 6.9938 6.9938 7.0443 7.0443 7.7367 7.7367 7.8355 7.8355 7.8693 7.8693 8.2420 8.2420 8.2895 8.2895 8.3771 8.3771 8.6754 8.6754 8.9372 8.9372 8.9775 8.9775 9.2075 9.2075 9.2415 9.2415 9.4061 9.4061 9.5391 9.5391 10.0114 10.0114 10.4064 10.4064 10.6003 10.6003 10.6614 10.6614 11.0462 11.0462 11.0579 11.0579 11.3258 11.3258 11.4565 11.4565 11.6758 11.6758 11.8226 11.8226 11.8616 11.8616 11.9315 11.9315 k = 0.3409 0.1968-0.0000 ( 14827 PWs) bands (ev): -4.6498 -4.6498 -2.8845 -2.8845 -0.7534 -0.7534 -0.2167 -0.2167 -0.0722 -0.0722 0.7973 0.7973 0.8022 0.8022 1.0825 1.0825 3.4465 3.4465 4.6009 4.6009 4.6717 4.6717 5.0798 5.0798 5.2901 5.2901 5.7705 5.7705 5.8354 5.8354 5.9898 5.9898 6.0434 6.0434 6.2299 6.2299 6.5656 6.5656 6.6648 6.6648 6.7934 6.7934 6.8930 6.8930 7.0150 7.0150 7.0614 7.0614 7.6739 7.6739 7.7950 7.7950 7.8361 7.8361 8.2146 8.2146 8.2786 8.2786 8.3701 8.3701 8.6611 8.6611 8.9780 8.9780 8.9875 8.9875 9.2266 9.2266 9.2584 9.2584 9.4150 9.4150 9.5329 9.5329 10.0656 10.0656 10.3709 10.3709 10.5669 10.5669 10.6146 10.6146 11.0007 11.0007 11.0325 11.0325 11.2753 11.2753 11.4418 11.4418 11.7082 11.7082 11.8159 11.8159 11.8593 11.8593 11.9416 11.9416 k = 0.3636 0.2099-0.0000 ( 14835 PWs) bands (ev): -4.6486 -4.6486 -2.8845 -2.8845 -0.7465 -0.7465 -0.2360 -0.2360 -0.0787 -0.0787 0.7998 0.7998 0.8062 0.8062 1.0934 1.0934 3.4226 3.4226 4.6153 4.6153 4.6889 4.6889 5.0931 5.0931 5.3011 5.3011 5.7660 5.7660 5.8203 5.8203 5.9974 5.9974 6.0378 6.0378 6.2341 6.2341 6.5480 6.5480 6.6968 6.6968 6.8265 6.8265 6.9207 6.9207 7.0355 7.0355 7.0776 7.0776 7.6102 7.6102 7.7611 7.7611 7.8048 7.8048 8.1908 8.1908 8.2690 8.2690 8.3633 8.3633 8.6495 8.6495 8.9955 8.9955 9.0168 9.0168 9.2447 9.2447 9.2758 9.2758 9.4145 9.4145 9.5324 9.5324 10.1172 10.1172 10.3391 10.3391 10.5349 10.5349 10.5744 10.5744 10.9521 10.9521 11.0132 11.0132 11.2286 11.2286 11.4293 11.4293 11.7401 11.7401 11.8103 11.8103 11.8561 11.8561 11.9523 11.9523 k = 0.3864 0.2231-0.0000 ( 14832 PWs) bands (ev): -4.6476 -4.6476 -2.8846 -2.8846 -0.7400 -0.7400 -0.2533 -0.2533 -0.0844 -0.0844 0.8016 0.8016 0.8097 0.8097 1.1034 1.1034 3.4015 3.4015 4.6287 4.6287 4.7052 4.7052 5.1016 5.1016 5.3117 5.3117 5.7582 5.7582 5.8094 5.8094 6.0061 6.0061 6.0403 6.0403 6.2377 6.2377 6.5217 6.5217 6.7281 6.7281 6.8591 6.8591 6.9470 6.9470 7.0548 7.0548 7.0921 7.0921 7.5467 7.5467 7.7347 7.7347 7.7756 7.7756 8.1710 8.1710 8.2608 8.2608 8.3569 8.3569 8.6402 8.6402 9.0056 9.0056 9.0481 9.0481 9.2615 9.2615 9.2931 9.2931 9.4061 9.4061 9.5369 9.5369 10.1652 10.1652 10.3117 10.3117 10.5058 10.5058 10.5410 10.5410 10.9047 10.9047 10.9968 10.9968 11.1866 11.1866 11.4190 11.4190 11.7701 11.7701 11.8061 11.8061 11.8523 11.8523 11.9630 11.9630 k = 0.4091 0.2362-0.0000 ( 14838 PWs) bands (ev): -4.6467 -4.6467 -2.8846 -2.8846 -0.7341 -0.7341 -0.2683 -0.2683 -0.0892 -0.0892 0.8031 0.8031 0.8126 0.8126 1.1120 1.1120 3.3836 3.3836 4.6409 4.6409 4.7198 4.7198 5.1058 5.1058 5.3216 5.3216 5.7475 5.7475 5.8031 5.8031 6.0131 6.0131 6.0523 6.0523 6.2407 6.2407 6.4897 6.4897 6.7577 6.7577 6.8884 6.8884 6.9718 6.9718 7.0713 7.0713 7.1068 7.1068 7.4841 7.4841 7.7157 7.7157 7.7490 7.7490 8.1553 8.1553 8.2539 8.2539 8.3512 8.3512 8.6331 8.6331 9.0154 9.0154 9.0736 9.0736 9.2765 9.2765 9.3094 9.3094 9.3934 9.3934 9.5437 9.5437 10.2079 10.2079 10.2891 10.2891 10.4811 10.4811 10.5146 10.5146 10.8596 10.8596 10.9832 10.9832 11.1504 11.1504 11.4106 11.4106 11.7930 11.7930 11.8071 11.8071 11.8485 11.8485 11.9731 11.9731 k = 0.4318 0.2493-0.0000 ( 14842 PWs) bands (ev): -4.6460 -4.6460 -2.8846 -2.8846 -0.7292 -0.7292 -0.2805 -0.2805 -0.0930 -0.0930 0.8041 0.8041 0.8149 0.8149 1.1190 1.1190 3.3693 3.3693 4.6511 4.6511 4.7321 4.7321 5.1068 5.1068 5.3303 5.3303 5.7362 5.7362 5.7998 5.7998 6.0174 6.0174 6.0722 6.0722 6.2431 6.2431 6.4552 6.4552 6.7843 6.7843 6.9112 6.9112 6.9945 6.9945 7.0833 7.0833 7.1255 7.1255 7.4236 7.4236 7.7034 7.7034 7.7261 7.7261 8.1437 8.1437 8.2485 8.2485 8.3464 8.3464 8.6278 8.6278 9.0244 9.0244 9.0929 9.0929 9.2891 9.2891 9.3237 9.3237 9.3799 9.3799 9.5505 9.5505 10.2423 10.2423 10.2722 10.2722 10.4622 10.4622 10.4959 10.4959 10.8188 10.8188 10.9725 10.9725 11.1209 11.1209 11.4043 11.4043 11.7957 11.7957 11.8250 11.8250 11.8450 11.8450 11.9819 11.9819 k = 0.4545 0.2624-0.0000 ( 14844 PWs) bands (ev): -4.6455 -4.6455 -2.8847 -2.8847 -0.7253 -0.7253 -0.2895 -0.2895 -0.0957 -0.0957 0.8048 0.8048 0.8166 0.8166 1.1242 1.1242 3.3588 3.3588 4.6590 4.6590 4.7416 4.7416 5.1060 5.1060 5.3370 5.3370 5.7266 5.7266 5.7983 5.7983 6.0199 6.0199 6.0948 6.0948 6.2449 6.2449 6.4227 6.4227 6.8062 6.8062 6.9261 6.9261 7.0120 7.0120 7.0921 7.0921 7.1500 7.1500 7.3671 7.3671 7.6961 7.6961 7.7083 7.7083 8.1356 8.1356 8.2446 8.2446 8.3428 8.3428 8.6243 8.6243 9.0317 9.0317 9.1063 9.1063 9.2988 9.2988 9.3343 9.3343 9.3687 9.3687 9.5561 9.5561 10.2546 10.2546 10.2727 10.2727 10.4492 10.4492 10.4855 10.4855 10.7848 10.7848 10.9647 10.9647 11.0990 11.0990 11.3998 11.3998 11.7943 11.7943 11.8420 11.8420 11.8428 11.8428 11.9889 11.9889 k = 0.4773 0.2756-0.0000 ( 14852 PWs) bands (ev): -4.6452 -4.6452 -2.8847 -2.8847 -0.7229 -0.7229 -0.2951 -0.2951 -0.0973 -0.0973 0.8052 0.8052 0.8176 0.8176 1.1274 1.1274 3.3525 3.3525 4.6639 4.6639 4.7476 4.7476 5.1048 5.1048 5.3413 5.3413 5.7203 5.7203 5.7975 5.7975 6.0214 6.0214 6.1135 6.1135 6.2462 6.2462 6.3982 6.3982 6.8209 6.8209 6.9339 6.9339 7.0216 7.0216 7.0991 7.0991 7.1776 7.1776 7.3193 7.3193 7.6923 7.6923 7.6972 7.6972 8.1310 8.1310 8.2422 8.2422 8.3406 8.3406 8.6222 8.6222 9.0366 9.0366 9.1142 9.1142 9.3049 9.3049 9.3400 9.3400 9.3623 9.3623 9.5597 9.5597 10.2486 10.2486 10.2857 10.2857 10.4415 10.4415 10.4823 10.4823 10.7615 10.7615 10.9601 10.9601 11.0856 11.0856 11.3971 11.3971 11.7933 11.7933 11.8404 11.8404 11.8539 11.8539 11.9933 11.9933 k = 0.5000 0.2887-0.0000 ( 14854 PWs) bands (ev): -4.6450 -4.6450 -2.8847 -2.8847 -0.7221 -0.7221 -0.2969 -0.2969 -0.0979 -0.0979 0.8053 0.8053 0.8179 0.8179 1.1284 1.1284 3.3504 3.3504 4.6655 4.6655 4.7497 4.7497 5.1042 5.1042 5.3428 5.3428 5.7181 5.7181 5.7973 5.7973 6.0218 6.0218 6.1209 6.1209 6.2467 6.2467 6.3888 6.3888 6.8261 6.8261 6.9362 6.9362 7.0242 7.0242 7.1020 7.1020 7.1936 7.1936 7.2965 7.2965 7.6906 7.6906 7.6938 7.6938 8.1295 8.1295 8.2414 8.2414 8.3399 8.3399 8.6215 8.6215 9.0383 9.0383 9.1167 9.1167 9.3069 9.3069 9.3413 9.3413 9.3607 9.3607 9.5609 9.5609 10.2463 10.2463 10.2902 10.2902 10.4389 10.4389 10.4821 10.4821 10.7530 10.7530 10.9585 10.9585 11.0811 11.0811 11.3963 11.3963 11.7929 11.7929 11.8397 11.8397 11.8578 11.8578 11.9949 11.9949 k = 0.5000 0.2887-0.0000 ( 14854 PWs) bands (ev): -4.6450 -4.6450 -2.8847 -2.8847 -0.7221 -0.7221 -0.2969 -0.2969 -0.0979 -0.0979 0.8053 0.8053 0.8179 0.8179 1.1284 1.1284 3.3504 3.3504 4.6655 4.6655 4.7497 4.7497 5.1042 5.1042 5.3428 5.3428 5.7181 5.7181 5.7973 5.7973 6.0218 6.0218 6.1209 6.1209 6.2467 6.2467 6.3888 6.3888 6.8261 6.8261 6.9362 6.9362 7.0242 7.0242 7.1020 7.1020 7.1936 7.1936 7.2965 7.2965 7.6906 7.6906 7.6938 7.6938 8.1295 8.1295 8.2414 8.2414 8.3399 8.3399 8.6215 8.6215 9.0383 9.0383 9.1167 9.1167 9.3069 9.3069 9.3413 9.3413 9.3607 9.3607 9.5609 9.5609 10.2463 10.2463 10.2902 10.2902 10.4389 10.4389 10.4821 10.4821 10.7530 10.7530 10.9585 10.9585 11.0811 11.0811 11.3963 11.3963 11.7929 11.7929 11.8397 11.8397 11.8578 11.8578 11.9949 11.9949 k = 0.4872 0.3109-0.0000 ( 14864 PWs) bands (ev): -4.6450 -4.6450 -2.8847 -2.8847 -0.7211 -0.7211 -0.3003 -0.3003 -0.0961 -0.0961 0.7978 0.7978 0.8266 0.8266 1.1277 1.1277 3.3502 3.3502 4.6633 4.6633 4.7464 4.7464 5.1127 5.1127 5.3437 5.3437 5.7135 5.7135 5.8012 5.8012 6.0218 6.0218 6.1195 6.1195 6.2462 6.2462 6.3886 6.3886 6.8224 6.8224 6.9403 6.9403 7.0215 7.0215 7.1029 7.1029 7.1963 7.1963 7.2968 7.2968 7.6708 7.6708 7.7142 7.7142 8.1250 8.1250 8.2421 8.2421 8.3403 8.3403 8.6184 8.6184 9.0394 9.0394 9.1167 9.1167 9.3070 9.3070 9.3447 9.3447 9.3626 9.3626 9.5636 9.5636 10.2479 10.2479 10.2894 10.2894 10.4387 10.4387 10.4775 10.4775 10.7372 10.7372 10.9577 10.9577 11.0978 11.0978 11.3983 11.3983 11.7937 11.7937 11.8379 11.8379 11.8609 11.8609 11.9945 11.9945 k = 0.4744 0.3331-0.0000 ( 14846 PWs) bands (ev): -4.6449 -4.6449 -2.8847 -2.8847 -0.7181 -0.7181 -0.3098 -0.3098 -0.0913 -0.0913 0.7873 0.7873 0.8406 0.8406 1.1257 1.1257 3.3497 3.3497 4.6568 4.6568 4.7382 4.7382 5.1366 5.1366 5.3463 5.3463 5.7017 5.7017 5.8108 5.8108 6.0218 6.0218 6.1153 6.1153 6.2449 6.2449 6.3880 6.3880 6.8133 6.8133 6.9503 6.9503 7.0144 7.0144 7.1057 7.1057 7.2036 7.2036 7.2977 7.2977 7.6513 7.6513 7.7351 7.7351 8.1118 8.1118 8.2443 8.2443 8.3416 8.3416 8.6094 8.6094 9.0426 9.0426 9.1166 9.1166 9.3063 9.3063 9.3525 9.3525 9.3710 9.3710 9.5714 9.5714 10.2522 10.2522 10.2872 10.2872 10.4382 10.4382 10.4641 10.4641 10.6964 10.6964 10.9560 10.9560 11.1405 11.1405 11.4044 11.4044 11.7961 11.7961 11.8311 11.8311 11.8697 11.8697 11.9932 11.9932 k = 0.4615 0.3553-0.0000 ( 14846 PWs) bands (ev): -4.6448 -4.6448 -2.8847 -2.8847 -0.7131 -0.7131 -0.3244 -0.3244 -0.0843 -0.0843 0.7777 0.7777 0.8562 0.8562 1.1224 1.1224 3.3488 3.3488 4.6462 4.6462 4.7276 4.7276 5.1729 5.1729 5.3506 5.3506 5.6859 5.6859 5.8230 5.8230 6.0219 6.0219 6.1078 6.1078 6.2428 6.2428 6.3867 6.3867 6.8023 6.8023 6.9617 6.9617 7.0054 7.0054 7.1102 7.1102 7.2135 7.2135 7.2997 7.2997 7.6349 7.6349 7.7538 7.7538 8.0908 8.0908 8.2478 8.2478 8.3437 8.3437 8.5951 8.5951 9.0482 9.0482 9.1165 9.1165 9.3042 9.3042 9.3589 9.3589 9.3916 9.3916 9.5840 9.5840 10.2562 10.2562 10.2853 10.2853 10.4369 10.4369 10.4447 10.4447 10.6419 10.6419 10.9537 10.9537 11.1973 11.1973 11.4146 11.4146 11.7994 11.7994 11.8147 11.8147 11.8831 11.8831 11.9905 11.9905 k = 0.4487 0.3775-0.0000 ( 14836 PWs) bands (ev): -4.6445 -4.6445 -2.8847 -2.8847 -0.7061 -0.7061 -0.3430 -0.3430 -0.0763 -0.0763 0.7691 0.7691 0.8727 0.8727 1.1178 1.1178 3.3476 3.3476 4.6325 4.6325 4.7170 4.7170 5.2184 5.2184 5.3567 5.3567 5.6679 5.6679 5.8358 5.8358 6.0220 6.0220 6.0964 6.0964 6.2402 6.2402 6.3846 6.3846 6.7923 6.7923 6.9687 6.9687 6.9990 6.9990 7.1162 7.1162 7.2242 7.2242 7.3036 7.3036 7.6227 7.6227 7.7687 7.7687 8.0634 8.0634 8.2526 8.2526 8.3465 8.3465 8.5767 8.5767 9.0567 9.0567 9.1164 9.1164 9.3008 9.3008 9.3632 9.3632 9.4233 9.4233 9.6008 9.6008 10.2523 10.2523 10.2892 10.2892 10.4193 10.4193 10.4378 10.4378 10.5809 10.5809 10.9508 10.9508 11.2614 11.2614 11.4286 11.4286 11.7784 11.7784 11.8066 11.8066 11.8993 11.8993 11.9843 11.9843 k = 0.4359 0.3997-0.0000 ( 14852 PWs) bands (ev): -4.6443 -4.6443 -2.8847 -2.8847 -0.6972 -0.6972 -0.3643 -0.3643 -0.0682 -0.0682 0.7617 0.7617 0.8901 0.8901 1.1119 1.1119 3.3460 3.3460 4.6176 4.6176 4.7070 4.7070 5.2703 5.2703 5.3647 5.3647 5.6487 5.6487 5.8482 5.8482 6.0223 6.0223 6.0805 6.0805 6.2374 6.2374 6.3815 6.3815 6.7852 6.7852 6.9666 6.9666 6.9998 6.9998 7.1226 7.1226 7.2342 7.2342 7.3104 7.3104 7.6157 7.6157 7.7782 7.7782 8.0312 8.0312 8.2589 8.2589 8.3497 8.3497 8.5552 8.5552 9.0684 9.0684 9.1164 9.1164 9.2966 9.2966 9.3660 9.3660 9.4633 9.4633 9.6212 9.6212 10.2364 10.2364 10.2993 10.2993 10.3957 10.3957 10.4372 10.4372 10.5177 10.5177 10.9469 10.9469 11.3290 11.3290 11.4463 11.4463 11.7260 11.7260 11.8129 11.8129 11.9148 11.9148 11.9750 11.9751 k = 0.4231 0.4219-0.0000 ( 14868 PWs) bands (ev): -4.6440 -4.6440 -2.8847 -2.8847 -0.6864 -0.6864 -0.3875 -0.3875 -0.0605 -0.0605 0.7553 0.7553 0.9080 0.9080 1.1048 1.1048 3.3440 3.3440 4.6031 4.6031 4.6975 4.6975 5.3262 5.3262 5.3753 5.3753 5.6286 5.6286 5.8597 5.8597 6.0227 6.0227 6.0595 6.0595 6.2345 6.2345 6.3772 6.3772 6.7820 6.7820 6.9593 6.9593 7.0038 7.0038 7.1279 7.1279 7.2425 7.2425 7.3216 7.3216 7.6146 7.6146 7.7809 7.7809 7.9963 7.9963 8.2665 8.2665 8.3533 8.3533 8.5317 8.5317 9.0837 9.0837 9.1165 9.1165 9.2919 9.2919 9.3669 9.3669 9.5100 9.5100 9.6448 9.6448 10.2098 10.2098 10.3095 10.3095 10.3757 10.3757 10.4348 10.4348 10.4584 10.4584 10.9423 10.9423 11.3982 11.3982 11.4675 11.4675 11.6632 11.6632 11.8206 11.8206 11.9252 11.9252 11.9681 11.9681 k = 0.4103 0.4441-0.0000 ( 14858 PWs) bands (ev): -4.6437 -4.6437 -2.8847 -2.8847 -0.6737 -0.6737 -0.4120 -0.4120 -0.0537 -0.0537 0.7501 0.7501 0.9263 0.9263 1.0966 1.0966 3.3417 3.3417 4.5906 4.5906 4.6883 4.6883 5.3748 5.3748 5.3981 5.3981 5.6081 5.6081 5.8697 5.8697 6.0221 6.0221 6.0343 6.0343 6.2318 6.2318 6.3717 6.3717 6.7835 6.7835 6.9516 6.9516 7.0067 7.0067 7.1305 7.1305 7.2483 7.2483 7.3385 7.3385 7.6194 7.6194 7.7753 7.7753 7.9609 7.9609 8.2754 8.2754 8.3570 8.3570 8.5070 8.5070 9.1026 9.1026 9.1167 9.1167 9.2871 9.2871 9.3651 9.3651 9.5622 9.5622 9.6713 9.6713 10.1742 10.1742 10.3090 10.3090 10.3605 10.3605 10.3996 10.3996 10.4434 10.4434 10.9372 10.9372 11.4649 11.4649 11.4937 11.4937 11.5995 11.5995 11.8292 11.8292 11.9292 11.9292 11.9568 11.9570 k = 0.3974 0.4663-0.0000 ( 14854 PWs) bands (ev): -4.6434 -4.6434 -2.8847 -2.8847 -0.6592 -0.6592 -0.4373 -0.4373 -0.0480 -0.0480 0.7457 0.7457 0.9447 0.9447 1.0873 1.0873 3.3391 3.3391 4.5809 4.5809 4.6793 4.6793 5.3937 5.3937 5.4546 5.4546 5.5874 5.5874 5.8782 5.8782 5.9992 5.9992 6.0261 6.0261 6.2294 6.2294 6.3651 6.3651 6.7898 6.7898 6.9447 6.9447 7.0075 7.0075 7.1300 7.1300 7.2515 7.2515 7.3611 7.3611 7.6298 7.6298 7.7609 7.7609 7.9269 7.9269 8.2857 8.2857 8.3607 8.3607 8.4820 8.4820 9.1170 9.1170 9.1250 9.1250 9.2823 9.2823 9.3600 9.3600 9.6190 9.6190 9.7002 9.7002 10.1324 10.1324 10.2763 10.2763 10.3493 10.3493 10.3782 10.3782 10.4469 10.4469 10.9318 10.9318 11.5012 11.5012 11.5341 11.5341 11.5579 11.5579 11.8384 11.8384 11.9287 11.9287 11.9401 11.9402 k = 0.3846 0.4885-0.0000 ( 14844 PWs) bands (ev): -4.6431 -4.6431 -2.8848 -2.8848 -0.6429 -0.6429 -0.4628 -0.4628 -0.0434 -0.0434 0.7424 0.7424 0.9628 0.9628 1.0770 1.0770 3.3365 3.3365 4.5744 4.5744 4.6706 4.6706 5.4086 5.4086 5.5173 5.5173 5.5669 5.5669 5.8848 5.8848 5.9623 5.9623 6.0270 6.0270 6.2273 6.2273 6.3578 6.3578 6.8006 6.8006 6.9383 6.9383 7.0067 7.0067 7.1267 7.1267 7.2524 7.2524 7.3885 7.3885 7.6446 7.6446 7.7389 7.7389 7.8951 7.8951 8.2972 8.2972 8.3643 8.3643 8.4572 8.4572 9.1175 9.1175 9.1505 9.1505 9.2776 9.2776 9.3512 9.3512 9.6795 9.6795 9.7316 9.7316 10.0871 10.0871 10.2180 10.2180 10.3418 10.3418 10.3779 10.3779 10.4529 10.4529 10.9267 10.9267 11.4724 11.4724 11.5451 11.5451 11.6185 11.6185 11.8478 11.8478 11.9214 11.9214 11.9255 11.9257 k = 0.3718 0.5107-0.0000 ( 14856 PWs) bands (ev): -4.6429 -4.6429 -2.8848 -2.8848 -0.6249 -0.6249 -0.4882 -0.4882 -0.0400 -0.0400 0.7399 0.7399 0.9804 0.9804 1.0658 1.0658 3.3339 3.3339 4.5709 4.5709 4.6624 4.6624 5.4244 5.4244 5.5438 5.5438 5.5833 5.5833 5.8890 5.8890 5.9210 5.9210 6.0283 6.0283 6.2256 6.2256 6.3501 6.3501 6.8150 6.8150 6.9317 6.9317 7.0048 7.0048 7.1219 7.1219 7.2518 7.2518 7.4187 7.4187 7.6597 7.6597 7.7151 7.7151 7.8653 7.8653 8.3098 8.3098 8.3675 8.3675 8.4333 8.4333 9.1181 9.1181 9.1784 9.1784 9.2730 9.2730 9.3383 9.3383 9.7424 9.7424 9.7654 9.7654 10.0411 10.0411 10.1526 10.1526 10.3366 10.3366 10.3811 10.3811 10.4595 10.4595 10.9220 10.9220 11.4300 11.4300 11.5682 11.5682 11.6883 11.6883 11.8569 11.8569 11.9047 11.9048 11.9202 11.9433 k = 0.3590 0.5329-0.0000 ( 14856 PWs) bands (ev): -4.6427 -4.6427 -2.8848 -2.8848 -0.6053 -0.6053 -0.5133 -0.5133 -0.0378 -0.0378 0.7381 0.7381 0.9973 0.9973 1.0538 1.0538 3.3316 3.3316 4.5700 4.5700 4.6553 4.6553 5.4413 5.4413 5.5238 5.5238 5.6451 5.6451 5.8718 5.8718 5.8958 5.8958 6.0296 6.0296 6.2244 6.2244 6.3430 6.3430 6.8313 6.8313 6.9242 6.9242 7.0027 7.0027 7.1170 7.1170 7.2502 7.2502 7.4490 7.4490 7.6576 7.6576 7.7097 7.7097 7.8364 7.8364 8.3233 8.3233 8.3698 8.3698 8.4116 8.4116 9.1187 9.1187 9.2079 9.2079 9.2686 9.2686 9.3215 9.3215 9.7957 9.7957 9.8119 9.8119 9.9968 9.9968 10.0854 10.0854 10.3328 10.3328 10.3839 10.3839 10.4652 10.4652 10.9184 10.9184 11.3976 11.3976 11.5886 11.5886 11.7574 11.7574 11.8651 11.8651 11.8920 11.8920 11.9124 11.9139 k = 0.3462 0.5551-0.0000 ( 14866 PWs) bands (ev): -4.6425 -4.6425 -2.8848 -2.8848 -0.5842 -0.5842 -0.5378 -0.5378 -0.0365 -0.0365 0.7372 0.7372 1.0130 1.0130 1.0411 1.0411 3.3300 3.3300 4.5706 4.5706 4.6502 4.6502 5.4589 5.4589 5.5040 5.5040 5.7032 5.7032 5.8258 5.8258 5.8964 5.8964 6.0305 6.0305 6.2236 6.2236 6.3374 6.3374 6.8460 6.8460 6.9170 6.9170 7.0011 7.0011 7.1133 7.1133 7.2486 7.2486 7.4743 7.4743 7.6374 7.6374 7.7278 7.7278 7.8094 7.8094 8.3368 8.3368 8.3693 8.3693 8.3949 8.3949 9.1193 9.1193 9.2374 9.2374 9.2643 9.2643 9.3016 9.3016 9.8287 9.8287 9.8769 9.8769 9.9586 9.9586 10.0187 10.0187 10.3304 10.3304 10.3856 10.3856 10.4684 10.4684 10.9160 10.9160 11.3777 11.3777 11.6023 11.6023 11.8234 11.8234 11.8717 11.8717 11.8860 11.8860 11.9044 11.9048 k = 0.3333 0.5774-0.0000 ( 14850 PWs) bands (ev): -4.6425 -4.6425 -2.8848 -2.8848 -0.5627 -0.5627 -0.5604 -0.5604 -0.0361 -0.0361 0.7369 0.7369 1.0260 1.0260 1.0292 1.0292 3.3294 3.3294 4.5712 4.5712 4.6483 4.6483 5.4714 5.4714 5.4908 5.4908 5.7394 5.7394 5.7937 5.7937 5.8969 5.8969 6.0309 6.0309 6.2234 6.2234 6.3351 6.3351 6.8526 6.8526 6.9136 6.9136 7.0003 7.0003 7.1119 7.1119 7.2479 7.2479 7.4852 7.4852 7.6269 7.6269 7.7414 7.7414 7.7941 7.7941 8.3449 8.3449 8.3655 8.3655 8.3892 8.3892 9.1195 9.1195 9.2588 9.2588 9.2603 9.2603 9.2861 9.2861 9.8449 9.8449 9.9304 9.9304 9.9368 9.9368 9.9686 9.9686 10.3294 10.3294 10.3862 10.3862 10.4693 10.4693 10.9151 10.9151 11.3711 11.3711 11.6069 11.6069 11.8622 11.8622 11.8839 11.8839 11.8866 11.8866 11.8918 11.8920 k = 0.3333 0.5774-0.0000 ( 14850 PWs) bands (ev): -4.6425 -4.6425 -2.8848 -2.8848 -0.5627 -0.5627 -0.5604 -0.5604 -0.0361 -0.0361 0.7369 0.7369 1.0260 1.0260 1.0292 1.0292 3.3294 3.3294 4.5712 4.5712 4.6483 4.6483 5.4714 5.4714 5.4908 5.4908 5.7394 5.7394 5.7937 5.7937 5.8969 5.8969 6.0309 6.0309 6.2234 6.2234 6.3351 6.3351 6.8526 6.8526 6.9136 6.9136 7.0003 7.0003 7.1119 7.1119 7.2479 7.2479 7.4852 7.4852 7.6269 7.6269 7.7414 7.7414 7.7941 7.7941 8.3449 8.3449 8.3655 8.3655 8.3892 8.3892 9.1195 9.1195 9.2588 9.2588 9.2603 9.2603 9.2861 9.2861 9.8449 9.8449 9.9304 9.9304 9.9368 9.9368 9.9686 9.9686 10.3294 10.3294 10.3862 10.3862 10.4693 10.4693 10.9151 10.9151 11.3711 11.3711 11.6069 11.6069 11.8622 11.8622 11.8839 11.8839 11.8866 11.8866 11.8921 11.9098 k = 0.3200 0.5543-0.0000 ( 14860 PWs) bands (ev): -4.6426 -4.6426 -2.8848 -2.8848 -0.5853 -0.5853 -0.5366 -0.5366 -0.0365 -0.0365 0.7372 0.7372 1.0129 1.0129 1.0410 1.0410 3.3302 3.3302 4.5701 4.5701 4.6506 4.6506 5.4578 5.4578 5.5052 5.5052 5.7029 5.7029 5.8252 5.8252 5.8964 5.8964 6.0305 6.0305 6.2236 6.2236 6.3384 6.3384 6.8454 6.8454 6.9161 6.9161 7.0014 7.0014 7.1137 7.1137 7.2489 7.2489 7.4735 7.4735 7.6386 7.6386 7.7255 7.7255 7.8118 7.8118 8.3356 8.3356 8.3720 8.3720 8.3935 8.3935 9.1191 9.1191 9.2403 9.2403 9.2565 9.2565 9.3063 9.3063 9.8275 9.8275 9.8744 9.8744 9.9608 9.9608 10.0196 10.0196 10.3310 10.3310 10.3854 10.3854 10.4690 10.4690 10.9161 10.9161 11.3779 11.3779 11.6025 11.6025 11.8351 11.8351 11.8601 11.8601 11.8813 11.8813 11.9069 11.9102 k = 0.3067 0.5312-0.0000 ( 14856 PWs) bands (ev): -4.6427 -4.6427 -2.8848 -2.8848 -0.6078 -0.6078 -0.5103 -0.5103 -0.0374 -0.0374 0.7381 0.7381 0.9979 0.9979 1.0525 1.0525 3.3328 3.3328 4.5666 4.5666 4.6575 4.6575 5.4380 5.4380 5.5275 5.5275 5.6470 5.6470 5.8647 5.8647 5.8955 5.8955 6.0291 6.0291 6.2242 6.2242 6.3500 6.3500 6.8281 6.8281 6.9178 6.9178 7.0039 7.0039 7.1196 7.1196 7.2523 7.2523 7.4472 7.4472 7.6619 7.6619 7.7023 7.7023 7.8449 7.8449 8.3207 8.3207 8.3791 8.3791 8.4059 8.4059 9.1178 9.1178 9.2096 9.2096 9.2522 9.2522 9.3354 9.3354 9.7936 9.7936 9.8061 9.8061 10.0025 10.0025 10.0817 10.0817 10.3378 10.3378 10.3833 10.3833 10.4697 10.4697 10.9192 10.9192 11.3974 11.3974 11.5913 11.5913 11.7858 11.7858 11.8410 11.8410 11.8739 11.8739 11.9133 11.9134 k = 0.2933 0.5081-0.0000 ( 14870 PWs) bands (ev): -4.6430 -4.6430 -2.8848 -2.8848 -0.6291 -0.6291 -0.4828 -0.4828 -0.0387 -0.0387 0.7394 0.7394 0.9824 0.9824 1.0618 1.0618 3.3376 3.3376 4.5612 4.5612 4.6675 4.6675 5.4180 5.4180 5.5514 5.5514 5.5885 5.5885 5.8891 5.8891 5.8998 5.8998 6.0270 6.0270 6.2250 6.2250 6.3715 6.3715 6.8059 6.8059 6.9138 6.9138 7.0047 7.0047 7.1296 7.1296 7.2573 7.2573 7.4182 7.4182 7.6556 7.6556 7.7158 7.7158 7.8819 7.8819 8.3067 8.3067 8.3829 8.3829 8.4237 8.4237 9.1149 9.1149 9.1760 9.1760 9.2479 9.2479 9.3639 9.3639 9.7379 9.7379 9.7569 9.7569 10.0508 10.0508 10.1329 10.1329 10.3526 10.3526 10.3832 10.3832 10.4735 10.4735 10.9246 10.9246 11.4276 11.4276 11.5767 11.5767 11.7383 11.7383 11.8209 11.8209 11.8676 11.8676 11.9176 11.9176 k = 0.2800 0.4850-0.0000 ( 14880 PWs) bands (ev): -4.6435 -4.6435 -2.8847 -2.8847 -0.6491 -0.6491 -0.4543 -0.4543 -0.0402 -0.0402 0.7412 0.7412 0.9666 0.9666 1.0690 1.0690 3.3448 3.3448 4.5547 4.5547 4.6790 4.6790 5.3985 5.3985 5.5292 5.5292 5.5763 5.5763 5.8892 5.8892 5.9176 5.9176 6.0243 6.0243 6.2258 6.2258 6.4027 6.4027 6.7812 6.7812 6.9046 6.9046 6.9999 6.9999 7.1404 7.1404 7.2614 7.2614 7.3951 7.3951 7.6333 7.6333 7.7527 7.7527 7.9205 7.9205 8.2948 8.2948 8.3854 8.3854 8.4442 8.4442 9.1101 9.1101 9.1413 9.1413 9.2434 9.2434 9.3907 9.3907 9.6713 9.6713 9.7202 9.7202 10.0996 10.0996 10.1676 10.1676 10.3621 10.3621 10.4059 10.4059 10.4817 10.4817 10.9322 10.9322 11.4659 11.4659 11.5619 11.5619 11.6953 11.6953 11.8011 11.8011 11.8622 11.8622 11.9207 11.9207 k = 0.2667 0.4619-0.0000 ( 14862 PWs) bands (ev): -4.6441 -4.6441 -2.8847 -2.8847 -0.6676 -0.6676 -0.4248 -0.4248 -0.0416 -0.0416 0.7434 0.7434 0.9506 0.9506 1.0738 1.0738 3.3546 3.3546 4.5478 4.5478 4.6900 4.6900 5.3794 5.3794 5.4702 5.4702 5.6017 5.6017 5.8868 5.8868 5.9293 5.9293 6.0212 6.0212 6.2264 6.2264 6.4411 6.4411 6.7553 6.7553 6.8923 6.8923 6.9884 6.9884 7.1449 7.1449 7.2597 7.2597 7.3864 7.3864 7.6182 7.6182 7.7925 7.7925 7.9597 7.9597 8.2856 8.2856 8.3873 8.3873 8.4662 8.4662 9.1023 9.1023 9.1069 9.1069 9.2385 9.2385 9.4155 9.4155 9.6068 9.6068 9.6841 9.6841 10.1359 10.1359 10.1967 10.1967 10.3610 10.3610 10.4566 10.4566 10.4962 10.4962 10.9422 10.9422 11.5066 11.5066 11.5525 11.5525 11.6580 11.6580 11.7828 11.7828 11.8572 11.8572 11.9226 11.9226 k = 0.2533 0.4388-0.0000 ( 14866 PWs) bands (ev): -4.6449 -4.6449 -2.8847 -2.8847 -0.6849 -0.6849 -0.3946 -0.3946 -0.0429 -0.0429 0.7457 0.7457 0.9345 0.9345 1.0764 1.0764 3.3673 3.3673 4.5410 4.5410 4.6991 4.6991 5.3605 5.3605 5.4124 5.4124 5.6274 5.6274 5.8843 5.8843 5.9360 5.9360 6.0181 6.0181 6.2268 6.2268 6.4827 6.4827 6.7290 6.7290 6.8785 6.8785 6.9709 6.9709 7.1369 7.1369 7.2485 7.2485 7.3971 7.3971 7.6161 7.6161 7.8321 7.8321 7.9993 7.9993 8.2792 8.2792 8.3889 8.3889 8.4894 8.4894 9.0736 9.0736 9.0912 9.0912 9.2331 9.2331 9.4380 9.4380 9.5456 9.5456 9.6488 9.6488 10.1415 10.1415 10.2427 10.2427 10.3613 10.3613 10.4986 10.4986 10.5373 10.5373 10.9546 10.9546 11.5211 11.5211 11.5758 11.5758 11.6270 11.6270 11.7670 11.7670 11.8524 11.8524 11.9231 11.9231 k = 0.2400 0.4157-0.0000 ( 14858 PWs) bands (ev): -4.6458 -4.6458 -2.8847 -2.8847 -0.7007 -0.7007 -0.3638 -0.3638 -0.0437 -0.0437 0.7482 0.7482 0.9184 0.9184 1.0766 1.0766 3.3829 3.3829 4.5345 4.5345 4.7052 4.7052 5.3383 5.3383 5.3597 5.3597 5.6527 5.6527 5.8823 5.8823 5.9408 5.9408 6.0155 6.0155 6.2266 6.2266 6.5231 6.5231 6.7030 6.7030 6.8643 6.8643 6.9483 6.9483 7.1160 7.1160 7.2275 7.2275 7.4248 7.4248 7.6296 7.6296 7.8706 7.8706 8.0390 8.0390 8.2757 8.2757 8.3905 8.3905 8.5136 8.5136 9.0424 9.0424 9.0755 9.0755 9.2271 9.2271 9.4548 9.4548 9.4919 9.4919 9.6140 9.6140 10.1271 10.1271 10.2982 10.2982 10.3677 10.3677 10.5202 10.5202 10.6087 10.6087 10.9691 10.9691 11.5142 11.5142 11.6027 11.6027 11.6245 11.6245 11.7543 11.7543 11.8476 11.8476 11.9224 11.9224 k = 0.2267 0.3926-0.0000 ( 14842 PWs) bands (ev): -4.6468 -4.6468 -2.8846 -2.8846 -0.7152 -0.7152 -0.3326 -0.3326 -0.0439 -0.0439 0.7507 0.7507 0.9024 0.9024 1.0748 1.0748 3.4012 3.4012 4.5286 4.5286 4.7071 4.7071 5.2939 5.2939 5.3318 5.3318 5.6772 5.6772 5.8812 5.8812 5.9457 5.9457 6.0145 6.0145 6.2258 6.2258 6.5572 6.5572 6.6783 6.6783 6.8504 6.8504 6.9224 6.9224 7.0871 7.0871 7.1978 7.1978 7.4644 7.4644 7.6578 7.6578 7.9069 7.9069 8.0790 8.0790 8.2751 8.2751 8.3920 8.3920 8.5388 8.5388 9.0141 9.0141 9.0544 9.0544 9.2202 9.2202 9.4275 9.4275 9.4851 9.4851 9.5795 9.5795 10.1021 10.1021 10.3469 10.3469 10.3909 10.3909 10.5416 10.5416 10.6862 10.6862 10.9859 10.9859 11.5073 11.5073 11.5854 11.5854 11.6723 11.6723 11.7457 11.7457 11.8443 11.8443 11.9208 11.9208 k = 0.2133 0.3695-0.0000 ( 14848 PWs) bands (ev): -4.6480 -4.6480 -2.8846 -2.8846 -0.7284 -0.7284 -0.3013 -0.3013 -0.0434 -0.0434 0.7530 0.7530 0.8865 0.8865 1.0710 1.0710 3.4222 3.4222 4.5233 4.5233 4.7045 4.7045 5.2414 5.2414 5.3149 5.3149 5.7000 5.7000 5.8818 5.8818 5.9509 5.9509 6.0168 6.0168 6.2242 6.2242 6.5793 6.5793 6.6568 6.6568 6.8356 6.8356 6.8963 6.8963 7.0552 7.0552 7.1615 7.1615 7.5122 7.5122 7.6977 7.6977 7.9407 7.9407 8.1194 8.1194 8.2774 8.2774 8.3936 8.3936 8.5649 8.5649 8.9891 8.9891 9.0271 9.0271 9.2123 9.2123 9.3810 9.3810 9.5011 9.5011 9.5451 9.5451 10.0697 10.0697 10.3742 10.3742 10.4438 10.4438 10.5648 10.5648 10.7654 10.7654 11.0046 11.0046 11.5032 11.5032 11.5747 11.5747 11.7049 11.7049 11.7419 11.7419 11.8484 11.8484 11.9184 11.9184 k = 0.2000 0.3464-0.0000 ( 14844 PWs) bands (ev): -4.6492 -4.6492 -2.8845 -2.8845 -0.7403 -0.7403 -0.2699 -0.2699 -0.0421 -0.0421 0.7551 0.7551 0.8708 0.8708 1.0654 1.0654 3.4457 3.4457 4.5186 4.5186 4.6971 4.6971 5.1903 5.1903 5.2999 5.2999 5.7203 5.7203 5.8848 5.8848 5.9553 5.9553 6.0251 6.0251 6.2218 6.2218 6.5834 6.5834 6.6418 6.6418 6.8148 6.8148 6.8761 6.8761 7.0243 7.0243 7.1213 7.1213 7.5661 7.5661 7.7457 7.7457 7.9717 7.9717 8.1604 8.1604 8.2824 8.2824 8.3954 8.3954 8.5919 8.5919 8.9677 8.9677 8.9935 8.9935 9.2034 9.2034 9.3390 9.3390 9.5074 9.5074 9.5204 9.5204 10.0316 10.0316 10.3975 10.3975 10.5088 10.5088 10.5899 10.5899 10.8445 10.8445 11.0253 11.0253 11.5023 11.5023 11.5703 11.5703 11.7107 11.7107 11.7416 11.7416 11.8641 11.8641 11.9148 11.9149 k = 0.1867 0.3233-0.0000 ( 14852 PWs) bands (ev): -4.6506 -4.6506 -2.8845 -2.8845 -0.7511 -0.7511 -0.2388 -0.2388 -0.0399 -0.0399 0.7568 0.7568 0.8555 0.8555 1.0584 1.0584 3.4714 3.4714 4.5144 4.5144 4.6853 4.6853 5.1417 5.1417 5.2862 5.2862 5.7371 5.7371 5.8907 5.8907 5.9580 5.9580 6.0412 6.0412 6.2185 6.2185 6.5708 6.5708 6.6313 6.6313 6.7838 6.7838 6.8640 6.8640 6.9977 6.9977 7.0794 7.0794 7.6248 7.6248 7.7991 7.7991 8.0000 8.0000 8.2020 8.2020 8.2898 8.2898 8.3974 8.3974 8.6199 8.6199 8.9471 8.9471 8.9570 8.9570 9.1932 9.1932 9.3024 9.3024 9.4739 9.4739 9.5339 9.5339 9.9886 9.9886 10.4244 10.4244 10.5774 10.5774 10.6167 10.6167 10.9224 10.9224 11.0478 11.0478 11.5050 11.5050 11.5717 11.5717 11.6962 11.6962 11.7435 11.7435 11.8741 11.8741 11.9110 11.9110 k = 0.1733 0.3002-0.0000 ( 14834 PWs) bands (ev): -4.6521 -4.6521 -2.8844 -2.8844 -0.7608 -0.7608 -0.2082 -0.2082 -0.0368 -0.0368 0.7580 0.7580 0.8406 0.8406 1.0503 1.0503 3.4988 3.4988 4.5106 4.5106 4.6697 4.6697 5.0962 5.0962 5.2735 5.2735 5.7497 5.7497 5.8991 5.8991 5.9600 5.9600 6.0648 6.0648 6.2145 6.2145 6.5505 6.5505 6.6183 6.6183 6.7463 6.7463 6.8520 6.8520 6.9791 6.9791 7.0378 7.0378 7.6869 7.6869 7.8557 7.8557 8.0261 8.0261 8.2442 8.2442 8.2996 8.2996 8.3996 8.3996 8.6490 8.6490 8.9070 8.9070 8.9391 8.9391 9.1817 9.1817 9.2707 9.2707 9.4380 9.4380 9.5480 9.5480 9.9416 9.9416 10.4558 10.4558 10.6421 10.6421 10.6509 10.6509 10.9983 10.9983 11.0719 11.0719 11.5113 11.5113 11.5776 11.5776 11.6723 11.6723 11.7501 11.7501 11.8747 11.8747 11.9073 11.9074 k = 0.1600 0.2771-0.0000 ( 14838 PWs) bands (ev): -4.6535 -4.6535 -2.8844 -2.8844 -0.7695 -0.7695 -0.1783 -0.1783 -0.0327 -0.0327 0.7585 0.7585 0.8262 0.8262 1.0414 1.0414 3.5274 3.5274 4.5068 4.5068 4.6512 4.6512 5.0542 5.0542 5.2619 5.2619 5.7579 5.7579 5.9079 5.9079 5.9643 5.9643 6.0942 6.0942 6.2102 6.2102 6.5281 6.5281 6.6003 6.6003 6.7063 6.7063 6.8329 6.8329 6.9695 6.9695 6.9983 6.9983 7.7512 7.7512 7.9138 7.9138 8.0511 8.0511 8.2856 8.2856 8.3125 8.3125 8.4021 8.4021 8.6791 8.6791 8.8592 8.8592 8.9292 8.9292 9.1688 9.1688 9.2432 9.2432 9.4010 9.4010 9.5610 9.5610 9.8914 9.8914 10.4912 10.4912 10.6729 10.6729 10.7216 10.7216 11.0712 11.0712 11.0974 11.0974 11.5208 11.5208 11.5850 11.5850 11.6489 11.6489 11.7610 11.7610 11.8728 11.8728 11.9036 11.9040 k = 0.1467 0.2540-0.0000 ( 14824 PWs) bands (ev): -4.6551 -4.6551 -2.8843 -2.8843 -0.7773 -0.7773 -0.1494 -0.1494 -0.0277 -0.0277 0.7583 0.7583 0.8123 0.8123 1.0320 1.0320 3.5569 3.5569 4.5030 4.5030 4.6308 4.6308 5.0161 5.0161 5.2513 5.2513 5.7624 5.7624 5.9137 5.9137 5.9740 5.9740 6.1264 6.1264 6.2072 6.2072 6.5056 6.5056 6.5780 6.5780 6.6663 6.6663 6.8067 6.8067 6.9595 6.9595 6.9679 6.9679 7.8156 7.8156 7.9719 7.9719 8.0765 8.0765 8.3161 8.3161 8.3376 8.3376 8.4051 8.4051 8.7104 8.7104 8.8093 8.8093 8.9229 8.9229 9.1546 9.1546 9.2188 9.2188 9.3629 9.3629 9.5730 9.5730 9.8386 9.8386 10.5294 10.5294 10.7025 10.7025 10.7953 10.7953 11.1244 11.1244 11.1402 11.1402 11.5335 11.5335 11.5844 11.5844 11.6390 11.6390 11.7755 11.7755 11.8708 11.8708 11.8999 11.9002 k = 0.1333 0.2309-0.0000 ( 14828 PWs) bands (ev): -4.6566 -4.6566 -2.8843 -2.8843 -0.7841 -0.7841 -0.1216 -0.1216 -0.0218 -0.0218 0.7571 0.7571 0.7992 0.7992 1.0226 1.0226 3.5866 3.5866 4.4987 4.4987 4.6097 4.6097 4.9821 4.9821 5.2417 5.2417 5.7640 5.7640 5.9150 5.9150 5.9894 5.9894 6.1535 6.1535 6.2123 6.2123 6.4839 6.4839 6.5528 6.5528 6.6273 6.6273 6.7771 6.7771 6.9272 6.9272 6.9643 6.9643 7.8775 7.8775 8.0289 8.0289 8.1046 8.1046 8.3320 8.3320 8.3767 8.3767 8.4102 8.4102 8.7417 8.7417 8.7601 8.7601 8.9194 8.9194 9.1389 9.1389 9.1969 9.1969 9.3235 9.3235 9.5839 9.5839 9.7838 9.7838 10.5691 10.5691 10.7322 10.7322 10.8702 10.8702 11.1524 11.1524 11.2042 11.2042 11.5484 11.5484 11.5704 11.5704 11.6505 11.6505 11.7931 11.7931 11.8693 11.8693 11.8951 11.8952 k = 0.1200 0.2078-0.0000 ( 14828 PWs) bands (ev): -4.6580 -4.6580 -2.8842 -2.8842 -0.7902 -0.7902 -0.0954 -0.0954 -0.0153 -0.0153 0.7551 0.7551 0.7869 0.7869 1.0136 1.0136 3.6158 3.6158 4.4936 4.4936 4.5890 4.5890 4.9527 4.9527 5.2331 5.2331 5.7637 5.7637 5.9134 5.9134 6.0076 6.0076 6.1624 6.1624 6.2376 6.2376 6.4639 6.4639 6.5264 6.5264 6.5896 6.5896 6.7475 6.7475 6.8971 6.8971 6.9595 6.9595 7.9333 7.9333 8.0840 8.0840 8.1381 8.1381 8.3458 8.3458 8.4029 8.4029 8.4309 8.4309 8.7086 8.7086 8.7775 8.7775 8.9181 8.9181 9.1220 9.1220 9.1769 9.1769 9.2828 9.2828 9.5937 9.5937 9.7277 9.7277 10.6091 10.6091 10.7617 10.7617 10.9456 10.9456 11.1814 11.1814 11.2619 11.2619 11.5497 11.5497 11.5703 11.5703 11.6733 11.6733 11.8130 11.8130 11.8687 11.8687 11.8895 11.8896 k = 0.1067 0.1848-0.0000 ( 14816 PWs) bands (ev): -4.6594 -4.6594 -2.8842 -2.8842 -0.7955 -0.7955 -0.0709 -0.0709 -0.0084 -0.0084 0.7521 0.7521 0.7754 0.7754 1.0051 1.0051 3.6440 3.6440 4.4877 4.4877 4.5696 4.5696 4.9277 4.9277 5.2255 5.2255 5.7622 5.7622 5.9105 5.9105 6.0253 6.0253 6.1590 6.1590 6.2769 6.2769 6.4464 6.4464 6.5003 6.5003 6.5536 6.5536 6.7200 6.7200 6.8703 6.8703 6.9509 6.9509 7.9797 7.9797 8.1365 8.1365 8.1797 8.1797 8.3589 8.3589 8.4096 8.4096 8.4717 8.4717 8.6613 8.6613 8.8125 8.8125 8.9182 8.9182 9.1039 9.1039 9.1588 9.1588 9.2408 9.2408 9.6024 9.6024 9.6709 9.6709 10.6477 10.6477 10.7904 10.7904 11.0207 11.0207 11.2107 11.2107 11.3119 11.3119 11.5388 11.5388 11.5901 11.5901 11.7014 11.7014 11.8338 11.8338 11.8696 11.8696 11.8839 11.8839 k = 0.0933 0.1617-0.0000 ( 14798 PWs) bands (ev): -4.6608 -4.6608 -2.8841 -2.8841 -0.8001 -0.8001 -0.0484 -0.0484 -0.0011 -0.0011 0.7482 0.7482 0.7651 0.7651 0.9974 0.9974 3.6706 3.6706 4.4808 4.4808 4.5522 4.5522 4.9072 4.9072 5.2189 5.2189 5.7599 5.7599 5.9071 5.9071 6.0394 6.0394 6.1535 6.1535 6.3196 6.3196 6.4323 6.4323 6.4758 6.4758 6.5200 6.5200 6.6960 6.6960 6.8466 6.8466 6.9376 6.9376 8.0154 8.0154 8.1850 8.1850 8.2301 8.2301 8.3710 8.3710 8.4140 8.4140 8.5150 8.5150 8.6168 8.6168 8.8487 8.8487 8.9194 8.9194 9.0849 9.0849 9.1423 9.1423 9.1976 9.1976 9.6095 9.6095 9.6145 9.6145 10.6836 10.6836 10.8179 10.8179 11.0939 11.0939 11.2395 11.2395 11.3530 11.3530 11.5365 11.5365 11.6126 11.6126 11.7326 11.7326 11.8526 11.8526 11.8740 11.8740 11.8797 11.8797 k = 0.0800 0.1386-0.0000 ( 14792 PWs) bands (ev): -4.6620 -4.6620 -2.8841 -2.8841 -0.8040 -0.8040 -0.0283 -0.0283 0.0060 0.0060 0.7437 0.7437 0.7560 0.7560 0.9907 0.9907 3.6948 3.6948 4.4732 4.4732 4.5373 4.5373 4.8910 4.8910 5.2132 5.2132 5.7574 5.7574 5.9038 5.9038 6.0470 6.0470 6.1506 6.1506 6.3587 6.3587 6.4239 6.4239 6.4537 6.4537 6.4916 6.4916 6.6758 6.6758 6.8258 6.8258 6.9196 6.9196 8.0418 8.0418 8.2285 8.2285 8.2869 8.2869 8.3819 8.3819 8.4182 8.4182 8.5583 8.5583 8.5762 8.5762 8.8846 8.8846 8.9219 8.9219 9.0653 9.0653 9.1276 9.1276 9.1534 9.1534 9.5573 9.5573 9.6167 9.6167 10.7157 10.7157 10.8436 10.8436 11.1624 11.1624 11.2664 11.2664 11.3864 11.3864 11.5456 11.5456 11.6366 11.6366 11.7650 11.7650 11.8612 11.8612 11.8795 11.8795 11.8881 11.8881 k = 0.0667 0.1155-0.0000 ( 14770 PWs) bands (ev): -4.6630 -4.6630 -2.8840 -2.8840 -0.8073 -0.8073 -0.0107 -0.0107 0.0129 0.0129 0.7387 0.7387 0.7483 0.7483 0.9851 0.9851 3.7162 3.7162 4.4653 4.4653 4.5250 4.5250 4.8787 4.8787 5.2084 5.2084 5.7549 5.7549 5.9007 5.9007 6.0471 6.0471 6.1523 6.1523 6.3814 6.3814 6.4221 6.4221 6.4341 6.4341 6.4801 6.4801 6.6595 6.6595 6.8079 6.8079 6.8973 6.8973 8.0616 8.0616 8.2663 8.2663 8.3454 8.3454 8.3914 8.3914 8.4228 8.4228 8.5402 8.5402 8.6012 8.6012 8.9089 8.9089 8.9357 8.9357 9.0459 9.0459 9.1084 9.1084 9.1153 9.1153 9.5018 9.5018 9.6222 9.6222 10.7432 10.7432 10.8668 10.8668 11.2215 11.2215 11.2891 11.2891 11.4186 11.4186 11.5644 11.5644 11.6614 11.6614 11.7967 11.7967 11.8620 11.8620 11.8855 11.8855 11.9077 11.9077 k = 0.0533 0.0924-0.0000 ( 14752 PWs) bands (ev): -4.6639 -4.6639 -2.8840 -2.8840 -0.8100 -0.8100 0.0041 0.0041 0.0190 0.0190 0.7337 0.7337 0.7420 0.7420 0.9806 0.9806 3.7343 3.7343 4.4579 4.4579 4.5152 4.5152 4.8697 4.8697 5.2045 5.2045 5.7525 5.7525 5.8981 5.8981 6.0416 6.0416 6.1573 6.1573 6.3851 6.3851 6.4103 6.4103 6.4188 6.4188 6.5028 6.5028 6.6467 6.6467 6.7926 6.7926 6.8714 6.8714 8.0765 8.0765 8.2981 8.2981 8.3929 8.3929 8.4073 8.4073 8.4285 8.4285 8.5098 8.5098 8.6433 8.6433 8.9097 8.9097 8.9702 8.9702 9.0275 9.0275 9.0654 9.0654 9.1043 9.1043 9.4484 9.4484 9.6267 9.6267 10.7657 10.7657 10.8868 10.8868 11.2649 11.2649 11.3074 11.3074 11.4577 11.4577 11.5880 11.5880 11.6859 11.6859 11.8255 11.8255 11.8636 11.8636 11.8963 11.8963 11.9268 11.9269 k = 0.0400 0.0693-0.0000 ( 14758 PWs) bands (ev): -4.6646 -4.6646 -2.8840 -2.8840 -0.8120 -0.8120 0.0159 0.0159 0.0243 0.0243 0.7291 0.7291 0.7371 0.7371 0.9772 0.9772 3.7487 3.7487 4.4515 4.4515 4.5078 4.5078 4.8634 4.8634 5.2015 5.2015 5.7506 5.7506 5.8960 5.8960 6.0338 6.0338 6.1633 6.1633 6.3836 6.3836 6.3924 6.3924 6.4074 6.4074 6.5418 6.5418 6.6371 6.6371 6.7797 6.7797 6.8434 6.8434 8.0875 8.0875 8.3234 8.3234 8.4012 8.4012 8.4301 8.4301 8.4586 8.4586 8.4854 8.4854 8.6848 8.6848 8.9009 8.9009 9.0045 9.0045 9.0136 9.0136 9.0275 9.0275 9.0957 9.0957 9.3983 9.3983 9.6302 9.6302 10.7832 10.7832 10.9030 10.9030 11.2880 11.2880 11.3251 11.3251 11.5038 11.5038 11.6118 11.6118 11.7089 11.7089 11.8493 11.8493 11.8698 11.8698 11.9113 11.9113 11.9435 11.9436 k = 0.0267 0.0462-0.0000 ( 14764 PWs) bands (ev): -4.6652 -4.6652 -2.8839 -2.8839 -0.8135 -0.8135 0.0244 0.0244 0.0283 0.0283 0.7256 0.7256 0.7336 0.7336 0.9748 0.9748 3.7592 3.7592 4.4467 4.4467 4.5025 4.5025 4.8594 4.8594 5.1994 5.1994 5.7491 5.7491 5.8945 5.8945 6.0265 6.0265 6.1684 6.1684 6.3766 6.3766 6.3830 6.3830 6.3990 6.3990 6.5818 6.5818 6.6304 6.6304 6.7679 6.7679 6.8164 6.8164 8.0952 8.0952 8.3419 8.3419 8.4046 8.4046 8.4345 8.4345 8.4676 8.4676 8.5000 8.5000 8.7261 8.7261 8.8818 8.8818 8.9932 8.9932 8.9992 8.9992 9.0456 9.0456 9.0896 9.0896 9.3543 9.3543 9.6326 9.6326 10.7956 10.7956 10.9150 10.9150 11.2961 11.2961 11.3416 11.3416 11.5476 11.5476 11.6325 11.6325 11.7282 11.7282 11.8673 11.8673 11.8836 11.8836 11.9293 11.9293 11.9565 11.9569 k = 0.0133 0.0231-0.0000 ( 14765 PWs) bands (ev): -4.6655 -4.6655 -2.8839 -2.8839 -0.8144 -0.8144 0.0293 0.0293 0.0309 0.0309 0.7233 0.7233 0.7314 0.7314 0.9734 0.9734 3.7655 3.7655 4.4438 4.4438 4.4994 4.4994 4.8572 4.8572 5.1981 5.1981 5.7482 5.7482 5.8935 5.8935 6.0215 6.0215 6.1718 6.1718 6.3675 6.3675 6.3817 6.3817 6.3939 6.3939 6.6150 6.6150 6.6265 6.6265 6.7556 6.7556 6.7969 6.7969 8.0998 8.0998 8.3532 8.3532 8.4064 8.4064 8.4370 8.4370 8.4569 8.4569 8.5279 8.5279 8.7669 8.7669 8.8517 8.8517 8.9752 8.9752 8.9918 8.9918 9.0720 9.0720 9.0867 9.0867 9.3215 9.3215 9.6341 9.6341 10.8030 10.8030 10.9223 10.9223 11.2985 11.2985 11.3525 11.3525 11.5779 11.5779 11.6477 11.6477 11.7413 11.7413 11.8773 11.8773 11.9068 11.9068 11.9496 11.9496 11.9656 11.9658 k = 0.0000 0.0000 0.0000 ( 14773 PWs) bands (ev): -4.6656 -4.6656 -2.8839 -2.8839 -0.8147 -0.8147 0.0308 0.0308 0.0321 0.0321 0.7225 0.7225 0.7307 0.7307 0.9729 0.9729 3.7676 3.7676 4.4428 4.4428 4.4983 4.4983 4.8565 4.8565 5.1977 5.1977 5.7479 5.7479 5.8932 5.8932 6.0197 6.0197 6.1729 6.1729 6.3644 6.3644 6.3814 6.3814 6.3922 6.3922 6.6252 6.6252 6.6294 6.6294 6.7483 6.7483 6.7904 6.7904 8.1013 8.1013 8.3571 8.3571 8.4069 8.4069 8.4378 8.4378 8.4533 8.4533 8.5377 8.5377 8.7974 8.7974 8.8240 8.8240 8.9693 8.9693 8.9895 8.9895 9.0802 9.0802 9.0883 9.0883 9.3087 9.3087 9.6346 9.6346 10.8055 10.8055 10.9247 10.9247 11.2990 11.2990 11.3562 11.3562 11.5884 11.5884 11.6536 11.6536 11.7459 11.7459 11.8804 11.8804 11.9210 11.9210 11.9689 11.9689 11.9695 11.9695 k = 0.0000 0.0000 0.0000 ( 14773 PWs) bands (ev): -4.6656 -4.6656 -2.8839 -2.8839 -0.8147 -0.8147 0.0308 0.0308 0.0321 0.0321 0.7225 0.7225 0.7307 0.7307 0.9729 0.9729 3.7676 3.7676 4.4428 4.4428 4.4983 4.4983 4.8565 4.8565 5.1977 5.1977 5.7479 5.7479 5.8932 5.8932 6.0197 6.0197 6.1729 6.1729 6.3644 6.3644 6.3814 6.3814 6.3922 6.3922 6.6252 6.6252 6.6294 6.6294 6.7483 6.7483 6.7904 6.7904 8.1013 8.1013 8.3571 8.3571 8.4069 8.4069 8.4378 8.4378 8.4533 8.4533 8.5377 8.5377 8.7974 8.7974 8.8240 8.8240 8.9693 8.9693 8.9895 8.9895 9.0802 9.0802 9.0883 9.0883 9.3087 9.3087 9.6346 9.6346 10.8055 10.8055 10.9247 10.9247 11.2990 11.2990 11.3562 11.3562 11.5884 11.5884 11.6536 11.6536 11.7459 11.7459 11.8804 11.8804 11.9210 11.9210 11.9689 11.9689 11.9695 11.9695 k = 0.0000 0.0000 0.0266 ( 14773 PWs) bands (ev): -4.6645 -4.6645 -2.8862 -2.8862 -0.8134 -0.8134 0.0317 0.0317 0.0330 0.0330 0.7226 0.7226 0.7308 0.7308 0.9714 0.9714 3.7711 3.7711 4.4398 4.4398 4.4952 4.4952 4.8583 4.8583 5.2003 5.2003 5.7407 5.7407 5.8764 5.8764 6.0338 6.0338 6.1769 6.1769 6.3685 6.3685 6.3861 6.3861 6.3949 6.3949 6.6274 6.6274 6.6308 6.6308 6.7482 6.7482 6.7905 6.7905 8.1019 8.1019 8.2992 8.2992 8.4045 8.4045 8.4361 8.4361 8.5106 8.5106 8.5355 8.5355 8.7944 8.7944 8.8255 8.8255 8.9703 8.9703 8.9904 8.9904 9.0824 9.0824 9.0913 9.0913 9.2987 9.2987 9.6366 9.6366 10.8041 10.8041 10.9234 10.9234 11.2696 11.2696 11.3833 11.3833 11.5877 11.5877 11.6530 11.6530 11.7448 11.7448 11.8698 11.8698 11.9185 11.9185 11.9669 11.9669 11.9682 11.9683 k = 0.0000 0.0000 0.0532 ( 14791 PWs) bands (ev): -4.6612 -4.6612 -2.8931 -2.8931 -0.8096 -0.8096 0.0344 0.0344 0.0357 0.0357 0.7229 0.7229 0.7311 0.7311 0.9668 0.9668 3.7815 3.7815 4.4309 4.4309 4.4861 4.4861 4.8635 4.8635 5.2078 5.2078 5.7201 5.7201 5.8375 5.8375 6.0645 6.0645 6.1888 6.1888 6.3764 6.3764 6.3994 6.3994 6.4067 6.4067 6.6344 6.6344 6.6351 6.6351 6.7479 6.7479 6.7910 6.7910 8.1036 8.1036 8.2101 8.2101 8.3975 8.3975 8.4310 8.4310 8.5285 8.5285 8.5985 8.5985 8.7858 8.7858 8.8299 8.8299 8.9733 8.9733 8.9933 8.9933 9.0888 9.0888 9.0998 9.0998 9.2694 9.2694 9.6428 9.6428 10.7999 10.7999 10.9195 10.9195 11.2186 11.2186 11.4265 11.4265 11.5858 11.5858 11.6520 11.6520 11.7414 11.7414 11.8398 11.8398 11.9110 11.9110 11.9584 11.9600 11.9612 11.9613 k = 0.0000 0.0000 0.0798 ( 14785 PWs) bands (ev): -4.6558 -4.6558 -2.9044 -2.9044 -0.8033 -0.8033 0.0389 0.0389 0.0401 0.0401 0.7234 0.7234 0.7315 0.7315 0.9590 0.9590 3.7988 3.7988 4.4167 4.4167 4.4714 4.4714 4.8722 4.8722 5.2204 5.2204 5.6880 5.6880 5.7889 5.7889 6.1007 6.1007 6.2079 6.2079 6.3817 6.3817 6.4198 6.4198 6.4320 6.4320 6.6421 6.6421 6.6464 6.6464 6.7476 6.7476 6.7920 6.7920 8.1061 8.1061 8.1174 8.1174 8.3861 8.3861 8.4228 8.4228 8.5177 8.5177 8.6886 8.6886 8.7723 8.7723 8.8364 8.8364 8.9781 8.9781 8.9981 8.9981 9.0989 9.0989 9.1128 9.1128 9.2231 9.2231 9.6530 9.6530 10.7930 10.7930 10.9131 10.9131 11.1589 11.1589 11.4705 11.4705 11.5831 11.5831 11.6529 11.6529 11.7353 11.7353 11.7952 11.7952 11.8993 11.8993 11.9457 11.9460 11.9526 11.9527 k = 0.0000 0.0000 0.1064 ( 14785 PWs) bands (ev): -4.6481 -4.6481 -2.9201 -2.9201 -0.7944 -0.7944 0.0451 0.0451 0.0464 0.0464 0.7240 0.7240 0.7321 0.7321 0.9482 0.9482 3.8231 3.8231 4.3977 4.3977 4.4519 4.4519 4.8843 4.8843 5.2380 5.2380 5.6469 5.6469 5.7347 5.7347 6.1387 6.1387 6.2336 6.2336 6.3852 6.3852 6.4449 6.4449 6.4675 6.4675 6.6515 6.6515 6.6640 6.6640 6.7473 6.7473 6.7939 6.7939 8.0238 8.0238 8.1088 8.1088 8.3705 8.3705 8.4122 8.4122 8.5031 8.5031 8.7552 8.7552 8.7764 8.7764 8.8446 8.8446 8.9849 8.9849 9.0048 9.0048 9.1115 9.1115 9.1294 9.1294 9.1646 9.1646 9.6671 9.6671 10.7830 10.7830 10.9044 10.9044 11.0910 11.0910 11.5108 11.5108 11.5800 11.5800 11.6598 11.6598 11.7215 11.7215 11.7458 11.7458 11.8839 11.8839 11.9300 11.9304 11.9421 11.9423 k = 0.0000 0.0000 0.1330 ( 14809 PWs) bands (ev): -4.6383 -4.6383 -2.9401 -2.9401 -0.7830 -0.7830 0.0531 0.0531 0.0543 0.0543 0.7247 0.7247 0.7328 0.7328 0.9341 0.9341 3.8543 3.8543 4.3747 4.3747 4.4282 4.4282 4.8998 4.8998 5.2606 5.2606 5.5988 5.5988 5.6768 5.6768 6.1775 6.1775 6.2647 6.2647 6.3884 6.3884 6.4725 6.4725 6.5098 6.5098 6.6630 6.6630 6.6878 6.6878 6.7475 6.7475 6.7972 6.7972 7.9299 7.9299 8.1111 8.1111 8.3512 8.3512 8.3998 8.3998 8.4854 8.4854 8.7352 8.7352 8.8284 8.8284 8.8816 8.8816 8.9935 8.9935 9.0133 9.0133 9.0942 9.0942 9.1333 9.1333 9.1482 9.1482 9.6851 9.6851 10.7696 10.7696 10.8937 10.8937 11.0154 11.0154 11.5421 11.5421 11.5772 11.5772 11.6706 11.6706 11.6774 11.6774 11.7253 11.7253 11.8658 11.8658 11.9135 11.9136 11.9303 11.9306 k = 0.0000 0.0000 0.1596 ( 14815 PWs) bands (ev): -4.6264 -4.6264 -2.9640 -2.9640 -0.7692 -0.7692 0.0629 0.0629 0.0640 0.0640 0.7253 0.7253 0.7333 0.7333 0.9169 0.9169 3.8924 3.8924 4.3487 4.3487 4.4015 4.4015 4.9188 4.9188 5.2880 5.2880 5.5456 5.5456 5.6160 5.6160 6.2162 6.2162 6.3001 6.3001 6.3918 6.3918 6.5012 6.5012 6.5567 6.5567 6.6759 6.6759 6.7175 6.7175 6.7491 6.7491 6.8028 6.8028 7.8363 7.8363 8.1121 8.1121 8.3285 8.3285 8.3867 8.3867 8.4649 8.4649 8.7131 8.7131 8.8134 8.8134 8.9653 8.9653 9.0038 9.0038 9.0234 9.0234 9.0401 9.0401 9.1499 9.1499 9.1685 9.1685 9.7068 9.7068 10.7509 10.7509 10.8812 10.8812 10.9352 10.9352 11.5618 11.5618 11.5751 11.5751 11.6055 11.6055 11.7059 11.7059 11.7143 11.7143 11.8456 11.8456 11.8994 11.8994 11.9179 11.9179 k = 0.0000 0.0000 0.1862 ( 14851 PWs) bands (ev): -4.6123 -4.6123 -2.9918 -2.9918 -0.7529 -0.7529 0.0743 0.0743 0.0753 0.0753 0.7257 0.7257 0.7338 0.7338 0.8964 0.8964 3.9375 3.9375 4.3205 4.3205 4.3727 4.3727 4.9410 4.9410 5.3202 5.3202 5.4885 5.4885 5.5529 5.5529 6.2537 6.2537 6.3383 6.3383 6.3956 6.3956 6.5299 6.5299 6.6068 6.6068 6.6894 6.6894 6.7451 6.7451 6.7605 6.7605 6.8118 6.8118 7.7430 7.7430 8.1106 8.1106 8.3030 8.3030 8.3739 8.3739 8.4420 8.4420 8.6894 8.6894 8.7584 8.7584 9.0108 9.0108 9.0157 9.0157 9.0353 9.0353 9.0524 9.0524 9.1697 9.1697 9.1896 9.1896 9.7319 9.7319 10.7208 10.7208 10.8584 10.8584 10.8674 10.8674 11.5384 11.5384 11.5735 11.5735 11.5744 11.5744 11.7035 11.7035 11.7353 11.7353 11.8240 11.8240 11.8942 11.8943 11.9052 11.9052 k = 0.0000 0.0000 0.2128 ( 14821 PWs) bands (ev): -4.5961 -4.5961 -3.0231 -3.0231 -0.7342 -0.7342 0.0873 0.0873 0.0883 0.0883 0.7260 0.7260 0.7340 0.7340 0.8727 0.8727 3.9895 3.9895 4.2911 4.2911 4.3426 4.3426 4.9665 4.9665 5.3569 5.3569 5.4288 5.4288 5.4879 5.4879 6.2889 6.2889 6.3779 6.3779 6.3999 6.3999 6.5580 6.5580 6.6593 6.6593 6.7025 6.7025 6.7537 6.7537 6.7993 6.7993 6.8256 6.8256 7.6504 7.6504 8.1056 8.1056 8.2750 8.2750 8.3623 8.3623 8.4165 8.4165 8.6643 8.6643 8.6699 8.6699 9.0065 9.0065 9.0292 9.0292 9.0487 9.0487 9.1386 9.1386 9.1907 9.1907 9.2109 9.2109 9.7603 9.7603 10.6663 10.6663 10.8009 10.8009 10.8527 10.8527 11.4719 11.4719 11.5752 11.5752 11.5821 11.5821 11.6924 11.6924 11.7513 11.7513 11.8018 11.8018 11.8924 11.8924 11.9075 11.9078 k = 0.0000 0.0000 0.2394 ( 14827 PWs) bands (ev): -4.5778 -4.5778 -3.0576 -3.0576 -0.7130 -0.7130 0.1019 0.1019 0.1028 0.1028 0.7258 0.7258 0.7337 0.7337 0.8457 0.8457 4.0482 4.0482 4.2614 4.2614 4.3123 4.3123 4.9952 4.9952 5.3639 5.3639 5.4012 5.4012 5.4215 5.4215 6.3208 6.3208 6.4046 6.4046 6.4172 6.4172 6.5842 6.5842 6.7135 6.7135 6.7145 6.7145 6.7643 6.7643 6.8453 6.8453 6.8456 6.8456 7.5588 7.5588 8.0964 8.0964 8.2453 8.2453 8.3527 8.3527 8.3871 8.3871 8.5634 8.5634 8.6380 8.6380 9.0135 9.0135 9.0441 9.0441 9.0635 9.0635 9.2113 9.2113 9.2241 9.2241 9.2318 9.2318 9.7917 9.7917 10.5863 10.5863 10.7673 10.7673 10.8375 10.8375 11.4076 11.4076 11.5779 11.5779 11.5904 11.5904 11.6814 11.6814 11.7490 11.7490 11.7794 11.7794 11.8792 11.8792 11.8953 11.8953 k = 0.0000 0.0000 0.2660 ( 14845 PWs) bands (ev): -4.5574 -4.5574 -3.0952 -3.0952 -0.6895 -0.6895 0.1181 0.1181 0.1189 0.1189 0.7251 0.7251 0.7329 0.7329 0.8157 0.8157 4.1135 4.1135 4.2322 4.2322 4.2825 4.2825 5.0270 5.0270 5.3012 5.3012 5.3539 5.3539 5.4465 5.4465 6.3489 6.3489 6.4098 6.4098 6.4544 6.4544 6.6063 6.6063 6.7258 6.7258 6.7691 6.7691 6.7821 6.7821 6.8712 6.8712 6.8958 6.8958 7.4683 7.4683 8.0825 8.0825 8.2141 8.2141 8.3452 8.3452 8.3479 8.3479 8.4539 8.4539 8.6106 8.6106 9.0221 9.0221 9.0603 9.0603 9.0797 9.0797 9.2333 9.2333 9.2522 9.2522 9.3065 9.3065 9.8256 9.8256 10.4968 10.4968 10.7459 10.7459 10.8223 10.8223 11.3467 11.3467 11.5827 11.5827 11.5994 11.5994 11.6708 11.6708 11.7361 11.7361 11.7575 11.7575 11.8653 11.8653 11.8811 11.8811 k = 0.0000 0.0000 0.2926 ( 14863 PWs) bands (ev): -4.5350 -4.5350 -3.1354 -3.1354 -0.6637 -0.6637 0.1357 0.1357 0.1363 0.1363 0.7237 0.7237 0.7315 0.7315 0.7826 0.7826 4.1852 4.1852 4.2042 4.2042 4.2540 4.2540 5.0614 5.0614 5.2366 5.2366 5.2855 5.2855 5.4973 5.4973 6.3731 6.3731 6.4154 6.4154 6.4877 6.4877 6.6222 6.6222 6.7372 6.7372 6.8097 6.8097 6.8258 6.8258 6.9028 6.9028 6.9488 6.9488 7.3796 7.3796 8.0642 8.0642 8.1819 8.1819 8.2717 8.2717 8.3393 8.3393 8.3730 8.3730 8.5821 8.5821 9.0265 9.0265 9.0777 9.0777 9.0970 9.0970 9.2543 9.2543 9.2717 9.2717 9.3871 9.3871 9.8616 9.8616 10.4097 10.4097 10.7297 10.7297 10.8077 10.8077 11.2902 11.2902 11.5896 11.5896 11.6097 11.6097 11.6613 11.6613 11.7195 11.7195 11.7366 11.7366 11.8498 11.8498 11.8631 11.8631 k = 0.0000 0.0000 0.3192 ( 14833 PWs) bands (ev): -4.5105 -4.5105 -3.1781 -3.1781 -0.6356 -0.6356 0.1546 0.1546 0.1552 0.1552 0.7214 0.7214 0.7291 0.7291 0.7467 0.7467 4.1781 4.1781 4.2274 4.2274 4.2629 4.2629 5.0969 5.0969 5.1731 5.1731 5.2164 5.2164 5.5527 5.5527 6.3938 6.3938 6.4216 6.4216 6.5154 6.5154 6.6314 6.6314 6.7496 6.7496 6.8471 6.8471 6.8833 6.8833 6.9392 6.9392 7.0040 7.0040 7.2935 7.2935 8.0422 8.0422 8.1491 8.1491 8.1527 8.1527 8.3287 8.3287 8.3342 8.3342 8.5524 8.5524 9.0215 9.0215 9.0962 9.0962 9.1154 9.1154 9.2744 9.2744 9.2902 9.2902 9.4653 9.4653 9.8993 9.8993 10.3328 10.3328 10.7164 10.7164 10.7940 10.7940 11.2389 11.2389 11.5985 11.5985 11.6214 11.6214 11.6532 11.6532 11.7030 11.7030 11.7172 11.7172 11.8309 11.8309 11.8375 11.8375 k = 0.0000 0.0000 0.3458 ( 14779 PWs) bands (ev): -4.4841 -4.4841 -3.2229 -3.2229 -0.6053 -0.6053 0.1749 0.1749 0.1753 0.1753 0.7080 0.7080 0.7182 0.7182 0.7258 0.7258 4.1544 4.1544 4.2033 4.2033 4.3464 4.3464 5.0950 5.0950 5.1470 5.1470 5.1497 5.1497 5.6125 5.6125 6.4115 6.4115 6.4283 6.4283 6.5363 6.5363 6.6352 6.6352 6.7631 6.7631 6.8923 6.8923 6.9414 6.9414 6.9788 6.9788 7.0606 7.0606 7.2117 7.2117 8.0172 8.0172 8.0199 8.0199 8.1161 8.1161 8.2935 8.2935 8.3288 8.3288 8.5214 8.5214 9.0029 9.0029 9.1155 9.1155 9.1347 9.1347 9.2932 9.2932 9.3073 9.3073 9.5408 9.5408 9.9381 9.9381 10.2721 10.2721 10.7054 10.7054 10.7817 10.7817 11.1934 11.1934 11.6094 11.6094 11.6336 11.6336 11.6471 11.6471 11.6890 11.6890 11.6996 11.6996 11.7990 11.7990 11.8059 11.8059 k = 0.0000 0.0000 0.3724 ( 14803 PWs) bands (ev): -4.4557 -4.4557 -3.2695 -3.2695 -0.5729 -0.5729 0.1964 0.1964 0.1966 0.1966 0.6668 0.6668 0.7139 0.7139 0.7213 0.7213 4.1338 4.1338 4.1823 4.1823 4.4350 4.4350 5.0338 5.0338 5.0776 5.0776 5.1889 5.1889 5.6766 5.6766 6.4268 6.4268 6.4354 6.4354 6.5501 6.5501 6.6353 6.6353 6.7755 6.7755 6.9428 6.9428 7.0001 7.0001 7.0182 7.0182 7.1182 7.1182 7.1392 7.1392 7.8821 7.8821 7.9901 7.9901 8.0830 8.0830 8.2595 8.2595 8.3221 8.3221 8.4891 8.4891 8.9674 8.9674 9.1354 9.1354 9.1547 9.1547 9.3103 9.3103 9.3231 9.3231 9.6134 9.6134 9.9774 9.9774 10.2323 10.2323 10.6968 10.6968 10.7712 10.7712 11.1541 11.1541 11.6213 11.6213 11.6435 11.6435 11.6436 11.6436 11.6815 11.6815 11.6841 11.6841 11.7464 11.7464 11.7719 11.7719 k = 0.0000 0.0000 0.3990 ( 14785 PWs) bands (ev): -4.4254 -4.4254 -3.3177 -3.3177 -0.5383 -0.5383 0.2189 0.2189 0.2190 0.2190 0.6232 0.6232 0.7083 0.7083 0.7155 0.7155 4.1167 4.1167 4.1649 4.1649 4.5275 4.5275 4.9703 4.9703 5.0085 5.0085 5.2348 5.2348 5.7447 5.7447 6.4403 6.4403 6.4431 6.4431 6.5574 6.5574 6.6329 6.6329 6.7810 6.7810 6.9966 6.9966 7.0356 7.0356 7.0591 7.0591 7.1020 7.1020 7.1765 7.1765 7.7418 7.7418 7.9615 7.9615 8.0501 8.0501 8.2250 8.2250 8.3132 8.3132 8.4553 8.4553 8.9139 8.9139 9.1559 9.1559 9.1752 9.1752 9.3255 9.3255 9.3374 9.3374 9.6829 9.6829 10.0163 10.0163 10.2157 10.2157 10.6906 10.6906 10.7629 10.7629 11.1210 11.1210 11.6304 11.6304 11.6430 11.6430 11.6454 11.6454 11.6715 11.6715 11.6837 11.6837 11.6870 11.6870 11.7308 11.7308 k = 0.0000 0.0000 0.4257 ( 14773 PWs) bands (ev): -4.3932 -4.3932 -3.3672 -3.3672 -0.5018 -0.5018 0.2423 0.2423 0.2425 0.2425 0.5776 0.5776 0.7013 0.7013 0.7083 0.7083 4.1034 4.1034 4.1513 4.1513 4.6211 4.6211 4.9108 4.9108 4.9399 4.9399 5.2839 5.2839 5.8167 5.8167 6.4514 6.4514 6.4524 6.4524 6.5591 6.5591 6.6289 6.6289 6.7692 6.7692 7.0081 7.0081 7.0522 7.0522 7.1184 7.1184 7.1311 7.1311 7.2350 7.2350 7.6003 7.6003 7.9320 7.9320 8.0176 8.0176 8.1894 8.1894 8.3016 8.3016 8.4198 8.4198 8.8438 8.8438 9.1767 9.1767 9.1961 9.1961 9.3387 9.3387 9.3502 9.3502 9.7491 9.7491 10.0541 10.0541 10.2219 10.2219 10.6871 10.6871 10.7571 10.7571 11.0942 11.0942 11.6148 11.6148 11.6191 11.6191 11.6415 11.6415 11.6466 11.6466 11.6643 11.6643 11.7000 11.7000 11.7036 11.7036 k = 0.0000 0.0000 0.4523 ( 14809 PWs) bands (ev): -4.3592 -4.3592 -3.4177 -3.4177 -0.4632 -0.4632 0.2665 0.2665 0.2669 0.2669 0.5301 0.5301 0.6928 0.6928 0.6996 0.6996 4.0944 4.0944 4.1420 4.1420 4.7021 4.7021 4.8692 4.8692 4.8721 4.8721 5.3358 5.3358 5.8923 5.8923 6.4603 6.4603 6.4635 6.4635 6.5558 6.5558 6.6238 6.6238 6.7325 6.7325 6.9927 6.9927 7.1085 7.1085 7.1751 7.1751 7.1779 7.1779 7.2934 7.2934 7.4585 7.4585 7.9018 7.9018 7.9857 7.9857 8.1523 8.1523 8.2869 8.2869 8.3827 8.3827 8.7605 8.7605 9.1975 9.1975 9.2170 9.2170 9.3500 9.3500 9.3615 9.3615 9.8117 9.8117 10.0901 10.0901 10.2484 10.2484 10.6866 10.6866 10.7543 10.7543 11.0732 11.0732 11.5436 11.5436 11.5722 11.5722 11.6378 11.6378 11.6536 11.6536 11.6575 11.6575 11.7035 11.7035 11.7255 11.7255 k = 0.0000 0.0000 0.4789 ( 14803 PWs) bands (ev): -4.3234 -4.3234 -3.4690 -3.4690 -0.4229 -0.4229 0.2914 0.2914 0.2920 0.2920 0.4811 0.4811 0.6828 0.6828 0.6893 0.6893 4.0898 4.0898 4.1372 4.1372 4.7183 4.7183 4.8055 4.8055 4.8978 4.8978 5.3903 5.3903 5.9712 5.9712 6.4701 6.4701 6.4737 6.4737 6.5469 6.5469 6.6178 6.6178 6.6769 6.6769 6.9955 6.9955 7.1646 7.1646 7.2192 7.2192 7.2373 7.2373 7.3188 7.3188 7.3514 7.3514 7.8713 7.8713 7.9544 7.9544 8.1136 8.1136 8.2692 8.2692 8.3438 8.3438 8.6686 8.6686 9.2182 9.2182 9.2378 9.2378 9.3595 9.3595 9.3712 9.3712 9.8705 9.8705 10.1233 10.1233 10.2916 10.2916 10.6893 10.6893 10.7549 10.7549 11.0574 11.0574 11.4711 11.4711 11.5093 11.5093 11.6362 11.6362 11.6518 11.6518 11.6651 11.6651 11.7237 11.7237 11.7509 11.7509 k = 0.0000 0.0000 0.5055 ( 14791 PWs) bands (ev): -4.2859 -4.2859 -3.5208 -3.5208 -0.3807 -0.3807 0.3169 0.3169 0.3177 0.3177 0.4306 0.4306 0.6711 0.6711 0.6774 0.6774 4.0898 4.0898 4.1370 4.1370 4.6749 4.6749 4.7404 4.7404 4.9915 4.9915 5.4472 5.4472 6.0527 6.0527 6.4809 6.4809 6.4834 6.4834 6.5283 6.5283 6.6114 6.6114 6.6170 6.6170 7.0056 7.0056 7.1719 7.1719 7.2200 7.2200 7.2714 7.2714 7.2966 7.2966 7.4085 7.4085 7.8406 7.8406 7.9241 7.9241 8.0735 8.0735 8.2486 8.2486 8.3032 8.3032 8.5729 8.5729 9.2386 9.2386 9.2583 9.2583 9.3671 9.3671 9.3794 9.3794 9.9255 9.9255 10.1530 10.1530 10.3477 10.3477 10.6955 10.6955 10.7590 10.7590 11.0459 11.0459 11.3986 11.3986 11.4415 11.4415 11.6373 11.6373 11.6489 11.6489 11.6813 11.6813 11.7487 11.7487 11.7794 11.7794 k = 0.0000 0.0000 0.5321 ( 14797 PWs) bands (ev): -4.2467 -4.2467 -3.5730 -3.5730 -0.3369 -0.3369 0.3428 0.3428 0.3439 0.3439 0.3791 0.3791 0.6578 0.6578 0.6638 0.6638 4.0946 4.0946 4.1417 4.1417 4.6191 4.6191 4.6770 4.6770 5.1031 5.1031 5.5064 5.5064 6.1360 6.1360 6.4877 6.4877 6.4926 6.4926 6.4934 6.4934 6.5710 6.5710 6.6045 6.6045 7.0035 7.0035 7.0483 7.0483 7.2741 7.2741 7.3135 7.3135 7.3554 7.3554 7.4640 7.4640 7.8098 7.8098 7.8951 7.8951 8.0324 8.0324 8.2256 8.2256 8.2607 8.2607 8.4778 8.4778 9.2583 9.2583 9.2781 9.2781 9.3730 9.3730 9.3859 9.3859 9.9763 9.9763 10.1784 10.1784 10.4133 10.4133 10.7057 10.7057 10.7672 10.7672 11.0374 11.0374 11.3271 11.3271 11.3727 11.3727 11.6408 11.6408 11.6486 11.6486 11.7018 11.7018 11.7721 11.7721 11.8108 11.8110 k = 0.0000 0.0000 0.5587 ( 14791 PWs) bands (ev): -4.2059 -4.2059 -3.6253 -3.6253 -0.2914 -0.2914 0.3267 0.3267 0.3689 0.3689 0.3704 0.3704 0.6428 0.6428 0.6485 0.6485 4.1043 4.1043 4.1513 4.1513 4.5616 4.5616 4.6158 4.6158 5.2216 5.2216 5.5679 5.5679 6.2197 6.2197 6.4236 6.4236 6.5015 6.5015 6.5085 6.5085 6.5419 6.5419 6.5973 6.5973 6.8925 6.8925 7.0308 7.0308 7.3265 7.3265 7.3552 7.3552 7.4136 7.4136 7.5169 7.5169 7.7792 7.7792 7.8682 7.8682 7.9909 7.9909 8.2009 8.2009 8.2165 8.2165 8.3872 8.3872 9.2772 9.2772 9.2971 9.2971 9.3770 9.3770 9.3908 9.3908 10.0229 10.0229 10.1990 10.1990 10.4852 10.4852 10.7200 10.7200 10.7796 10.7796 11.0302 11.0302 11.2573 11.2573 11.3046 11.3046 11.6467 11.6467 11.6506 11.6506 11.7262 11.7262 11.7795 11.7795 11.8144 11.8144 k = 0.0000 0.0000 0.5853 ( 14761 PWs) bands (ev): -4.1636 -4.1636 -3.6776 -3.6776 -0.2446 -0.2446 0.2738 0.2738 0.3952 0.3952 0.3969 0.3969 0.6263 0.6263 0.6316 0.6316 4.1189 4.1189 4.1658 4.1658 4.5051 4.5051 4.5570 4.5570 5.3445 5.3445 5.6315 5.6315 6.3008 6.3008 6.3503 6.3503 6.5101 6.5101 6.5123 6.5123 6.5283 6.5283 6.5899 6.5899 6.7672 6.7672 7.0271 7.0271 7.3768 7.3768 7.3950 7.3950 7.4705 7.4705 7.5651 7.5651 7.7489 7.7489 7.8453 7.8453 7.9500 7.9500 8.1707 8.1707 8.1753 8.1753 8.3045 8.3045 9.2950 9.2950 9.3149 9.3149 9.3792 9.3792 9.3939 9.3939 10.0651 10.0651 10.2144 10.2144 10.5605 10.5605 10.7390 10.7390 10.7967 10.7967 11.0224 11.0224 11.1901 11.1901 11.2382 11.2382 11.6548 11.6548 11.6548 11.6548 11.7524 11.7524 11.7708 11.7708 11.8024 11.8024 k = 0.0000 0.0000 0.6119 ( 14749 PWs) bands (ev): -4.1199 -4.1199 -3.7296 -3.7296 -0.1963 -0.1963 0.2204 0.2204 0.4214 0.4214 0.4235 0.4235 0.6081 0.6081 0.6131 0.6131 4.1384 4.1384 4.1853 4.1853 4.4505 4.4505 4.5009 4.5009 5.4706 5.4706 5.6973 5.6973 6.2744 6.2744 6.3741 6.3741 6.4634 6.4634 6.5185 6.5185 6.5576 6.5576 6.5823 6.5823 6.6626 6.6626 7.0122 7.0122 7.4247 7.4247 7.4328 7.4328 7.5251 7.5251 7.6044 7.6044 7.7197 7.7197 7.8303 7.8303 7.9108 7.9108 8.1235 8.1235 8.1502 8.1502 8.2325 8.2325 9.3116 9.3116 9.3314 9.3314 9.3796 9.3796 9.3951 9.3951 10.1029 10.1029 10.2241 10.2241 10.6366 10.6366 10.7627 10.7627 10.8187 10.8187 11.0117 11.0117 11.1260 11.1260 11.1745 11.1745 11.6609 11.6609 11.6646 11.6646 11.7575 11.7575 11.7686 11.7686 11.8026 11.8026 k = 0.0000 0.0000 0.6385 ( 14780 PWs) bands (ev): -4.0748 -4.0748 -3.7813 -3.7813 -0.1469 -0.1469 0.1669 0.1669 0.4474 0.4474 0.4498 0.4498 0.5885 0.5885 0.5931 0.5931 4.1627 4.1627 4.2096 4.2096 4.3986 4.3986 4.4479 4.4479 5.5990 5.5990 5.7651 5.7651 6.1979 6.1979 6.3767 6.3767 6.4315 6.4315 6.5268 6.5268 6.5746 6.5746 6.5967 6.5967 6.6031 6.6031 6.9829 6.9829 7.4688 7.4688 7.4699 7.4699 7.5740 7.5740 7.6274 7.6274 7.6947 7.6947 7.8301 7.8301 7.8733 7.8733 8.0752 8.0752 8.1271 8.1271 8.1738 8.1738 9.3266 9.3266 9.3463 9.3463 9.3780 9.3780 9.3944 9.3944 10.1360 10.1360 10.2280 10.2280 10.7104 10.7104 10.7918 10.7918 10.8457 10.8457 10.9952 10.9952 11.0659 11.0659 11.1140 11.1140 11.6688 11.6688 11.6761 11.6761 11.7431 11.7431 11.7609 11.7609 11.8281 11.8281 k = 0.0000 0.0000 0.6651 ( 14792 PWs) bands (ev): -4.0284 -4.0284 -3.8323 -3.8323 -0.0964 -0.0964 0.1134 0.1134 0.4729 0.4729 0.4757 0.4757 0.5676 0.5676 0.5718 0.5718 4.1916 4.1916 4.2386 4.2386 4.3497 4.3497 4.3983 4.3983 5.7290 5.7290 5.8353 5.8353 6.1217 6.1217 6.2605 6.2605 6.4702 6.4702 6.5349 6.5349 6.5612 6.5612 6.5668 6.5668 6.6664 6.6664 6.9387 6.9387 7.5033 7.5033 7.5120 7.5120 7.6030 7.6030 7.6288 7.6288 7.6873 7.6873 7.8362 7.8362 7.8499 7.8499 8.0262 8.0262 8.1080 8.1080 8.1304 8.1304 9.3400 9.3400 9.3594 9.3594 9.3744 9.3744 9.3917 9.3917 10.1643 10.1643 10.2263 10.2263 10.7788 10.7788 10.8268 10.8268 10.8779 10.8779 10.9698 10.9698 11.0110 11.0110 11.0575 11.0575 11.6783 11.6784 11.6888 11.6888 11.7287 11.7287 11.7470 11.7470 11.8598 11.8598 k = 0.0000 0.0000 0.6917 ( 14768 PWs) bands (ev): -3.9809 -3.9809 -3.8827 -3.8827 -0.0449 -0.0449 0.0601 0.0601 0.4979 0.4979 0.5010 0.5010 0.5454 0.5454 0.5492 0.5492 4.2250 4.2250 4.2722 4.2722 4.3043 4.3043 4.3523 4.3523 5.8577 5.8577 5.9098 5.9098 6.0455 6.0455 6.1333 6.1333 6.4966 6.4966 6.5377 6.5377 6.5430 6.5430 6.5589 6.5589 6.7393 6.7393 6.8809 6.8809 7.5364 7.5364 7.5506 7.5506 7.5941 7.5941 7.6122 7.6122 7.7148 7.7148 7.7975 7.7975 7.8855 7.8855 7.9772 7.9772 8.0955 8.0955 8.1037 8.1037 9.3516 9.3516 9.3688 9.3688 9.3706 9.3706 9.3868 9.3868 10.1877 10.1877 10.2189 10.2189 10.8382 10.8382 10.8686 10.8686 10.9152 10.9152 10.9334 10.9334 10.9620 10.9620 11.0053 11.0053 11.6893 11.6893 11.7026 11.7026 11.7147 11.7147 11.7320 11.7320 11.8908 11.8908 k = 0.0000 0.0000 0.7183 ( 14810 PWs) bands (ev): -3.9323 -3.9323 -3.9323 -3.9323 0.0073 0.0073 0.0073 0.0073 0.5221 0.5221 0.5221 0.5221 0.5256 0.5256 0.5256 0.5256 4.2626 4.2626 4.2626 4.2626 4.3101 4.3101 4.3101 4.3101 5.9658 5.9658 5.9658 5.9658 6.0070 6.0070 6.0070 6.0070 6.5176 6.5176 6.5176 6.5176 6.5510 6.5510 6.5510 6.5510 6.8130 6.8130 6.8130 6.8130 7.5676 7.5676 7.5676 7.5676 7.5847 7.5847 7.5847 7.5847 7.7562 7.7562 7.7562 7.7562 7.9295 7.9295 7.9295 7.9295 8.0929 8.0929 8.0929 8.0929 9.3612 9.3612 9.3612 9.3612 9.3798 9.3798 9.3798 9.3798 10.2059 10.2059 10.2059 10.2059 10.8886 10.8886 10.8886 10.8886 10.9153 10.9153 10.9153 10.9153 10.9578 10.9578 10.9578 10.9578 11.7015 11.7015 11.7015 11.7015 11.7171 11.7171 11.7171 11.7171 11.9183 11.9183 k = 0.0000 0.0000 0.7183 ( 14810 PWs) bands (ev): -3.9323 -3.9323 -3.9323 -3.9323 0.0073 0.0073 0.0073 0.0073 0.5221 0.5221 0.5221 0.5221 0.5256 0.5256 0.5256 0.5256 4.2626 4.2626 4.2626 4.2626 4.3101 4.3101 4.3101 4.3101 5.9658 5.9658 5.9658 5.9658 6.0070 6.0070 6.0070 6.0070 6.5176 6.5176 6.5176 6.5176 6.5510 6.5510 6.5510 6.5510 6.8130 6.8130 6.8130 6.8130 7.5676 7.5676 7.5676 7.5676 7.5847 7.5847 7.5847 7.5847 7.7562 7.7562 7.7562 7.7562 7.9295 7.9295 7.9295 7.9295 8.0929 8.0929 8.0929 8.0929 9.3612 9.3612 9.3612 9.3612 9.3798 9.3798 9.3798 9.3798 10.2059 10.2059 10.2059 10.2059 10.8886 10.8886 10.8886 10.8886 10.9153 10.9153 10.9153 10.9153 10.9578 10.9578 10.9578 10.9578 11.7015 11.7015 11.7015 11.7015 11.7171 11.7171 11.7171 11.7171 11.9183 11.9183 k = 0.0227 0.0131 0.7183 ( 14804 PWs) bands (ev): -3.9322 -3.9322 -3.9322 -3.9322 0.0077 0.0077 0.0077 0.0077 0.5215 0.5215 0.5216 0.5216 0.5250 0.5250 0.5251 0.5251 4.2640 4.2640 4.2640 4.2640 4.3116 4.3116 4.3116 4.3116 5.9647 5.9647 5.9647 5.9647 6.0076 6.0076 6.0076 6.0076 6.5144 6.5144 6.5148 6.5148 6.5493 6.5493 6.5498 6.5498 6.8177 6.8177 6.8177 6.8177 7.5531 7.5531 7.5535 7.5535 7.5892 7.5892 7.5897 7.5897 7.7546 7.7546 7.7549 7.7549 7.9192 7.9192 7.9201 7.9201 8.1127 8.1127 8.1132 8.1132 9.3613 9.3613 9.3614 9.3614 9.3799 9.3799 9.3799 9.3799 10.2067 10.2067 10.2067 10.2067 10.8897 10.8897 10.8898 10.8898 10.9161 10.9161 10.9162 10.9162 10.9569 10.9569 10.9572 10.9572 11.6854 11.6854 11.6901 11.6901 11.7099 11.7099 11.7153 11.7153 11.9330 11.9338 k = 0.0455 0.0262 0.7183 ( 14798 PWs) bands (ev): -3.9321 -3.9321 -3.9321 -3.9321 0.0089 0.0089 0.0089 0.0089 0.5197 0.5197 0.5200 0.5200 0.5233 0.5233 0.5236 0.5236 4.2677 4.2677 4.2680 4.2680 4.3162 4.3162 4.3166 4.3166 5.9613 5.9613 5.9614 5.9614 6.0092 6.0092 6.0092 6.0092 6.5003 6.5003 6.5026 6.5026 6.5496 6.5496 6.5521 6.5521 6.8304 6.8304 6.8306 6.8306 7.5219 7.5219 7.5228 7.5228 7.5891 7.5891 7.5912 7.5912 7.7503 7.7503 7.7519 7.7519 7.9035 7.9035 7.9086 7.9086 8.1573 8.1573 8.1596 8.1596 9.3617 9.3617 9.3620 9.3620 9.3801 9.3801 9.3804 9.3804 10.2089 10.2089 10.2090 10.2090 10.8900 10.8900 10.8918 10.8918 10.9202 10.9202 10.9205 10.9205 10.9540 10.9540 10.9563 10.9563 11.6428 11.6428 11.6534 11.6534 11.7024 11.7024 11.7162 11.7162 11.9608 11.9620 k = 0.0682 0.0394 0.7183 ( 14786 PWs) bands (ev): -3.9319 -3.9319 -3.9319 -3.9319 0.0110 0.0110 0.0110 0.0110 0.5166 0.5166 0.5174 0.5174 0.5205 0.5205 0.5214 0.5214 4.2726 4.2726 4.2737 4.2737 4.3249 4.3249 4.3260 4.3260 5.9562 5.9562 5.9562 5.9562 6.0114 6.0114 6.0116 6.0116 6.4743 6.4743 6.4788 6.4788 6.5570 6.5570 6.5621 6.5621 6.8480 6.8480 6.8486 6.8486 7.4760 7.4760 7.4763 7.4763 7.5820 7.5820 7.5851 7.5851 7.7456 7.7456 7.7489 7.7489 7.8995 7.8995 7.9110 7.9110 8.2098 8.2098 8.2151 8.2151 9.3622 9.3622 9.3630 9.3630 9.3804 9.3804 9.3813 9.3813 10.2125 10.2125 10.2125 10.2125 10.8838 10.8838 10.8907 10.8907 10.9290 10.9290 10.9315 10.9315 10.9515 10.9515 10.9567 10.9567 11.5913 11.5913 11.6051 11.6051 11.6971 11.6971 11.7173 11.7173 11.9775 11.9779 k = 0.0909 0.0525 0.7183 ( 14786 PWs) bands (ev): -3.9316 -3.9316 -3.9316 -3.9316 0.0139 0.0139 0.0139 0.0139 0.5120 0.5120 0.5136 0.5136 0.5169 0.5169 0.5185 0.5185 4.2777 4.2777 4.2798 4.2798 4.3387 4.3387 4.3410 4.3410 5.9496 5.9496 5.9497 5.9497 6.0139 6.0139 6.0145 6.0145 6.4410 6.4410 6.4476 6.4476 6.5702 6.5702 6.5781 6.5781 6.8673 6.8673 6.8688 6.8688 7.4131 7.4131 7.4148 7.4148 7.5718 7.5718 7.5745 7.5745 7.7432 7.7432 7.7479 7.7479 7.9106 7.9106 7.9284 7.9284 8.2632 8.2632 8.2719 8.2719 9.3629 9.3629 9.3647 9.3647 9.3807 9.3807 9.3827 9.3827 10.2170 10.2170 10.2172 10.2172 10.8705 10.8705 10.8855 10.8855 10.9288 10.9288 10.9450 10.9450 10.9623 10.9623 10.9630 10.9630 11.5391 11.5391 11.5552 11.5552 11.6929 11.6929 11.7180 11.7180 11.9723 11.9725 k = 0.1136 0.0656 0.7183 ( 14790 PWs) bands (ev): -3.9312 -3.9312 -3.9312 -3.9312 0.0175 0.0175 0.0176 0.0176 0.5061 0.5061 0.5083 0.5083 0.5128 0.5128 0.5150 0.5150 4.2824 4.2824 4.2856 4.2856 4.3585 4.3585 4.3620 4.3620 5.9415 5.9415 5.9419 5.9419 6.0163 6.0163 6.0177 6.0177 6.4037 6.4037 6.4125 6.4125 6.5876 6.5876 6.5989 6.5989 6.8861 6.8861 6.8889 6.8889 7.3371 7.3371 7.3411 7.3411 7.5618 7.5618 7.5629 7.5629 7.7436 7.7436 7.7490 7.7490 7.9339 7.9339 7.9571 7.9571 8.3144 8.3144 8.3270 8.3270 9.3635 9.3635 9.3671 9.3671 9.3810 9.3810 9.3849 9.3849 10.2221 10.2221 10.2224 10.2224 10.8519 10.8519 10.8762 10.8762 10.9180 10.9180 10.9475 10.9475 10.9851 10.9851 10.9872 10.9872 11.4906 11.4906 11.5085 11.5085 11.6898 11.6898 11.7185 11.7185 11.9496 11.9497 k = 0.1364 0.0787 0.7183 ( 14806 PWs) bands (ev): -3.9307 -3.9307 -3.9307 -3.9307 0.0220 0.0220 0.0221 0.0221 0.4989 0.4989 0.5016 0.5016 0.5084 0.5084 0.5110 0.5110 4.2868 4.2868 4.2910 4.2910 4.3842 4.3842 4.3888 4.3888 5.9320 5.9320 5.9329 5.9329 6.0185 6.0185 6.0214 6.0214 6.3643 6.3643 6.3759 6.3759 6.6080 6.6080 6.6239 6.6239 6.9021 6.9021 6.9078 6.9078 7.2531 7.2531 7.2597 7.2597 7.5521 7.5521 7.5533 7.5533 7.7456 7.7456 7.7516 7.7516 7.9660 7.9660 7.9937 7.9937 8.3620 8.3620 8.3788 8.3788 9.3642 9.3642 9.3704 9.3704 9.3812 9.3812 9.3879 9.3879 10.2270 10.2270 10.2277 10.2277 10.8296 10.8296 10.8629 10.8629 10.9024 10.9024 10.9431 10.9431 11.0160 11.0160 11.0186 11.0186 11.4490 11.4490 11.4680 11.4680 11.6874 11.6874 11.7182 11.7182 11.9157 11.9158 k = 0.1591 0.0919 0.7183 ( 14806 PWs) bands (ev): -3.9302 -3.9302 -3.9302 -3.9302 0.0273 0.0273 0.0274 0.0274 0.4906 0.4906 0.4935 0.4935 0.5036 0.5036 0.5065 0.5065 4.2912 4.2912 4.2961 4.2961 4.4155 4.4155 4.4210 4.4210 5.9209 5.9209 5.9227 5.9227 6.0202 6.0202 6.0253 6.0253 6.3244 6.3244 6.3392 6.3392 6.6298 6.6298 6.6523 6.6523 6.9122 6.9122 6.9241 6.9241 7.1657 7.1657 7.1759 7.1759 7.5429 7.5429 7.5465 7.5465 7.7488 7.7488 7.7549 7.7549 8.0041 8.0041 8.0358 8.0358 8.4053 8.4053 8.4266 8.4266 9.3649 9.3649 9.3746 9.3746 9.3814 9.3814 9.3918 9.3918 10.2309 10.2309 10.2321 10.2321 10.8051 10.8051 10.8460 10.8460 10.8831 10.8831 10.9330 10.9330 11.0515 11.0515 11.0542 11.0542 11.4170 11.4170 11.4363 11.4363 11.6845 11.6845 11.7151 11.7151 11.8785 11.8788 k = 0.1818 0.1050 0.7183 ( 14826 PWs) bands (ev): -3.9296 -3.9296 -3.9296 -3.9296 0.0333 0.0333 0.0334 0.0334 0.4811 0.4811 0.4842 0.4842 0.4986 0.4986 0.5015 0.5015 4.2957 4.2957 4.3012 4.3012 4.4520 4.4520 4.4583 4.4583 5.9084 5.9084 5.9112 5.9112 6.0213 6.0213 6.0296 6.0296 6.2852 6.2852 6.3039 6.3039 6.6502 6.6502 6.6836 6.6836 6.9096 6.9096 6.9363 6.9363 7.0806 7.0806 7.0987 7.0987 7.5353 7.5353 7.5415 7.5415 7.7527 7.7527 7.7589 7.7589 8.0464 8.0464 8.0817 8.0817 8.4441 8.4441 8.4701 8.4701 9.3655 9.3655 9.3795 9.3795 9.3818 9.3818 9.3968 9.3968 10.2326 10.2326 10.2346 10.2346 10.7799 10.7799 10.8263 10.8263 10.8603 10.8603 10.9168 10.9168 11.0897 11.0897 11.0925 11.0925 11.3962 11.3962 11.4145 11.4145 11.6780 11.6780 11.7048 11.7048 11.8456 11.8458 k = 0.2045 0.1181 0.7183 ( 14814 PWs) bands (ev): -3.9290 -3.9290 -3.9290 -3.9290 0.0401 0.0401 0.0402 0.0402 0.4707 0.4707 0.4737 0.4737 0.4934 0.4934 0.4964 0.4964 4.3006 4.3006 4.3063 4.3063 4.4934 4.4934 4.5004 4.5004 5.8942 5.8942 5.8983 5.8983 6.0214 6.0214 6.0338 6.0338 6.2476 6.2476 6.2712 6.2712 6.6639 6.6639 6.7169 6.7169 6.8783 6.8783 6.9381 6.9381 7.0102 7.0102 7.0456 7.0456 7.5293 7.5293 7.5379 7.5379 7.7571 7.7571 7.7631 7.7631 8.0914 8.0914 8.1302 8.1302 8.4785 8.4785 8.5094 8.5094 9.3662 9.3662 9.3811 9.3811 9.3868 9.3868 9.4031 9.4031 10.2303 10.2303 10.2337 10.2337 10.7561 10.7561 10.8053 10.8053 10.8349 10.8349 10.8946 10.8946 11.1292 11.1292 11.1319 11.1319 11.3872 11.3872 11.4031 11.4031 11.6630 11.6630 11.6808 11.6808 11.8252 11.8254 k = 0.2273 0.1312 0.7183 ( 14804 PWs) bands (ev): -3.9283 -3.9283 -3.9283 -3.9283 0.0476 0.0476 0.0477 0.0477 0.4593 0.4593 0.4624 0.4624 0.4881 0.4881 0.4910 0.4910 4.3058 4.3058 4.3117 4.3117 4.5394 4.5394 4.5470 4.5470 5.8785 5.8785 5.8841 5.8841 6.0201 6.0201 6.0375 6.0375 6.2128 6.2128 6.2419 6.2419 6.6595 6.6595 6.7500 6.7500 6.8120 6.8120 6.9122 6.9122 6.9838 6.9838 7.0257 7.0257 7.5248 7.5248 7.5357 7.5357 7.7618 7.7618 7.7676 7.7676 8.1380 8.1380 8.1803 8.1803 8.5087 8.5087 8.5446 8.5446 9.3668 9.3668 9.3811 9.3811 9.3946 9.3946 9.4107 9.4107 10.2224 10.2224 10.2277 10.2277 10.7359 10.7359 10.7845 10.7845 10.8084 10.8084 10.8678 10.8678 11.1684 11.1684 11.1707 11.1707 11.3890 11.3890 11.4015 11.4015 11.6352 11.6352 11.6423 11.6423 11.8190 11.8197 k = 0.2500 0.1443 0.7183 ( 14812 PWs) bands (ev): -3.9276 -3.9276 -3.9276 -3.9276 0.0557 0.0557 0.0559 0.0559 0.4471 0.4471 0.4502 0.4502 0.4828 0.4828 0.4857 0.4857 4.3112 4.3112 4.3173 4.3173 4.5897 4.5897 4.5977 4.5977 5.8614 5.8614 5.8685 5.8685 6.0169 6.0169 6.0397 6.0397 6.1820 6.1820 6.2170 6.2170 6.6228 6.6228 6.7193 6.7193 6.7909 6.7909 6.8898 6.8898 6.9850 6.9850 7.0230 7.0230 7.5217 7.5217 7.5345 7.5345 7.7668 7.7668 7.7723 7.7723 8.1851 8.1851 8.2308 8.2308 8.5350 8.5350 8.5760 8.5760 9.3673 9.3673 9.3809 9.3809 9.4040 9.4040 9.4198 9.4198 10.2073 10.2073 10.2151 10.2151 10.7212 10.7212 10.7646 10.7646 10.7840 10.7840 10.8382 10.8382 11.2054 11.2054 11.2073 11.2073 11.3999 11.3999 11.4082 11.4082 11.5949 11.5949 11.5956 11.5956 11.8149 11.8152 k = 0.2727 0.1575 0.7183 ( 14800 PWs) bands (ev): -3.9270 -3.9270 -3.9270 -3.9270 0.0644 0.0644 0.0647 0.0647 0.4343 0.4343 0.4373 0.4373 0.4776 0.4776 0.4803 0.4803 4.3170 4.3170 4.3230 4.3230 4.6439 4.6439 4.6522 4.6522 5.8429 5.8429 5.8517 5.8517 6.0116 6.0116 6.0388 6.0388 6.1568 6.1568 6.1966 6.1966 6.5564 6.5564 6.6275 6.6275 6.8238 6.8238 6.8921 6.8921 6.9906 6.9906 7.0264 7.0264 7.5196 7.5196 7.5340 7.5340 7.7719 7.7719 7.7770 7.7770 8.2318 8.2318 8.2807 8.2807 8.5581 8.5581 8.6041 8.6041 9.3679 9.3679 9.3807 9.3807 9.4150 9.4150 9.4307 9.4307 10.1839 10.1839 10.1944 10.1944 10.7136 10.7136 10.7432 10.7432 10.7673 10.7673 10.8080 10.8080 11.2381 11.2381 11.2398 11.2398 11.4181 11.4181 11.4211 11.4211 11.5442 11.5442 11.5497 11.5497 11.8120 11.8123 k = 0.2955 0.1706 0.7183 ( 14810 PWs) bands (ev): -3.9263 -3.9263 -3.9263 -3.9263 0.0736 0.0736 0.0739 0.0739 0.4211 0.4211 0.4239 0.4239 0.4726 0.4726 0.4752 0.4752 4.3230 4.3230 4.3287 4.3287 4.7017 4.7017 4.7102 4.7102 5.8235 5.8235 5.8339 5.8339 6.0038 6.0038 6.0325 6.0325 6.1389 6.1389 6.1804 6.1804 6.4755 6.4755 6.5339 6.5339 6.8557 6.8557 6.9073 6.9073 6.9985 6.9985 7.0328 7.0328 7.5184 7.5184 7.5338 7.5338 7.7770 7.7770 7.7816 7.7816 8.2770 8.2770 8.3290 8.3290 8.5785 8.5785 8.6290 8.6290 9.3685 9.3685 9.3804 9.3804 9.4278 9.4278 9.4433 9.4433 10.1523 10.1523 10.1656 10.1656 10.7131 10.7131 10.7198 10.7198 10.7613 10.7613 10.7792 10.7792 11.2641 11.2641 11.2663 11.2663 11.4355 11.4355 11.4408 11.4408 11.4949 11.4949 11.5050 11.5050 11.8008 11.8017 k = 0.3182 0.1837 0.7183 ( 14800 PWs) bands (ev): -3.9257 -3.9257 -3.9257 -3.9257 0.0832 0.0832 0.0836 0.0836 0.4076 0.4076 0.4102 0.4102 0.4679 0.4679 0.4703 0.4703 4.3290 4.3290 4.3344 4.3344 4.7627 4.7627 4.7712 4.7712 5.8036 5.8036 5.8156 5.8156 5.9936 5.9936 6.0197 6.0197 6.1284 6.1284 6.1664 6.1664 6.3920 6.3920 6.4427 6.4427 6.8835 6.8835 6.9239 6.9239 7.0102 7.0102 7.0421 7.0421 7.5177 7.5177 7.5338 7.5338 7.7820 7.7820 7.7862 7.7862 8.3201 8.3201 8.3743 8.3743 8.5970 8.5970 8.6513 8.6513 9.3691 9.3691 9.3801 9.3801 9.4426 9.4426 9.4580 9.4580 10.1136 10.1136 10.1291 10.1291 10.6968 10.6968 10.7158 10.7158 10.7565 10.7565 10.7645 10.7645 11.2798 11.2798 11.2844 11.2844 11.4282 11.4282 11.4415 11.4415 11.4757 11.4757 11.4868 11.4868 11.7790 11.7834 k = 0.3409 0.1968 0.7183 ( 14812 PWs) bands (ev): -3.9251 -3.9251 -3.9251 -3.9251 0.0930 0.0930 0.0934 0.0934 0.3941 0.3941 0.3966 0.3966 0.4636 0.4636 0.4657 0.4657 4.3350 4.3350 4.3399 4.3399 4.8262 4.8262 4.8346 4.8346 5.7835 5.7835 5.7975 5.7975 5.9804 5.9804 6.0007 6.0007 6.1227 6.1227 6.1506 6.1506 6.3148 6.3148 6.3578 6.3578 6.9055 6.9055 6.9359 6.9359 7.0277 7.0277 7.0549 7.0549 7.5175 7.5175 7.5335 7.5335 7.7869 7.7869 7.7904 7.7904 8.3601 8.3601 8.4155 8.4155 8.6145 8.6145 8.6710 8.6710 9.3697 9.3697 9.3797 9.3797 9.4595 9.4595 9.4748 9.4748 10.0696 10.0696 10.0868 10.0868 10.6756 10.6756 10.7074 10.7074 10.7539 10.7539 10.7753 10.7753 11.2805 11.2805 11.2905 11.2905 11.3924 11.3924 11.4067 11.4067 11.5038 11.5038 11.5050 11.5050 11.7576 11.7632 k = 0.3636 0.2099 0.7183 ( 14820 PWs) bands (ev): -3.9246 -3.9246 -3.9246 -3.9246 0.1029 0.1029 0.1033 0.1033 0.3809 0.3809 0.3831 0.3831 0.4597 0.4597 0.4616 0.4616 4.3407 4.3407 4.3451 4.3451 4.8915 4.8915 4.8996 4.8996 5.7639 5.7639 5.7801 5.7801 5.9624 5.9624 5.9761 5.9761 6.1166 6.1166 6.1256 6.1256 6.2556 6.2556 6.2844 6.2844 6.9208 6.9208 6.9420 6.9420 7.0501 7.0501 7.0715 7.0715 7.5173 7.5173 7.5329 7.5329 7.7913 7.7913 7.7943 7.7943 8.3964 8.3964 8.4509 8.4509 8.6318 8.6318 8.6883 8.6883 9.3703 9.3703 9.3793 9.3793 9.4785 9.4785 9.4937 9.4937 10.0225 10.0225 10.0405 10.0405 10.6569 10.6569 10.6878 10.6878 10.7706 10.7706 10.7923 10.7923 11.2628 11.2628 11.2784 11.2784 11.3625 11.3625 11.3822 11.3822 11.5313 11.5313 11.5355 11.5355 11.7404 11.7412 k = 0.3864 0.2231 0.7183 ( 14822 PWs) bands (ev): -3.9241 -3.9241 -3.9241 -3.9241 0.1125 0.1125 0.1129 0.1129 0.3684 0.3684 0.3703 0.3703 0.4564 0.4564 0.4580 0.4580 4.3460 4.3460 4.3498 4.3498 4.9575 4.9575 4.9650 4.9650 5.7451 5.7451 5.7640 5.7640 5.9351 5.9351 5.9447 5.9447 6.0889 6.0889 6.1039 6.1039 6.2229 6.2229 6.2312 6.2312 6.9301 6.9301 6.9440 6.9440 7.0742 7.0742 7.0903 7.0903 7.5173 7.5173 7.5317 7.5317 7.7953 7.7953 7.7977 7.7977 8.4284 8.4284 8.4795 8.4795 8.6496 8.6496 8.7030 8.7030 9.3710 9.3710 9.3788 9.3788 9.4996 9.4996 9.5147 9.5147 9.9742 9.9742 9.9925 9.9925 10.6409 10.6409 10.6677 10.6677 10.7948 10.7948 10.8139 10.8139 11.2316 11.2316 11.2474 11.2474 11.3461 11.3461 11.3666 11.3666 11.5591 11.5591 11.5676 11.5676 11.7275 11.7275 k = 0.4091 0.2362 0.7183 ( 14820 PWs) bands (ev): -3.9237 -3.9237 -3.9237 -3.9237 0.1215 0.1215 0.1219 0.1219 0.3569 0.3569 0.3586 0.3586 0.4536 0.4536 0.4549 0.4549 4.3507 4.3507 4.3539 4.3539 5.0225 5.0225 5.0291 5.0291 5.7276 5.7276 5.7498 5.7498 5.8938 5.8938 5.9056 5.9056 6.0551 6.0551 6.0821 6.0821 6.2034 6.2034 6.2087 6.2087 6.9351 6.9351 6.9438 6.9438 7.0974 7.0974 7.1093 7.1093 7.5173 7.5173 7.5299 7.5299 7.7988 7.7988 7.8006 7.8006 8.4559 8.4559 8.5004 8.5004 8.6679 8.6679 8.7149 8.7149 9.3717 9.3717 9.3782 9.3782 9.5227 9.5227 9.5373 9.5373 9.9270 9.9270 9.9447 9.9447 10.6281 10.6281 10.6499 10.6499 10.8224 10.8224 10.8385 10.8385 11.1957 11.1957 11.2087 11.2087 11.3357 11.3357 11.3536 11.3536 11.5864 11.5864 11.5986 11.5986 11.7178 11.7180 k = 0.4318 0.2493 0.7183 ( 14800 PWs) bands (ev): -3.9234 -3.9234 -3.9234 -3.9234 0.1294 0.1294 0.1297 0.1297 0.3471 0.3471 0.3484 0.3484 0.4514 0.4514 0.4524 0.4524 4.3547 4.3547 4.3571 4.3571 5.0838 5.0838 5.0891 5.0891 5.7114 5.7114 5.7371 5.7371 5.8428 5.8428 5.8610 5.8610 6.0343 6.0343 6.0589 6.0589 6.1937 6.1937 6.2024 6.2024 6.9374 6.9374 6.9426 6.9426 7.1176 7.1176 7.1262 7.1262 7.5176 7.5176 7.5277 7.5277 7.8015 7.8015 7.8029 7.8029 8.4786 8.4786 8.5140 8.5140 8.6858 8.6858 8.7235 8.7235 9.3725 9.3725 9.3775 9.3775 9.5469 9.5469 9.5605 9.5605 9.8832 9.8832 9.8995 9.8995 10.6185 10.6185 10.6351 10.6351 10.8513 10.8513 10.8639 10.8639 11.1606 11.1606 11.1702 11.1702 11.3270 11.3270 11.3411 11.3411 11.6122 11.6122 11.6274 11.6274 11.7099 11.7099 k = 0.4545 0.2624 0.7183 ( 14808 PWs) bands (ev): -3.9232 -3.9232 -3.9232 -3.9232 0.1356 0.1356 0.1359 0.1359 0.3395 0.3395 0.3404 0.3404 0.4499 0.4499 0.4505 0.4505 4.3577 4.3577 4.3594 4.3594 5.1367 5.1367 5.1404 5.1404 5.6974 5.6974 5.7238 5.7238 5.7964 5.7964 5.8187 5.8187 6.0240 6.0240 6.0410 6.0410 6.1918 6.1918 6.1990 6.1990 6.9383 6.9383 6.9412 6.9412 7.1335 7.1335 7.1391 7.1391 7.5181 7.5181 7.5253 7.5253 7.8036 7.8036 7.8045 7.8045 8.4965 8.4965 8.5209 8.5209 8.7020 8.7020 8.7282 8.7282 9.3733 9.3733 9.3767 9.3767 9.5707 9.5707 9.5821 9.5821 9.8464 9.8464 9.8597 9.8597 10.6124 10.6124 10.6236 10.6236 10.8786 10.8786 10.8875 10.8875 11.1301 11.1301 11.1362 11.1362 11.3201 11.3201 11.3298 11.3298 11.6354 11.6354 11.6526 11.6526 11.7024 11.7024 k = 0.4773 0.2756 0.7183 ( 14810 PWs) bands (ev): -3.9230 -3.9230 -3.9230 -3.9230 0.1398 0.1398 0.1399 0.1399 0.3348 0.3348 0.3352 0.3352 0.4490 0.4490 0.4493 0.4493 4.3598 4.3598 4.3606 4.3606 5.1745 5.1745 5.1764 5.1764 5.6883 5.6883 5.7057 5.7057 5.7712 5.7712 5.7869 5.7869 6.0207 6.0207 6.0291 6.0291 6.1927 6.1927 6.1966 6.1966 6.9387 6.9387 6.9400 6.9400 7.1440 7.1440 7.1468 7.1468 7.5192 7.5192 7.5229 7.5229 7.8050 7.8050 7.8054 7.8054 8.5097 8.5097 8.5222 8.5222 8.7151 8.7151 8.7285 8.7285 9.3742 9.3742 9.3759 9.3759 9.5906 9.5906 9.5976 9.5976 9.8216 9.8216 9.8295 9.8295 10.6099 10.6099 10.6155 10.6155 10.9003 10.9003 10.9050 10.9050 11.1083 11.1083 11.1111 11.1111 11.3162 11.3162 11.3212 11.3212 11.6551 11.6551 11.6704 11.6704 11.6967 11.6967 k = 0.5000 0.2887 0.7183 ( 14816 PWs) bands (ev): -3.9230 -3.9230 -3.9230 -3.9230 0.1412 0.1412 0.1412 0.1412 0.3333 0.3333 0.3333 0.3333 0.4488 0.4488 0.4488 0.4488 4.3608 4.3608 4.3608 4.3608 5.1890 5.1890 5.1890 5.1890 5.6902 5.6902 5.6902 5.6902 5.7702 5.7702 5.7702 5.7702 6.0225 6.0225 6.0225 6.0225 6.1945 6.1945 6.1945 6.1945 6.9392 6.9392 6.9392 6.9392 7.1485 7.1485 7.1485 7.1485 7.5208 7.5208 7.5208 7.5208 7.8056 7.8056 7.8056 7.8056 8.5183 8.5183 8.5183 8.5183 8.7241 8.7241 8.7241 8.7241 9.3751 9.3751 9.3751 9.3751 9.6011 9.6011 9.6011 9.6011 9.8153 9.8153 9.8153 9.8153 10.6109 10.6109 10.6109 10.6109 10.9103 10.9103 10.9103 10.9103 11.1007 11.1007 11.1007 11.1007 11.3165 11.3165 11.3165 11.3165 11.6695 11.6695 11.6695 11.6695 11.7026 11.7026 k = 0.5000 0.2887 0.7183 ( 14816 PWs) bands (ev): -3.9230 -3.9230 -3.9230 -3.9230 0.1412 0.1412 0.1412 0.1412 0.3333 0.3333 0.3333 0.3333 0.4488 0.4488 0.4488 0.4488 4.3608 4.3608 4.3608 4.3608 5.1890 5.1890 5.1890 5.1890 5.6902 5.6902 5.6902 5.6902 5.7702 5.7702 5.7702 5.7702 6.0225 6.0225 6.0225 6.0225 6.1945 6.1945 6.1945 6.1945 6.9392 6.9392 6.9392 6.9392 7.1485 7.1485 7.1485 7.1485 7.5208 7.5208 7.5208 7.5208 7.8056 7.8056 7.8056 7.8056 8.5183 8.5183 8.5183 8.5183 8.7241 8.7241 8.7241 8.7241 9.3751 9.3751 9.3751 9.3751 9.6011 9.6011 9.6011 9.6011 9.8153 9.8153 9.8153 9.8153 10.6109 10.6109 10.6109 10.6109 10.9103 10.9103 10.9103 10.9103 11.1007 11.1007 11.1007 11.1007 11.3165 11.3165 11.3165 11.3165 11.6695 11.6695 11.6695 11.6695 11.7026 11.7026 k = 0.4872 0.3109 0.7183 ( 14804 PWs) bands (ev): -3.9230 -3.9230 -3.9230 -3.9230 0.1418 0.1418 0.1418 0.1418 0.3326 0.3326 0.3326 0.3326 0.4486 0.4486 0.4486 0.4486 4.3635 4.3635 4.3635 4.3635 5.1836 5.1836 5.1836 5.1836 5.6906 5.6906 5.6906 5.6906 5.7736 5.7736 5.7736 5.7736 6.0227 6.0227 6.0227 6.0227 6.1944 6.1944 6.1944 6.1944 6.9397 6.9397 6.9397 6.9397 7.1487 7.1487 7.1487 7.1487 7.5070 7.5070 7.5070 7.5070 7.8202 7.8202 7.8202 7.8202 8.5175 8.5175 8.5175 8.5175 8.7232 8.7232 8.7232 8.7232 9.3755 9.3755 9.3755 9.3755 9.5993 9.5993 9.5993 9.5993 9.8129 9.8129 9.8129 9.8129 10.6148 10.6148 10.6148 10.6148 10.9138 10.9138 10.9138 10.9138 11.1019 11.1019 11.1019 11.1019 11.3169 11.3169 11.3169 11.3169 11.6642 11.6642 11.6642 11.6642 11.6959 11.6959 k = 0.4744 0.3331 0.7183 ( 14808 PWs) bands (ev): -3.9229 -3.9229 -3.9229 -3.9229 0.1436 0.1436 0.1436 0.1436 0.3308 0.3308 0.3308 0.3308 0.4479 0.4479 0.4479 0.4479 4.3715 4.3715 4.3715 4.3715 5.1681 5.1681 5.1681 5.1681 5.6915 5.6915 5.6915 5.6915 5.7834 5.7834 5.7834 5.7834 6.0234 6.0234 6.0234 6.0234 6.1941 6.1941 6.1941 6.1941 6.9411 6.9411 6.9411 6.9411 7.1494 7.1494 7.1494 7.1494 7.4723 7.4723 7.4723 7.4723 7.8574 7.8574 7.8574 7.8574 8.5149 8.5149 8.5149 8.5149 8.7203 8.7203 8.7203 8.7203 9.3768 9.3768 9.3768 9.3768 9.5939 9.5939 9.5939 9.5939 9.8060 9.8060 9.8060 9.8060 10.6262 10.6262 10.6262 10.6262 10.9242 10.9242 10.9242 10.9242 11.1054 11.1054 11.1054 11.1054 11.3182 11.3182 11.3182 11.3182 11.6466 11.6466 11.6466 11.6466 11.6814 11.6814 k = 0.4615 0.3553 0.7183 ( 14792 PWs) bands (ev): -3.9229 -3.9229 -3.9229 -3.9229 0.1466 0.1466 0.1466 0.1466 0.3276 0.3276 0.3276 0.3276 0.4469 0.4469 0.4469 0.4469 4.3848 4.3848 4.3848 4.3848 5.1438 5.1438 5.1438 5.1438 5.6927 5.6927 5.6927 5.6927 5.7985 5.7985 5.7985 5.7985 6.0246 6.0246 6.0246 6.0246 6.1933 6.1933 6.1933 6.1933 6.9434 6.9434 6.9434 6.9434 7.1501 7.1501 7.1501 7.1501 7.4278 7.4278 7.4278 7.4278 7.9066 7.9066 7.9066 7.9066 8.5107 8.5107 8.5107 8.5107 8.7158 8.7158 8.7158 8.7158 9.3790 9.3790 9.3790 9.3790 9.5854 9.5854 9.5854 9.5854 9.7951 9.7951 9.7951 9.7951 10.6445 10.6445 10.6445 10.6445 10.9410 10.9410 10.9410 10.9410 11.1110 11.1110 11.1110 11.1110 11.3203 11.3203 11.3203 11.3203 11.6180 11.6180 11.6180 11.6181 11.6648 11.6648 k = 0.4487 0.3775 0.7183 ( 14804 PWs) bands (ev): -3.9228 -3.9228 -3.9228 -3.9228 0.1508 0.1508 0.1508 0.1508 0.3233 0.3233 0.3233 0.3233 0.4455 0.4455 0.4455 0.4455 4.4031 4.4031 4.4031 4.4031 5.1126 5.1126 5.1126 5.1126 5.6940 5.6940 5.6940 5.6940 5.8171 5.8171 5.8171 5.8171 6.0266 6.0266 6.0266 6.0266 6.1918 6.1918 6.1918 6.1918 6.9465 6.9465 6.9465 6.9465 7.1501 7.1501 7.1501 7.1501 7.3808 7.3808 7.3808 7.3808 7.9614 7.9614 7.9614 7.9614 8.5049 8.5049 8.5049 8.5049 8.7095 8.7095 8.7095 8.7095 9.3822 9.3822 9.3822 9.3822 9.5744 9.5744 9.5744 9.5744 9.7807 9.7807 9.7807 9.7807 10.6683 10.6683 10.6683 10.6683 10.9632 10.9632 10.9632 10.9632 11.1185 11.1185 11.1185 11.1185 11.3232 11.3232 11.3232 11.3232 11.5839 11.5839 11.5839 11.5839 11.6458 11.6458 k = 0.4359 0.3997 0.7183 ( 14808 PWs) bands (ev): -3.9227 -3.9227 -3.9227 -3.9227 0.1561 0.1561 0.1561 0.1561 0.3176 0.3176 0.3176 0.3176 0.4439 0.4439 0.4439 0.4439 4.4263 4.4263 4.4263 4.4263 5.0763 5.0763 5.0763 5.0763 5.6953 5.6953 5.6953 5.6953 5.8372 5.8372 5.8372 5.8372 6.0297 6.0297 6.0297 6.0297 6.1890 6.1890 6.1890 6.1890 6.9504 6.9504 6.9504 6.9504 7.1483 7.1483 7.1483 7.1483 7.3363 7.3363 7.3363 7.3363 8.0181 8.0181 8.0181 8.0181 8.4976 8.4976 8.4976 8.4976 8.7018 8.7018 8.7018 8.7018 9.3865 9.3865 9.3865 9.3865 9.5616 9.5616 9.5616 9.5616 9.7638 9.7638 9.7638 9.7638 10.6963 10.6963 10.6963 10.6963 10.9899 10.9899 10.9899 10.9899 11.1276 11.1276 11.1276 11.1276 11.3268 11.3268 11.3268 11.3268 11.5485 11.5485 11.5485 11.5485 11.6232 11.6232 k = 0.4231 0.4219 0.7183 ( 14808 PWs) bands (ev): -3.9225 -3.9225 -3.9225 -3.9225 0.1626 0.1626 0.1626 0.1626 0.3108 0.3108 0.3108 0.3108 0.4422 0.4422 0.4422 0.4422 4.4541 4.4541 4.4541 4.4541 5.0363 5.0363 5.0363 5.0363 5.6969 5.6969 5.6969 5.6969 5.8569 5.8569 5.8569 5.8569 6.0340 6.0340 6.0340 6.0340 6.1847 6.1847 6.1847 6.1847 6.9551 6.9551 6.9551 6.9551 7.1422 7.1422 7.1422 7.1422 7.2986 7.2986 7.2986 7.2986 8.0748 8.0748 8.0748 8.0748 8.4889 8.4889 8.4889 8.4889 8.6929 8.6929 8.6929 8.6929 9.3918 9.3918 9.3918 9.3918 9.5476 9.5476 9.5476 9.5476 9.7453 9.7453 9.7453 9.7453 10.7268 10.7268 10.7268 10.7268 11.0200 11.0200 11.0200 11.0200 11.1379 11.1379 11.1379 11.1379 11.3310 11.3310 11.3310 11.3310 11.5143 11.5143 11.5143 11.5143 11.5971 11.5971 k = 0.4103 0.4441 0.7183 ( 14794 PWs) bands (ev): -3.9224 -3.9224 -3.9224 -3.9224 0.1701 0.1701 0.1701 0.1701 0.3027 0.3027 0.3027 0.3027 0.4405 0.4405 0.4405 0.4405 4.4859 4.4859 4.4859 4.4859 4.9939 4.9939 4.9939 4.9939 5.6989 5.6989 5.6989 5.6989 5.8747 5.8747 5.8747 5.8747 6.0399 6.0399 6.0399 6.0399 6.1783 6.1783 6.1783 6.1783 6.9604 6.9604 6.9604 6.9604 7.1295 7.1295 7.1295 7.1295 7.2716 7.2716 7.2716 7.2716 8.1301 8.1301 8.1301 8.1301 8.4790 8.4790 8.4790 8.4790 8.6831 8.6831 8.6831 8.6831 9.3983 9.3983 9.3983 9.3983 9.5330 9.5330 9.5330 9.5330 9.7261 9.7261 9.7261 9.7261 10.7579 10.7579 10.7579 10.7579 11.0522 11.0522 11.0522 11.0522 11.1490 11.1490 11.1490 11.1490 11.3355 11.3355 11.3355 11.3355 11.4830 11.4830 11.4830 11.4830 11.5677 11.5677 k = 0.3974 0.4663 0.7183 ( 14810 PWs) bands (ev): -3.9223 -3.9223 -3.9223 -3.9223 0.1786 0.1786 0.1786 0.1786 0.2936 0.2936 0.2936 0.2936 0.4389 0.4389 0.4389 0.4389 4.5214 4.5214 4.5214 4.5214 4.9502 4.9502 4.9502 4.9502 5.7012 5.7012 5.7012 5.7012 5.8894 5.8894 5.8894 5.8894 6.0475 6.0475 6.0475 6.0475 6.1697 6.1697 6.1697 6.1697 6.9662 6.9662 6.9662 6.9662 7.1097 7.1097 7.1097 7.1097 7.2565 7.2565 7.2565 7.2565 8.1826 8.1826 8.1826 8.1826 8.4681 8.4681 8.4681 8.4681 8.6727 8.6727 8.6727 8.6727 9.4061 9.4061 9.4061 9.4061 9.5185 9.5185 9.5185 9.5185 9.7069 9.7069 9.7069 9.7069 10.7878 10.7878 10.7878 10.7878 11.0853 11.0853 11.0853 11.0853 11.1603 11.1603 11.1603 11.1603 11.3396 11.3396 11.3396 11.3396 11.4561 11.4561 11.4561 11.4561 11.5359 11.5359 k = 0.3846 0.4885 0.7183 ( 14810 PWs) bands (ev): -3.9221 -3.9221 -3.9221 -3.9221 0.1882 0.1882 0.1882 0.1882 0.2834 0.2834 0.2834 0.2834 0.4375 0.4375 0.4375 0.4375 4.5599 4.5599 4.5599 4.5599 4.9058 4.9058 4.9058 4.9058 5.7039 5.7039 5.7039 5.7039 5.9004 5.9004 5.9004 5.9004 6.0566 6.0566 6.0566 6.0566 6.1589 6.1589 6.1589 6.1589 6.9725 6.9725 6.9725 6.9725 7.0865 7.0865 7.0865 7.0865 7.2505 7.2505 7.2505 7.2505 8.2309 8.2309 8.2309 8.2309 8.4568 8.4568 8.4568 8.4568 8.6622 8.6622 8.6622 8.6622 9.4153 9.4153 9.4153 9.4153 9.5045 9.5045 9.5045 9.5045 9.6886 9.6886 9.6886 9.6886 10.8144 10.8144 10.8144 10.8144 11.1181 11.1181 11.1181 11.1181 11.1717 11.1717 11.1717 11.1717 11.3423 11.3423 11.3423 11.3423 11.4348 11.4348 11.4348 11.4348 11.5031 11.5031 k = 0.3718 0.5107 0.7183 ( 14816 PWs) bands (ev): -3.9220 -3.9220 -3.9220 -3.9220 0.1986 0.1986 0.1986 0.1986 0.2723 0.2723 0.2723 0.2723 0.4363 0.4363 0.4363 0.4363 4.6007 4.6007 4.6007 4.6007 4.8616 4.8616 4.8616 4.8616 5.7069 5.7069 5.7069 5.7069 5.9077 5.9077 5.9077 5.9077 6.0665 6.0665 6.0665 6.0665 6.1466 6.1466 6.1466 6.1466 6.9789 6.9789 6.9789 6.9789 7.0641 7.0641 7.0641 7.0641 7.2495 7.2495 7.2495 7.2495 8.2732 8.2732 8.2732 8.2732 8.4458 8.4458 8.4458 8.4458 8.6523 8.6523 8.6523 8.6523 9.4256 9.4256 9.4256 9.4256 9.4912 9.4912 9.4912 9.4912 9.6721 9.6721 9.6721 9.6721 10.8361 10.8361 10.8361 10.8361 11.1486 11.1486 11.1486 11.1486 11.1834 11.1834 11.1834 11.1834 11.3420 11.3420 11.3420 11.3420 11.4191 11.4191 11.4192 11.4192 11.4722 11.4722 k = 0.3590 0.5329 0.7183 ( 14802 PWs) bands (ev): -3.9219 -3.9219 -3.9219 -3.9219 0.2100 0.2100 0.2100 0.2100 0.2605 0.2605 0.2605 0.2605 0.4353 0.4353 0.4353 0.4353 4.6428 4.6428 4.6428 4.6428 4.8180 4.8180 4.8180 4.8180 5.7098 5.7098 5.7098 5.7098 5.9118 5.9118 5.9118 5.9118 6.0761 6.0761 6.0761 6.0761 6.1341 6.1341 6.1341 6.1341 6.9850 6.9850 6.9850 6.9850 7.0458 7.0458 7.0458 7.0458 7.2507 7.2507 7.2507 7.2507 8.3068 8.3068 8.3068 8.3068 8.4364 8.4364 8.4364 8.4364 8.6438 8.6438 8.6438 8.6438 9.4368 9.4368 9.4368 9.4368 9.4790 9.4790 9.4790 9.4790 9.6584 9.6584 9.6584 9.6584 10.8516 10.8516 10.8516 10.8516 11.1742 11.1742 11.1742 11.1742 11.1964 11.1964 11.1964 11.1964 11.3360 11.3360 11.3360 11.3360 11.4085 11.4085 11.4086 11.4086 11.4480 11.4480 k = 0.3462 0.5551 0.7183 ( 14810 PWs) bands (ev): -3.9219 -3.9219 -3.9219 -3.9219 0.2221 0.2221 0.2221 0.2221 0.2480 0.2480 0.2480 0.2480 0.4348 0.4348 0.4348 0.4348 4.6840 4.6840 4.6840 4.6840 4.7766 4.7766 4.7766 4.7766 5.7121 5.7121 5.7121 5.7121 5.9133 5.9133 5.9133 5.9133 6.0836 6.0836 6.0836 6.0836 6.1240 6.1240 6.1240 6.1240 6.9896 6.9896 6.9896 6.9896 7.0339 7.0339 7.0339 7.0339 7.2521 7.2521 7.2521 7.2521 8.3280 8.3280 8.3280 8.3280 8.4309 8.4309 8.4309 8.4309 8.6379 8.6379 8.6379 8.6379 9.4479 9.4479 9.4479 9.4479 9.4683 9.4683 9.4683 9.4683 9.6489 9.6489 9.6489 9.6489 10.8604 10.8604 10.8604 10.8604 11.1919 11.1919 11.1919 11.1919 11.2093 11.2093 11.2093 11.2093 11.3239 11.3239 11.3239 11.3239 11.4027 11.4027 11.4027 11.4027 11.4348 11.4348 k = 0.3333 0.5774 0.7183 ( 14832 PWs) bands (ev): -3.9219 -3.9219 -3.9219 -3.9219 0.2339 0.2339 0.2339 0.2339 0.2360 0.2360 0.2360 0.2360 0.4346 0.4346 0.4346 0.4346 4.7117 4.7117 4.7117 4.7117 4.7492 4.7492 4.7492 4.7492 5.7130 5.7130 5.7130 5.7130 5.9135 5.9135 5.9135 5.9135 6.0864 6.0864 6.0864 6.0864 6.1201 6.1201 6.1201 6.1201 6.9912 6.9912 6.9912 6.9912 7.0299 7.0299 7.0299 7.0299 7.2528 7.2528 7.2528 7.2528 8.3347 8.3347 8.3347 8.3347 8.4297 8.4297 8.4297 8.4297 8.6357 8.6357 8.6357 8.6357 9.4556 9.4556 9.4556 9.4556 9.4610 9.4610 9.4610 9.4610 9.6452 9.6452 9.6452 9.6452 10.8631 10.8631 10.8631 10.8631 11.2013 11.2013 11.2013 11.2013 11.2128 11.2128 11.2128 11.2128 11.3163 11.3163 11.3163 11.3163 11.4014 11.4014 11.4014 11.4014 11.4310 11.4310 k = 0.3333 0.5774 0.7183 ( 14832 PWs) bands (ev): -3.9219 -3.9219 -3.9219 -3.9219 0.2339 0.2339 0.2339 0.2339 0.2360 0.2360 0.2360 0.2360 0.4346 0.4346 0.4346 0.4346 4.7117 4.7117 4.7117 4.7117 4.7492 4.7492 4.7492 4.7492 5.7130 5.7130 5.7130 5.7130 5.9135 5.9135 5.9135 5.9135 6.0864 6.0864 6.0864 6.0864 6.1201 6.1201 6.1201 6.1201 6.9912 6.9912 6.9912 6.9912 7.0299 7.0299 7.0299 7.0299 7.2528 7.2528 7.2528 7.2528 8.3347 8.3347 8.3347 8.3347 8.4297 8.4297 8.4297 8.4297 8.6357 8.6357 8.6357 8.6357 9.4556 9.4556 9.4556 9.4556 9.4610 9.4610 9.4610 9.4610 9.6452 9.6452 9.6452 9.6452 10.8631 10.8631 10.8631 10.8631 11.2013 11.2013 11.2013 11.2013 11.2128 11.2128 11.2128 11.2128 11.3163 11.3163 11.3163 11.3163 11.4014 11.4014 11.4014 11.4014 11.4310 11.4310 k = 0.3200 0.5543 0.7183 ( 14808 PWs) bands (ev): -3.9219 -3.9219 -3.9219 -3.9219 0.2210 0.2210 0.2210 0.2210 0.2491 0.2491 0.2491 0.2491 0.4348 0.4348 0.4348 0.4348 4.6840 4.6840 4.6840 4.6840 4.7761 4.7761 4.7761 4.7761 5.7118 5.7118 5.7118 5.7118 5.9139 5.9139 5.9139 5.9139 6.0848 6.0848 6.0848 6.0848 6.1234 6.1234 6.1234 6.1234 6.9903 6.9903 6.9903 6.9903 7.0331 7.0331 7.0331 7.0331 7.2519 7.2519 7.2519 7.2519 8.3293 8.3293 8.3293 8.3293 8.4289 8.4289 8.4289 8.4289 8.6381 8.6381 8.6381 8.6381 9.4493 9.4493 9.4493 9.4493 9.4662 9.4662 9.4662 9.4662 9.6498 9.6498 9.6498 9.6498 10.8608 10.8608 10.8608 10.8608 11.1813 11.1813 11.1813 11.1813 11.2198 11.2198 11.2198 11.2198 11.3253 11.3253 11.3253 11.3253 11.4013 11.4013 11.4013 11.4013 11.4346 11.4346 k = 0.3067 0.5312 0.7183 ( 14796 PWs) bands (ev): -3.9220 -3.9220 -3.9220 -3.9220 0.2069 0.2069 0.2069 0.2069 0.2637 0.2637 0.2637 0.2637 0.4355 0.4355 0.4355 0.4355 4.6451 4.6451 4.6451 4.6451 4.8115 4.8115 4.8115 4.8115 5.7082 5.7082 5.7082 5.7082 5.9164 5.9164 5.9164 5.9164 6.0835 6.0835 6.0835 6.0835 6.1306 6.1306 6.1306 6.1306 6.9892 6.9892 6.9892 6.9892 7.0403 7.0403 7.0403 7.0403 7.2492 7.2492 7.2492 7.2492 8.3166 8.3166 8.3166 8.3166 8.4237 8.4237 8.4237 8.4237 8.6446 8.6446 8.6446 8.6446 9.4424 9.4424 9.4424 9.4424 9.4690 9.4690 9.4690 9.4690 9.6645 9.6645 9.6645 9.6645 10.8552 10.8552 10.8552 10.8552 11.1409 11.1409 11.1409 11.1409 11.2307 11.2307 11.2307 11.2307 11.3446 11.3446 11.3446 11.3446 11.4001 11.4001 11.4001 11.4001 11.4441 11.4441 k = 0.2933 0.5081 0.7183 ( 14804 PWs) bands (ev): -3.9221 -3.9221 -3.9221 -3.9221 0.1927 0.1927 0.1927 0.1927 0.2789 0.2789 0.2789 0.2789 0.4367 0.4367 0.4367 0.4367 4.6070 4.6070 4.6070 4.6070 4.8413 4.8413 4.8413 4.8413 5.7032 5.7032 5.7032 5.7032 5.9221 5.9221 5.9221 5.9221 6.0852 6.0852 6.0852 6.0852 6.1401 6.1401 6.1401 6.1401 6.9891 6.9891 6.9891 6.9891 7.0486 7.0486 7.0486 7.0486 7.2448 7.2448 7.2448 7.2448 8.3002 8.3002 8.3002 8.3002 8.4121 8.4121 8.4121 8.4121 8.6531 8.6531 8.6531 8.6531 9.4366 9.4366 9.4366 9.4366 9.4675 9.4675 9.4675 9.4675 9.6893 9.6893 9.6893 9.6893 10.8481 10.8481 10.8481 10.8481 11.0937 11.0937 11.0937 11.0937 11.2418 11.2418 11.2418 11.2418 11.3621 11.3621 11.3621 11.3621 11.4018 11.4018 11.4018 11.4018 11.4573 11.4573 k = 0.2800 0.4850 0.7183 ( 14802 PWs) bands (ev): -3.9223 -3.9223 -3.9223 -3.9223 0.1785 0.1785 0.1785 0.1785 0.2944 0.2944 0.2944 0.2944 0.4384 0.4384 0.4384 0.4384 4.5707 4.5707 4.5707 4.5707 4.8625 4.8625 4.8625 4.8625 5.6989 5.6989 5.6989 5.6989 5.9313 5.9313 5.9313 5.9313 6.0898 6.0898 6.0898 6.0898 6.1530 6.1530 6.1530 6.1530 6.9897 6.9897 6.9897 6.9897 7.0565 7.0565 7.0565 7.0565 7.2396 7.2396 7.2396 7.2396 8.2817 8.2817 8.2817 8.2817 8.3947 8.3947 8.3947 8.3947 8.6615 8.6615 8.6615 8.6615 9.4317 9.4317 9.4317 9.4317 9.4628 9.4628 9.4628 9.4628 9.7229 9.7229 9.7229 9.7229 10.8411 10.8411 10.8411 10.8411 11.0443 11.0443 11.0443 11.0443 11.2533 11.2533 11.2533 11.2533 11.3652 11.3652 11.3652 11.3652 11.4175 11.4175 11.4175 11.4175 11.4720 11.4720 k = 0.2667 0.4619 0.7183 ( 14806 PWs) bands (ev): -3.9226 -3.9226 -3.9226 -3.9226 0.1644 0.1644 0.1644 0.1644 0.3103 0.3103 0.3103 0.3103 0.4407 0.4407 0.4407 0.4407 4.5365 4.5365 4.5365 4.5365 4.8729 4.8729 4.8729 4.8729 5.6981 5.6981 5.6981 5.6981 5.9431 5.9431 5.9431 5.9431 6.0955 6.0955 6.0955 6.0955 6.1721 6.1721 6.1721 6.1721 6.9903 6.9903 6.9903 6.9903 7.0624 7.0624 7.0624 7.0624 7.2349 7.2349 7.2349 7.2349 8.2618 8.2618 8.2618 8.2618 8.3724 8.3724 8.3724 8.3724 8.6678 8.6678 8.6678 8.6678 9.4274 9.4274 9.4274 9.4274 9.4562 9.4562 9.4562 9.4562 9.7637 9.7637 9.7637 9.7637 10.8349 10.8349 10.8349 10.8349 10.9952 10.9952 10.9952 10.9952 11.2653 11.2653 11.2653 11.2653 11.3573 11.3573 11.3573 11.3573 11.4434 11.4434 11.4434 11.4435 11.4867 11.4867 k = 0.2533 0.4388 0.7183 ( 14802 PWs) bands (ev): -3.9229 -3.9229 -3.9229 -3.9229 0.1506 0.1506 0.1506 0.1506 0.3263 0.3263 0.3263 0.3263 0.4435 0.4435 0.4435 0.4435 4.5046 4.5046 4.5046 4.5046 4.8713 4.8713 4.8713 4.8713 5.7025 5.7025 5.7025 5.7025 5.9564 5.9564 5.9564 5.9564 6.1002 6.1002 6.1002 6.1002 6.2003 6.2003 6.2003 6.2003 6.9895 6.9895 6.9895 6.9895 7.0650 7.0650 7.0650 7.0650 7.2328 7.2328 7.2328 7.2328 8.2409 8.2409 8.2409 8.2409 8.3462 8.3462 8.3462 8.3462 8.6712 8.6712 8.6712 8.6712 9.4235 9.4235 9.4235 9.4235 9.4487 9.4487 9.4487 9.4487 9.8102 9.8102 9.8102 9.8102 10.8301 10.8301 10.8301 10.8301 10.9480 10.9480 10.9480 10.9480 11.2778 11.2778 11.2778 11.2778 11.3462 11.3462 11.3462 11.3462 11.4724 11.4724 11.4724 11.4724 11.5013 11.5013 k = 0.2400 0.4157 0.7183 ( 14818 PWs) bands (ev): -3.9233 -3.9233 -3.9233 -3.9233 0.1371 0.1371 0.1371 0.1371 0.3424 0.3424 0.3424 0.3424 0.4468 0.4468 0.4468 0.4468 4.4750 4.4750 4.4750 4.4750 4.8580 4.8580 4.8580 4.8580 5.7130 5.7130 5.7130 5.7130 5.9705 5.9705 5.9705 5.9705 6.1034 6.1034 6.1034 6.1034 6.2390 6.2390 6.2390 6.2390 6.9853 6.9853 6.9853 6.9853 7.0639 7.0639 7.0639 7.0639 7.2352 7.2352 7.2352 7.2352 8.2188 8.2188 8.2188 8.2188 8.3168 8.3168 8.3168 8.3168 8.6711 8.6711 8.6711 8.6711 9.4194 9.4194 9.4194 9.4194 9.4410 9.4410 9.4410 9.4410 9.8609 9.8609 9.8609 9.8609 10.8257 10.8257 10.8257 10.8257 10.9051 10.9051 10.9051 10.9051 11.2897 11.2897 11.2897 11.2897 11.3346 11.3346 11.3346 11.3346 11.5008 11.5008 11.5012 11.5015 11.5175 11.5175 k = 0.2267 0.3926 0.7183 ( 14792 PWs) bands (ev): -3.9238 -3.9238 -3.9238 -3.9238 0.1241 0.1241 0.1241 0.1241 0.3584 0.3584 0.3584 0.3584 0.4506 0.4506 0.4506 0.4506 4.4478 4.4478 4.4478 4.4478 4.8340 4.8340 4.8340 4.8340 5.7290 5.7290 5.7290 5.7290 5.9847 5.9847 5.9847 5.9847 6.1056 6.1056 6.1056 6.1056 6.2880 6.2880 6.2880 6.2880 6.9760 6.9760 6.9760 6.9760 7.0601 7.0601 7.0601 7.0601 7.2428 7.2428 7.2428 7.2428 8.1956 8.1956 8.1956 8.1956 8.2848 8.2848 8.2848 8.2848 8.6673 8.6673 8.6673 8.6673 9.4150 9.4150 9.4150 9.4150 9.4335 9.4335 9.4335 9.4335 9.9145 9.9145 9.9145 9.9145 10.8177 10.8177 10.8177 10.8177 10.8716 10.8716 10.8716 10.8716 11.2991 11.2991 11.2991 11.2991 11.3241 11.3241 11.3241 11.3241 11.5221 11.5221 11.5223 11.5223 11.5426 11.5426 k = 0.2133 0.3695 0.7183 ( 14800 PWs) bands (ev): -3.9243 -3.9243 -3.9243 -3.9243 0.1115 0.1115 0.1115 0.1115 0.3743 0.3743 0.3743 0.3743 0.4549 0.4549 0.4549 0.4549 4.4231 4.4231 4.4231 4.4231 4.8015 4.8015 4.8015 4.8015 5.7490 5.7490 5.7490 5.7490 5.9987 5.9987 5.9987 5.9987 6.1080 6.1080 6.1080 6.1080 6.3462 6.3462 6.3462 6.3462 6.9599 6.9599 6.9599 6.9599 7.0555 7.0555 7.0555 7.0555 7.2554 7.2554 7.2554 7.2554 8.1708 8.1708 8.1708 8.1708 8.2510 8.2510 8.2510 8.2510 8.6598 8.6598 8.6598 8.6598 9.4102 9.4102 9.4102 9.4102 9.4266 9.4266 9.4266 9.4266 9.9695 9.9695 9.9695 9.9695 10.7982 10.7982 10.7982 10.7982 10.8561 10.8561 10.8561 10.8561 11.3017 11.3017 11.3017 11.3017 11.3175 11.3175 11.3175 11.3175 11.5399 11.5399 11.5400 11.5400 11.5747 11.5747 k = 0.2000 0.3464 0.7183 ( 14808 PWs) bands (ev): -3.9249 -3.9249 -3.9249 -3.9249 0.0995 0.0995 0.0995 0.0995 0.3899 0.3899 0.3899 0.3899 0.4596 0.4596 0.4596 0.4596 4.4007 4.4007 4.4007 4.4007 4.7626 4.7626 4.7626 4.7626 5.7714 5.7714 5.7714 5.7714 6.0115 6.0115 6.0115 6.0115 6.1123 6.1123 6.1123 6.1123 6.4123 6.4123 6.4123 6.4123 6.9372 6.9372 6.9372 6.9372 7.0511 7.0511 7.0511 7.0511 7.2720 7.2720 7.2720 7.2720 8.1440 8.1440 8.1440 8.1440 8.2161 8.2161 8.2161 8.2161 8.6487 8.6487 8.6487 8.6487 9.4050 9.4050 9.4050 9.4050 9.4202 9.4202 9.4202 9.4202 10.0240 10.0240 10.0240 10.0240 10.7719 10.7719 10.7719 10.7719 10.8550 10.8550 10.8550 10.8550 11.2961 11.2961 11.2961 11.2961 11.3142 11.3142 11.3142 11.3142 11.5613 11.5613 11.5613 11.5613 11.6089 11.6089 k = 0.1867 0.3233 0.7183 ( 14816 PWs) bands (ev): -3.9255 -3.9255 -3.9255 -3.9255 0.0881 0.0881 0.0881 0.0881 0.4050 0.4050 0.4050 0.4050 0.4647 0.4647 0.4647 0.4647 4.3807 4.3807 4.3807 4.3807 4.7194 4.7194 4.7194 4.7194 5.7947 5.7947 5.7947 5.7947 6.0221 6.0221 6.0221 6.0221 6.1206 6.1206 6.1206 6.1206 6.4845 6.4845 6.4845 6.4845 6.9097 6.9097 6.9097 6.9097 7.0471 7.0471 7.0471 7.0471 7.2916 7.2916 7.2916 7.2916 8.1144 8.1144 8.1144 8.1144 8.1814 8.1814 8.1814 8.1814 8.6339 8.6339 8.6339 8.6339 9.3997 9.3997 9.3997 9.3997 9.4144 9.4144 9.4144 9.4144 10.0761 10.0761 10.0761 10.0761 10.7485 10.7485 10.7485 10.7485 10.8596 10.8596 10.8596 10.8596 11.2862 11.2862 11.2862 11.2862 11.3093 11.3093 11.3093 11.3093 11.5884 11.5884 11.5884 11.5885 11.6443 11.6443 k = 0.1733 0.3002 0.7183 ( 14808 PWs) bands (ev): -3.9262 -3.9262 -3.9262 -3.9262 0.0773 0.0773 0.0773 0.0773 0.4197 0.4197 0.4197 0.4197 0.4702 0.4702 0.4702 0.4702 4.3630 4.3630 4.3630 4.3630 4.6738 4.6738 4.6738 4.6738 5.8177 5.8177 5.8177 5.8177 6.0291 6.0291 6.0291 6.0291 6.1349 6.1349 6.1349 6.1349 6.5605 6.5605 6.5605 6.5605 6.8799 6.8799 6.8799 6.8799 7.0431 7.0431 7.0431 7.0431 7.3136 7.3136 7.3136 7.3136 8.0812 8.0812 8.0812 8.0812 8.1479 8.1479 8.1479 8.1479 8.6156 8.6156 8.6156 8.6156 9.3944 9.3944 9.3944 9.3944 9.4090 9.4090 9.4090 9.4090 10.1234 10.1234 10.1234 10.1234 10.7322 10.7322 10.7322 10.7322 10.8667 10.8667 10.8667 10.8667 11.2699 11.2699 11.2699 11.2699 11.3055 11.3055 11.3055 11.3055 11.6210 11.6210 11.6210 11.6211 11.6807 11.6807 k = 0.1600 0.2771 0.7183 ( 14806 PWs) bands (ev): -3.9268 -3.9268 -3.9268 -3.9268 0.0672 0.0672 0.0672 0.0672 0.4337 0.4337 0.4337 0.4337 0.4758 0.4758 0.4758 0.4758 4.3475 4.3475 4.3475 4.3475 4.6273 4.6273 4.6273 4.6273 5.8394 5.8394 5.8394 5.8394 6.0325 6.0325 6.0325 6.0325 6.1557 6.1557 6.1557 6.1557 6.6360 6.6360 6.6360 6.6360 6.8516 6.8516 6.8516 6.8516 7.0392 7.0392 7.0392 7.0392 7.3374 7.3374 7.3374 7.3374 8.0446 8.0446 8.0446 8.0446 8.1162 8.1162 8.1162 8.1162 8.5937 8.5937 8.5937 8.5937 9.3893 9.3893 9.3893 9.3893 9.4041 9.4041 9.4041 9.4041 10.1635 10.1635 10.1635 10.1635 10.7251 10.7251 10.7251 10.7251 10.8752 10.8752 10.8752 10.8752 11.2451 11.2451 11.2451 11.2451 11.3066 11.3066 11.3066 11.3066 11.6572 11.6572 11.6572 11.6572 11.7176 11.7176 k = 0.1467 0.2540 0.7183 ( 14810 PWs) bands (ev): -3.9275 -3.9275 -3.9275 -3.9275 0.0579 0.0579 0.0579 0.0579 0.4470 0.4470 0.4470 0.4470 0.4816 0.4816 0.4816 0.4816 4.3341 4.3341 4.3341 4.3341 4.5811 4.5811 4.5811 4.5811 5.8594 5.8594 5.8594 5.8594 6.0329 6.0329 6.0329 6.0329 6.1823 6.1823 6.1823 6.1823 6.6987 6.6987 6.6987 6.6987 6.8355 6.8355 6.8355 6.8355 7.0369 7.0369 7.0369 7.0369 7.3626 7.3626 7.3626 7.3626 8.0052 8.0052 8.0052 8.0052 8.0864 8.0864 8.0864 8.0864 8.5679 8.5679 8.5679 8.5679 9.3845 9.3845 9.3845 9.3845 9.3996 9.3996 9.3996 9.3996 10.1943 10.1943 10.1943 10.1943 10.7285 10.7285 10.7285 10.7285 10.8843 10.8843 10.8843 10.8843 11.2136 11.2136 11.2136 11.2136 11.3133 11.3133 11.3133 11.3133 11.6936 11.6936 11.6936 11.6936 11.7545 11.7545 k = 0.1333 0.2309 0.7183 ( 14804 PWs) bands (ev): -3.9282 -3.9282 -3.9282 -3.9282 0.0492 0.0492 0.0492 0.0492 0.4595 0.4595 0.4595 0.4595 0.4875 0.4875 0.4875 0.4875 4.3226 4.3226 4.3226 4.3226 4.5364 4.5364 4.5364 4.5364 5.8775 5.8775 5.8775 5.8775 6.0315 6.0315 6.0315 6.0315 6.2138 6.2138 6.2138 6.2138 6.7193 6.7193 6.7193 6.7193 6.8563 6.8563 6.8563 6.8563 7.0404 7.0404 7.0404 7.0404 7.3889 7.3889 7.3889 7.3889 7.9643 7.9643 7.9643 7.9643 8.0578 8.0578 8.0578 8.0578 8.5382 8.5382 8.5382 8.5382 9.3802 9.3802 9.3802 9.3802 9.3957 9.3957 9.3957 9.3957 10.2153 10.2153 10.2153 10.2153 10.7418 10.7418 10.7418 10.7418 10.8935 10.8935 10.8935 10.8935 11.1776 11.1776 11.1776 11.1776 11.3261 11.3261 11.3261 11.3261 11.7233 11.7233 11.7233 11.7233 11.7899 11.7899 k = 0.1200 0.2078 0.7183 ( 14820 PWs) bands (ev): -3.9289 -3.9289 -3.9289 -3.9289 0.0414 0.0414 0.0414 0.0414 0.4711 0.4711 0.4711 0.4711 0.4933 0.4933 0.4933 0.4933 4.3127 4.3127 4.3127 4.3127 4.4940 4.4940 4.4940 4.4940 5.8936 5.8936 5.8936 5.8936 6.0291 6.0291 6.0291 6.0291 6.2488 6.2488 6.2488 6.2488 6.7021 6.7021 6.7021 6.7021 6.8976 6.8976 6.8976 6.8976 7.0613 7.0613 7.0613 7.0613 7.4160 7.4160 7.4160 7.4160 7.9233 7.9233 7.9233 7.9233 8.0301 8.0301 8.0301 8.0301 8.5044 8.5044 8.5044 8.5044 9.3763 9.3763 9.3763 9.3763 9.3922 9.3922 9.3922 9.3922 10.2270 10.2270 10.2270 10.2270 10.7630 10.7630 10.7630 10.7630 10.9025 10.9025 10.9025 10.9025 11.1389 11.1389 11.1389 11.1389 11.3452 11.3452 11.3452 11.3452 11.7365 11.7365 11.7365 11.7365 11.8232 11.8233 k = 0.1067 0.1848 0.7183 ( 14806 PWs) bands (ev): -3.9295 -3.9295 -3.9295 -3.9295 0.0343 0.0343 0.0343 0.0343 0.4817 0.4817 0.4817 0.4817 0.4989 0.4989 0.4989 0.4989 4.3043 4.3043 4.3043 4.3043 4.4546 4.4546 4.4546 4.4546 5.9079 5.9079 5.9079 5.9079 6.0263 6.0263 6.0263 6.0263 6.2863 6.2863 6.2863 6.2863 6.6748 6.6748 6.6748 6.6748 6.9186 6.9186 6.9186 6.9186 7.1123 7.1123 7.1123 7.1123 7.4438 7.4438 7.4438 7.4438 7.8834 7.8834 7.8834 7.8834 8.0032 8.0032 8.0032 8.0032 8.4663 8.4663 8.4663 8.4663 9.3729 9.3729 9.3729 9.3729 9.3892 9.3892 9.3892 9.3892 10.2315 10.2315 10.2315 10.2315 10.7887 10.7887 10.7887 10.7887 10.9109 10.9109 10.9109 10.9109 11.0995 11.0995 11.0995 11.0995 11.3712 11.3712 11.3712 11.3712 11.7333 11.7333 11.7333 11.7333 11.8577 11.8577 k = 0.0933 0.1617 0.7183 ( 14804 PWs) bands (ev): -3.9301 -3.9301 -3.9301 -3.9301 0.0280 0.0280 0.0280 0.0280 0.4912 0.4912 0.4912 0.4912 0.5042 0.5042 0.5042 0.5042 4.2972 4.2972 4.2972 4.2972 4.4189 4.4189 4.4189 4.4189 5.9205 5.9205 5.9205 5.9205 6.0233 6.0233 6.0233 6.0233 6.3255 6.3255 6.3255 6.3255 6.6463 6.6463 6.6463 6.6463 6.9177 6.9177 6.9177 6.9177 7.1853 7.1853 7.1853 7.1853 7.4720 7.4720 7.4720 7.4720 7.8458 7.8458 7.8458 7.8458 7.9773 7.9773 7.9773 7.9773 8.4237 8.4237 8.4237 8.4237 9.3699 9.3699 9.3699 9.3699 9.3867 9.3867 9.3867 9.3867 10.2310 10.2310 10.2310 10.2310 10.8155 10.8155 10.8155 10.8155 10.9185 10.9185 10.9185 10.9185 11.0608 11.0608 11.0608 11.0608 11.4043 11.4043 11.4043 11.4043 11.7244 11.7244 11.7244 11.7244 11.8932 11.8932 k = 0.0800 0.1386 0.7183 ( 14808 PWs) bands (ev): -3.9306 -3.9306 -3.9306 -3.9306 0.0225 0.0225 0.0225 0.0225 0.4995 0.4995 0.4995 0.4995 0.5092 0.5092 0.5092 0.5092 4.2909 4.2909 4.2909 4.2909 4.3877 4.3877 4.3877 4.3877 5.9315 5.9315 5.9315 5.9315 6.0203 6.0203 6.0203 6.0203 6.3653 6.3653 6.3653 6.3653 6.6194 6.6194 6.6194 6.6194 6.9059 6.9059 6.9059 6.9059 7.2656 7.2656 7.2656 7.2656 7.5005 7.5005 7.5005 7.5005 7.8120 7.8120 7.8120 7.8120 7.9528 7.9528 7.9528 7.9528 8.3769 8.3769 8.3769 8.3769 9.3675 9.3675 9.3675 9.3675 9.3847 9.3847 9.3847 9.3847 10.2275 10.2275 10.2275 10.2275 10.8404 10.8404 10.8404 10.8404 10.9252 10.9252 10.9252 10.9252 11.0245 11.0245 11.0245 11.0245 11.4444 11.4444 11.4444 11.4444 11.7163 11.7163 11.7163 11.7163 11.9269 11.9270 k = 0.0667 0.1155 0.7183 ( 14792 PWs) bands (ev): -3.9311 -3.9311 -3.9311 -3.9311 0.0179 0.0179 0.0179 0.0179 0.5066 0.5066 0.5066 0.5066 0.5137 0.5137 0.5137 0.5137 4.2851 4.2851 4.2851 4.2851 4.3614 4.3614 4.3614 4.3614 5.9410 5.9410 5.9410 5.9410 6.0173 6.0173 6.0173 6.0173 6.4045 6.4045 6.4045 6.4045 6.5955 6.5955 6.5955 6.5955 6.8889 6.8889 6.8889 6.8889 7.3445 7.3445 7.3445 7.3445 7.5286 7.5286 7.5286 7.5286 7.7837 7.7837 7.7837 7.7837 7.9309 7.9309 7.9309 7.9309 8.3259 8.3259 8.3259 8.3259 9.3655 9.3655 9.3655 9.3655 9.3830 9.3830 9.3830 9.3830 10.2226 10.2226 10.2226 10.2226 10.8614 10.8614 10.8614 10.8614 10.9308 10.9308 10.9308 10.9308 10.9924 10.9924 10.9924 10.9924 11.4906 11.4906 11.4906 11.4906 11.7109 11.7109 11.7109 11.7109 11.9563 11.9564 k = 0.0533 0.0924 0.7183 ( 14788 PWs) bands (ev): -3.9315 -3.9315 -3.9315 -3.9315 0.0141 0.0141 0.0141 0.0141 0.5124 0.5124 0.5124 0.5124 0.5176 0.5176 0.5176 0.5176 4.2793 4.2793 4.2793 4.2793 4.3408 4.3408 4.3408 4.3408 5.9492 5.9492 5.9492 5.9492 6.0144 6.0144 6.0144 6.0144 6.4418 6.4418 6.4418 6.4418 6.5755 6.5755 6.5755 6.5755 6.8693 6.8693 6.8693 6.8693 7.4163 7.4163 7.4163 7.4163 7.5552 7.5552 7.5552 7.5552 7.7630 7.7630 7.7630 7.7630 7.9134 7.9134 7.9134 7.9134 8.2716 8.2716 8.2716 8.2716 9.3639 9.3639 9.3639 9.3639 9.3818 9.3818 9.3818 9.3818 10.2174 10.2174 10.2174 10.2174 10.8772 10.8772 10.8772 10.8772 10.9339 10.9339 10.9339 10.9339 10.9672 10.9672 10.9672 10.9672 11.5414 11.5414 11.5414 11.5414 11.7085 11.7085 11.7085 11.7085 11.9778 11.9782 k = 0.0400 0.0693 0.7183 ( 14792 PWs) bands (ev): -3.9319 -3.9319 -3.9319 -3.9319 0.0111 0.0111 0.0111 0.0111 0.5168 0.5168 0.5168 0.5168 0.5209 0.5209 0.5209 0.5209 4.2735 4.2735 4.2735 4.2735 4.3260 4.3260 4.3260 4.3260 5.9560 5.9560 5.9560 5.9560 6.0117 6.0117 6.0117 6.0117 6.4750 6.4750 6.4750 6.4750 6.5602 6.5602 6.5602 6.5602 6.8492 6.8492 6.8492 6.8492 7.4763 7.4763 7.4763 7.4763 7.5770 7.5770 7.5770 7.5770 7.7524 7.7524 7.7524 7.7524 7.9034 7.9034 7.9034 7.9034 8.2153 8.2153 8.2153 8.2153 9.3627 9.3627 9.3627 9.3627 9.3809 9.3809 9.3809 9.3809 10.2127 10.2127 10.2127 10.2127 10.8872 10.8872 10.8872 10.8872 10.9294 10.9294 10.9294 10.9294 10.9553 10.9553 10.9553 10.9553 11.5945 11.5945 11.5945 11.5945 11.7085 11.7085 11.7085 11.7085 11.9843 11.9843 k = 0.0267 0.0462 0.7183 ( 14796 PWs) bands (ev): -3.9321 -3.9321 -3.9321 -3.9321 0.0090 0.0090 0.0090 0.0090 0.5198 0.5198 0.5198 0.5198 0.5234 0.5234 0.5234 0.5234 4.2680 4.2680 4.2680 4.2680 4.3166 4.3166 4.3166 4.3166 5.9612 5.9612 5.9612 5.9612 6.0093 6.0093 6.0093 6.0093 6.5008 6.5008 6.5008 6.5008 6.5511 6.5511 6.5511 6.5511 6.8310 6.8310 6.8310 6.8310 7.5217 7.5217 7.5217 7.5217 7.5890 7.5890 7.5890 7.5890 7.7516 7.7516 7.7516 7.7516 7.9055 7.9055 7.9055 7.9055 8.1601 8.1601 8.1601 8.1601 9.3619 9.3619 9.3619 9.3619 9.3802 9.3802 9.3802 9.3802 10.2090 10.2090 10.2090 10.2090 10.8909 10.8909 10.8909 10.8909 10.9204 10.9204 10.9204 10.9204 10.9552 10.9552 10.9552 10.9552 11.6459 11.6459 11.6459 11.6459 11.7100 11.7100 11.7100 11.7100 11.9650 11.9650 k = 0.0133 0.0231 0.7183 ( 14808 PWs) bands (ev): -3.9322 -3.9322 -3.9322 -3.9322 0.0077 0.0077 0.0077 0.0077 0.5215 0.5215 0.5215 0.5215 0.5250 0.5250 0.5250 0.5250 4.2641 4.2641 4.2641 4.2641 4.3117 4.3117 4.3117 4.3117 5.9646 5.9646 5.9646 5.9646 6.0076 6.0076 6.0076 6.0076 6.5145 6.5145 6.5145 6.5145 6.5495 6.5495 6.5495 6.5495 6.8179 6.8179 6.8179 6.8179 7.5530 7.5530 7.5530 7.5530 7.5895 7.5895 7.5895 7.5895 7.7547 7.7547 7.7547 7.7547 7.9194 7.9194 7.9194 7.9194 8.1135 8.1135 8.1135 8.1135 9.3614 9.3614 9.3614 9.3614 9.3799 9.3799 9.3799 9.3799 10.2067 10.2067 10.2067 10.2067 10.8898 10.8898 10.8898 10.8898 10.9162 10.9162 10.9162 10.9162 10.9570 10.9570 10.9570 10.9570 11.6870 11.6870 11.6870 11.6870 11.7128 11.7128 11.7128 11.7128 11.9338 11.9338 k = 0.0000 0.0000 0.7183 ( 14810 PWs) bands (ev): -3.9323 -3.9323 -3.9323 -3.9323 0.0073 0.0073 0.0073 0.0073 0.5221 0.5221 0.5221 0.5221 0.5256 0.5256 0.5256 0.5256 4.2626 4.2626 4.2626 4.2626 4.3101 4.3101 4.3101 4.3101 5.9658 5.9658 5.9658 5.9658 6.0070 6.0070 6.0070 6.0070 6.5176 6.5176 6.5176 6.5176 6.5510 6.5510 6.5510 6.5510 6.8130 6.8130 6.8130 6.8130 7.5676 7.5676 7.5676 7.5676 7.5847 7.5847 7.5847 7.5847 7.7562 7.7562 7.7562 7.7562 7.9295 7.9295 7.9295 7.9295 8.0929 8.0929 8.0929 8.0929 9.3612 9.3612 9.3612 9.3612 9.3798 9.3798 9.3798 9.3798 10.2059 10.2059 10.2059 10.2059 10.8886 10.8886 10.8886 10.8886 10.9153 10.9153 10.9153 10.9153 10.9578 10.9578 10.9578 10.9578 11.7015 11.7015 11.7015 11.7015 11.7171 11.7171 11.7171 11.7171 11.9183 11.9183 k = 0.5000 0.2887 0.7183 ( 14816 PWs) bands (ev): -3.9230 -3.9230 -3.9230 -3.9230 0.1412 0.1412 0.1412 0.1412 0.3333 0.3333 0.3333 0.3333 0.4488 0.4488 0.4488 0.4488 4.3608 4.3608 4.3608 4.3608 5.1890 5.1890 5.1890 5.1890 5.6902 5.6902 5.6902 5.6902 5.7702 5.7702 5.7702 5.7702 6.0225 6.0225 6.0225 6.0225 6.1945 6.1945 6.1945 6.1945 6.9392 6.9392 6.9392 6.9392 7.1485 7.1485 7.1485 7.1485 7.5208 7.5208 7.5208 7.5208 7.8056 7.8056 7.8056 7.8056 8.5183 8.5183 8.5183 8.5183 8.7241 8.7241 8.7241 8.7241 9.3751 9.3751 9.3751 9.3751 9.6011 9.6011 9.6011 9.6011 9.8153 9.8153 9.8153 9.8153 10.6109 10.6109 10.6109 10.6109 10.9103 10.9103 10.9103 10.9103 11.1007 11.1007 11.1007 11.1007 11.3165 11.3165 11.3165 11.3165 11.6695 11.6695 11.6695 11.6695 11.7026 11.7026 k = 0.5000 0.2887 0.6917 ( 14804 PWs) bands (ev): -3.9710 -3.9710 -3.8741 -3.8741 0.0872 0.0872 0.1958 0.1958 0.3000 0.3000 0.3609 0.3609 0.4276 0.4276 0.4748 0.4748 4.3312 4.3312 4.3930 4.3930 5.1623 5.1623 5.2142 5.2142 5.6270 5.6270 5.7151 5.7151 5.7383 5.7383 5.8037 5.8037 5.9761 5.9761 6.0868 6.0868 6.1760 6.1760 6.2369 6.2369 6.9377 6.9377 6.9424 6.9424 7.1420 7.1420 7.1560 7.1560 7.4913 7.4913 7.5503 7.5503 7.7548 7.7548 7.8569 7.8569 8.5121 8.5121 8.5181 8.5181 8.6944 8.6944 8.7464 8.7464 9.3623 9.3623 9.3882 9.3882 9.5914 9.5914 9.6190 9.6190 9.7758 9.7758 9.8569 9.8569 10.5492 10.5492 10.6693 10.6693 10.8308 10.8308 10.9879 10.9879 11.0713 11.0713 11.1263 11.1263 11.2553 11.2553 11.3756 11.3756 11.6202 11.6202 11.6829 11.6829 11.6920 11.6920 k = 0.5000 0.2887 0.6651 ( 14800 PWs) bands (ev): -4.0179 -4.0179 -3.8243 -3.8243 0.0338 0.0338 0.2505 0.2505 0.2652 0.2652 0.3659 0.3659 0.4280 0.4280 0.5014 0.5014 4.3045 4.3045 4.4275 4.4275 5.1349 5.1349 5.2366 5.2366 5.5319 5.5319 5.7016 5.7016 5.7154 5.7154 5.8415 5.8415 5.9643 5.9643 6.1148 6.1148 6.1884 6.1884 6.3178 6.3178 6.9378 6.9378 6.9469 6.9469 7.1366 7.1366 7.1645 7.1645 7.4626 7.4626 7.5767 7.5767 7.7084 7.7084 7.9070 7.9070 8.5002 8.5002 8.5106 8.5106 8.6600 8.6600 8.7591 8.7591 9.3496 9.3496 9.4019 9.4019 9.5926 9.5926 9.6420 9.6420 9.7388 9.7388 9.9003 9.9003 10.4881 10.4881 10.7065 10.7065 10.7658 10.7658 11.0237 11.0237 11.0718 11.0718 11.1447 11.1447 11.2016 11.2016 11.4308 11.4308 11.5671 11.5671 11.6786 11.6786 11.6850 11.6850 k = 0.5000 0.2887 0.6385 ( 14804 PWs) bands (ev): -4.0636 -4.0636 -3.7738 -3.7738 -0.0187 -0.0187 0.2296 0.2296 0.3055 0.3055 0.3458 0.3458 0.4525 0.4525 0.5279 0.5279 4.2810 4.2810 4.4640 4.4640 5.1071 5.1071 5.2529 5.2529 5.4202 5.4202 5.6712 5.6712 5.7010 5.7010 5.8804 5.8804 5.9694 5.9694 6.1155 6.1155 6.2155 6.2155 6.4312 6.4312 6.9398 6.9398 6.9526 6.9526 7.1324 7.1324 7.1739 7.1739 7.4350 7.4350 7.5858 7.5858 7.6815 7.6815 7.9551 7.9551 8.4835 8.4835 8.4957 8.4957 8.6230 8.6230 8.7611 8.7611 9.3368 9.3368 9.4160 9.4160 9.6062 9.6062 9.6651 9.6651 9.7069 9.7069 9.9452 9.9452 10.4295 10.4295 10.6568 10.6568 10.7701 10.7701 11.0072 11.0072 11.0711 11.0711 11.1598 11.1598 11.2034 11.2034 11.4798 11.4798 11.5210 11.5210 11.6704 11.6704 11.6755 11.6755 k = 0.5000 0.2887 0.6119 ( 14804 PWs) bands (ev): -4.1081 -4.1081 -3.7228 -3.7228 -0.0702 -0.0702 0.1941 0.1941 0.3190 0.3190 0.3604 0.3604 0.4826 0.4826 0.5536 0.5536 4.2609 4.2609 4.5020 4.5020 5.0792 5.0792 5.2395 5.2395 5.3252 5.3252 5.6455 5.6455 5.6858 5.6858 5.9182 5.9182 5.9723 5.9723 6.1231 6.1231 6.2414 6.2414 6.5567 6.5567 6.9433 6.9433 6.9595 6.9595 7.1297 7.1297 7.1843 7.1843 7.4084 7.4084 7.5585 7.5585 7.6939 7.6939 8.0003 8.0003 8.4627 8.4627 8.4733 8.4733 8.5855 8.5855 8.7528 8.7528 9.3236 9.3236 9.4302 9.4302 9.6320 9.6320 9.6623 9.6623 9.7043 9.7043 9.9913 9.9913 10.3748 10.3748 10.5829 10.5829 10.7644 10.7644 11.0006 11.0006 11.0250 11.0250 11.1669 11.1669 11.2594 11.2594 11.4794 11.4794 11.5330 11.5330 11.6582 11.6582 11.6663 11.6663 k = 0.5000 0.2887 0.5853 ( 14826 PWs) bands (ev): -4.1512 -4.1512 -3.6714 -3.6714 -0.1206 -0.1206 0.1586 0.1586 0.2908 0.2908 0.4148 0.4148 0.5131 0.5131 0.5785 0.5785 4.2443 4.2443 4.5410 4.5410 5.0515 5.0515 5.1408 5.1408 5.3076 5.3076 5.6270 5.6270 5.6728 5.6728 5.9536 5.9536 5.9650 5.9650 6.1435 6.1435 6.2672 6.2672 6.6838 6.6838 6.9482 6.9482 6.9673 6.9673 7.1289 7.1289 7.1955 7.1955 7.3829 7.3829 7.5140 7.5140 7.7274 7.7274 8.0419 8.0419 8.4379 8.4379 8.4451 8.4451 8.5484 8.5484 8.7360 8.7360 9.3099 9.3099 9.4436 9.4436 9.6346 9.6346 9.6700 9.6700 9.7276 9.7276 10.0381 10.0381 10.3251 10.3251 10.5099 10.5099 10.7247 10.7247 10.9343 10.9343 11.0538 11.0538 11.1702 11.1702 11.2956 11.2956 11.4800 11.4800 11.5739 11.5739 11.6411 11.6411 11.6604 11.6604 k = 0.5000 0.2887 0.5587 ( 14848 PWs) bands (ev): -4.1929 -4.1929 -3.6197 -3.6197 -0.1696 -0.1696 0.1236 0.1236 0.2622 0.2622 0.4688 0.4688 0.5428 0.5428 0.6024 0.6024 4.2314 4.2314 4.5805 4.5805 5.0156 5.0156 5.0260 5.0260 5.3092 5.3092 5.6169 5.6169 5.6636 5.6636 5.9489 5.9489 5.9867 5.9867 6.1701 6.1701 6.2962 6.2962 6.8062 6.8062 6.9537 6.9537 6.9763 6.9763 7.1312 7.1312 7.2073 7.2073 7.3583 7.3583 7.4674 7.4674 7.7682 7.7682 8.0794 8.0794 8.4062 8.4062 8.4162 8.4162 8.5121 8.5121 8.7141 8.7141 9.2956 9.2956 9.4540 9.4540 9.6101 9.6101 9.7123 9.7123 9.7540 9.7540 10.0847 10.0847 10.2816 10.2816 10.4402 10.4402 10.6651 10.6651 10.8594 10.8594 11.1000 11.1000 11.1732 11.1732 11.2858 11.2858 11.5309 11.5309 11.6086 11.6086 11.6215 11.6215 11.6593 11.6593 k = 0.5000 0.2887 0.5321 ( 14842 PWs) bands (ev): -4.2330 -4.2330 -3.5679 -3.5679 -0.2172 -0.2172 0.0892 0.0892 0.2338 0.2338 0.5219 0.5219 0.5713 0.5713 0.6251 0.6251 4.2219 4.2219 4.6192 4.6192 4.8934 4.8934 4.9979 4.9979 5.3083 5.3083 5.6153 5.6153 5.6590 5.6590 5.9293 5.9293 6.0160 6.0160 6.1942 6.1942 6.3316 6.3316 6.9157 6.9157 6.9594 6.9594 6.9878 6.9878 7.1392 7.1392 7.2190 7.2190 7.3339 7.3339 7.4243 7.4243 7.8126 7.8126 8.1121 8.1121 8.3676 8.3676 8.3885 8.3885 8.4771 8.4771 8.6912 8.6912 9.2808 9.2808 9.4584 9.4584 9.5915 9.5915 9.7452 9.7452 9.7929 9.7929 10.1298 10.1298 10.2452 10.2452 10.3749 10.3749 10.5961 10.5961 10.7855 10.7855 11.1415 11.1415 11.1811 11.1811 11.2531 11.2531 11.6013 11.6013 11.6091 11.6091 11.6287 11.6287 11.6704 11.6704 k = 0.5000 0.2887 0.5055 ( 14850 PWs) bands (ev): -4.2716 -4.2716 -3.5163 -3.5163 -0.2632 -0.2632 0.0555 0.0555 0.2056 0.2056 0.5741 0.5741 0.5984 0.5984 0.6465 0.6465 4.2155 4.2155 4.6517 4.6517 4.7789 4.7789 4.9719 4.9719 5.3033 5.3033 5.6211 5.6211 5.6594 5.6594 5.9083 5.9083 6.0416 6.0416 6.2108 6.2108 6.3751 6.3751 6.9628 6.9628 6.9811 6.9811 7.0231 7.0231 7.1608 7.1608 7.2290 7.2290 7.3086 7.3086 7.3902 7.3902 7.8586 7.8586 8.1396 8.1396 8.3249 8.3249 8.3611 8.3611 8.4437 8.4437 8.6719 8.6719 9.2654 9.2654 9.4533 9.4533 9.5818 9.5818 9.7595 9.7595 9.8488 9.8488 10.1707 10.1707 10.2171 10.2171 10.3155 10.3155 10.5229 10.5229 10.7163 10.7163 11.1622 11.1622 11.1941 11.1941 11.2242 11.2242 11.5852 11.5852 11.6337 11.6337 11.6909 11.6909 11.6974 11.6974 k = 0.5000 0.2887 0.4789 ( 14846 PWs) bands (ev): -4.3085 -4.3085 -3.4650 -3.4650 -0.3076 -0.3076 0.0227 0.0227 0.1781 0.1781 0.6233 0.6233 0.6257 0.6257 0.6666 0.6666 4.2110 4.2110 4.6249 4.6249 4.7288 4.7288 4.9466 4.9466 5.2955 5.2955 5.6321 5.6321 5.6653 5.6653 5.8878 5.8878 6.0635 6.0635 6.2189 6.2189 6.4251 6.4251 6.9666 6.9666 6.9938 6.9938 7.0685 7.0685 7.2080 7.2080 7.2347 7.2347 7.2829 7.2829 7.3713 7.3713 7.9041 7.9041 8.1614 8.1614 8.2792 8.2792 8.3347 8.3347 8.4128 8.4128 8.6618 8.6618 9.2495 9.2495 9.4385 9.4385 9.5801 9.5801 9.7620 9.7620 9.9113 9.9113 10.1951 10.1951 10.2047 10.2047 10.2645 10.2645 10.4490 10.4490 10.6572 10.6572 11.1616 11.1616 11.1751 11.1751 11.2368 11.2368 11.5772 11.5772 11.6351 11.6351 11.7128 11.7128 11.7858 11.7858 k = 0.5000 0.2887 0.4523 ( 14830 PWs) bands (ev): -4.3438 -4.3438 -3.4142 -3.4142 -0.3501 -0.3501 -0.0091 -0.0091 0.1512 0.1512 0.6475 0.6475 0.6746 0.6746 0.6854 0.6854 4.2059 4.2059 4.5281 4.5281 4.7567 4.7567 4.9223 4.9223 5.2864 5.2864 5.6462 5.6462 5.6764 5.6764 5.8690 5.8690 6.0815 6.0815 6.2193 6.2193 6.4793 6.4793 6.9677 6.9677 7.0002 7.0002 7.0845 7.0845 7.2329 7.2329 7.2416 7.2416 7.2894 7.2894 7.3704 7.3704 7.9466 7.9466 8.1758 8.1758 8.2328 8.2328 8.3103 8.3103 8.3847 8.3847 8.6666 8.6666 9.2334 9.2334 9.4171 9.4171 9.5819 9.5819 9.7551 9.7551 9.9743 9.9743 10.1849 10.1849 10.2055 10.2055 10.2368 10.2368 10.3777 10.3777 10.6159 10.6159 11.1229 11.1229 11.1847 11.1847 11.2445 11.2445 11.5817 11.5817 11.6368 11.6368 11.7259 11.7259 11.8761 11.8761 k = 0.5000 0.2887 0.4257 ( 14836 PWs) bands (ev): -4.3773 -4.3773 -3.3641 -3.3641 -0.3907 -0.3907 -0.0397 -0.0397 0.1252 0.1252 0.6693 0.6693 0.7027 0.7027 0.7225 0.7225 4.1933 4.1933 4.4376 4.4376 4.7938 4.7938 4.8989 4.8989 5.2775 5.2775 5.6618 5.6618 5.6921 5.6921 5.8534 5.8534 6.0958 6.0958 6.2127 6.2127 6.5353 6.5353 6.9649 6.9649 7.0044 7.0044 7.0837 7.0837 7.2231 7.2231 7.2289 7.2289 7.3458 7.3458 7.3847 7.3847 7.9835 7.9835 8.1651 8.1651 8.2041 8.2041 8.2889 8.2889 8.3597 8.3597 8.6916 8.6916 9.2172 9.2172 9.3923 9.3923 9.5825 9.5825 9.7397 9.7397 10.0325 10.0325 10.1701 10.1701 10.1830 10.1830 10.2293 10.2293 10.3161 10.3161 10.6010 10.6010 11.0834 11.0834 11.1971 11.1971 11.2371 11.2371 11.5982 11.5982 11.6403 11.6403 11.7289 11.7289 11.8918 11.8918 k = 0.5000 0.2887 0.3990 ( 14814 PWs) bands (ev): -4.4089 -4.4089 -3.3151 -3.3151 -0.4293 -0.4293 -0.0689 -0.0689 0.1002 0.1002 0.6893 0.6893 0.7187 0.7187 0.7684 0.7684 4.1589 4.1589 4.3761 4.3761 4.8313 4.8313 4.8766 4.8766 5.2699 5.2699 5.6777 5.6777 5.7110 5.7110 5.8427 5.8427 6.1069 6.1069 6.1998 6.1998 6.5912 6.5912 6.9555 6.9555 7.0077 7.0077 7.0732 7.0732 7.2131 7.2131 7.2183 7.2183 7.3914 7.3914 7.4100 7.4100 8.0138 8.0138 8.1188 8.1188 8.2059 8.2059 8.2713 8.2713 8.3379 8.3379 8.7391 8.7391 9.2009 9.2009 9.3660 9.3660 9.5790 9.5790 9.7173 9.7173 10.0758 10.0758 10.1465 10.1465 10.1605 10.1605 10.2116 10.2116 10.2830 10.2830 10.6145 10.6145 11.0453 11.0453 11.1984 11.1984 11.2314 11.2314 11.6205 11.6205 11.6472 11.6472 11.7206 11.7206 11.8735 11.8735 k = 0.5000 0.2887 0.3724 ( 14822 PWs) bands (ev): -4.4388 -4.4388 -3.2674 -3.2674 -0.4658 -0.4658 -0.0968 -0.0968 0.0763 0.0763 0.7075 0.7075 0.7333 0.7333 0.8123 0.8123 4.0943 4.0943 4.3533 4.3533 4.8552 4.8552 4.8684 4.8684 5.2643 5.2643 5.6920 5.6920 5.7322 5.7322 5.8388 5.8388 6.1149 6.1149 6.1811 6.1811 6.6455 6.6455 6.9365 6.9365 7.0109 7.0109 7.0600 7.0600 7.2063 7.2063 7.2108 7.2108 7.4222 7.4222 7.4386 7.4386 8.0367 8.0367 8.0693 8.0693 8.2106 8.2106 8.2577 8.2577 8.3192 8.3192 8.8081 8.8081 9.1850 9.1850 9.3393 9.3393 9.5696 9.5696 9.6893 9.6893 10.0795 10.0795 10.1174 10.1174 10.1320 10.1320 10.1992 10.1992 10.2956 10.2956 10.6496 10.6496 11.0091 11.0091 11.1724 11.1724 11.2491 11.2491 11.6362 11.6362 11.6631 11.6631 11.7031 11.7031 11.8605 11.8605 k = 0.5000 0.2887 0.3458 ( 14820 PWs) bands (ev): -4.4667 -4.4667 -3.2211 -3.2211 -0.5001 -0.5001 -0.1232 -0.1232 0.0537 0.0537 0.7237 0.7237 0.7465 0.7465 0.8539 0.8539 4.0124 4.0124 4.3571 4.3571 4.8353 4.8353 4.9033 4.9033 5.2612 5.2612 5.7022 5.7022 5.7564 5.7564 5.8432 5.8432 6.1195 6.1195 6.1576 6.1576 6.6968 6.6968 6.9073 6.9073 7.0145 7.0145 7.0495 7.0495 7.1967 7.1967 7.2102 7.2102 7.4376 7.4376 7.4674 7.4674 8.0114 8.0114 8.0648 8.0648 8.2170 8.2170 8.2478 8.2478 8.3035 8.3035 8.8944 8.8944 9.1694 9.1694 9.3130 9.3130 9.5542 9.5542 9.6574 9.6574 10.0320 10.0320 10.0718 10.0718 10.1265 10.1265 10.2111 10.2111 10.3341 10.3341 10.6982 10.6982 10.9753 10.9753 11.1385 11.1385 11.2751 11.2751 11.6342 11.6342 11.6838 11.6838 11.6902 11.6902 11.8529 11.8529 k = 0.5000 0.2887 0.3192 ( 14822 PWs) bands (ev): -4.4927 -4.4927 -3.1767 -3.1767 -0.5321 -0.5321 -0.1479 -0.1479 0.0323 0.0323 0.7382 0.7382 0.7584 0.7584 0.8930 0.8930 3.9262 3.9262 4.3744 4.3744 4.8167 4.8167 4.9364 4.9364 5.2606 5.2606 5.7078 5.7078 5.7840 5.7840 5.8554 5.8554 6.1154 6.1154 6.1359 6.1359 6.7435 6.7435 6.8706 6.8706 7.0179 7.0179 7.0430 7.0430 7.1877 7.1877 7.2108 7.2108 7.4344 7.4344 7.4988 7.4988 7.9624 7.9624 8.0827 8.0827 8.2283 8.2283 8.2413 8.2413 8.2908 8.2908 8.9922 8.9922 9.1550 9.1550 9.2873 9.2873 9.5334 9.5334 9.6231 9.6231 9.9721 9.9721 10.0164 10.0164 10.1329 10.1329 10.2335 10.2335 10.3797 10.3797 10.7548 10.7548 10.9438 10.9438 11.1040 11.1040 11.3054 11.3054 11.6061 11.6061 11.6873 11.6873 11.7127 11.7127 11.8504 11.8504 k = 0.5000 0.2887 0.2926 ( 14818 PWs) bands (ev): -4.5167 -4.5167 -3.1344 -3.1344 -0.5619 -0.5619 -0.1710 -0.1710 0.0123 0.0123 0.7509 0.7509 0.7689 0.7689 0.9295 0.9295 3.8417 3.8417 4.3994 4.3994 4.7993 4.7993 4.9669 4.9669 5.2626 5.2626 5.7108 5.7108 5.8148 5.8148 5.8733 5.8733 6.0877 6.0877 6.1316 6.1316 6.7842 6.7842 6.8293 6.8293 7.0187 7.0187 7.0418 7.0418 7.1799 7.1799 7.2111 7.2111 7.4172 7.4172 7.5303 7.5303 7.9158 7.9158 8.0976 8.0976 8.2356 8.2356 8.2493 8.2493 8.2816 8.2816 9.0915 9.0915 9.1461 9.1461 9.2628 9.2628 9.5089 9.5089 9.5876 9.5876 9.9132 9.9132 9.9584 9.9584 10.1474 10.1474 10.2582 10.2582 10.4229 10.4229 10.8159 10.8159 10.9153 10.9153 11.0725 11.0725 11.3390 11.3390 11.5618 11.5618 11.7013 11.7013 11.7346 11.7346 11.8529 11.8529 k = 0.5000 0.2887 0.2660 ( 14832 PWs) bands (ev): -4.5388 -4.5388 -3.0944 -3.0944 -0.5892 -0.5892 -0.1923 -0.1923 -0.0063 -0.0063 0.7619 0.7619 0.7783 0.7783 0.9632 0.9632 3.7615 3.7615 4.4293 4.4293 4.7835 4.7835 4.9946 4.9946 5.2671 5.2671 5.7135 5.7135 5.8475 5.8475 5.8949 5.8949 6.0509 6.0509 6.1316 6.1316 6.7851 6.7851 6.8182 6.8182 7.0144 7.0144 7.0465 7.0465 7.1731 7.1731 7.2109 7.2109 7.3904 7.3904 7.5599 7.5599 7.8732 7.8732 8.1079 8.1079 8.2346 8.2346 8.2672 8.2672 8.2859 8.2859 9.1186 9.1186 9.2098 9.2098 9.2408 9.2408 9.4821 9.4821 9.5521 9.5521 9.8593 9.8593 9.9016 9.9016 10.1683 10.1683 10.2831 10.2831 10.4585 10.4585 10.8714 10.8714 10.8979 10.8979 11.0464 11.0464 11.3752 11.3752 11.5105 11.5105 11.7211 11.7211 11.7540 11.7540 11.8600 11.8600 k = 0.5000 0.2887 0.2394 ( 14824 PWs) bands (ev): -4.5588 -4.5588 -3.0572 -3.0572 -0.6142 -0.6142 -0.2118 -0.2118 -0.0232 -0.0232 0.7714 0.7714 0.7865 0.7865 0.9941 0.9941 3.6869 3.6869 4.4625 4.4625 4.7692 4.7692 5.0191 5.0191 5.2737 5.2737 5.7178 5.7178 5.8805 5.8805 5.9190 5.9190 6.0114 6.0114 6.1316 6.1316 6.7401 6.7401 6.8440 6.8440 7.0058 7.0058 7.0548 7.0548 7.1660 7.1660 7.2112 7.2112 7.3585 7.3585 7.5866 7.5866 7.8355 7.8355 8.1146 8.1146 8.2358 8.2358 8.2662 8.2662 8.3201 8.3201 9.1075 9.1075 9.2169 9.2169 9.3096 9.3096 9.4547 9.4547 9.5175 9.5175 9.8134 9.8134 9.8495 9.8495 10.1941 10.1941 10.3071 10.3071 10.4839 10.4839 10.8598 10.8598 10.9512 10.9512 11.0276 11.0276 11.4132 11.4132 11.4560 11.4560 11.7447 11.7447 11.7714 11.7714 11.8714 11.8714 k = 0.5000 0.2887 0.2128 ( 14836 PWs) bands (ev): -4.5768 -4.5768 -3.0229 -3.0229 -0.6366 -0.6366 -0.2294 -0.2294 -0.0386 -0.0386 0.7794 0.7794 0.7935 0.7935 1.0219 1.0219 3.6186 3.6186 4.4977 4.4977 4.7567 4.7567 5.0402 5.0402 5.2820 5.2820 5.7242 5.7242 5.9105 5.9105 5.9409 5.9409 5.9769 5.9769 6.1313 6.1313 6.6945 6.6945 6.8623 6.8623 6.9939 6.9939 7.0641 7.0641 7.1565 7.1565 7.2132 7.2132 7.3261 7.3261 7.6097 7.6097 7.8032 7.8032 8.1188 8.1188 8.2385 8.2385 8.2662 8.2662 8.3622 8.3622 9.0953 9.0953 9.1971 9.1971 9.3909 9.3909 9.4288 9.4288 9.4845 9.4845 9.7744 9.7744 9.8134 9.8134 10.2233 10.2233 10.3292 10.3292 10.4980 10.4980 10.8383 10.8383 11.0067 11.0067 11.0265 11.0265 11.3974 11.3974 11.4555 11.4555 11.7699 11.7699 11.7887 11.7887 11.8867 11.8867 k = 0.5000 0.2887 0.1862 ( 14836 PWs) bands (ev): -4.5927 -4.5927 -2.9918 -2.9918 -0.6565 -0.6565 -0.2450 -0.2450 -0.0523 -0.0523 0.7861 0.7861 0.7996 0.7996 1.0466 1.0466 3.5573 3.5573 4.5336 4.5336 4.7461 4.7461 5.0578 5.0578 5.2917 5.2917 5.7331 5.7331 5.9142 5.9142 5.9398 5.9398 5.9915 5.9915 6.1308 6.1308 6.6489 6.6489 6.8734 6.8734 6.9798 6.9798 7.0728 7.0728 7.1428 7.1428 7.2169 7.2169 7.2980 7.2980 7.6291 7.6291 7.7762 7.7762 8.1215 8.1215 8.2408 8.2408 8.2710 8.2710 8.4072 8.4072 9.0837 9.0837 9.1790 9.1790 9.4004 9.4004 9.4449 9.4449 9.4540 9.4540 9.7326 9.7326 9.8166 9.8166 10.2547 10.2547 10.3486 10.3486 10.5022 10.5022 10.8185 10.8185 11.0050 11.0050 11.0879 11.0879 11.3407 11.3407 11.4975 11.4975 11.7912 11.7912 11.8106 11.8106 11.9052 11.9052 k = 0.5000 0.2887 0.1596 ( 14834 PWs) bands (ev): -4.6066 -4.6066 -2.9642 -2.9642 -0.6738 -0.6738 -0.2587 -0.2587 -0.0643 -0.0643 0.7916 0.7916 0.8047 0.8047 1.0682 1.0682 3.5034 3.5034 4.5687 4.5687 4.7378 4.7378 5.0721 5.0721 5.3020 5.3020 5.7440 5.7440 5.8744 5.8744 5.9600 5.9600 6.0283 6.0283 6.1306 6.1306 6.6037 6.6037 6.8776 6.8776 6.9651 6.9651 7.0799 7.0799 7.1243 7.1243 7.2193 7.2193 7.2796 7.2796 7.6448 7.6448 7.7544 7.7544 8.1233 8.1233 8.2419 8.2419 8.2809 8.2809 8.4525 8.4525 9.0729 9.0729 9.1630 9.1630 9.3776 9.3776 9.4263 9.4263 9.4577 9.4577 9.6908 9.6908 9.8621 9.8621 10.2866 10.2866 10.3644 10.3644 10.4994 10.4994 10.8010 10.8010 11.0001 11.0001 11.1531 11.1531 11.2850 11.2850 11.5414 11.5414 11.8067 11.8067 11.8372 11.8372 11.9263 11.9263 k = 0.5000 0.2887 0.1330 ( 14838 PWs) bands (ev): -4.6183 -4.6183 -2.9404 -2.9404 -0.6885 -0.6885 -0.2703 -0.2703 -0.0745 -0.0745 0.7961 0.7961 0.8088 0.8088 1.0865 1.0865 3.4572 3.4572 4.6010 4.6010 4.7325 4.7325 5.0832 5.0832 5.3123 5.3123 5.7561 5.7561 5.8339 5.8339 5.9780 5.9780 6.0677 6.0677 6.1316 6.1316 6.5591 6.5591 6.8746 6.8746 6.9524 6.9524 7.0841 7.0841 7.1038 7.1038 7.2162 7.2162 7.2743 7.2743 7.6573 7.6573 7.7370 7.7370 8.1248 8.1248 8.2421 8.2421 8.2939 8.2939 8.4963 8.4963 9.0631 9.0631 9.1491 9.1491 9.3569 9.3569 9.4022 9.4022 9.4449 9.4449 9.6532 9.6532 9.9330 9.9330 10.3167 10.3167 10.3761 10.3761 10.4933 10.4933 10.7862 10.7862 10.9946 10.9946 11.2150 11.2150 11.2325 11.2325 11.5868 11.5868 11.8200 11.8200 11.8620 11.8620 11.9488 11.9488 k = 0.5000 0.2887 0.1064 ( 14834 PWs) bands (ev): -4.6279 -4.6279 -2.9207 -2.9207 -0.7006 -0.7006 -0.2799 -0.2799 -0.0829 -0.0829 0.7995 0.7995 0.8122 0.8122 1.1016 1.1016 3.4191 3.4191 4.6282 4.6282 4.7309 4.7309 5.0915 5.0915 5.3221 5.3221 5.7681 5.7681 5.7968 5.7968 5.9933 5.9933 6.1025 6.1025 6.1385 6.1385 6.5155 6.5155 6.8649 6.8649 6.9438 6.9438 7.0741 7.0741 7.0954 7.0954 7.2094 7.2094 7.2782 7.2782 7.6671 7.6671 7.7235 7.7235 8.1261 8.1261 8.2420 8.2420 8.3077 8.3077 8.5366 8.5366 9.0547 9.0547 9.1376 9.1376 9.3394 9.3394 9.3819 9.3819 9.4216 9.4216 9.6210 9.6210 10.0120 10.0120 10.3394 10.3394 10.3861 10.3861 10.4874 10.4874 10.7741 10.7741 10.9871 10.9871 11.1834 11.1834 11.2730 11.2730 11.6332 11.6332 11.8320 11.8320 11.8796 11.8796 11.9709 11.9709 k = 0.5000 0.2887 0.0798 ( 14836 PWs) bands (ev): -4.6354 -4.6354 -2.9050 -2.9050 -0.7100 -0.7100 -0.2873 -0.2873 -0.0894 -0.0894 0.8021 0.8021 0.8147 0.8147 1.1133 1.1133 3.3891 3.3891 4.6477 4.6477 4.7341 4.7341 5.0975 5.0975 5.3306 5.3306 5.7631 5.7631 5.7811 5.7811 6.0055 6.0055 6.1173 6.1173 6.1652 6.1652 6.4734 6.4734 6.8516 6.8516 6.9393 6.9393 7.0546 7.0546 7.0976 7.0976 7.2028 7.2028 7.2849 7.2849 7.6749 7.6749 7.7129 7.7129 8.1274 8.1274 8.2418 8.2418 8.3205 8.3205 8.5713 8.5713 9.0478 9.0478 9.1285 9.1285 9.3254 9.3254 9.3654 9.3654 9.3973 9.3973 9.5952 9.5952 10.0889 10.0889 10.3450 10.3450 10.4011 10.4011 10.4840 10.4840 10.7648 10.7648 10.9779 10.9779 11.1418 11.1418 11.3227 11.3227 11.6801 11.6801 11.8424 11.8424 11.8856 11.8856 11.9900 11.9900 k = 0.5000 0.2887 0.0532 ( 14854 PWs) bands (ev): -4.6408 -4.6408 -2.8938 -2.8938 -0.7167 -0.7167 -0.2927 -0.2927 -0.0941 -0.0941 0.8039 0.8039 0.8165 0.8165 1.1217 1.1217 3.3676 3.3676 4.6590 4.6590 4.7407 4.7407 5.1013 5.1013 5.3372 5.3372 5.7390 5.7390 5.7895 5.7895 6.0144 6.0144 6.1201 6.1201 6.2015 6.2015 6.4343 6.4343 6.8386 6.8386 6.9372 6.9372 7.0383 7.0383 7.1000 7.1000 7.1977 7.1977 7.2910 7.2910 7.6812 7.6812 7.7047 7.7047 8.1285 8.1285 8.2416 8.2416 8.3309 8.3309 8.5983 8.5983 9.0426 9.0426 9.1220 9.1220 9.3152 9.3152 9.3528 9.3528 9.3773 9.3773 9.5763 9.5763 10.1579 10.1579 10.3331 10.3331 10.4195 10.4195 10.4827 10.4827 10.7582 10.7582 10.9684 10.9684 11.1092 11.1092 11.3620 11.3620 11.7262 11.7262 11.8503 11.8503 11.8776 11.8776 12.0006 12.0006 k = 0.5000 0.2887 0.0266 ( 14860 PWs) bands (ev): -4.6440 -4.6440 -2.8870 -2.8870 -0.7208 -0.7208 -0.2959 -0.2959 -0.0970 -0.0970 0.8050 0.8050 0.8175 0.8175 1.1267 1.1267 3.3547 3.3547 4.6641 4.6641 4.7471 4.7471 5.1035 5.1035 5.3414 5.3414 5.7234 5.7234 5.7953 5.7953 6.0200 6.0200 6.1208 6.1208 6.2329 6.2329 6.4025 6.4025 6.8294 6.8294 6.9364 6.9364 7.0278 7.0278 7.1015 7.1015 7.1946 7.1946 7.2951 7.2951 7.6866 7.6866 7.6982 7.6982 8.1292 8.1292 8.2415 8.2415 8.3376 8.3376 8.6156 8.6156 9.0394 9.0394 9.1181 9.1181 9.3090 9.3090 9.3444 9.3444 9.3648 9.3648 9.5648 9.5648 10.2149 10.2149 10.3102 10.3102 10.4336 10.4336 10.4823 10.4823 10.7543 10.7543 10.9612 10.9612 11.0883 11.0883 11.3874 11.3874 11.7685 11.7685 11.8538 11.8538 11.8592 11.8592 11.9982 11.9982 k = 0.5000 0.2887-0.0000 ( 14854 PWs) bands (ev): -4.6450 -4.6450 -2.8847 -2.8847 -0.7221 -0.7221 -0.2969 -0.2969 -0.0979 -0.0979 0.8053 0.8053 0.8179 0.8179 1.1284 1.1284 3.3504 3.3504 4.6655 4.6655 4.7497 4.7497 5.1042 5.1042 5.3428 5.3428 5.7181 5.7181 5.7973 5.7973 6.0218 6.0218 6.1209 6.1209 6.2467 6.2467 6.3888 6.3888 6.8261 6.8261 6.9362 6.9362 7.0242 7.0242 7.1020 7.1020 7.1936 7.1936 7.2965 7.2965 7.6906 7.6906 7.6938 7.6938 8.1295 8.1295 8.2414 8.2414 8.3399 8.3399 8.6215 8.6215 9.0383 9.0383 9.1167 9.1167 9.3069 9.3069 9.3413 9.3413 9.3607 9.3607 9.5609 9.5609 10.2463 10.2463 10.2902 10.2902 10.4389 10.4389 10.4821 10.4821 10.7530 10.7530 10.9585 10.9585 11.0811 11.0811 11.3963 11.3963 11.7929 11.7929 11.8397 11.8397 11.8578 11.8578 11.9949 11.9949 k = 0.3333 0.5774-0.0000 ( 14850 PWs) bands (ev): -4.6425 -4.6425 -2.8848 -2.8848 -0.5627 -0.5627 -0.5604 -0.5604 -0.0361 -0.0361 0.7369 0.7369 1.0260 1.0260 1.0292 1.0292 3.3294 3.3294 4.5712 4.5712 4.6483 4.6483 5.4714 5.4714 5.4908 5.4908 5.7394 5.7394 5.7937 5.7937 5.8969 5.8969 6.0309 6.0309 6.2234 6.2234 6.3351 6.3351 6.8526 6.8526 6.9136 6.9136 7.0003 7.0003 7.1119 7.1119 7.2479 7.2479 7.4852 7.4852 7.6269 7.6269 7.7414 7.7414 7.7941 7.7941 8.3449 8.3449 8.3655 8.3655 8.3892 8.3892 9.1195 9.1195 9.2588 9.2588 9.2603 9.2603 9.2861 9.2861 9.8449 9.8449 9.9304 9.9304 9.9368 9.9368 9.9686 9.9686 10.3294 10.3294 10.3862 10.3862 10.4693 10.4693 10.9151 10.9151 11.3711 11.3711 11.6069 11.6069 11.8622 11.8622 11.8839 11.8839 11.8866 11.8866 11.8926 11.9108 k = 0.3333 0.5774 0.0266 ( 14862 PWs) bands (ev): -4.6414 -4.6414 -2.8871 -2.8871 -0.5614 -0.5614 -0.5591 -0.5591 -0.0353 -0.0353 0.7366 0.7366 1.0248 1.0248 1.0280 1.0280 3.3338 3.3338 4.5696 4.5696 4.6463 4.6463 5.4723 5.4723 5.4918 5.4918 5.7384 5.7384 5.7895 5.7895 5.8992 5.8992 6.0307 6.0307 6.1976 6.1976 6.3609 6.3609 6.8531 6.8531 6.9138 6.9138 7.0011 7.0011 7.1159 7.1159 7.2520 7.2520 7.4841 7.4841 7.6267 7.6267 7.7402 7.7402 7.7926 7.7926 8.3435 8.3435 8.3638 8.3638 8.3871 8.3871 9.1205 9.1205 9.2607 9.2607 9.2627 9.2627 9.2884 9.2884 9.8461 9.8461 9.9297 9.9297 9.9380 9.9380 9.9675 9.9675 10.3177 10.3177 10.3884 10.3884 10.4704 10.4704 10.9172 10.9172 11.3743 11.3743 11.5954 11.5954 11.8654 11.8654 11.8768 11.8768 11.8816 11.8816 11.8934 11.8944 k = 0.3333 0.5774 0.0532 ( 14868 PWs) bands (ev): -4.6382 -4.6382 -2.8939 -2.8939 -0.5576 -0.5576 -0.5553 -0.5553 -0.0328 -0.0328 0.7360 0.7360 1.0215 1.0215 1.0247 1.0247 3.3471 3.3471 4.5651 4.5651 4.6407 4.6407 5.4750 5.4750 5.4948 5.4948 5.7351 5.7351 5.7779 5.7779 5.9052 5.9052 6.0302 6.0302 6.1482 6.1482 6.4101 6.4101 6.8548 6.8548 6.9144 6.9144 7.0032 7.0032 7.1277 7.1277 7.2644 7.2644 7.4807 7.4807 7.6261 7.6261 7.7369 7.7369 7.7883 7.7883 8.3395 8.3395 8.3587 8.3587 8.3807 8.3807 9.1236 9.1236 9.2667 9.2667 9.2698 9.2698 9.2952 9.2952 9.8497 9.8497 9.9276 9.9276 9.9412 9.9412 9.9648 9.9648 10.2840 10.2840 10.3948 10.3948 10.4737 10.4737 10.9227 10.9227 11.3835 11.3835 11.5657 11.5657 11.8521 11.8521 11.8524 11.8524 11.8732 11.8732 11.8978 11.8979 k = 0.3333 0.5774 0.0798 ( 14886 PWs) bands (ev): -4.6329 -4.6329 -2.9051 -2.9051 -0.5513 -0.5513 -0.5490 -0.5490 -0.0286 -0.0286 0.7350 0.7350 1.0159 1.0159 1.0191 1.0191 3.3690 3.3690 4.5578 4.5578 4.6316 4.6316 5.4796 5.4796 5.4998 5.4998 5.7292 5.7292 5.7603 5.7603 5.9135 5.9135 6.0300 6.0300 6.0943 6.0943 6.4633 6.4633 6.8574 6.8574 6.9158 6.9158 7.0066 7.0066 7.1465 7.1465 7.2847 7.2847 7.4754 7.4754 7.6249 7.6249 7.7312 7.7312 7.7812 7.7812 8.3330 8.3330 8.3506 8.3506 8.3704 8.3704 9.1287 9.1287 9.2765 9.2765 9.2813 9.2813 9.3059 9.3059 9.8553 9.8553 9.9243 9.9243 9.9443 9.9443 9.9628 9.9628 10.2315 10.2315 10.4052 10.4052 10.4796 10.4796 10.9298 10.9298 11.3970 11.3970 11.5266 11.5266 11.8118 11.8118 11.8143 11.8143 11.8621 11.8621 11.9090 11.9092 k = 0.3333 0.5774 0.1064 ( 14883 PWs) bands (ev): -4.6254 -4.6254 -2.9207 -2.9207 -0.5424 -0.5424 -0.5401 -0.5401 -0.0228 -0.0228 0.7334 0.7334 1.0080 1.0080 1.0112 1.0112 3.3996 3.3996 4.5481 4.5481 4.6195 4.6195 5.4861 5.4861 5.5068 5.5068 5.7201 5.7201 5.7382 5.7382 5.9227 5.9227 6.0304 6.0304 6.0403 6.0403 6.5156 6.5156 6.8608 6.8608 6.9182 6.9182 7.0111 7.0111 7.1714 7.1714 7.3127 7.3127 7.4687 7.4687 7.6234 7.6234 7.7231 7.7231 7.7716 7.7716 8.3243 8.3243 8.3400 8.3400 8.3567 8.3567 9.1357 9.1357 9.2901 9.2901 9.2964 9.2964 9.3198 9.3198 9.8620 9.8620 9.9202 9.9202 9.9418 9.9418 9.9677 9.9677 10.1648 10.1648 10.4193 10.4193 10.4880 10.4880 10.9364 10.9364 11.4114 11.4114 11.4856 11.4856 11.7603 11.7603 11.7648 11.7648 11.8474 11.8474 11.9246 11.9247 k = 0.3333 0.5774 0.1330 ( 14877 PWs) bands (ev): -4.6158 -4.6158 -2.9405 -2.9405 -0.5310 -0.5310 -0.5287 -0.5287 -0.0154 -0.0154 0.7313 0.7313 0.9979 0.9979 1.0010 1.0010 3.4386 3.4386 4.5365 4.5365 4.6051 4.6051 5.4944 5.4944 5.5156 5.5156 5.7074 5.7074 5.7122 5.7122 5.9314 5.9314 5.9885 5.9885 6.0321 6.0321 6.5648 6.5648 6.8648 6.8648 6.9219 6.9219 7.0164 7.0164 7.2007 7.2007 7.3477 7.3477 7.4616 7.4616 7.6215 7.6215 7.7127 7.7127 7.7598 7.7598 8.3136 8.3136 8.3276 8.3276 8.3403 8.3403 9.1446 9.1446 9.3073 9.3073 9.3144 9.3144 9.3359 9.3359 9.8667 9.8667 9.9166 9.9166 9.9339 9.9339 9.9799 9.9799 10.0905 10.0905 10.4368 10.4368 10.4990 10.4990 10.9406 10.9406 11.4113 11.4113 11.4589 11.4589 11.7027 11.7027 11.7090 11.7090 11.8321 11.8321 11.9436 11.9436 k = 0.3333 0.5774 0.1596 ( 14877 PWs) bands (ev): -4.6041 -4.6041 -2.9643 -2.9643 -0.5171 -0.5171 -0.5148 -0.5148 -0.0064 -0.0064 0.7286 0.7286 0.9854 0.9854 0.9884 0.9884 3.4859 3.4859 4.5235 4.5235 4.5891 4.5891 5.5045 5.5045 5.5259 5.5259 5.6831 5.6831 5.6909 5.6909 5.9275 5.9275 5.9515 5.9515 6.0355 6.0355 6.6089 6.6089 6.8692 6.8692 6.9269 6.9269 7.0222 7.0222 7.2321 7.2321 7.3890 7.3890 7.4560 7.4560 7.6192 7.6192 7.6997 7.6997 7.7463 7.7463 8.3011 8.3011 8.3142 8.3142 8.3219 8.3219 9.1552 9.1552 9.3278 9.3278 9.3341 9.3341 9.3530 9.3530 9.8604 9.8604 9.9144 9.9144 9.9238 9.9238 9.9971 9.9971 10.0209 10.0209 10.4573 10.4573 10.5124 10.5124 10.9409 10.9409 11.3772 11.3772 11.4653 11.4653 11.6426 11.6426 11.6507 11.6507 11.8195 11.8195 11.9651 11.9652 k = 0.3333 0.5774 0.1862 ( 14880 PWs) bands (ev): -4.5903 -4.5903 -2.9918 -2.9918 -0.5008 -0.5008 -0.4985 -0.4985 0.0042 0.0042 0.7253 0.7253 0.9705 0.9705 0.9734 0.9734 3.5413 3.5413 4.5098 4.5098 4.5721 4.5721 5.5161 5.5161 5.5369 5.5369 5.6513 5.6513 5.6713 5.6713 5.8851 5.8851 5.9555 5.9555 6.0405 6.0405 6.6462 6.6462 6.8738 6.8738 6.9330 6.9330 7.0281 7.0281 7.2625 7.2625 7.4359 7.4359 7.4547 7.4547 7.6168 7.6168 7.6843 7.6843 7.7319 7.7319 8.2868 8.2868 8.3008 8.3008 8.3025 8.3025 9.1675 9.1675 9.3514 9.3514 9.3545 9.3545 9.3696 9.3696 9.8243 9.8243 9.9078 9.9078 9.9128 9.9128 9.9848 9.9848 10.0188 10.0188 10.4805 10.4805 10.5281 10.5281 10.9363 10.9363 11.3341 11.3341 11.4779 11.4779 11.5827 11.5827 11.5930 11.5930 11.8134 11.8134 11.9883 11.9884 k = 0.3333 0.5774 0.2128 ( 14871 PWs) bands (ev): -4.5744 -4.5744 -3.0228 -3.0228 -0.4821 -0.4821 -0.4798 -0.4798 0.0163 0.0163 0.7212 0.7212 0.9532 0.9532 0.9561 0.9561 3.6044 3.6044 4.4959 4.4959 4.5551 4.5551 5.5281 5.5281 5.5462 5.5462 5.6182 5.6182 5.6510 5.6510 5.8407 5.8407 5.9645 5.9645 6.0472 6.0472 6.6752 6.6752 6.8782 6.8782 6.9398 6.9398 7.0337 7.0337 7.2876 7.2876 7.4611 7.4611 7.4871 7.4871 7.6145 7.6145 7.6669 7.6669 7.7176 7.7176 8.2701 8.2701 8.2831 8.2831 8.2881 8.2881 9.1815 9.1815 9.3742 9.3742 9.3771 9.3771 9.3844 9.3844 9.7529 9.7529 9.8964 9.8964 9.9015 9.9015 9.9921 9.9921 10.0452 10.0452 10.5061 10.5061 10.5461 10.5461 10.9260 10.9260 11.2905 11.2905 11.4843 11.4843 11.5251 11.5251 11.5391 11.5391 11.8176 11.8176 12.0117 12.0123 k = 0.3333 0.5774 0.2394 ( 14853 PWs) bands (ev): -4.5565 -4.5565 -3.0571 -3.0571 -0.4610 -0.4610 -0.4587 -0.4587 0.0299 0.0299 0.7163 0.7163 0.9334 0.9334 0.9363 0.9363 3.6750 3.6750 4.4826 4.4826 4.5386 4.5386 5.5356 5.5356 5.5479 5.5479 5.5886 5.5886 5.6364 5.6364 5.7995 5.7995 5.9736 5.9736 6.0553 6.0553 6.6944 6.6944 6.8824 6.8824 6.9465 6.9465 7.0386 7.0386 7.3043 7.3043 7.4768 7.4768 7.5397 7.5397 7.6127 7.6127 7.6494 7.6494 7.7055 7.7055 8.2508 8.2508 8.2647 8.2647 8.2770 8.2770 9.1972 9.1972 9.3918 9.3918 9.3926 9.3926 9.4070 9.4070 9.6685 9.6685 9.8867 9.8867 9.8904 9.8904 10.0187 10.0187 10.0766 10.0766 10.5338 10.5338 10.5663 10.5663 10.9102 10.9102 11.2483 11.2483 11.4707 11.4707 11.4714 11.4714 11.5013 11.5013 11.8351 11.8351 12.0333 12.0337 k = 0.3333 0.5774 0.2660 ( 14853 PWs) bands (ev): -4.5365 -4.5365 -3.0944 -3.0944 -0.4375 -0.4375 -0.4353 -0.4353 0.0449 0.0449 0.7104 0.7104 0.9112 0.9112 0.9140 0.9140 3.7527 3.7527 4.4703 4.4703 4.5234 4.5234 5.5202 5.5202 5.5332 5.5332 5.5813 5.5813 5.6363 5.6363 5.7622 5.7622 5.9825 5.9825 6.0643 6.0643 6.7028 6.7028 6.8860 6.8860 6.9522 6.9522 7.0425 7.0425 7.3131 7.3131 7.4974 7.4974 7.5791 7.5791 7.6116 7.6116 7.6454 7.6454 7.6992 7.6992 8.2284 8.2284 8.2483 8.2483 8.2684 8.2684 9.2143 9.2143 9.3941 9.3941 9.4062 9.4062 9.4370 9.4370 9.5866 9.5866 9.8783 9.8783 9.8800 9.8800 10.0551 10.0551 10.1132 10.1132 10.5635 10.5635 10.5886 10.5886 10.8893 10.8893 11.2081 11.2081 11.4230 11.4230 11.4309 11.4309 11.4864 11.4864 11.8664 11.8664 12.0500 12.0502 k = 0.3333 0.5774 0.2926 ( 14838 PWs) bands (ev): -4.5145 -4.5145 -3.1343 -3.1343 -0.4118 -0.4118 -0.4096 -0.4096 0.0613 0.0613 0.7036 0.7036 0.8866 0.8866 0.8893 0.8893 3.8374 3.8374 4.4597 4.4597 4.5099 4.5099 5.4838 5.4838 5.5039 5.5039 5.5937 5.5937 5.6496 5.6496 5.7295 5.7295 5.9911 5.9911 6.0739 6.0739 6.6998 6.6998 6.8891 6.8891 6.9567 6.9567 7.0453 7.0453 7.3166 7.3166 7.5141 7.5141 7.5733 7.5733 7.6094 7.6094 7.6861 7.6861 7.7051 7.7051 8.2030 8.2030 8.2349 8.2349 8.2630 8.2630 9.2330 9.2330 9.3798 9.3798 9.4160 9.4160 9.4684 9.4684 9.5193 9.5193 9.8704 9.8704 9.8706 9.8706 10.0989 10.0989 10.1554 10.1554 10.5950 10.5950 10.6128 10.6128 10.8642 10.8642 11.1705 11.1705 11.3810 11.3810 11.3915 11.3915 11.4704 11.4704 11.9099 11.9099 12.0565 12.0566 k = 0.3333 0.5774 0.3192 ( 14820 PWs) bands (ev): -4.4905 -4.4905 -3.1766 -3.1766 -0.3840 -0.3840 -0.3817 -0.3817 0.0789 0.0789 0.6957 0.6957 0.8595 0.8595 0.8621 0.8621 3.9285 3.9285 4.4511 4.4511 4.4989 4.4989 5.4413 5.4413 5.4664 5.4664 5.6102 5.6102 5.6700 5.6700 5.7030 5.7030 5.9993 5.9993 6.0839 6.0839 6.6851 6.6851 6.8916 6.8916 6.9599 6.9599 7.0472 7.0472 7.3161 7.3161 7.5203 7.5203 7.5468 7.5468 7.6026 7.6026 7.7284 7.7284 7.7462 7.7462 8.1756 8.1756 8.2258 8.2258 8.2613 8.2613 9.2531 9.2531 9.3419 9.3419 9.4205 9.4205 9.4772 9.4772 9.5007 9.5007 9.8616 9.8616 9.8631 9.8631 10.1493 10.1493 10.2032 10.2032 10.6282 10.6282 10.6387 10.6387 10.8366 10.8366 11.1359 11.1359 11.3463 11.3463 11.3583 11.3583 11.4500 11.4500 11.9629 11.9629 12.0486 12.0486 k = 0.3333 0.5774 0.3458 ( 14811 PWs) bands (ev): -4.4645 -4.4645 -3.2209 -3.2209 -0.3539 -0.3539 -0.3517 -0.3517 0.0978 0.0978 0.6866 0.6866 0.8300 0.8300 0.8326 0.8326 4.0258 4.0258 4.4452 4.4452 4.4906 4.4906 5.3962 5.3962 5.4242 5.4242 5.6238 5.6238 5.6862 5.6862 5.6943 5.6943 6.0069 6.0069 6.0938 6.0938 6.6592 6.6592 6.8933 6.8933 6.9625 6.9625 7.0489 7.0489 7.3112 7.3112 7.5142 7.5142 7.5146 7.5146 7.5898 7.5898 7.7658 7.7658 7.8102 7.8102 8.1487 8.1487 8.2220 8.2220 8.2640 8.2640 9.2733 9.2733 9.2898 9.2898 9.4195 9.4195 9.4539 9.4539 9.5328 9.5328 9.8533 9.8533 9.8553 9.8553 10.2057 10.2057 10.2566 10.2566 10.6629 10.6629 10.6660 10.6660 10.8083 10.8083 11.1049 11.1049 11.3196 11.3196 11.3326 11.3326 11.4261 11.4261 12.0219 12.0253 12.0286 12.0328 k = 0.3333 0.5774 0.3724 ( 14820 PWs) bands (ev): -4.4367 -4.4367 -3.2671 -3.2671 -0.3218 -0.3218 -0.3196 -0.3196 0.1178 0.1178 0.6764 0.6764 0.7981 0.7981 0.8007 0.8007 4.1288 4.1288 4.4421 4.4421 4.4855 4.4855 5.3494 5.3494 5.3790 5.3790 5.6259 5.6259 5.6871 5.6871 5.7210 5.7210 6.0138 6.0138 6.1034 6.1034 6.6234 6.6234 6.8945 6.8945 6.9647 6.9647 7.0509 7.0509 7.3005 7.3005 7.4782 7.4782 7.4972 7.4972 7.5718 7.5718 7.8104 7.8104 7.8747 7.8747 8.1269 8.1269 8.2246 8.2246 8.2714 8.2714 9.2328 9.2328 9.2984 9.2984 9.4131 9.4131 9.4363 9.4363 9.5643 9.5643 9.8447 9.8447 9.8464 9.8464 10.2675 10.2675 10.3154 10.3154 10.6929 10.6929 10.6991 10.6991 10.7828 10.7828 11.0780 11.0780 11.3014 11.3014 11.3151 11.3151 11.3996 11.3996 11.9976 11.9976 12.0389 12.0389 k = 0.3333 0.5774 0.3990 ( 14826 PWs) bands (ev): -4.4069 -4.4069 -3.3148 -3.3148 -0.2878 -0.2878 -0.2855 -0.2855 0.1389 0.1389 0.6649 0.6649 0.7640 0.7640 0.7665 0.7665 4.2371 4.2371 4.4422 4.4422 4.4838 4.4838 5.3014 5.3014 5.3317 5.3317 5.6185 5.6185 5.7035 5.7035 5.7495 5.7495 6.0200 6.0200 6.1125 6.1125 6.5794 6.5794 6.8953 6.8953 6.9668 6.9668 7.0536 7.0536 7.2829 7.2829 7.4397 7.4397 7.4660 7.4660 7.5495 7.5495 7.8573 7.8573 7.9381 7.9381 8.1153 8.1153 8.2340 8.2340 8.2838 8.2838 9.1827 9.1827 9.3223 9.3223 9.4022 9.4022 9.4188 9.4188 9.5944 9.5944 9.8349 9.8349 9.8357 9.8357 10.3340 10.3340 10.3791 10.3791 10.7119 10.7119 10.7368 10.7368 10.7693 10.7693 11.0558 11.0558 11.2918 11.2918 11.3056 11.3056 11.3708 11.3708 11.9615 11.9615 12.0041 12.0041 k = 0.3333 0.5774 0.4257 ( 14826 PWs) bands (ev): -4.3753 -4.3753 -3.3638 -3.3638 -0.2518 -0.2518 -0.2496 -0.2496 0.1609 0.1609 0.6522 0.6522 0.7277 0.7277 0.7302 0.7302 4.3503 4.3503 4.4459 4.4459 4.4858 4.4858 5.2527 5.2527 5.2828 5.2828 5.6106 5.6106 5.7260 5.7260 5.7794 5.7794 6.0252 6.0252 6.1207 6.1207 6.5293 6.5293 6.8959 6.8959 6.9684 6.9684 7.0569 7.0569 7.2561 7.2561 7.3994 7.3994 7.4196 7.4196 7.5249 7.5249 7.9041 7.9041 7.9988 7.9988 8.1172 8.1172 8.2502 8.2502 8.3012 8.3012 9.1376 9.1376 9.3473 9.3473 9.3881 9.3881 9.4007 9.4007 9.6222 9.6222 9.8223 9.8223 9.8229 9.8229 10.4046 10.4046 10.4474 10.4474 10.7082 10.7082 10.7762 10.7762 10.7844 10.7844 11.0389 11.0389 11.2909 11.2909 11.3036 11.3036 11.3406 11.3406 11.9208 11.9208 11.9646 11.9646 k = 0.3333 0.5774 0.4523 ( 14817 PWs) bands (ev): -4.3419 -4.3419 -3.4137 -3.4137 -0.2141 -0.2141 -0.2119 -0.2119 0.1838 0.1838 0.6381 0.6381 0.6894 0.6894 0.6918 0.6918 4.4512 4.4512 4.4696 4.4696 4.4915 4.4915 5.2038 5.2038 5.2328 5.2328 5.6058 5.6058 5.7507 5.7507 5.8101 5.8101 6.0293 6.0293 6.1279 6.1279 6.4750 6.4750 6.8965 6.8965 6.9696 6.9696 7.0602 7.0602 7.2161 7.2161 7.3578 7.3578 7.3631 7.3631 7.4997 7.4997 7.9499 7.9499 8.0559 8.0559 8.1324 8.1324 8.2727 8.2727 8.3234 8.3234 9.0966 9.0966 9.3706 9.3706 9.3722 9.3722 9.3848 9.3848 9.6471 9.6471 9.8056 9.8056 9.8077 9.8077 10.4781 10.4781 10.5195 10.5195 10.6951 10.6951 10.8167 10.8167 10.8174 10.8174 11.0281 11.0281 11.2981 11.2981 11.2990 11.2990 11.3186 11.3186 11.8764 11.8764 11.9210 11.9210 k = 0.3333 0.5774 0.4789 ( 14808 PWs) bands (ev): -4.3067 -4.3067 -3.4645 -3.4645 -0.1746 -0.1746 -0.1725 -0.1725 0.2075 0.2075 0.6228 0.6228 0.6492 0.6492 0.6516 0.6516 4.4631 4.4631 4.5011 4.5011 4.5894 4.5894 5.1553 5.1553 5.1821 5.1821 5.6052 5.6052 5.7761 5.7761 5.8414 5.8414 6.0320 6.0320 6.1338 6.1338 6.4184 6.4184 6.8975 6.8975 6.9699 6.9699 7.0587 7.0587 7.1589 7.1589 7.3095 7.3095 7.3155 7.3155 7.4742 7.4742 7.9948 7.9948 8.1085 8.1085 8.1585 8.1585 8.2997 8.2997 8.3495 8.3495 9.0580 9.0580 9.3563 9.3563 9.3618 9.3618 9.4028 9.4028 9.6681 9.6681 9.7851 9.7851 9.7886 9.7886 10.5529 10.5529 10.5945 10.5945 10.6859 10.6859 10.8549 10.8549 10.8607 10.8607 11.0239 11.0239 11.2682 11.2682 11.3123 11.3123 11.3274 11.3274 11.8289 11.8289 11.8741 11.8741 k = 0.3333 0.5774 0.5055 ( 14799 PWs) bands (ev): -4.2698 -4.2698 -3.5157 -3.5157 -0.1336 -0.1336 -0.1315 -0.1315 0.2318 0.2318 0.6057 0.6057 0.6073 0.6073 0.6101 0.6101 4.4775 4.4775 4.5146 4.5146 4.7122 4.7122 5.1087 5.1087 5.1311 5.1311 5.6091 5.6091 5.8014 5.8014 5.8730 5.8730 6.0329 6.0329 6.1381 6.1381 6.3610 6.3610 6.8993 6.8993 6.9671 6.9671 7.0240 7.0240 7.1122 7.1122 7.2669 7.2669 7.2731 7.2731 7.4484 7.4484 8.0391 8.0391 8.1565 8.1565 8.1923 8.1923 8.3291 8.3291 8.3777 8.3777 9.0199 9.0199 9.3423 9.3423 9.3466 9.3466 9.4302 9.4302 9.6846 9.6846 9.7607 9.7607 9.7652 9.7652 10.6234 10.6234 10.6717 10.6717 10.6886 10.6886 10.8962 10.8962 10.9063 10.9063 11.0271 11.0271 11.2318 11.2318 11.3320 11.3320 11.3451 11.3451 11.7790 11.7790 11.8247 11.8247 k = 0.3333 0.5774 0.5321 ( 14793 PWs) bands (ev): -4.2313 -4.2313 -3.5673 -3.5673 -0.0912 -0.0912 -0.0890 -0.0890 0.2566 0.2566 0.5639 0.5639 0.5660 0.5660 0.5885 0.5885 4.4955 4.4955 4.5318 4.5318 4.8318 4.8318 5.0689 5.0689 5.0801 5.0801 5.6176 5.6176 5.8260 5.8260 5.9043 5.9043 6.0318 6.0318 6.1406 6.1406 6.3047 6.3047 6.9023 6.9023 6.9128 6.9128 6.9810 6.9810 7.1060 7.1060 7.2311 7.2311 7.2338 7.2338 7.4224 7.4224 8.0826 8.0826 8.2003 8.2003 8.2314 8.2314 8.3584 8.3584 8.4058 8.4058 8.9809 8.9809 9.3322 9.3322 9.3351 9.3351 9.4585 9.4585 9.6954 9.6954 9.7330 9.7330 9.7374 9.7374 10.6628 10.6628 10.7302 10.7302 10.7499 10.7499 10.9392 10.9392 10.9545 10.9545 11.0385 11.0385 11.1938 11.1938 11.3549 11.3549 11.3661 11.3661 11.7275 11.7275 11.7736 11.7738 k = 0.3333 0.5774 0.5587 ( 14790 PWs) bands (ev): -4.1912 -4.1912 -3.6190 -3.6190 -0.0475 -0.0475 -0.0453 -0.0453 0.2818 0.2818 0.5191 0.5191 0.5213 0.5213 0.5695 0.5695 4.5170 4.5170 4.5529 4.5529 4.9197 4.9197 5.0294 5.0294 5.0642 5.0642 5.6305 5.6305 5.8489 5.8489 5.9351 5.9351 6.0278 6.0278 6.1409 6.1409 6.2512 6.2512 6.7949 6.7949 6.9070 6.9070 6.9794 6.9794 7.1091 7.1091 7.1902 7.1902 7.2086 7.2086 7.3965 7.3965 8.1251 8.1251 8.2407 8.2407 8.2736 8.2736 8.3856 8.3856 8.4309 8.4309 8.9397 8.9397 9.3278 9.3278 9.3295 9.3295 9.4871 9.4871 9.6914 9.6914 9.7052 9.7052 9.7110 9.7110 10.6787 10.6787 10.8024 10.8024 10.8278 10.8278 10.9814 10.9814 11.0055 11.0055 11.0590 11.0590 11.1562 11.1562 11.3778 11.3778 11.3866 11.3866 11.6753 11.6753 11.7227 11.7400 k = 0.3333 0.5774 0.5853 ( 14802 PWs) bands (ev): -4.1496 -4.1496 -3.6706 -3.6706 -0.0025 -0.0025 -0.0004 -0.0004 0.3073 0.3073 0.4732 0.4732 0.4753 0.4753 0.5493 0.5493 4.5419 4.5419 4.5776 4.5776 4.9192 4.9192 4.9793 4.9793 5.1505 5.1505 5.6474 5.6474 5.8692 5.8692 5.9649 5.9649 6.0204 6.0204 6.1389 6.1389 6.2029 6.2029 6.6648 6.6648 6.9137 6.9137 6.9821 6.9821 7.1087 7.1087 7.1507 7.1507 7.1933 7.1933 7.3708 7.3708 8.1661 8.1661 8.2783 8.2783 8.3153 8.3153 8.4110 8.4110 8.4504 8.4504 8.8956 8.8956 9.3307 9.3307 9.3313 9.3313 9.5156 9.5156 9.6597 9.6597 9.6692 9.6692 9.7079 9.7079 10.6967 10.6967 10.8784 10.8784 10.9043 10.9043 11.0150 11.0150 11.0590 11.0590 11.0900 11.0900 11.1253 11.1253 11.3964 11.3964 11.4021 11.4021 11.6233 11.6233 11.6685 11.6686 k = 0.3333 0.5774 0.6119 ( 14775 PWs) bands (ev): -4.1066 -4.1066 -3.7220 -3.7220 0.0434 0.0434 0.0455 0.0455 0.3330 0.3330 0.4263 0.4263 0.4285 0.4285 0.5281 0.5281 4.5701 4.5701 4.6057 4.6057 4.8822 4.8822 4.9302 4.9302 5.2751 5.2751 5.6677 5.6677 5.8852 5.8852 5.9934 5.9934 6.0088 6.0088 6.1343 6.1343 6.1622 6.1622 6.5308 6.5308 6.9229 6.9229 6.9870 6.9870 7.0995 7.0995 7.1132 7.1132 7.1913 7.1913 7.3456 7.3456 8.2054 8.2054 8.3138 8.3138 8.3493 8.3493 8.4393 8.4393 8.4623 8.4623 8.8485 8.8485 9.3414 9.3414 9.3418 9.3418 9.5438 9.5438 9.6213 9.6213 9.6300 9.6300 9.7036 9.7036 10.7204 10.7204 10.9530 10.9530 10.9778 10.9778 11.0191 11.0191 11.1143 11.1143 11.1198 11.1198 11.1333 11.1333 11.4059 11.4059 11.4068 11.4068 11.5713 11.5713 11.5952 11.5952 k = 0.3333 0.5774 0.6385 ( 14799 PWs) bands (ev): -4.0622 -4.0622 -3.7729 -3.7729 0.0902 0.0902 0.0923 0.0923 0.3586 0.3586 0.3788 0.3788 0.3810 0.3810 0.5059 0.5059 4.6014 4.6014 4.6372 4.6372 4.8392 4.8392 4.8824 4.8824 5.4057 5.4057 5.6902 5.6902 5.8945 5.8945 5.9935 5.9935 6.0202 6.0202 6.1268 6.1268 6.1316 6.1316 6.3979 6.3979 6.9351 6.9351 6.9941 6.9941 7.0782 7.0782 7.0832 7.0832 7.2000 7.2000 7.3210 7.3210 8.2427 8.2427 8.3470 8.3470 8.3666 8.3666 8.4659 8.4659 8.4779 8.4779 8.7985 8.7985 9.3598 9.3598 9.3614 9.3614 9.5700 9.5700 9.5817 9.5817 9.5884 9.5884 9.6949 9.6949 10.7496 10.7496 10.9896 10.9896 11.0247 11.0247 11.0472 11.0472 11.1489 11.1489 11.1687 11.1687 11.1811 11.1811 11.3971 11.3971 11.4037 11.4037 11.5105 11.5105 11.5367 11.5367 k = 0.3333 0.5774 0.6651 ( 14811 PWs) bands (ev): -4.0166 -4.0166 -3.8233 -3.8233 0.1376 0.1376 0.1398 0.1398 0.3307 0.3307 0.3328 0.3328 0.3843 0.3843 0.4828 0.4828 4.6356 4.6356 4.6717 4.6717 4.7956 4.7956 4.8360 4.8360 5.5328 5.5328 5.7121 5.7121 5.8956 5.8956 5.9755 5.9755 6.0448 6.0448 6.1122 6.1122 6.1164 6.1164 6.2739 6.2739 6.9504 6.9504 7.0036 7.0036 7.0460 7.0460 7.0646 7.0646 7.2147 7.2147 7.2972 7.2972 8.2772 8.2772 8.3668 8.3668 8.3779 8.3779 8.4610 8.4610 8.5265 8.5265 8.7458 8.7458 9.3859 9.3859 9.3887 9.3887 9.5378 9.5378 9.5455 9.5455 9.5980 9.5980 9.6819 9.6819 10.7838 10.7838 10.9491 10.9491 11.0917 11.0917 11.1112 11.1112 11.1892 11.1892 11.2144 11.2144 11.2281 11.2281 11.3780 11.3780 11.3950 11.3950 11.4424 11.4424 11.4905 11.4906 k = 0.3333 0.5774 0.6917 ( 14832 PWs) bands (ev): -3.9697 -3.9697 -3.8730 -3.8730 0.1856 0.1856 0.1877 0.1877 0.2824 0.2824 0.2845 0.2845 0.4096 0.4096 0.4590 0.4590 4.6725 4.6725 4.7091 4.7091 4.7529 4.7529 4.7916 4.7916 5.6440 5.6440 5.7264 5.7264 5.8951 5.8951 5.9497 5.9497 6.0669 6.0669 6.1029 6.1029 6.1056 6.1056 6.1745 6.1745 6.9690 6.9690 7.0155 7.0155 7.0169 7.0169 7.0464 7.0464 7.2327 7.2327 7.2744 7.2744 8.3083 8.3083 8.3550 8.3550 8.4057 8.4057 8.4485 8.4485 8.5802 8.5802 8.6913 8.6913 9.4184 9.4184 9.4224 9.4224 9.4960 9.4960 9.5025 9.5025 9.6226 9.6226 9.6652 9.6652 10.8220 10.8220 10.9060 10.9060 11.1524 11.1524 11.1679 11.1679 11.2194 11.2194 11.2331 11.2331 11.2671 11.2671 11.3724 11.3724 11.3769 11.3769 11.3993 11.3993 11.4453 11.4453 k = 0.3333 0.5774 0.7183 ( 14832 PWs) bands (ev): -3.9219 -3.9219 -3.9219 -3.9219 0.2339 0.2339 0.2339 0.2339 0.2360 0.2360 0.2360 0.2360 0.4346 0.4346 0.4346 0.4346 4.7117 4.7117 4.7117 4.7117 4.7492 4.7492 4.7492 4.7492 5.7130 5.7130 5.7130 5.7130 5.9135 5.9135 5.9135 5.9135 6.0864 6.0864 6.0864 6.0864 6.1201 6.1201 6.1201 6.1201 6.9912 6.9912 6.9912 6.9912 7.0299 7.0299 7.0299 7.0299 7.2528 7.2528 7.2528 7.2528 8.3347 8.3347 8.3347 8.3347 8.4297 8.4297 8.4297 8.4297 8.6357 8.6357 8.6357 8.6357 9.4556 9.4556 9.4556 9.4556 9.4610 9.4610 9.4610 9.4610 9.6452 9.6452 9.6452 9.6452 10.8631 10.8631 10.8631 10.8631 11.2013 11.2013 11.2013 11.2013 11.2128 11.2128 11.2128 11.2128 11.3163 11.3163 11.3163 11.3163 11.4014 11.4014 11.4014 11.4014 11.4310 11.4310 Writing output data file Zr5Sb3Se.save init_run : 0.38s CPU 0.54s WALL ( 1 calls) electrons : 2103.10s CPU 2115.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 2103.10s CPU 2115.47s 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 : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.16s WALL ( 210 calls) cegterg : 1993.69s CPU 2004.05s WALL ( 1067 calls) Called by sum_band: Called by *egterg: h_psi : 1002.79s CPU 1011.83s WALL ( 21353 calls) s_psi : 53.57s CPU 53.70s WALL ( 21353 calls) g_psi : 1.36s CPU 1.28s WALL ( 20076 calls) cdiaghg : 838.12s CPU 840.19s WALL ( 20286 calls) cegterg:over : 82.62s CPU 82.89s WALL ( 20076 calls) cegterg:upda : 57.63s CPU 57.69s WALL ( 20076 calls) cegterg:last : 26.26s CPU 26.27s WALL ( 2093 calls) cdiaghg:chol : 27.75s CPU 28.26s WALL ( 20286 calls) cdiaghg:inve : 22.74s CPU 22.40s WALL ( 20286 calls) cdiaghg:para : 53.53s CPU 53.75s WALL ( 40572 calls) Called by h_psi: h_psi:vloc : 867.62s CPU 876.05s WALL ( 21353 calls) h_psi:vnl : 133.62s CPU 134.19s WALL ( 21353 calls) add_vuspsi : 63.89s CPU 64.33s WALL ( 21353 calls) General routines calbec : 69.59s CPU 69.79s WALL ( 21353 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 847.67s CPU 855.48s WALL ( 2459868 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.30s CPU 1.20s WALL ( 420 calls) Parallel routines fft_scatter : 587.45s CPU 591.38s WALL ( 2459891 calls) PWSCF : 36m27.85s CPU 37m 0.54s WALL This run was terminated on: 10:11:32 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=