Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 8:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrP.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 18 5 1314 1314 207 Max 19 19 6 1335 1335 224 Sum 673 673 199 47603 47603 7733 bravais-lattice index = 14 lattice parameter (alat) = 6.9618 a.u. unit-cell volume = 995.7459 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.961751 celldm(2)= 1.000000 celldm(3)= 3.407709 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 3.407709 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.293452 ) 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) P 5.00 30.97380 P( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.7038545 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7038545 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.7038545 ) 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 ) ( -1.7038545 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7038545 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7038545 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7038545 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.7038545 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.7038545 ) 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 ) ( 1.7038545 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.7038545 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.7038545 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0031250 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0031250 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0031250 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0031250 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0031250 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0031250 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0031250 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0031250 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0031250 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0031250 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0031250 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0031250 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0031250 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0031250 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0031250 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0031250 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0031250 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0031250 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0031250 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0031250 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0031250 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0031250 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0031250 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0031250 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031250 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0031250 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0031250 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0031250 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0031250 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0031250 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0031250 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0031250 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0031250 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0031250 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0031250 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0031250 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0031250 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0031250 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0031250 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0031250 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0031250 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0031250 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0031250 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0031250 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0031250 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0031250 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0031250 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0031250 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0031250 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0031250 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0031250 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0031250 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0031250 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0031250 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0031250 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0031250 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0031250 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0031250 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0031250 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0031250 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0031250 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0031250 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0031250 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0031250 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0031250 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0031250 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0031250 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0031250 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0031250 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0031250 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0031250 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0031250 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0031250 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0031250 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0031250 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0031250 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 83) = ( 0.3274854 0.5672213 -0.0000000), wk = 0.0031250 k( 84) = ( 0.3216374 0.5570924 -0.0000000), wk = 0.0031250 k( 85) = ( 0.3157895 0.5469634 -0.0000000), wk = 0.0031250 k( 86) = ( 0.3099415 0.5368345 -0.0000000), wk = 0.0031250 k( 87) = ( 0.3040936 0.5267055 -0.0000000), wk = 0.0031250 k( 88) = ( 0.2982456 0.5165765 -0.0000000), wk = 0.0031250 k( 89) = ( 0.2923977 0.5064476 -0.0000000), wk = 0.0031250 k( 90) = ( 0.2865497 0.4963187 -0.0000000), wk = 0.0031250 k( 91) = ( 0.2807018 0.4861897 -0.0000000), wk = 0.0031250 k( 92) = ( 0.2748538 0.4760607 -0.0000000), wk = 0.0031250 k( 93) = ( 0.2690058 0.4659318 -0.0000000), wk = 0.0031250 k( 94) = ( 0.2631579 0.4558028 -0.0000000), wk = 0.0031250 k( 95) = ( 0.2573099 0.4456739 -0.0000000), wk = 0.0031250 k( 96) = ( 0.2514620 0.4355449 -0.0000000), wk = 0.0031250 k( 97) = ( 0.2456140 0.4254160 -0.0000000), wk = 0.0031250 k( 98) = ( 0.2397661 0.4152870 -0.0000000), wk = 0.0031250 k( 99) = ( 0.2339181 0.4051581 -0.0000000), wk = 0.0031250 k( 100) = ( 0.2280702 0.3950291 -0.0000000), wk = 0.0031250 k( 101) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0031250 k( 102) = ( 0.2163743 0.3747712 -0.0000000), wk = 0.0031250 k( 103) = ( 0.2105263 0.3646423 -0.0000000), wk = 0.0031250 k( 104) = ( 0.2046784 0.3545133 -0.0000000), wk = 0.0031250 k( 105) = ( 0.1988304 0.3443844 -0.0000000), wk = 0.0031250 k( 106) = ( 0.1929825 0.3342554 -0.0000000), wk = 0.0031250 k( 107) = ( 0.1871345 0.3241265 -0.0000000), wk = 0.0031250 k( 108) = ( 0.1812865 0.3139975 -0.0000000), wk = 0.0031250 k( 109) = ( 0.1754386 0.3038686 -0.0000000), wk = 0.0031250 k( 110) = ( 0.1695906 0.2937396 -0.0000000), wk = 0.0031250 k( 111) = ( 0.1637427 0.2836107 -0.0000000), wk = 0.0031250 k( 112) = ( 0.1578947 0.2734817 -0.0000000), wk = 0.0031250 k( 113) = ( 0.1520468 0.2633527 -0.0000000), wk = 0.0031250 k( 114) = ( 0.1461988 0.2532238 -0.0000000), wk = 0.0031250 k( 115) = ( 0.1403509 0.2430949 -0.0000000), wk = 0.0031250 k( 116) = ( 0.1345029 0.2329659 -0.0000000), wk = 0.0031250 k( 117) = ( 0.1286550 0.2228369 -0.0000000), wk = 0.0031250 k( 118) = ( 0.1228070 0.2127080 -0.0000000), wk = 0.0031250 k( 119) = ( 0.1169591 0.2025790 -0.0000000), wk = 0.0031250 k( 120) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0031250 k( 121) = ( 0.1052632 0.1823211 -0.0000000), wk = 0.0031250 k( 122) = ( 0.0994152 0.1721922 -0.0000000), wk = 0.0031250 k( 123) = ( 0.0935673 0.1620632 -0.0000000), wk = 0.0031250 k( 124) = ( 0.0877193 0.1519343 -0.0000000), wk = 0.0031250 k( 125) = ( 0.0818713 0.1418053 -0.0000000), wk = 0.0031250 k( 126) = ( 0.0760234 0.1316764 -0.0000000), wk = 0.0031250 k( 127) = ( 0.0701754 0.1215474 -0.0000000), wk = 0.0031250 k( 128) = ( 0.0643275 0.1114185 -0.0000000), wk = 0.0031250 k( 129) = ( 0.0584795 0.1012895 -0.0000000), wk = 0.0031250 k( 130) = ( 0.0526316 0.0911606 -0.0000000), wk = 0.0031250 k( 131) = ( 0.0467836 0.0810316 -0.0000000), wk = 0.0031250 k( 132) = ( 0.0409357 0.0709027 -0.0000000), wk = 0.0031250 k( 133) = ( 0.0350877 0.0607737 -0.0000000), wk = 0.0031250 k( 134) = ( 0.0292398 0.0506448 -0.0000000), wk = 0.0031250 k( 135) = ( 0.0233918 0.0405158 -0.0000000), wk = 0.0031250 k( 136) = ( 0.0175439 0.0303869 -0.0000000), wk = 0.0031250 k( 137) = ( 0.0116959 0.0202579 -0.0000000), wk = 0.0031250 k( 138) = ( 0.0058480 0.0101289 -0.0000000), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.0112866), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.0225733), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.0338599), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0451465), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0564331), wk = 0.0031250 k( 146) = ( 0.0000000 0.0000000 0.0677198), wk = 0.0031250 k( 147) = ( 0.0000000 0.0000000 0.0790064), wk = 0.0031250 k( 148) = ( 0.0000000 0.0000000 0.0902930), wk = 0.0031250 k( 149) = ( 0.0000000 0.0000000 0.1015796), wk = 0.0031250 k( 150) = ( 0.0000000 0.0000000 0.1128663), wk = 0.0031250 k( 151) = ( 0.0000000 0.0000000 0.1241529), wk = 0.0031250 k( 152) = ( 0.0000000 0.0000000 0.1354395), wk = 0.0031250 k( 153) = ( 0.0000000 0.0000000 0.1467261), wk = 0.0031250 k( 154) = ( 0.0000000 0.0000000 0.1467261), wk = 0.0031250 k( 155) = ( 0.0100000 0.0057735 0.1467261), wk = 0.0031250 k( 156) = ( 0.0200000 0.0115470 0.1467261), wk = 0.0031250 k( 157) = ( 0.0300000 0.0173205 0.1467261), wk = 0.0031250 k( 158) = ( 0.0400000 0.0230940 0.1467261), wk = 0.0031250 k( 159) = ( 0.0500000 0.0288675 0.1467261), wk = 0.0031250 k( 160) = ( 0.0600000 0.0346410 0.1467261), wk = 0.0031250 k( 161) = ( 0.0700000 0.0404145 0.1467261), wk = 0.0031250 k( 162) = ( 0.0800000 0.0461880 0.1467261), wk = 0.0031250 k( 163) = ( 0.0900000 0.0519615 0.1467261), wk = 0.0031250 k( 164) = ( 0.1000000 0.0577350 0.1467261), wk = 0.0031250 k( 165) = ( 0.1100000 0.0635085 0.1467261), wk = 0.0031250 k( 166) = ( 0.1200000 0.0692820 0.1467261), wk = 0.0031250 k( 167) = ( 0.1300000 0.0750555 0.1467261), wk = 0.0031250 k( 168) = ( 0.1400000 0.0808290 0.1467261), wk = 0.0031250 k( 169) = ( 0.1500000 0.0866025 0.1467261), wk = 0.0031250 k( 170) = ( 0.1600000 0.0923760 0.1467261), wk = 0.0031250 k( 171) = ( 0.1700000 0.0981495 0.1467261), wk = 0.0031250 k( 172) = ( 0.1800000 0.1039230 0.1467261), wk = 0.0031250 k( 173) = ( 0.1900000 0.1096966 0.1467261), wk = 0.0031250 k( 174) = ( 0.2000000 0.1154701 0.1467261), wk = 0.0031250 k( 175) = ( 0.2100000 0.1212436 0.1467261), wk = 0.0031250 k( 176) = ( 0.2200000 0.1270171 0.1467261), wk = 0.0031250 k( 177) = ( 0.2300000 0.1327906 0.1467261), wk = 0.0031250 k( 178) = ( 0.2400000 0.1385641 0.1467261), wk = 0.0031250 k( 179) = ( 0.2500000 0.1443376 0.1467261), wk = 0.0031250 k( 180) = ( 0.2600000 0.1501111 0.1467261), wk = 0.0031250 k( 181) = ( 0.2700000 0.1558846 0.1467261), wk = 0.0031250 k( 182) = ( 0.2800000 0.1616581 0.1467261), wk = 0.0031250 k( 183) = ( 0.2900000 0.1674316 0.1467261), wk = 0.0031250 k( 184) = ( 0.3000000 0.1732051 0.1467261), wk = 0.0031250 k( 185) = ( 0.3100000 0.1789786 0.1467261), wk = 0.0031250 k( 186) = ( 0.3200000 0.1847521 0.1467261), wk = 0.0031250 k( 187) = ( 0.3300000 0.1905256 0.1467261), wk = 0.0031250 k( 188) = ( 0.3400000 0.1962991 0.1467261), wk = 0.0031250 k( 189) = ( 0.3500000 0.2020726 0.1467261), wk = 0.0031250 k( 190) = ( 0.3600000 0.2078461 0.1467261), wk = 0.0031250 k( 191) = ( 0.3700000 0.2136196 0.1467261), wk = 0.0031250 k( 192) = ( 0.3800000 0.2193931 0.1467261), wk = 0.0031250 k( 193) = ( 0.3900000 0.2251666 0.1467261), wk = 0.0031250 k( 194) = ( 0.4000000 0.2309401 0.1467261), wk = 0.0031250 k( 195) = ( 0.4100000 0.2367136 0.1467261), wk = 0.0031250 k( 196) = ( 0.4200000 0.2424871 0.1467261), wk = 0.0031250 k( 197) = ( 0.4300000 0.2482606 0.1467261), wk = 0.0031250 k( 198) = ( 0.4400000 0.2540341 0.1467261), wk = 0.0031250 k( 199) = ( 0.4500000 0.2598076 0.1467261), wk = 0.0031250 k( 200) = ( 0.4600000 0.2655811 0.1467261), wk = 0.0031250 k( 201) = ( 0.4700000 0.2713546 0.1467261), wk = 0.0031250 k( 202) = ( 0.4800000 0.2771281 0.1467261), wk = 0.0031250 k( 203) = ( 0.4900000 0.2829016 0.1467261), wk = 0.0031250 k( 204) = ( 0.5000000 0.2886751 0.1467261), wk = 0.0031250 k( 205) = ( 0.5000000 0.2886751 0.1467261), wk = 0.0031250 k( 206) = ( 0.4942529 0.2986294 0.1467261), wk = 0.0031250 k( 207) = ( 0.4885058 0.3085838 0.1467261), wk = 0.0031250 k( 208) = ( 0.4827586 0.3185381 0.1467261), wk = 0.0031250 k( 209) = ( 0.4770115 0.3284924 0.1467261), wk = 0.0031250 k( 210) = ( 0.4712644 0.3384467 0.1467261), wk = 0.0031250 k( 211) = ( 0.4655172 0.3484010 0.1467261), wk = 0.0031250 k( 212) = ( 0.4597701 0.3583553 0.1467261), wk = 0.0031250 k( 213) = ( 0.4540230 0.3683097 0.1467261), wk = 0.0031250 k( 214) = ( 0.4482759 0.3782640 0.1467261), wk = 0.0031250 k( 215) = ( 0.4425287 0.3882183 0.1467261), wk = 0.0031250 k( 216) = ( 0.4367816 0.3981726 0.1467261), wk = 0.0031250 k( 217) = ( 0.4310345 0.4081269 0.1467261), wk = 0.0031250 k( 218) = ( 0.4252874 0.4180812 0.1467261), wk = 0.0031250 k( 219) = ( 0.4195402 0.4280355 0.1467261), wk = 0.0031250 k( 220) = ( 0.4137931 0.4379899 0.1467261), wk = 0.0031250 k( 221) = ( 0.4080460 0.4479442 0.1467261), wk = 0.0031250 k( 222) = ( 0.4022988 0.4578985 0.1467261), wk = 0.0031250 k( 223) = ( 0.3965517 0.4678528 0.1467261), wk = 0.0031250 k( 224) = ( 0.3908046 0.4778071 0.1467261), wk = 0.0031250 k( 225) = ( 0.3850575 0.4877614 0.1467261), wk = 0.0031250 k( 226) = ( 0.3793103 0.4977157 0.1467261), wk = 0.0031250 k( 227) = ( 0.3735632 0.5076701 0.1467261), wk = 0.0031250 k( 228) = ( 0.3678161 0.5176244 0.1467261), wk = 0.0031250 k( 229) = ( 0.3620690 0.5275787 0.1467261), wk = 0.0031250 k( 230) = ( 0.3563218 0.5375330 0.1467261), wk = 0.0031250 k( 231) = ( 0.3505747 0.5474873 0.1467261), wk = 0.0031250 k( 232) = ( 0.3448276 0.5574416 0.1467261), wk = 0.0031250 k( 233) = ( 0.3390805 0.5673960 0.1467261), wk = 0.0031250 k( 234) = ( 0.3333333 0.5773503 0.1467261), wk = 0.0031250 k( 235) = ( 0.3333333 0.5773503 0.1467261), wk = 0.0031250 k( 236) = ( 0.3274854 0.5672213 0.1467261), wk = 0.0031250 k( 237) = ( 0.3216374 0.5570924 0.1467261), wk = 0.0031250 k( 238) = ( 0.3157895 0.5469634 0.1467261), wk = 0.0031250 k( 239) = ( 0.3099415 0.5368345 0.1467261), wk = 0.0031250 k( 240) = ( 0.3040936 0.5267055 0.1467261), wk = 0.0031250 k( 241) = ( 0.2982456 0.5165765 0.1467261), wk = 0.0031250 k( 242) = ( 0.2923977 0.5064476 0.1467261), wk = 0.0031250 k( 243) = ( 0.2865497 0.4963187 0.1467261), wk = 0.0031250 k( 244) = ( 0.2807018 0.4861897 0.1467261), wk = 0.0031250 k( 245) = ( 0.2748538 0.4760607 0.1467261), wk = 0.0031250 k( 246) = ( 0.2690058 0.4659318 0.1467261), wk = 0.0031250 k( 247) = ( 0.2631579 0.4558028 0.1467261), wk = 0.0031250 k( 248) = ( 0.2573099 0.4456739 0.1467261), wk = 0.0031250 k( 249) = ( 0.2514620 0.4355449 0.1467261), wk = 0.0031250 k( 250) = ( 0.2456140 0.4254160 0.1467261), wk = 0.0031250 k( 251) = ( 0.2397661 0.4152870 0.1467261), wk = 0.0031250 k( 252) = ( 0.2339181 0.4051581 0.1467261), wk = 0.0031250 k( 253) = ( 0.2280702 0.3950291 0.1467261), wk = 0.0031250 k( 254) = ( 0.2222222 0.3849002 0.1467261), wk = 0.0031250 k( 255) = ( 0.2163743 0.3747712 0.1467261), wk = 0.0031250 k( 256) = ( 0.2105263 0.3646423 0.1467261), wk = 0.0031250 k( 257) = ( 0.2046784 0.3545133 0.1467261), wk = 0.0031250 k( 258) = ( 0.1988304 0.3443844 0.1467261), wk = 0.0031250 k( 259) = ( 0.1929825 0.3342554 0.1467261), wk = 0.0031250 k( 260) = ( 0.1871345 0.3241265 0.1467261), wk = 0.0031250 k( 261) = ( 0.1812865 0.3139975 0.1467261), wk = 0.0031250 k( 262) = ( 0.1754386 0.3038686 0.1467261), wk = 0.0031250 k( 263) = ( 0.1695906 0.2937396 0.1467261), wk = 0.0031250 k( 264) = ( 0.1637427 0.2836107 0.1467261), wk = 0.0031250 k( 265) = ( 0.1578947 0.2734817 0.1467261), wk = 0.0031250 k( 266) = ( 0.1520468 0.2633527 0.1467261), wk = 0.0031250 k( 267) = ( 0.1461988 0.2532238 0.1467261), wk = 0.0031250 k( 268) = ( 0.1403509 0.2430949 0.1467261), wk = 0.0031250 k( 269) = ( 0.1345029 0.2329659 0.1467261), wk = 0.0031250 k( 270) = ( 0.1286550 0.2228369 0.1467261), wk = 0.0031250 k( 271) = ( 0.1228070 0.2127080 0.1467261), wk = 0.0031250 k( 272) = ( 0.1169591 0.2025790 0.1467261), wk = 0.0031250 k( 273) = ( 0.1111111 0.1924501 0.1467261), wk = 0.0031250 k( 274) = ( 0.1052632 0.1823211 0.1467261), wk = 0.0031250 k( 275) = ( 0.0994152 0.1721922 0.1467261), wk = 0.0031250 k( 276) = ( 0.0935673 0.1620632 0.1467261), wk = 0.0031250 k( 277) = ( 0.0877193 0.1519343 0.1467261), wk = 0.0031250 k( 278) = ( 0.0818713 0.1418053 0.1467261), wk = 0.0031250 k( 279) = ( 0.0760234 0.1316764 0.1467261), wk = 0.0031250 k( 280) = ( 0.0701754 0.1215474 0.1467261), wk = 0.0031250 k( 281) = ( 0.0643275 0.1114185 0.1467261), wk = 0.0031250 k( 282) = ( 0.0584795 0.1012895 0.1467261), wk = 0.0031250 k( 283) = ( 0.0526316 0.0911606 0.1467261), wk = 0.0031250 k( 284) = ( 0.0467836 0.0810316 0.1467261), wk = 0.0031250 k( 285) = ( 0.0409357 0.0709027 0.1467261), wk = 0.0031250 k( 286) = ( 0.0350877 0.0607737 0.1467261), wk = 0.0031250 k( 287) = ( 0.0292398 0.0506448 0.1467261), wk = 0.0031250 k( 288) = ( 0.0233918 0.0405158 0.1467261), wk = 0.0031250 k( 289) = ( 0.0175439 0.0303869 0.1467261), wk = 0.0031250 k( 290) = ( 0.0116959 0.0202579 0.1467261), wk = 0.0031250 k( 291) = ( 0.0058480 0.0101289 0.1467261), wk = 0.0031250 k( 292) = ( 0.0000000 0.0000000 0.1467261), wk = 0.0031250 k( 293) = ( 0.5000000 0.2886751 0.1467261), wk = 0.0031250 k( 294) = ( 0.5000000 0.2886751 0.1354395), wk = 0.0031250 k( 295) = ( 0.5000000 0.2886751 0.1241529), wk = 0.0031250 k( 296) = ( 0.5000000 0.2886751 0.1128663), wk = 0.0031250 k( 297) = ( 0.5000000 0.2886751 0.1015796), wk = 0.0031250 k( 298) = ( 0.5000000 0.2886751 0.0902930), wk = 0.0031250 k( 299) = ( 0.5000000 0.2886751 0.0790064), wk = 0.0031250 k( 300) = ( 0.5000000 0.2886751 0.0677198), wk = 0.0031250 k( 301) = ( 0.5000000 0.2886751 0.0564331), wk = 0.0031250 k( 302) = ( 0.5000000 0.2886751 0.0451465), wk = 0.0031250 k( 303) = ( 0.5000000 0.2886751 0.0338599), wk = 0.0031250 k( 304) = ( 0.5000000 0.2886751 0.0225733), wk = 0.0031250 k( 305) = ( 0.5000000 0.2886751 0.0112866), wk = 0.0031250 k( 306) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031250 k( 307) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031250 k( 308) = ( 0.3333333 0.5773503 0.0112866), wk = 0.0031250 k( 309) = ( 0.3333333 0.5773503 0.0225733), wk = 0.0031250 k( 310) = ( 0.3333333 0.5773503 0.0338599), wk = 0.0031250 k( 311) = ( 0.3333333 0.5773503 0.0451465), wk = 0.0031250 k( 312) = ( 0.3333333 0.5773503 0.0564331), wk = 0.0031250 k( 313) = ( 0.3333333 0.5773503 0.0677198), wk = 0.0031250 k( 314) = ( 0.3333333 0.5773503 0.0790064), wk = 0.0031250 k( 315) = ( 0.3333333 0.5773503 0.0902930), wk = 0.0031250 k( 316) = ( 0.3333333 0.5773503 0.1015796), wk = 0.0031250 k( 317) = ( 0.3333333 0.5773503 0.1128663), wk = 0.0031250 k( 318) = ( 0.3333333 0.5773503 0.1241529), wk = 0.0031250 k( 319) = ( 0.3333333 0.5773503 0.1354395), wk = 0.0031250 k( 320) = ( 0.3333333 0.5773503 0.1467261), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0100000 -0.0000000 0.0000000), wk = 0.0031250 k( 3) = ( 0.0200000 -0.0000000 0.0000000), wk = 0.0031250 k( 4) = ( 0.0300000 -0.0000000 0.0000000), wk = 0.0031250 k( 5) = ( 0.0400000 -0.0000000 0.0000000), wk = 0.0031250 k( 6) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0031250 k( 7) = ( 0.0600000 -0.0000000 0.0000000), wk = 0.0031250 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0031250 k( 9) = ( 0.0800000 -0.0000000 0.0000000), wk = 0.0031250 k( 10) = ( 0.0900000 -0.0000000 0.0000000), wk = 0.0031250 k( 11) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0031250 k( 12) = ( 0.1100000 0.0000000 0.0000000), wk = 0.0031250 k( 13) = ( 0.1200000 -0.0000000 0.0000000), wk = 0.0031250 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0031250 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0031250 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0031250 k( 17) = ( 0.1600000 -0.0000000 0.0000000), wk = 0.0031250 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0031250 k( 19) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0031250 k( 20) = ( 0.1900000 -0.0000000 0.0000000), wk = 0.0031250 k( 21) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0031250 k( 22) = ( 0.2100000 -0.0000000 0.0000000), wk = 0.0031250 k( 23) = ( 0.2200000 0.0000000 0.0000000), wk = 0.0031250 k( 24) = ( 0.2300000 -0.0000000 0.0000000), wk = 0.0031250 k( 25) = ( 0.2400000 -0.0000000 0.0000000), wk = 0.0031250 k( 26) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0031250 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0031250 k( 28) = ( 0.2700000 -0.0000000 0.0000000), wk = 0.0031250 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0031250 k( 30) = ( 0.2900000 -0.0000000 0.0000000), wk = 0.0031250 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0031250 k( 32) = ( 0.3100000 0.0000000 0.0000000), wk = 0.0031250 k( 33) = ( 0.3200000 -0.0000000 0.0000000), wk = 0.0031250 k( 34) = ( 0.3300000 0.0000000 -0.0000000), wk = 0.0031250 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0031250 k( 36) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0031250 k( 37) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0031250 k( 38) = ( 0.3700000 -0.0000000 0.0000000), wk = 0.0031250 k( 39) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0031250 k( 40) = ( 0.3900000 -0.0000000 0.0000000), wk = 0.0031250 k( 41) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0031250 k( 42) = ( 0.4100000 -0.0000000 0.0000000), wk = 0.0031250 k( 43) = ( 0.4200000 -0.0000000 0.0000000), wk = 0.0031250 k( 44) = ( 0.4300000 -0.0000000 0.0000000), wk = 0.0031250 k( 45) = ( 0.4400000 0.0000000 0.0000000), wk = 0.0031250 k( 46) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0031250 k( 47) = ( 0.4600000 -0.0000000 0.0000000), wk = 0.0031250 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0031250 k( 49) = ( 0.4800000 -0.0000000 0.0000000), wk = 0.0031250 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0031250 k( 51) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031250 k( 52) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031250 k( 53) = ( 0.4942529 0.0114942 0.0000000), wk = 0.0031250 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0031250 k( 55) = ( 0.4827586 0.0344828 0.0000000), wk = 0.0031250 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0031250 k( 57) = ( 0.4712644 0.0574713 0.0000000), wk = 0.0031250 k( 58) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0031250 k( 59) = ( 0.4597701 0.0804598 0.0000000), wk = 0.0031250 k( 60) = ( 0.4540230 0.0919540 -0.0000000), wk = 0.0031250 k( 61) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0031250 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0031250 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0031250 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0031250 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0031250 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0031250 k( 67) = ( 0.4137931 0.1724138 0.0000000), wk = 0.0031250 k( 68) = ( 0.4080460 0.1839080 0.0000000), wk = 0.0031250 k( 69) = ( 0.4022988 0.1954023 0.0000000), wk = 0.0031250 k( 70) = ( 0.3965517 0.2068965 0.0000000), wk = 0.0031250 k( 71) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0031250 k( 72) = ( 0.3850575 0.2298851 0.0000000), wk = 0.0031250 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0031250 k( 74) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0031250 k( 75) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0031250 k( 76) = ( 0.3620690 0.2758621 0.0000000), wk = 0.0031250 k( 77) = ( 0.3563218 0.2873563 -0.0000000), wk = 0.0031250 k( 78) = ( 0.3505747 0.2988506 0.0000000), wk = 0.0031250 k( 79) = ( 0.3448276 0.3103448 -0.0000000), wk = 0.0031250 k( 80) = ( 0.3390805 0.3218391 0.0000000), wk = 0.0031250 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031250 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031250 k( 83) = ( 0.3274854 0.3274854 0.0000000), wk = 0.0031250 k( 84) = ( 0.3216374 0.3216374 -0.0000000), wk = 0.0031250 k( 85) = ( 0.3157895 0.3157895 0.0000000), wk = 0.0031250 k( 86) = ( 0.3099415 0.3099415 -0.0000000), wk = 0.0031250 k( 87) = ( 0.3040936 0.3040936 -0.0000000), wk = 0.0031250 k( 88) = ( 0.2982456 0.2982456 -0.0000000), wk = 0.0031250 k( 89) = ( 0.2923977 0.2923977 -0.0000000), wk = 0.0031250 k( 90) = ( 0.2865497 0.2865497 -0.0000000), wk = 0.0031250 k( 91) = ( 0.2807018 0.2807018 0.0000000), wk = 0.0031250 k( 92) = ( 0.2748538 0.2748538 0.0000000), wk = 0.0031250 k( 93) = ( 0.2690058 0.2690058 -0.0000000), wk = 0.0031250 k( 94) = ( 0.2631579 0.2631579 -0.0000000), wk = 0.0031250 k( 95) = ( 0.2573099 0.2573099 0.0000000), wk = 0.0031250 k( 96) = ( 0.2514620 0.2514620 0.0000000), wk = 0.0031250 k( 97) = ( 0.2456140 0.2456140 0.0000000), wk = 0.0031250 k( 98) = ( 0.2397661 0.2397661 0.0000000), wk = 0.0031250 k( 99) = ( 0.2339181 0.2339181 -0.0000000), wk = 0.0031250 k( 100) = ( 0.2280702 0.2280702 0.0000000), wk = 0.0031250 k( 101) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0031250 k( 102) = ( 0.2163743 0.2163743 -0.0000000), wk = 0.0031250 k( 103) = ( 0.2105263 0.2105263 0.0000000), wk = 0.0031250 k( 104) = ( 0.2046784 0.2046784 -0.0000000), wk = 0.0031250 k( 105) = ( 0.1988304 0.1988304 -0.0000000), wk = 0.0031250 k( 106) = ( 0.1929825 0.1929825 0.0000000), wk = 0.0031250 k( 107) = ( 0.1871345 0.1871345 -0.0000000), wk = 0.0031250 k( 108) = ( 0.1812865 0.1812865 0.0000000), wk = 0.0031250 k( 109) = ( 0.1754386 0.1754386 -0.0000000), wk = 0.0031250 k( 110) = ( 0.1695906 0.1695906 -0.0000000), wk = 0.0031250 k( 111) = ( 0.1637427 0.1637427 0.0000000), wk = 0.0031250 k( 112) = ( 0.1578947 0.1578947 -0.0000000), wk = 0.0031250 k( 113) = ( 0.1520468 0.1520468 0.0000000), wk = 0.0031250 k( 114) = ( 0.1461988 0.1461988 -0.0000000), wk = 0.0031250 k( 115) = ( 0.1403509 0.1403509 -0.0000000), wk = 0.0031250 k( 116) = ( 0.1345029 0.1345029 -0.0000000), wk = 0.0031250 k( 117) = ( 0.1286550 0.1286550 0.0000000), wk = 0.0031250 k( 118) = ( 0.1228070 0.1228070 0.0000000), wk = 0.0031250 k( 119) = ( 0.1169591 0.1169591 -0.0000000), wk = 0.0031250 k( 120) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0031250 k( 121) = ( 0.1052632 0.1052632 0.0000000), wk = 0.0031250 k( 122) = ( 0.0994152 0.0994152 -0.0000000), wk = 0.0031250 k( 123) = ( 0.0935673 0.0935673 -0.0000000), wk = 0.0031250 k( 124) = ( 0.0877193 0.0877193 -0.0000000), wk = 0.0031250 k( 125) = ( 0.0818713 0.0818713 0.0000000), wk = 0.0031250 k( 126) = ( 0.0760234 0.0760234 0.0000000), wk = 0.0031250 k( 127) = ( 0.0701754 0.0701754 -0.0000000), wk = 0.0031250 k( 128) = ( 0.0643275 0.0643275 -0.0000000), wk = 0.0031250 k( 129) = ( 0.0584795 0.0584795 -0.0000000), wk = 0.0031250 k( 130) = ( 0.0526316 0.0526316 0.0000000), wk = 0.0031250 k( 131) = ( 0.0467836 0.0467836 -0.0000000), wk = 0.0031250 k( 132) = ( 0.0409357 0.0409357 -0.0000000), wk = 0.0031250 k( 133) = ( 0.0350877 0.0350877 -0.0000000), wk = 0.0031250 k( 134) = ( 0.0292398 0.0292398 0.0000000), wk = 0.0031250 k( 135) = ( 0.0233918 0.0233918 -0.0000000), wk = 0.0031250 k( 136) = ( 0.0175439 0.0175439 -0.0000000), wk = 0.0031250 k( 137) = ( 0.0116959 0.0116959 0.0000000), wk = 0.0031250 k( 138) = ( 0.0058480 0.0058479 0.0000000), wk = 0.0031250 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 141) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0031250 k( 142) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0031250 k( 143) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0031250 k( 146) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0031250 k( 147) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0031250 k( 148) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0031250 k( 149) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0031250 k( 150) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0031250 k( 151) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0031250 k( 152) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0031250 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 155) = ( 0.0100000 -0.0000000 0.5000000), wk = 0.0031250 k( 156) = ( 0.0200000 -0.0000000 0.5000000), wk = 0.0031250 k( 157) = ( 0.0300000 -0.0000000 0.5000000), wk = 0.0031250 k( 158) = ( 0.0400000 -0.0000000 0.5000000), wk = 0.0031250 k( 159) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0031250 k( 160) = ( 0.0600000 -0.0000000 0.5000000), wk = 0.0031250 k( 161) = ( 0.0700000 -0.0000000 0.5000000), wk = 0.0031250 k( 162) = ( 0.0800000 -0.0000000 0.5000000), wk = 0.0031250 k( 163) = ( 0.0900000 -0.0000000 0.5000000), wk = 0.0031250 k( 164) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0031250 k( 165) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0031250 k( 166) = ( 0.1200000 -0.0000000 0.5000000), wk = 0.0031250 k( 167) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0031250 k( 168) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0031250 k( 169) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0031250 k( 170) = ( 0.1600000 -0.0000000 0.5000000), wk = 0.0031250 k( 171) = ( 0.1700000 -0.0000000 0.5000000), wk = 0.0031250 k( 172) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0031250 k( 173) = ( 0.1900000 -0.0000000 0.5000000), wk = 0.0031250 k( 174) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0031250 k( 175) = ( 0.2100000 -0.0000000 0.5000000), wk = 0.0031250 k( 176) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0031250 k( 177) = ( 0.2300000 -0.0000000 0.5000000), wk = 0.0031250 k( 178) = ( 0.2400000 -0.0000000 0.5000000), wk = 0.0031250 k( 179) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0031250 k( 180) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0031250 k( 181) = ( 0.2700000 -0.0000000 0.5000000), wk = 0.0031250 k( 182) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0031250 k( 183) = ( 0.2900000 -0.0000000 0.5000000), wk = 0.0031250 k( 184) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0031250 k( 185) = ( 0.3100000 0.0000000 0.5000000), wk = 0.0031250 k( 186) = ( 0.3200000 -0.0000000 0.5000000), wk = 0.0031250 k( 187) = ( 0.3300000 0.0000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0031250 k( 190) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0031250 k( 191) = ( 0.3700000 -0.0000000 0.5000000), wk = 0.0031250 k( 192) = ( 0.3800000 -0.0000000 0.5000000), wk = 0.0031250 k( 193) = ( 0.3900000 -0.0000000 0.5000000), wk = 0.0031250 k( 194) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0031250 k( 195) = ( 0.4100000 -0.0000000 0.5000000), wk = 0.0031250 k( 196) = ( 0.4200000 -0.0000000 0.5000000), wk = 0.0031250 k( 197) = ( 0.4300000 -0.0000000 0.5000000), wk = 0.0031250 k( 198) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0031250 k( 199) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0031250 k( 200) = ( 0.4600000 -0.0000000 0.5000000), wk = 0.0031250 k( 201) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0031250 k( 202) = ( 0.4800000 -0.0000000 0.5000000), wk = 0.0031250 k( 203) = ( 0.4900000 -0.0000000 0.5000000), wk = 0.0031250 k( 204) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031250 k( 205) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031250 k( 206) = ( 0.4942529 0.0114942 0.5000000), wk = 0.0031250 k( 207) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0031250 k( 208) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0031250 k( 209) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0031250 k( 210) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0031250 k( 211) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0031250 k( 212) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0031250 k( 213) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0031250 k( 214) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0031250 k( 215) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0031250 k( 216) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0031250 k( 217) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0031250 k( 218) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0031250 k( 219) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0031250 k( 220) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0031250 k( 221) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0031250 k( 222) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0031250 k( 223) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0031250 k( 224) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0031250 k( 225) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0031250 k( 226) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0031250 k( 227) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0031250 k( 228) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0031250 k( 229) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0031250 k( 230) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0031250 k( 231) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0031250 k( 232) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0031250 k( 233) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0031250 k( 234) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 k( 236) = ( 0.3274854 0.3274854 0.5000000), wk = 0.0031250 k( 237) = ( 0.3216374 0.3216374 0.5000000), wk = 0.0031250 k( 238) = ( 0.3157895 0.3157895 0.5000000), wk = 0.0031250 k( 239) = ( 0.3099415 0.3099415 0.5000000), wk = 0.0031250 k( 240) = ( 0.3040936 0.3040936 0.5000000), wk = 0.0031250 k( 241) = ( 0.2982456 0.2982456 0.5000000), wk = 0.0031250 k( 242) = ( 0.2923977 0.2923977 0.5000000), wk = 0.0031250 k( 243) = ( 0.2865497 0.2865497 0.5000000), wk = 0.0031250 k( 244) = ( 0.2807018 0.2807018 0.5000000), wk = 0.0031250 k( 245) = ( 0.2748538 0.2748538 0.5000000), wk = 0.0031250 k( 246) = ( 0.2690058 0.2690058 0.5000000), wk = 0.0031250 k( 247) = ( 0.2631579 0.2631579 0.5000000), wk = 0.0031250 k( 248) = ( 0.2573099 0.2573099 0.5000000), wk = 0.0031250 k( 249) = ( 0.2514620 0.2514620 0.5000000), wk = 0.0031250 k( 250) = ( 0.2456140 0.2456140 0.5000000), wk = 0.0031250 k( 251) = ( 0.2397661 0.2397661 0.5000000), wk = 0.0031250 k( 252) = ( 0.2339181 0.2339181 0.5000000), wk = 0.0031250 k( 253) = ( 0.2280702 0.2280702 0.5000000), wk = 0.0031250 k( 254) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0031250 k( 255) = ( 0.2163743 0.2163743 0.5000000), wk = 0.0031250 k( 256) = ( 0.2105263 0.2105263 0.5000000), wk = 0.0031250 k( 257) = ( 0.2046784 0.2046784 0.5000000), wk = 0.0031250 k( 258) = ( 0.1988304 0.1988304 0.5000000), wk = 0.0031250 k( 259) = ( 0.1929825 0.1929825 0.5000000), wk = 0.0031250 k( 260) = ( 0.1871345 0.1871345 0.5000000), wk = 0.0031250 k( 261) = ( 0.1812865 0.1812865 0.5000000), wk = 0.0031250 k( 262) = ( 0.1754386 0.1754386 0.5000000), wk = 0.0031250 k( 263) = ( 0.1695906 0.1695906 0.5000000), wk = 0.0031250 k( 264) = ( 0.1637427 0.1637427 0.5000000), wk = 0.0031250 k( 265) = ( 0.1578947 0.1578947 0.5000000), wk = 0.0031250 k( 266) = ( 0.1520468 0.1520468 0.5000000), wk = 0.0031250 k( 267) = ( 0.1461988 0.1461988 0.5000000), wk = 0.0031250 k( 268) = ( 0.1403509 0.1403509 0.5000000), wk = 0.0031250 k( 269) = ( 0.1345029 0.1345029 0.5000000), wk = 0.0031250 k( 270) = ( 0.1286550 0.1286550 0.5000000), wk = 0.0031250 k( 271) = ( 0.1228070 0.1228070 0.5000000), wk = 0.0031250 k( 272) = ( 0.1169591 0.1169591 0.5000000), wk = 0.0031250 k( 273) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0031250 k( 274) = ( 0.1052632 0.1052632 0.5000000), wk = 0.0031250 k( 275) = ( 0.0994152 0.0994152 0.5000000), wk = 0.0031250 k( 276) = ( 0.0935673 0.0935673 0.5000000), wk = 0.0031250 k( 277) = ( 0.0877193 0.0877193 0.5000000), wk = 0.0031250 k( 278) = ( 0.0818713 0.0818713 0.5000000), wk = 0.0031250 k( 279) = ( 0.0760234 0.0760234 0.5000000), wk = 0.0031250 k( 280) = ( 0.0701754 0.0701754 0.5000000), wk = 0.0031250 k( 281) = ( 0.0643275 0.0643275 0.5000000), wk = 0.0031250 k( 282) = ( 0.0584795 0.0584795 0.5000000), wk = 0.0031250 k( 283) = ( 0.0526316 0.0526316 0.5000000), wk = 0.0031250 k( 284) = ( 0.0467836 0.0467836 0.5000000), wk = 0.0031250 k( 285) = ( 0.0409357 0.0409357 0.5000000), wk = 0.0031250 k( 286) = ( 0.0350877 0.0350877 0.5000000), wk = 0.0031250 k( 287) = ( 0.0292398 0.0292398 0.5000000), wk = 0.0031250 k( 288) = ( 0.0233918 0.0233918 0.5000000), wk = 0.0031250 k( 289) = ( 0.0175439 0.0175439 0.5000000), wk = 0.0031250 k( 290) = ( 0.0116959 0.0116959 0.5000000), wk = 0.0031250 k( 291) = ( 0.0058480 0.0058479 0.5000000), wk = 0.0031250 k( 292) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031250 k( 293) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0031250 k( 294) = ( 0.5000000 -0.0000000 0.4615385), wk = 0.0031250 k( 295) = ( 0.5000000 -0.0000000 0.4230769), wk = 0.0031250 k( 296) = ( 0.5000000 -0.0000000 0.3846154), wk = 0.0031250 k( 297) = ( 0.5000000 -0.0000000 0.3461538), wk = 0.0031250 k( 298) = ( 0.5000000 -0.0000000 0.3076923), wk = 0.0031250 k( 299) = ( 0.5000000 -0.0000000 0.2692308), wk = 0.0031250 k( 300) = ( 0.5000000 -0.0000000 0.2307692), wk = 0.0031250 k( 301) = ( 0.5000000 -0.0000000 0.1923077), wk = 0.0031250 k( 302) = ( 0.5000000 -0.0000000 0.1538461), wk = 0.0031250 k( 303) = ( 0.5000000 -0.0000000 0.1153846), wk = 0.0031250 k( 304) = ( 0.5000000 -0.0000000 0.0769231), wk = 0.0031250 k( 305) = ( 0.5000000 -0.0000000 0.0384615), wk = 0.0031250 k( 306) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0031250 k( 307) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031250 k( 308) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0031250 k( 309) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0031250 k( 310) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0031250 k( 311) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0031250 k( 312) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0031250 k( 313) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0031250 k( 314) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0031250 k( 315) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0031250 k( 316) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0031250 k( 317) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0031250 k( 318) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0031250 k( 319) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0031250 k( 320) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031250 Dense grid: 47603 G-vectors FFT dimensions: ( 32, 32, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 344, 44) NL pseudopotentials 0.52 Mb ( 172, 200) Each V/rho on FFT grid 0.05 Mb ( 3072) Each G-vector array 0.01 Mb ( 1327) G-vector shells 0.01 Mb ( 673) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 344, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.27 Mb ( 200, 2, 44) The potential is recalculated from file : ./ZrP.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.7 secs Computing kpt #: 8 total cpu time spent up to now is 8.7 secs Computing kpt #: 9 total cpu time spent up to now is 9.6 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.3 secs Computing kpt #: 12 total cpu time spent up to now is 12.1 secs Computing kpt #: 13 total cpu time spent up to now is 13.0 secs Computing kpt #: 14 total cpu time spent up to now is 13.9 secs Computing kpt #: 15 total cpu time spent up to now is 14.8 secs Computing kpt #: 16 total cpu time spent up to now is 15.8 secs Computing kpt #: 17 total cpu time spent up to now is 16.6 secs Computing kpt #: 18 total cpu time spent up to now is 17.4 secs Computing kpt #: 19 total cpu time spent up to now is 18.2 secs Computing kpt #: 20 total cpu time spent up to now is 18.9 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.3 secs Computing kpt #: 23 total cpu time spent up to now is 20.9 secs Computing kpt #: 24 total cpu time spent up to now is 21.6 secs Computing kpt #: 25 total cpu time spent up to now is 22.3 secs Computing kpt #: 26 total cpu time spent up to now is 22.9 secs Computing kpt #: 27 total cpu time spent up to now is 23.7 secs Computing kpt #: 28 total cpu time spent up to now is 24.4 secs Computing kpt #: 29 total cpu time spent up to now is 25.2 secs Computing kpt #: 30 total cpu time spent up to now is 26.3 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 27.7 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.1 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.5 secs Computing kpt #: 34 total cpu time spent up to now is 31.9 secs Computing kpt #: 35 total cpu time spent up to now is 33.2 secs Computing kpt #: 36 total cpu time spent up to now is 34.6 secs Computing kpt #: 37 total cpu time spent up to now is 35.4 secs Computing kpt #: 38 total cpu time spent up to now is 36.2 secs Computing kpt #: 39 total cpu time spent up to now is 36.9 secs Computing kpt #: 40 total cpu time spent up to now is 37.6 secs Computing kpt #: 41 total cpu time spent up to now is 38.3 secs Computing kpt #: 42 total cpu time spent up to now is 39.0 secs Computing kpt #: 43 total cpu time spent up to now is 39.7 secs Computing kpt #: 44 total cpu time spent up to now is 40.4 secs Computing kpt #: 45 total cpu time spent up to now is 41.1 secs Computing kpt #: 46 total cpu time spent up to now is 41.9 secs Computing kpt #: 47 total cpu time spent up to now is 42.7 secs Computing kpt #: 48 total cpu time spent up to now is 43.5 secs Computing kpt #: 49 total cpu time spent up to now is 44.3 secs Computing kpt #: 50 total cpu time spent up to now is 45.0 secs Computing kpt #: 51 total cpu time spent up to now is 45.7 secs Computing kpt #: 52 total cpu time spent up to now is 46.3 secs Computing kpt #: 53 total cpu time spent up to now is 47.0 secs Computing kpt #: 54 total cpu time spent up to now is 47.7 secs Computing kpt #: 55 total cpu time spent up to now is 48.4 secs Computing kpt #: 56 total cpu time spent up to now is 49.0 secs Computing kpt #: 57 total cpu time spent up to now is 49.7 secs Computing kpt #: 58 total cpu time spent up to now is 50.5 secs Computing kpt #: 59 total cpu time spent up to now is 51.2 secs Computing kpt #: 60 total cpu time spent up to now is 52.0 secs Computing kpt #: 61 total cpu time spent up to now is 52.8 secs Computing kpt #: 62 total cpu time spent up to now is 53.7 secs Computing kpt #: 63 total cpu time spent up to now is 54.7 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.1 secs Computing kpt #: 65 total cpu time spent up to now is 56.9 secs Computing kpt #: 66 total cpu time spent up to now is 57.7 secs Computing kpt #: 67 total cpu time spent up to now is 58.4 secs Computing kpt #: 68 total cpu time spent up to now is 59.1 secs Computing kpt #: 69 total cpu time spent up to now is 59.8 secs Computing kpt #: 70 total cpu time spent up to now is 60.4 secs Computing kpt #: 71 total cpu time spent up to now is 61.1 secs Computing kpt #: 72 total cpu time spent up to now is 61.7 secs Computing kpt #: 73 total cpu time spent up to now is 62.4 secs Computing kpt #: 74 total cpu time spent up to now is 63.0 secs Computing kpt #: 75 total cpu time spent up to now is 63.7 secs Computing kpt #: 76 total cpu time spent up to now is 64.4 secs Computing kpt #: 77 total cpu time spent up to now is 65.1 secs Computing kpt #: 78 total cpu time spent up to now is 65.9 secs Computing kpt #: 79 total cpu time spent up to now is 66.7 secs Computing kpt #: 80 total cpu time spent up to now is 67.6 secs Computing kpt #: 81 total cpu time spent up to now is 68.6 secs Computing kpt #: 82 total cpu time spent up to now is 69.6 secs Computing kpt #: 83 total cpu time spent up to now is 70.4 secs Computing kpt #: 84 total cpu time spent up to now is 71.3 secs Computing kpt #: 85 total cpu time spent up to now is 72.2 secs Computing kpt #: 86 total cpu time spent up to now is 73.1 secs Computing kpt #: 87 total cpu time spent up to now is 74.1 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.5 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.9 secs Computing kpt #: 90 total cpu time spent up to now is 78.1 secs Computing kpt #: 91 total cpu time spent up to now is 79.3 secs Computing kpt #: 92 total cpu time spent up to now is 80.4 secs Computing kpt #: 93 total cpu time spent up to now is 81.3 secs Computing kpt #: 94 total cpu time spent up to now is 82.3 secs Computing kpt #: 95 total cpu time spent up to now is 83.3 secs Computing kpt #: 96 total cpu time spent up to now is 84.2 secs Computing kpt #: 97 total cpu time spent up to now is 85.2 secs Computing kpt #: 98 total cpu time spent up to now is 86.3 secs Computing kpt #: 99 total cpu time spent up to now is 87.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.9 secs Computing kpt #: 101 total cpu time spent up to now is 90.0 secs Computing kpt #: 102 total cpu time spent up to now is 91.0 secs Computing kpt #: 103 total cpu time spent up to now is 92.0 secs Computing kpt #: 104 total cpu time spent up to now is 93.0 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.4 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.8 secs Computing kpt #: 107 total cpu time spent up to now is 96.6 secs Computing kpt #: 108 total cpu time spent up to now is 97.2 secs Computing kpt #: 109 total cpu time spent up to now is 97.8 secs Computing kpt #: 110 total cpu time spent up to now is 98.4 secs Computing kpt #: 111 total cpu time spent up to now is 99.0 secs Computing kpt #: 112 total cpu time spent up to now is 99.6 secs Computing kpt #: 113 total cpu time spent up to now is 100.1 secs Computing kpt #: 114 total cpu time spent up to now is 100.7 secs Computing kpt #: 115 total cpu time spent up to now is 101.2 secs Computing kpt #: 116 total cpu time spent up to now is 101.8 secs Computing kpt #: 117 total cpu time spent up to now is 102.3 secs Computing kpt #: 118 total cpu time spent up to now is 102.9 secs Computing kpt #: 119 total cpu time spent up to now is 103.4 secs Computing kpt #: 120 total cpu time spent up to now is 104.0 secs Computing kpt #: 121 total cpu time spent up to now is 104.6 secs Computing kpt #: 122 total cpu time spent up to now is 105.2 secs Computing kpt #: 123 total cpu time spent up to now is 105.8 secs Computing kpt #: 124 total cpu time spent up to now is 106.4 secs Computing kpt #: 125 total cpu time spent up to now is 107.1 secs Computing kpt #: 126 total cpu time spent up to now is 107.7 secs Computing kpt #: 127 total cpu time spent up to now is 108.5 secs Computing kpt #: 128 total cpu time spent up to now is 109.3 secs Computing kpt #: 129 total cpu time spent up to now is 110.5 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.9 secs Computing kpt #: 131 total cpu time spent up to now is 113.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.8 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.4 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.9 secs Computing kpt #: 135 total cpu time spent up to now is 118.9 secs Computing kpt #: 136 total cpu time spent up to now is 119.7 secs Computing kpt #: 137 total cpu time spent up to now is 120.9 secs Computing kpt #: 138 total cpu time spent up to now is 121.7 secs Computing kpt #: 139 total cpu time spent up to now is 122.5 secs Computing kpt #: 140 total cpu time spent up to now is 123.4 secs Computing kpt #: 141 total cpu time spent up to now is 124.2 secs Computing kpt #: 142 total cpu time spent up to now is 125.1 secs Computing kpt #: 143 total cpu time spent up to now is 126.1 secs Computing kpt #: 144 total cpu time spent up to now is 126.9 secs Computing kpt #: 145 total cpu time spent up to now is 127.6 secs Computing kpt #: 146 total cpu time spent up to now is 128.3 secs Computing kpt #: 147 total cpu time spent up to now is 129.0 secs Computing kpt #: 148 total cpu time spent up to now is 129.6 secs Computing kpt #: 149 total cpu time spent up to now is 130.2 secs Computing kpt #: 150 total cpu time spent up to now is 130.7 secs Computing kpt #: 151 total cpu time spent up to now is 131.3 secs Computing kpt #: 152 total cpu time spent up to now is 131.8 secs Computing kpt #: 153 total cpu time spent up to now is 132.4 secs Computing kpt #: 154 total cpu time spent up to now is 132.9 secs Computing kpt #: 155 total cpu time spent up to now is 133.4 secs Computing kpt #: 156 total cpu time spent up to now is 134.0 secs Computing kpt #: 157 total cpu time spent up to now is 134.6 secs Computing kpt #: 158 total cpu time spent up to now is 135.1 secs Computing kpt #: 159 total cpu time spent up to now is 135.7 secs Computing kpt #: 160 total cpu time spent up to now is 136.3 secs Computing kpt #: 161 total cpu time spent up to now is 136.9 secs Computing kpt #: 162 total cpu time spent up to now is 137.5 secs Computing kpt #: 163 total cpu time spent up to now is 138.1 secs Computing kpt #: 164 total cpu time spent up to now is 138.7 secs Computing kpt #: 165 total cpu time spent up to now is 139.4 secs Computing kpt #: 166 total cpu time spent up to now is 140.1 secs Computing kpt #: 167 total cpu time spent up to now is 140.9 secs Computing kpt #: 168 total cpu time spent up to now is 141.7 secs Computing kpt #: 169 total cpu time spent up to now is 142.5 secs Computing kpt #: 170 total cpu time spent up to now is 143.4 secs Computing kpt #: 171 total cpu time spent up to now is 144.2 secs Computing kpt #: 172 total cpu time spent up to now is 145.0 secs Computing kpt #: 173 total cpu time spent up to now is 145.8 secs Computing kpt #: 174 total cpu time spent up to now is 146.6 secs Computing kpt #: 175 total cpu time spent up to now is 147.3 secs Computing kpt #: 176 total cpu time spent up to now is 148.0 secs Computing kpt #: 177 total cpu time spent up to now is 148.7 secs Computing kpt #: 178 total cpu time spent up to now is 149.4 secs Computing kpt #: 179 total cpu time spent up to now is 150.0 secs Computing kpt #: 180 total cpu time spent up to now is 150.7 secs Computing kpt #: 181 total cpu time spent up to now is 151.4 secs Computing kpt #: 182 total cpu time spent up to now is 152.1 secs Computing kpt #: 183 total cpu time spent up to now is 152.7 secs Computing kpt #: 184 total cpu time spent up to now is 153.4 secs Computing kpt #: 185 total cpu time spent up to now is 154.1 secs Computing kpt #: 186 total cpu time spent up to now is 154.8 secs Computing kpt #: 187 total cpu time spent up to now is 155.5 secs Computing kpt #: 188 total cpu time spent up to now is 156.2 secs Computing kpt #: 189 total cpu time spent up to now is 156.9 secs Computing kpt #: 190 total cpu time spent up to now is 157.6 secs Computing kpt #: 191 total cpu time spent up to now is 158.4 secs Computing kpt #: 192 total cpu time spent up to now is 159.2 secs Computing kpt #: 193 total cpu time spent up to now is 160.0 secs Computing kpt #: 194 total cpu time spent up to now is 160.8 secs Computing kpt #: 195 total cpu time spent up to now is 161.6 secs Computing kpt #: 196 total cpu time spent up to now is 162.4 secs Computing kpt #: 197 total cpu time spent up to now is 163.2 secs Computing kpt #: 198 total cpu time spent up to now is 164.1 secs Computing kpt #: 199 total cpu time spent up to now is 164.9 secs Computing kpt #: 200 total cpu time spent up to now is 165.8 secs Computing kpt #: 201 total cpu time spent up to now is 166.7 secs Computing kpt #: 202 total cpu time spent up to now is 167.6 secs Computing kpt #: 203 total cpu time spent up to now is 168.5 secs Computing kpt #: 204 total cpu time spent up to now is 169.3 secs Computing kpt #: 205 total cpu time spent up to now is 170.2 secs Computing kpt #: 206 total cpu time spent up to now is 171.1 secs Computing kpt #: 207 total cpu time spent up to now is 172.0 secs Computing kpt #: 208 total cpu time spent up to now is 172.9 secs Computing kpt #: 209 total cpu time spent up to now is 173.9 secs Computing kpt #: 210 total cpu time spent up to now is 174.9 secs Computing kpt #: 211 total cpu time spent up to now is 175.8 secs Computing kpt #: 212 total cpu time spent up to now is 176.8 secs Computing kpt #: 213 total cpu time spent up to now is 177.7 secs Computing kpt #: 214 total cpu time spent up to now is 178.5 secs Computing kpt #: 215 total cpu time spent up to now is 179.4 secs Computing kpt #: 216 total cpu time spent up to now is 180.2 secs Computing kpt #: 217 total cpu time spent up to now is 181.0 secs Computing kpt #: 218 total cpu time spent up to now is 182.0 secs Computing kpt #: 219 total cpu time spent up to now is 183.0 secs Computing kpt #: 220 total cpu time spent up to now is 183.8 secs Computing kpt #: 221 total cpu time spent up to now is 184.6 secs Computing kpt #: 222 total cpu time spent up to now is 185.3 secs Computing kpt #: 223 total cpu time spent up to now is 186.1 secs Computing kpt #: 224 total cpu time spent up to now is 186.9 secs Computing kpt #: 225 total cpu time spent up to now is 187.6 secs Computing kpt #: 226 total cpu time spent up to now is 188.2 secs Computing kpt #: 227 total cpu time spent up to now is 188.8 secs Computing kpt #: 228 total cpu time spent up to now is 189.4 secs Computing kpt #: 229 total cpu time spent up to now is 190.0 secs Computing kpt #: 230 total cpu time spent up to now is 190.6 secs Computing kpt #: 231 total cpu time spent up to now is 191.1 secs Computing kpt #: 232 total cpu time spent up to now is 191.7 secs Computing kpt #: 233 total cpu time spent up to now is 192.2 secs Computing kpt #: 234 total cpu time spent up to now is 192.8 secs Computing kpt #: 235 total cpu time spent up to now is 193.3 secs Computing kpt #: 236 total cpu time spent up to now is 193.9 secs Computing kpt #: 237 total cpu time spent up to now is 194.5 secs Computing kpt #: 238 total cpu time spent up to now is 195.0 secs Computing kpt #: 239 total cpu time spent up to now is 195.6 secs Computing kpt #: 240 total cpu time spent up to now is 196.3 secs Computing kpt #: 241 total cpu time spent up to now is 197.0 secs Computing kpt #: 242 total cpu time spent up to now is 197.7 secs Computing kpt #: 243 total cpu time spent up to now is 198.4 secs Computing kpt #: 244 total cpu time spent up to now is 199.1 secs Computing kpt #: 245 total cpu time spent up to now is 199.8 secs Computing kpt #: 246 total cpu time spent up to now is 200.5 secs Computing kpt #: 247 total cpu time spent up to now is 201.2 secs Computing kpt #: 248 total cpu time spent up to now is 201.9 secs Computing kpt #: 249 total cpu time spent up to now is 202.6 secs Computing kpt #: 250 total cpu time spent up to now is 203.3 secs Computing kpt #: 251 total cpu time spent up to now is 204.0 secs Computing kpt #: 252 total cpu time spent up to now is 204.7 secs Computing kpt #: 253 total cpu time spent up to now is 205.4 secs Computing kpt #: 254 total cpu time spent up to now is 206.1 secs Computing kpt #: 255 total cpu time spent up to now is 206.8 secs Computing kpt #: 256 total cpu time spent up to now is 207.5 secs Computing kpt #: 257 total cpu time spent up to now is 208.2 secs Computing kpt #: 258 total cpu time spent up to now is 208.9 secs Computing kpt #: 259 total cpu time spent up to now is 209.6 secs Computing kpt #: 260 total cpu time spent up to now is 210.2 secs Computing kpt #: 261 total cpu time spent up to now is 210.9 secs Computing kpt #: 262 total cpu time spent up to now is 211.5 secs Computing kpt #: 263 total cpu time spent up to now is 212.2 secs Computing kpt #: 264 total cpu time spent up to now is 212.9 secs Computing kpt #: 265 total cpu time spent up to now is 213.5 secs Computing kpt #: 266 total cpu time spent up to now is 214.1 secs Computing kpt #: 267 total cpu time spent up to now is 214.8 secs Computing kpt #: 268 total cpu time spent up to now is 215.4 secs Computing kpt #: 269 total cpu time spent up to now is 216.0 secs Computing kpt #: 270 total cpu time spent up to now is 216.7 secs Computing kpt #: 271 total cpu time spent up to now is 217.3 secs Computing kpt #: 272 total cpu time spent up to now is 218.0 secs Computing kpt #: 273 total cpu time spent up to now is 218.7 secs Computing kpt #: 274 total cpu time spent up to now is 219.4 secs Computing kpt #: 275 total cpu time spent up to now is 220.1 secs Computing kpt #: 276 total cpu time spent up to now is 220.9 secs Computing kpt #: 277 total cpu time spent up to now is 221.7 secs Computing kpt #: 278 total cpu time spent up to now is 222.4 secs Computing kpt #: 279 total cpu time spent up to now is 223.2 secs Computing kpt #: 280 total cpu time spent up to now is 223.9 secs Computing kpt #: 281 total cpu time spent up to now is 224.5 secs Computing kpt #: 282 total cpu time spent up to now is 225.2 secs Computing kpt #: 283 total cpu time spent up to now is 225.8 secs Computing kpt #: 284 total cpu time spent up to now is 226.4 secs Computing kpt #: 285 total cpu time spent up to now is 227.0 secs Computing kpt #: 286 total cpu time spent up to now is 227.6 secs Computing kpt #: 287 total cpu time spent up to now is 228.1 secs Computing kpt #: 288 total cpu time spent up to now is 228.7 secs Computing kpt #: 289 total cpu time spent up to now is 229.3 secs Computing kpt #: 290 total cpu time spent up to now is 229.8 secs Computing kpt #: 291 total cpu time spent up to now is 230.3 secs Computing kpt #: 292 total cpu time spent up to now is 230.8 secs Computing kpt #: 293 total cpu time spent up to now is 231.7 secs Computing kpt #: 294 total cpu time spent up to now is 232.7 secs Computing kpt #: 295 total cpu time spent up to now is 233.7 secs Computing kpt #: 296 total cpu time spent up to now is 235.0 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.5 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.9 secs Computing kpt #: 299 total cpu time spent up to now is 238.9 secs Computing kpt #: 300 total cpu time spent up to now is 239.7 secs Computing kpt #: 301 total cpu time spent up to now is 240.4 secs Computing kpt #: 302 total cpu time spent up to now is 241.1 secs Computing kpt #: 303 total cpu time spent up to now is 241.8 secs Computing kpt #: 304 total cpu time spent up to now is 242.5 secs Computing kpt #: 305 total cpu time spent up to now is 243.1 secs Computing kpt #: 306 total cpu time spent up to now is 243.8 secs Computing kpt #: 307 total cpu time spent up to now is 244.7 secs Computing kpt #: 308 total cpu time spent up to now is 245.8 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.3 secs Computing kpt #: 310 total cpu time spent up to now is 248.2 secs Computing kpt #: 311 total cpu time spent up to now is 249.0 secs Computing kpt #: 312 total cpu time spent up to now is 249.6 secs Computing kpt #: 313 total cpu time spent up to now is 250.3 secs Computing kpt #: 314 total cpu time spent up to now is 250.9 secs Computing kpt #: 315 total cpu time spent up to now is 251.4 secs Computing kpt #: 316 total cpu time spent up to now is 252.0 secs Computing kpt #: 317 total cpu time spent up to now is 252.6 secs Computing kpt #: 318 total cpu time spent up to now is 253.2 secs Computing kpt #: 319 total cpu time spent up to now is 253.7 secs Computing kpt #: 320 total cpu time spent up to now is 254.3 secs ethr = 2.78E-08, avg # of iterations = 46.2 total cpu time spent up to now is 254.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5915 PWs) bands (ev): -2.7091 -2.7091 -1.9890 -1.9890 -1.7758 -1.7758 -0.6340 -0.6340 3.4473 3.4473 5.5029 5.5029 5.8207 5.8207 6.1449 6.1449 6.1500 6.1500 7.0333 7.0333 7.0384 7.0384 7.1149 7.1149 7.1225 7.1225 8.2162 8.2162 9.3869 9.3869 9.4097 9.4097 9.4285 9.4285 9.4613 9.4613 9.5155 9.5155 9.7772 9.7772 9.8498 9.8498 10.2980 10.2980 k = 0.0100 0.0058-0.0000 ( 5919 PWs) bands (ev): -2.7077 -2.7077 -1.9881 -1.9881 -1.7749 -1.7749 -0.6342 -0.6342 3.4491 3.4491 5.5022 5.5022 5.8191 5.8191 6.1447 6.1447 6.1500 6.1500 7.0329 7.0329 7.0381 7.0381 7.1136 7.1136 7.1216 7.1216 8.2157 8.2157 9.3291 9.3291 9.3789 9.3789 9.3894 9.3894 9.4810 9.4810 9.5768 9.5768 9.7989 9.7989 9.8678 9.8678 10.3020 10.3020 k = 0.0200 0.0115-0.0000 ( 5921 PWs) bands (ev): -2.7037 -2.7037 -1.9854 -1.9854 -1.7722 -1.7722 -0.6351 -0.6351 3.4546 3.4546 5.5001 5.5001 5.8144 5.8144 6.1433 6.1433 6.1507 6.1507 7.0309 7.0309 7.0375 7.0375 7.1084 7.1084 7.1203 7.1203 8.2142 8.2142 9.2180 9.2180 9.3192 9.3192 9.3374 9.3374 9.4846 9.4846 9.6758 9.6758 9.8508 9.8508 9.9141 9.9141 10.3133 10.3133 k = 0.0300 0.0173-0.0000 ( 5935 PWs) bands (ev): -2.6969 -2.6969 -1.9808 -1.9808 -1.7677 -1.7677 -0.6366 -0.6366 3.4636 3.4636 5.4966 5.4966 5.8065 5.8065 6.1400 6.1400 6.1529 6.1529 7.0270 7.0270 7.0374 7.0374 7.0982 7.0982 7.1197 7.1197 8.2114 8.2114 9.1019 9.1019 9.2384 9.2384 9.2684 9.2684 9.4918 9.4918 9.7704 9.7704 9.9131 9.9131 9.9765 9.9765 10.3292 10.3292 k = 0.0400 0.0231-0.0000 ( 5935 PWs) bands (ev): -2.6875 -2.6875 -1.9744 -1.9744 -1.7614 -1.7614 -0.6386 -0.6386 3.4763 3.4763 5.4916 5.4916 5.7954 5.7954 6.1349 6.1349 6.1565 6.1565 7.0212 7.0212 7.0378 7.0378 7.0838 7.0838 7.1195 7.1195 8.2065 8.2065 8.9845 8.9845 9.1456 9.1456 9.1919 9.1919 9.5034 9.5034 9.8543 9.8543 9.9732 9.9732 10.0459 10.0459 10.3406 10.3406 k = 0.0500 0.0289-0.0000 ( 5923 PWs) bands (ev): -2.6754 -2.6754 -1.9663 -1.9663 -1.7533 -1.7533 -0.6412 -0.6412 3.4925 3.4925 5.4850 5.4850 5.7811 5.7811 6.1283 6.1283 6.1612 6.1612 7.0141 7.0141 7.0382 7.0382 7.0658 7.0658 7.1193 7.1193 8.1986 8.1986 8.8672 8.8672 9.0465 9.0465 9.1128 9.1128 9.5189 9.5189 9.9231 9.9231 10.0243 10.0243 10.1144 10.1144 10.3418 10.3418 k = 0.0600 0.0346-0.0000 ( 5923 PWs) bands (ev): -2.6606 -2.6606 -1.9563 -1.9563 -1.7435 -1.7435 -0.6443 -0.6443 3.5123 3.5123 5.4768 5.4768 5.7635 5.7635 6.1203 6.1203 6.1669 6.1669 7.0058 7.0058 7.0378 7.0378 7.0457 7.0457 7.1191 7.1191 8.1858 8.1858 8.7505 8.7505 8.9454 8.9454 9.0333 9.0333 9.5382 9.5382 9.9735 9.9735 10.0611 10.0611 10.1738 10.1738 10.3431 10.3431 k = 0.0700 0.0404-0.0000 ( 5925 PWs) bands (ev): -2.6432 -2.6432 -1.9447 -1.9447 -1.7320 -1.7320 -0.6479 -0.6479 3.5355 3.5355 5.4668 5.4668 5.7427 5.7427 6.1110 6.1110 6.1735 6.1735 6.9968 6.9968 7.0198 7.0198 7.0407 7.0407 7.1186 7.1186 8.1656 8.1656 8.6351 8.6351 8.8464 8.8464 8.9548 8.9548 9.5609 9.5609 10.0039 10.0039 10.0791 10.0791 10.2182 10.2182 10.3538 10.3538 k = 0.0800 0.0462-0.0000 ( 5927 PWs) bands (ev): -2.6232 -2.6232 -1.9313 -1.9313 -1.7188 -1.7188 -0.6520 -0.6520 3.5623 3.5623 5.4550 5.4550 5.7185 5.7185 6.1006 6.1006 6.1809 6.1809 6.9870 6.9870 6.9947 6.9947 7.0412 7.0412 7.1179 7.1179 8.1345 8.1345 8.5214 8.5214 8.7540 8.7540 8.8780 8.8780 9.5872 9.5872 10.0146 10.0146 10.0775 10.0775 10.2476 10.2476 10.3761 10.3761 k = 0.0900 0.0520-0.0000 ( 5935 PWs) bands (ev): -2.6006 -2.6006 -1.9162 -1.9162 -1.7039 -1.7039 -0.6566 -0.6566 3.5924 3.5924 5.4412 5.4412 5.6912 5.6912 6.0890 6.0890 6.1889 6.1889 6.9664 6.9664 6.9784 6.9784 7.0419 7.0419 7.1167 7.1167 8.0881 8.0881 8.4096 8.4096 8.6733 8.6733 8.8035 8.8035 9.6169 9.6169 10.0082 10.0082 10.0605 10.0605 10.2666 10.2666 10.4068 10.4068 k = 0.1000 0.0577-0.0000 ( 5935 PWs) bands (ev): -2.5755 -2.5755 -1.8995 -1.8995 -1.6875 -1.6875 -0.6617 -0.6617 3.6259 3.6259 5.4254 5.4254 5.6608 5.6608 6.0765 6.0765 6.1976 6.1976 6.9383 6.9383 6.9686 6.9686 7.0424 7.0424 7.1151 7.1151 8.0230 8.0230 8.3001 8.3001 8.6081 8.6081 8.7317 8.7317 9.6500 9.6500 9.9880 9.9880 10.0336 10.0336 10.2796 10.2796 10.4413 10.4413 k = 0.1100 0.0635-0.0000 ( 5931 PWs) bands (ev): -2.5479 -2.5479 -1.8812 -1.8812 -1.6695 -1.6695 -0.6671 -0.6671 3.6626 3.6626 5.4076 5.4076 5.6274 5.6274 6.0629 6.0629 6.2067 6.2067 6.9095 6.9095 6.9589 6.9589 7.0427 7.0427 7.1128 7.1128 7.9387 7.9387 8.1933 8.1933 8.5594 8.5594 8.6628 8.6628 9.6861 9.6861 9.9572 9.9572 10.0007 10.0007 10.2898 10.2898 10.4766 10.4766 k = 0.1200 0.0693-0.0000 ( 5927 PWs) bands (ev): -2.5179 -2.5179 -1.8614 -1.8614 -1.6500 -1.6500 -0.6729 -0.6729 3.7025 3.7025 5.3876 5.3876 5.5911 5.5911 6.0483 6.0483 6.2160 6.2160 6.8806 6.8806 6.9492 6.9492 7.0427 7.0427 7.1098 7.1098 7.8379 7.8379 8.0893 8.0893 8.5249 8.5249 8.5973 8.5973 9.7252 9.7252 9.9186 9.9186 9.9645 9.9645 10.2989 10.2989 10.5110 10.5110 k = 0.1300 0.0751-0.0000 ( 5915 PWs) bands (ev): -2.4855 -2.4855 -1.8402 -1.8402 -1.6292 -1.6292 -0.6791 -0.6791 3.7455 3.7455 5.3655 5.3655 5.5523 5.5523 6.0327 6.0327 6.2255 6.2255 6.8516 6.8516 6.9395 6.9395 7.0424 7.0424 7.1060 7.1060 7.7250 7.7250 7.9885 7.9885 8.5004 8.5004 8.5354 8.5354 9.7659 9.7659 9.8751 9.8751 9.9270 9.9270 10.3083 10.3083 10.5424 10.5426 k = 0.1400 0.0808-0.0000 ( 5923 PWs) bands (ev): -2.4508 -2.4508 -1.8175 -1.8175 -1.6069 -1.6069 -0.6855 -0.6855 3.7915 3.7915 5.3414 5.3414 5.5111 5.5111 6.0161 6.0161 6.2349 6.2349 6.8228 6.8228 6.9294 6.9294 7.0416 7.0416 7.1014 7.1014 7.6043 7.6043 7.8913 7.8913 8.4742 8.4742 8.4853 8.4853 9.7949 9.7949 9.8415 9.8415 9.8897 9.8897 10.3187 10.3187 10.5355 10.5355 k = 0.1500 0.0866-0.0000 ( 5911 PWs) bands (ev): -2.4139 -2.4139 -1.7934 -1.7934 -1.5834 -1.5834 -0.6921 -0.6921 3.8403 3.8403 5.3153 5.3153 5.4678 5.4678 5.9983 5.9983 6.2441 6.2441 6.7938 6.7938 6.9185 6.9185 7.0402 7.0402 7.0959 7.0959 7.4793 7.4793 7.7982 7.7982 8.4213 8.4213 8.4693 8.4693 9.7598 9.7598 9.8530 9.8530 9.8718 9.8718 10.3308 10.3308 10.5305 10.5305 k = 0.1600 0.0924-0.0000 ( 5913 PWs) bands (ev): -2.3748 -2.3748 -1.7681 -1.7681 -1.5587 -1.5587 -0.6989 -0.6989 3.8917 3.8917 5.2874 5.2874 5.4229 5.4229 5.9793 5.9793 6.2528 6.2528 6.7637 6.7637 6.9062 6.9062 7.0383 7.0383 7.0895 7.0895 7.3533 7.3533 7.7098 7.7098 8.3707 8.3707 8.4562 8.4562 9.7056 9.7056 9.8187 9.8187 9.9211 9.9211 10.3450 10.3450 10.5286 10.5286 k = 0.1700 0.0981-0.0000 ( 5915 PWs) bands (ev): -2.3335 -2.3335 -1.7417 -1.7417 -1.5328 -1.5328 -0.7059 -0.7059 3.9457 3.9457 5.2578 5.2578 5.3766 5.3766 5.9590 5.9590 6.2608 6.2608 6.7309 6.7309 6.8919 6.8919 7.0358 7.0358 7.0821 7.0821 7.2299 7.2299 7.6268 7.6268 8.3242 8.3242 8.4430 8.4430 9.6481 9.6481 9.7866 9.7866 9.9748 9.9748 10.3618 10.3618 10.5302 10.5302 k = 0.1800 0.1039-0.0000 ( 5923 PWs) bands (ev): -2.2903 -2.2903 -1.7141 -1.7141 -1.5059 -1.5059 -0.7129 -0.7129 4.0020 4.0020 5.2266 5.2266 5.3293 5.3293 5.9372 5.9372 6.2678 6.2678 6.6920 6.6920 6.8746 6.8746 7.0323 7.0323 7.0733 7.0733 7.1146 7.1146 7.5499 7.5499 8.2818 8.2818 8.4285 8.4285 9.5895 9.5895 9.7572 9.7572 10.0315 10.0315 10.3813 10.3813 10.5355 10.5355 k = 0.1900 0.1097-0.0000 ( 5911 PWs) bands (ev): -2.2453 -2.2453 -1.6854 -1.6854 -1.4781 -1.4781 -0.7198 -0.7198 4.0603 4.0603 5.1940 5.1940 5.2814 5.2814 5.9138 5.9138 6.2738 6.2738 6.6411 6.6411 6.8535 6.8535 7.0078 7.0078 7.0310 7.0310 7.0664 7.0664 7.4799 7.4799 8.2435 8.2435 8.4119 8.4119 9.5307 9.5307 9.7309 9.7309 10.0905 10.0905 10.4039 10.4039 10.5449 10.5449 k = 0.2000 0.1155-0.0000 ( 5915 PWs) bands (ev): -2.1984 -2.1984 -1.6559 -1.6559 -1.4495 -1.4495 -0.7267 -0.7267 4.1204 4.1204 5.1602 5.1602 5.2333 5.2333 5.8885 5.8885 6.2783 6.2783 6.5716 6.5716 6.8275 6.8275 6.9290 6.9290 7.0249 7.0249 7.0566 7.0566 7.4176 7.4176 8.2095 8.2095 8.3928 8.3928 9.4724 9.4724 9.7076 9.7076 10.1513 10.1513 10.4297 10.4297 10.5587 10.5587 k = 0.2100 0.1212-0.0000 ( 5915 PWs) bands (ev): -2.1499 -2.1499 -1.6255 -1.6255 -1.4202 -1.4202 -0.7334 -0.7334 4.1818 4.1818 5.1254 5.1254 5.1856 5.1856 5.8610 5.8610 6.2813 6.2813 6.4818 6.4818 6.7960 6.7960 6.8728 6.8728 7.0195 7.0195 7.0468 7.0468 7.3636 7.3636 8.1796 8.1796 8.3708 8.3708 9.4153 9.4153 9.6873 9.6873 10.2134 10.2134 10.4588 10.4588 10.5774 10.5774 k = 0.2200 0.1270-0.0000 ( 5922 PWs) bands (ev): -2.0999 -2.0999 -1.5944 -1.5944 -1.3902 -1.3902 -0.7398 -0.7398 4.2440 4.2440 5.0896 5.0896 5.1388 5.1388 5.8308 5.8308 6.2825 6.2825 6.3772 6.3772 6.7586 6.7586 6.8361 6.8361 7.0135 7.0135 7.0369 7.0369 7.3180 7.3180 8.1538 8.1538 8.3458 8.3458 9.3600 9.3600 9.6698 9.6698 10.2759 10.2759 10.4915 10.4915 10.6016 10.6016 k = 0.2300 0.1328-0.0000 ( 5926 PWs) bands (ev): -2.0486 -2.0486 -1.5626 -1.5626 -1.3598 -1.3598 -0.7458 -0.7458 4.3064 4.3064 5.0530 5.0530 5.0937 5.0937 5.7967 5.7967 6.2651 6.2651 6.2827 6.2827 6.7156 6.7156 6.8127 6.8127 7.0068 7.0068 7.0269 7.0269 7.2801 7.2801 8.1319 8.1319 8.3179 8.3179 9.3069 9.3069 9.6547 9.6547 10.3380 10.3380 10.5276 10.5276 10.6321 10.6321 k = 0.2400 0.1386-0.0000 ( 5934 PWs) bands (ev): -1.9961 -1.9961 -1.5304 -1.5304 -1.3290 -1.3290 -0.7513 -0.7513 4.3678 4.3678 5.0156 5.0156 5.0513 5.0513 5.7570 5.7570 6.1546 6.1546 6.2795 6.2795 6.6679 6.6679 6.7975 6.7975 6.9996 6.9996 7.0171 7.0171 7.2491 7.2491 8.1139 8.1139 8.2873 8.2873 9.2564 9.2564 9.6417 9.6417 10.3983 10.3983 10.5673 10.5673 10.6699 10.6699 k = 0.2500 0.1443-0.0000 ( 5926 PWs) bands (ev): -1.9427 -1.9427 -1.4977 -1.4977 -1.2980 -1.2980 -0.7562 -0.7562 4.4268 4.4268 4.9773 4.9773 5.0132 5.0132 5.7087 5.7087 6.0503 6.0503 6.2749 6.2749 6.6167 6.6167 6.7876 6.7876 6.9917 6.9917 7.0076 7.0076 7.2235 7.2235 8.0996 8.0996 8.2543 8.2543 9.2089 9.2089 9.6301 9.6301 10.4559 10.4559 10.6106 10.6106 10.7158 10.7158 k = 0.2600 0.1501-0.0000 ( 5936 PWs) bands (ev): -1.8885 -1.8885 -1.4648 -1.4648 -1.2670 -1.2670 -0.7602 -0.7602 4.4808 4.4808 4.9380 4.9380 4.9817 4.9817 5.6479 5.6479 5.9586 5.9586 6.2683 6.2683 6.5632 6.5632 6.7814 6.7814 6.9833 6.9833 6.9984 6.9984 7.2022 7.2022 8.0888 8.0888 8.2193 8.2193 9.1647 9.1647 9.6195 9.6195 10.5098 10.5098 10.6574 10.6574 10.7702 10.7702 k = 0.2700 0.1559-0.0000 ( 5936 PWs) bands (ev): -1.8339 -1.8339 -1.4317 -1.4317 -1.2360 -1.2360 -0.7634 -0.7634 4.5260 4.5260 4.8975 4.8975 4.9605 4.9605 5.5725 5.5725 5.8836 5.8836 6.2598 6.2598 6.5086 6.5086 6.7777 6.7777 6.9744 6.9744 6.9897 6.9897 7.1840 7.1840 8.0813 8.0813 8.1825 8.1825 9.1240 9.1240 9.6095 9.6095 10.5601 10.5601 10.7076 10.7076 10.8327 10.8327 k = 0.2800 0.1617-0.0000 ( 5934 PWs) bands (ev): -1.7792 -1.7792 -1.3986 -1.3986 -1.2052 -1.2052 -0.7653 -0.7653 4.5576 4.5576 4.8551 4.8551 4.9544 4.9544 5.4846 5.4846 5.8247 5.8247 6.2495 6.2495 6.4536 6.4536 6.7758 6.7758 6.9652 6.9652 6.9815 6.9815 7.1680 7.1680 8.0768 8.0768 8.1444 8.1444 9.0870 9.0870 9.5997 9.5997 10.6073 10.6073 10.7611 10.7611 10.9022 10.9022 k = 0.2900 0.1674-0.0000 ( 5950 PWs) bands (ev): -1.7246 -1.7246 -1.3656 -1.3656 -1.1749 -1.1749 -0.7659 -0.7659 4.5717 4.5717 4.8102 4.8102 4.9669 4.9669 5.3902 5.3902 5.7775 5.7775 6.2376 6.2376 6.3992 6.3992 6.7753 6.7753 6.9556 6.9556 6.9738 6.9738 7.1534 7.1534 8.0751 8.0751 8.1056 8.1056 9.0538 9.0538 9.5899 9.5899 10.6524 10.6524 10.8179 10.8179 10.9771 10.9771 k = 0.3000 0.1732-0.0000 ( 5954 PWs) bands (ev): -1.6706 -1.6706 -1.3329 -1.3329 -1.1450 -1.1450 -0.7649 -0.7649 4.5686 4.5686 4.7614 4.7614 4.9976 4.9976 5.2952 5.2952 5.7378 5.7378 6.2244 6.2244 6.3459 6.3459 6.7757 6.7757 6.9458 6.9458 6.9665 6.9665 7.1400 7.1400 8.0645 8.0645 8.0775 8.0775 9.0243 9.0243 9.5798 9.5798 10.6959 10.6959 10.8777 10.8777 11.0539 11.0539 k = 0.3100 0.1790-0.0000 ( 5962 PWs) bands (ev): -1.6176 -1.6176 -1.3005 -1.3005 -1.1157 -1.1157 -0.7620 -0.7620 4.5525 4.5525 4.7076 4.7076 5.0419 5.0419 5.2046 5.2046 5.7027 5.7027 6.2100 6.2100 6.2941 6.2941 6.7768 6.7768 6.9359 6.9359 6.9595 6.9595 7.1275 7.1275 8.0253 8.0253 8.0802 8.0802 8.9984 8.9984 9.5694 9.5694 10.7384 10.7384 10.9403 10.9403 11.1188 11.1191 k = 0.3200 0.1848-0.0000 ( 5958 PWs) bands (ev): -1.5661 -1.5661 -1.2686 -1.2686 -1.0871 -1.0871 -0.7570 -0.7570 4.5285 4.5285 4.6472 4.6472 5.0942 5.0942 5.1220 5.1220 5.6707 5.6707 6.1948 6.1948 6.2442 6.2442 6.7784 6.7784 6.9259 6.9259 6.9529 6.9529 7.1159 7.1159 7.9854 7.9854 8.0856 8.0856 8.9760 8.9760 9.5589 9.5589 10.7802 10.7802 11.0057 11.0057 11.1773 11.1774 k = 0.3300 0.1905-0.0000 ( 5954 PWs) bands (ev): -1.5167 -1.5167 -1.2374 -1.2374 -1.0593 -1.0593 -0.7497 -0.7497 4.5001 4.5001 4.5795 4.5795 5.0495 5.0495 5.1510 5.1510 5.6407 5.6407 6.1789 6.1789 6.1965 6.1965 6.7804 6.7804 6.9160 6.9160 6.9466 6.9466 7.1053 7.1053 7.9456 7.9456 8.0930 8.0930 8.9568 8.9568 9.5482 9.5482 10.8211 10.8211 11.0735 11.0735 11.2388 11.2388 k = 0.3400 0.1963-0.0000 ( 5956 PWs) bands (ev): -1.4699 -1.4699 -1.2070 -1.2070 -1.0323 -1.0323 -0.7399 -0.7399 4.4697 4.4697 4.5048 4.5048 4.9881 4.9881 5.2090 5.2090 5.6122 5.6122 6.1513 6.1513 6.1627 6.1627 6.7826 6.7826 6.9063 6.9063 6.9406 6.9406 7.0957 7.0957 7.9061 7.9061 8.1019 8.1019 8.9406 8.9406 9.5376 9.5376 10.8612 10.8612 11.1434 11.1434 11.3031 11.3031 k = 0.3500 0.2021-0.0000 ( 5952 PWs) bands (ev): -1.4263 -1.4263 -1.1775 -1.1775 -1.0059 -1.0059 -0.7274 -0.7274 4.4230 4.4230 4.4400 4.4400 4.9372 4.9372 5.2665 5.2665 5.5851 5.5851 6.1087 6.1087 6.1464 6.1464 6.7850 6.7850 6.8968 6.8968 6.9348 6.9348 7.0876 7.0876 7.8672 7.8672 8.1121 8.1121 8.9271 8.9271 9.5273 9.5273 10.9001 10.9001 11.2150 11.2150 11.3578 11.3578 k = 0.3600 0.2078-0.0000 ( 5944 PWs) bands (ev): -1.3864 -1.3864 -1.1491 -1.1491 -0.9802 -0.9802 -0.7123 -0.7123 4.3393 4.3393 4.4090 4.4090 4.8953 4.8953 5.3220 5.3220 5.5592 5.5592 6.0691 6.0691 6.1302 6.1302 6.7875 6.7875 6.8878 6.8878 6.9292 6.9292 7.0811 7.0811 7.8290 7.8290 8.1232 8.1232 8.9158 8.9158 9.5174 9.5174 10.9377 10.9377 11.2876 11.2876 11.3628 11.3628 k = 0.3700 0.2136-0.0000 ( 5946 PWs) bands (ev): -1.3507 -1.3507 -1.1220 -1.1220 -0.9550 -0.9550 -0.6946 -0.6946 4.2536 4.2536 4.3793 4.3793 4.8607 4.8607 5.3743 5.3743 5.5346 5.5346 6.0325 6.0325 6.1143 6.1143 6.7900 6.7900 6.8793 6.8793 6.9238 6.9238 7.0765 7.0765 7.7917 7.7917 8.1351 8.1351 8.9064 8.9064 9.5082 9.5082 10.9735 10.9735 11.3473 11.3473 11.3740 11.3740 k = 0.3800 0.2194-0.0000 ( 5958 PWs) bands (ev): -1.3194 -1.3194 -1.0962 -1.0962 -0.9303 -0.9303 -0.6746 -0.6746 4.1683 4.1683 4.3511 4.3511 4.8321 4.8321 5.4219 5.4219 5.5119 5.5119 5.9991 5.9991 6.0990 6.0990 6.7925 6.7925 6.8715 6.8715 6.9186 6.9186 7.0741 7.0741 7.7554 7.7554 8.1475 8.1475 8.8987 8.8987 9.4997 9.4997 11.0073 11.0073 11.3501 11.3501 11.4422 11.4422 k = 0.3900 0.2252-0.0000 ( 5954 PWs) bands (ev): -1.2926 -1.2926 -1.0718 -1.0718 -0.9062 -0.9062 -0.6526 -0.6526 4.0851 4.0851 4.3245 4.3245 4.8082 4.8082 5.4591 5.4591 5.4962 5.4962 5.9693 5.9693 6.0843 6.0843 6.7949 6.7949 6.8647 6.8647 6.9136 6.9136 7.0739 7.0739 7.7203 7.7203 8.1599 8.1599 8.8922 8.8922 9.4922 9.4922 11.0388 11.0388 11.3463 11.3463 11.5175 11.5175 k = 0.4000 0.2309-0.0000 ( 5958 PWs) bands (ev): -1.2702 -1.2702 -1.0491 -1.0491 -0.8831 -0.8831 -0.6291 -0.6291 4.0052 4.0052 4.2997 4.2997 4.7883 4.7883 5.4582 5.4582 5.5146 5.5146 5.9431 5.9431 6.0704 6.0704 6.7969 6.7969 6.8591 6.8591 6.9090 6.9090 7.0760 7.0760 7.6866 7.6866 8.1723 8.1723 8.8868 8.8868 9.4856 9.4856 11.0678 11.0678 11.3423 11.3423 11.5931 11.5931 k = 0.4100 0.2367-0.0000 ( 5962 PWs) bands (ev): -1.2517 -1.2517 -1.0282 -1.0282 -0.8611 -0.8611 -0.6046 -0.6046 3.9299 3.9299 4.2770 4.2770 4.7717 4.7717 5.4405 5.4405 5.5456 5.5456 5.9208 5.9208 6.0575 6.0575 6.7984 6.7984 6.8549 6.8549 6.9046 6.9046 7.0801 7.0801 7.6546 7.6546 8.1844 8.1844 8.8821 8.8821 9.4800 9.4800 11.0942 11.0942 11.3387 11.3387 11.6680 11.6680 k = 0.4200 0.2425-0.0000 ( 5954 PWs) bands (ev): -1.2367 -1.2367 -1.0091 -1.0091 -0.8407 -0.8407 -0.5799 -0.5799 3.8600 3.8600 4.2563 4.2563 4.7580 4.7580 5.4223 5.4223 5.5726 5.5726 5.9026 5.9026 6.0457 6.0457 6.7991 6.7991 6.8523 6.8523 6.9005 6.9005 7.0862 7.0862 7.6245 7.6245 8.1958 8.1958 8.8780 8.8780 9.4754 9.4754 11.1178 11.1178 11.3357 11.3357 11.7414 11.7414 k = 0.4300 0.2483-0.0000 ( 5954 PWs) bands (ev): -1.2248 -1.2248 -0.9920 -0.9920 -0.8221 -0.8221 -0.5556 -0.5556 3.7962 3.7962 4.2379 4.2379 4.7466 4.7466 5.4053 5.4053 5.5942 5.5942 5.8885 5.8885 6.0350 6.0350 6.7990 6.7990 6.8515 6.8515 6.8969 6.8969 7.0937 7.0937 7.5966 7.5966 8.2064 8.2064 8.8744 8.8744 9.4717 9.4717 11.1385 11.1385 11.3333 11.3333 11.8122 11.8122 k = 0.4400 0.2540-0.0000 ( 5942 PWs) bands (ev): -1.2154 -1.2154 -0.9769 -0.9769 -0.8057 -0.8057 -0.5325 -0.5325 3.7394 3.7394 4.2218 4.2218 4.7374 4.7374 5.3900 5.3900 5.6103 5.6103 5.8782 5.8782 6.0257 6.0257 6.7981 6.7981 6.8521 6.8521 6.8936 6.8936 7.1020 7.1020 7.5713 7.5713 8.2161 8.2161 8.8711 8.8711 9.4687 9.4687 11.1564 11.1564 11.3314 11.3314 11.8795 11.8795 k = 0.4500 0.2598-0.0000 ( 5944 PWs) bands (ev): -1.2082 -1.2082 -0.9640 -0.9640 -0.7916 -0.7916 -0.5114 -0.5114 3.6902 3.6902 4.2080 4.2080 4.7301 4.7301 5.3765 5.3765 5.6215 5.6215 5.8713 5.8713 6.0176 6.0176 6.7967 6.7967 6.8538 6.8538 6.8908 6.8908 7.1107 7.1107 7.5490 7.5490 8.2245 8.2245 8.8683 8.8683 9.4665 9.4665 11.1713 11.1713 11.3301 11.3301 11.9420 11.9420 k = 0.4600 0.2656-0.0000 ( 5958 PWs) bands (ev): -1.2028 -1.2028 -0.9534 -0.9534 -0.7800 -0.7800 -0.4931 -0.4931 3.6491 3.6491 4.1967 4.1967 4.7244 4.7244 5.3652 5.3652 5.6288 5.6288 5.8672 5.8672 6.0109 6.0109 6.7952 6.7952 6.8560 6.8560 6.8884 6.8884 7.1189 7.1189 7.5299 7.5299 8.2317 8.2317 8.8658 8.8658 9.4648 9.4648 11.1835 11.1835 11.3292 11.3292 11.9981 11.9981 k = 0.4700 0.2714-0.0000 ( 5958 PWs) bands (ev): -1.1988 -1.1988 -0.9450 -0.9450 -0.7708 -0.7708 -0.4781 -0.4781 3.6166 3.6166 4.1879 4.1879 4.7202 4.7202 5.3562 5.3562 5.6330 5.6330 5.8650 5.8650 6.0057 6.0057 6.7937 6.7937 6.8583 6.8583 6.8865 6.8865 7.1261 7.1261 7.5146 7.5146 8.2374 8.2374 8.8639 8.8639 9.4636 9.4636 11.1929 11.1929 11.3286 11.3286 12.0462 12.0462 k = 0.4800 0.2771-0.0000 ( 5956 PWs) bands (ev): -1.1961 -1.1961 -0.9390 -0.9390 -0.7643 -0.7643 -0.4670 -0.4670 3.5931 3.5931 4.1815 4.1815 4.7172 4.7172 5.3497 5.3497 5.6353 5.6353 5.8640 5.8640 6.0019 6.0019 6.7925 6.7925 6.8603 6.8603 6.8852 6.8852 7.1318 7.1318 7.5034 7.5034 8.2415 8.2415 8.8624 8.8624 9.4629 9.4629 11.1995 11.1995 11.3283 11.3283 12.0840 12.0840 k = 0.4900 0.2829-0.0000 ( 5968 PWs) bands (ev): -1.1946 -1.1946 -0.9354 -0.9354 -0.7603 -0.7603 -0.4601 -0.4601 3.5788 3.5788 4.1777 4.1777 4.7155 4.7155 5.3457 5.3457 5.6364 5.6364 5.8636 5.8636 5.9997 5.9997 6.7918 6.7918 6.8616 6.8616 6.8843 6.8843 7.1353 7.1353 7.4965 7.4965 8.2440 8.2440 8.8615 8.8615 9.4625 9.4625 11.2035 11.2035 11.3282 11.3282 12.1089 12.1089 k = 0.5000 0.2887-0.0000 ( 5954 PWs) bands (ev): -1.1941 -1.1941 -0.9342 -0.9342 -0.7590 -0.7590 -0.4578 -0.4578 3.5741 3.5741 4.1764 4.1764 4.7150 4.7150 5.3444 5.3444 5.6367 5.6367 5.8635 5.8635 5.9989 5.9989 6.7915 6.7915 6.8621 6.8621 6.8841 6.8841 7.1365 7.1365 7.4942 7.4942 8.2449 8.2449 8.8612 8.8612 9.4623 9.4623 11.2048 11.2048 11.3282 11.3282 12.1177 12.1177 k = 0.5000 0.2887-0.0000 ( 5954 PWs) bands (ev): -1.1941 -1.1941 -0.9342 -0.9342 -0.7590 -0.7590 -0.4578 -0.4578 3.5741 3.5741 4.1764 4.1764 4.7150 4.7150 5.3444 5.3444 5.6367 5.6367 5.8635 5.8635 5.9989 5.9989 6.7915 6.7915 6.8621 6.8621 6.8841 6.8841 7.1365 7.1365 7.4942 7.4942 8.2449 8.2449 8.8612 8.8612 9.4623 9.4623 11.2048 11.2048 11.3282 11.3282 12.1177 12.1177 k = 0.4943 0.2986-0.0000 ( 5964 PWs) bands (ev): -1.1932 -1.1932 -0.9338 -0.9338 -0.7586 -0.7586 -0.4582 -0.4582 3.5756 3.5756 4.1778 4.1778 4.7150 4.7150 5.3443 5.3443 5.6376 5.6376 5.8641 5.8641 5.9994 5.9994 6.7840 6.7840 6.8342 6.8342 6.9107 6.9107 7.1345 7.1345 7.4800 7.4800 8.2576 8.2576 8.8649 8.8649 9.4676 9.4676 11.1930 11.1930 11.3439 11.3439 12.1112 12.1112 k = 0.4885 0.3086-0.0000 ( 5952 PWs) bands (ev): -1.1906 -1.1906 -0.9328 -0.9328 -0.7575 -0.7575 -0.4593 -0.4593 3.5801 3.5801 4.1821 4.1821 4.7151 4.7151 5.3438 5.3438 5.6403 5.6403 5.8656 5.8656 6.0009 6.0009 6.7591 6.7591 6.8016 6.8016 6.9424 6.9424 7.1284 7.1284 7.4401 7.4401 8.2934 8.2934 8.8761 8.8761 9.4833 9.4833 11.1678 11.1678 11.3811 11.3811 12.0926 12.0926 k = 0.4828 0.3185-0.0000 ( 5946 PWs) bands (ev): -1.1862 -1.1862 -0.9310 -0.9310 -0.7556 -0.7556 -0.4611 -0.4611 3.5877 3.5877 4.1891 4.1891 4.7152 4.7152 5.3430 5.3430 5.6447 5.6447 5.8681 5.8681 6.0033 6.0033 6.7183 6.7183 6.7725 6.7725 6.9697 6.9697 7.1185 7.1185 7.3801 7.3801 8.3466 8.3466 8.8944 8.8944 9.5091 9.5091 11.1399 11.1399 11.4287 11.4287 12.0636 12.0636 k = 0.4770 0.3285-0.0000 ( 5934 PWs) bands (ev): -1.1802 -1.1802 -0.9286 -0.9286 -0.7530 -0.7530 -0.4636 -0.4636 3.5983 3.5983 4.1988 4.1988 4.7155 4.7155 5.3418 5.3418 5.6510 5.6510 5.8715 5.8715 6.0066 6.0066 6.6699 6.6699 6.7404 6.7404 6.9914 6.9914 7.1053 7.1053 7.3060 7.3060 8.4116 8.4116 8.9192 8.9192 9.5445 9.5445 11.1130 11.1130 11.4829 11.4829 12.0266 12.0266 k = 0.4713 0.3384-0.0000 ( 5938 PWs) bands (ev): -1.1725 -1.1725 -0.9255 -0.9255 -0.7497 -0.7497 -0.4667 -0.4667 3.6118 3.6118 4.2114 4.2114 4.7158 4.7158 5.3401 5.3401 5.6589 5.6589 5.8758 5.8758 6.0108 6.0108 6.6182 6.6182 6.7028 6.7028 7.0060 7.0060 7.0900 7.0900 7.2225 7.2225 8.4843 8.4843 8.9498 8.9498 9.5890 9.5890 11.0883 11.0883 11.5420 11.5420 11.9838 11.9838 k = 0.4655 0.3484-0.0000 ( 5938 PWs) bands (ev): -1.1631 -1.1631 -0.9218 -0.9218 -0.7457 -0.7457 -0.4706 -0.4706 3.6284 3.6284 4.2266 4.2266 4.7162 4.7162 5.3378 5.3378 5.6686 5.6686 5.8808 5.8808 6.0156 6.0156 6.5647 6.5647 6.6596 6.6596 7.0108 7.0108 7.0739 7.0739 7.1343 7.1343 8.5620 8.5620 8.9857 8.9857 9.6418 9.6418 11.0663 11.0663 11.6053 11.6053 11.9372 11.9372 k = 0.4598 0.3584-0.0000 ( 5942 PWs) bands (ev): -1.1522 -1.1522 -0.9174 -0.9174 -0.7410 -0.7410 -0.4751 -0.4751 3.6479 3.6479 4.2444 4.2444 4.7168 4.7168 5.3346 5.3346 5.6799 5.6799 5.8864 5.8864 6.0209 6.0209 6.5108 6.5108 6.6114 6.6114 7.0014 7.0014 7.0289 7.0289 7.0762 7.0762 8.6429 8.6429 9.0259 9.0259 9.7020 9.7020 11.0469 11.0469 11.6722 11.6722 11.8883 11.8883 k = 0.4540 0.3683-0.0000 ( 5938 PWs) bands (ev): -1.1397 -1.1397 -0.9125 -0.9125 -0.7358 -0.7358 -0.4802 -0.4802 3.6703 3.6703 4.2648 4.2648 4.7175 4.7175 5.3305 5.3305 5.6929 5.6929 5.8923 5.8923 6.0265 6.0265 6.4572 6.4572 6.5590 6.5590 6.9323 6.9323 6.9835 6.9835 7.0675 7.0675 8.7261 8.7261 9.0698 9.0698 9.7688 9.7688 11.0302 11.0302 11.7419 11.7419 11.8385 11.8385 k = 0.4483 0.3783-0.0000 ( 5938 PWs) bands (ev): -1.1258 -1.1258 -0.9071 -0.9071 -0.7300 -0.7300 -0.4859 -0.4859 3.6956 3.6956 4.2877 4.2877 4.7184 4.7184 5.3251 5.3251 5.7075 5.7075 5.8983 5.8983 6.0317 6.0317 6.4047 6.4047 6.5033 6.5033 6.8337 6.8337 6.9553 6.9553 7.0621 7.0621 8.8111 8.8111 9.1167 9.1167 9.8410 9.8410 11.0158 11.0158 11.7846 11.7846 11.8178 11.8178 k = 0.4425 0.3882-0.0000 ( 5938 PWs) bands (ev): -1.1106 -1.1106 -0.9012 -0.9012 -0.7237 -0.7237 -0.4922 -0.4922 3.7238 3.7238 4.3130 4.3130 4.7195 4.7195 5.3183 5.3183 5.7236 5.7236 5.9039 5.9039 6.0358 6.0358 6.3541 6.3541 6.4454 6.4454 6.7343 6.7343 6.9229 6.9229 7.0549 7.0549 8.8973 8.8973 9.1661 9.1661 9.9178 9.9178 11.0038 11.0038 11.7364 11.7364 11.8903 11.8903 k = 0.4368 0.3982-0.0000 ( 5954 PWs) bands (ev): -1.0941 -1.0941 -0.8949 -0.8949 -0.7170 -0.7170 -0.4990 -0.4990 3.7548 3.7548 4.3407 4.3407 4.7210 4.7210 5.3097 5.3097 5.7411 5.7411 5.9086 5.9086 6.0374 6.0374 6.3062 6.3062 6.3865 6.3865 6.6368 6.6368 6.8876 6.8876 7.0445 7.0445 8.9847 8.9847 9.2174 9.2174 9.9981 9.9981 10.9938 10.9938 11.6873 11.6873 11.9653 11.9653 k = 0.4310 0.4081-0.0000 ( 5956 PWs) bands (ev): -1.0764 -1.0764 -0.8882 -0.8882 -0.7100 -0.7100 -0.5062 -0.5062 3.7885 3.7885 4.3705 4.3705 4.7227 4.7227 5.2992 5.2992 5.7600 5.7600 5.9114 5.9114 6.0341 6.0341 6.2615 6.2615 6.3280 6.3280 6.5441 6.5441 6.8502 6.8502 7.0306 7.0306 9.0731 9.0731 9.2703 9.2703 10.0808 10.0808 10.9858 10.9858 11.6392 11.6392 12.0124 12.0124 k = 0.4253 0.4181-0.0000 ( 5958 PWs) bands (ev): -1.0578 -1.0578 -0.8812 -0.8812 -0.7026 -0.7026 -0.5139 -0.5139 3.8250 3.8250 4.4025 4.4025 4.7248 4.7248 5.2866 5.2866 5.7801 5.7801 5.9107 5.9107 6.0220 6.0220 6.2208 6.2208 6.2719 6.2719 6.4607 6.4607 6.8111 6.8111 7.0132 7.0132 9.1625 9.1625 9.3244 9.3244 10.1650 10.1650 10.9795 10.9795 11.5927 11.5927 11.9498 11.9498 k = 0.4195 0.4280-0.0000 ( 5960 PWs) bands (ev): -1.0382 -1.0382 -0.8740 -0.8740 -0.6951 -0.6951 -0.5219 -0.5219 3.8641 3.8641 4.4366 4.4366 4.7273 4.7273 5.2716 5.2716 5.8013 5.8013 5.9042 5.9042 5.9954 5.9954 6.1843 6.1843 6.2209 6.2209 6.3926 6.3926 6.7708 6.7708 6.9924 6.9924 9.2529 9.2529 9.3794 9.3794 10.2496 10.2496 10.9748 10.9748 11.5479 11.5479 11.8838 11.8838 k = 0.4138 0.4380-0.0000 ( 5954 PWs) bands (ev): -1.0179 -1.0179 -0.8666 -0.8666 -0.6874 -0.6874 -0.5302 -0.5302 3.9057 3.9057 4.4725 4.4725 4.7302 4.7302 5.2542 5.2542 5.8235 5.8235 5.8886 5.8886 5.9493 5.9493 6.1525 6.1525 6.1786 6.1786 6.3455 6.3455 6.7298 6.7298 6.9684 6.9684 9.3441 9.3441 9.4351 9.4351 10.3337 10.3337 10.9715 10.9715 11.5051 11.5051 11.8156 11.8156 k = 0.4080 0.4479-0.0000 ( 5950 PWs) bands (ev): -0.9971 -0.9971 -0.8592 -0.8592 -0.6797 -0.6797 -0.5387 -0.5387 3.9498 3.9498 4.5103 4.5103 4.7336 4.7336 5.2345 5.2345 5.8459 5.8459 5.8608 5.8608 5.8842 5.8842 6.1255 6.1255 6.1482 6.1482 6.3199 6.3199 6.6883 6.6883 6.9415 6.9415 9.4360 9.4360 9.4916 9.4916 10.4163 10.4163 10.9695 10.9695 11.4643 11.4643 11.7458 11.7458 k = 0.4023 0.4579-0.0000 ( 5966 PWs) bands (ev): -0.9760 -0.9760 -0.8517 -0.8517 -0.6721 -0.6721 -0.5473 -0.5473 3.9964 3.9964 4.5497 4.5497 4.7375 4.7375 5.2126 5.2126 5.8005 5.8005 5.8224 5.8224 5.8710 5.8710 6.1033 6.1033 6.1304 6.1304 6.3110 6.3110 6.6467 6.6467 6.9119 6.9119 9.5261 9.5261 9.5509 9.5509 10.4966 10.4966 10.9686 10.9686 11.4258 11.4258 11.6745 11.6745 k = 0.3966 0.4679-0.0000 ( 5966 PWs) bands (ev): -0.9548 -0.9548 -0.8443 -0.8443 -0.6646 -0.6646 -0.5558 -0.5558 4.0452 4.0452 4.5907 4.5907 4.7420 4.7420 5.1887 5.1887 5.7116 5.7116 5.7722 5.7722 5.8948 5.8948 6.0859 6.0859 6.1232 6.1232 6.3131 6.3131 6.6053 6.6053 6.8799 6.8799 9.5969 9.5969 9.6302 9.6302 10.5740 10.5740 10.9687 10.9687 11.3896 11.3896 11.6022 11.6022 k = 0.3908 0.4778-0.0000 ( 5974 PWs) bands (ev): -0.9337 -0.9337 -0.8371 -0.8371 -0.6575 -0.6575 -0.5642 -0.5642 4.0962 4.0962 4.6332 4.6332 4.7469 4.7469 5.1632 5.1632 5.6179 5.6179 5.7158 5.7158 5.9190 5.9190 6.0731 6.0731 6.1234 6.1234 6.3220 6.3220 6.5644 6.5644 6.8459 6.8459 9.6535 9.6535 9.7241 9.7241 10.6479 10.6479 10.9696 10.9696 11.3556 11.3556 11.5293 11.5293 k = 0.3851 0.4878-0.0000 ( 5966 PWs) bands (ev): -0.9130 -0.9130 -0.8301 -0.8301 -0.6508 -0.6508 -0.5722 -0.5722 4.1493 4.1493 4.6770 4.6770 4.7523 4.7523 5.1366 5.1366 5.5228 5.5228 5.6556 5.6556 5.9430 5.9430 6.0645 6.0645 6.1284 6.1284 6.3351 6.3351 6.5243 6.5243 6.8103 6.8103 9.7075 9.7075 9.8205 9.8205 10.7175 10.7175 10.9712 10.9712 11.3238 11.3238 11.4563 11.4563 k = 0.3793 0.4977-0.0000 ( 5958 PWs) bands (ev): -0.8932 -0.8932 -0.8235 -0.8235 -0.6447 -0.6447 -0.5796 -0.5796 4.2043 4.2043 4.7220 4.7220 4.7580 4.7580 5.1094 5.1094 5.4284 5.4284 5.5936 5.5936 5.9666 5.9666 6.0598 6.0598 6.1365 6.1365 6.3510 6.3510 6.4853 6.4853 6.7733 6.7733 9.7593 9.7593 9.9183 9.9183 10.7824 10.7824 10.9735 10.9735 11.2938 11.2938 11.3845 11.3845 k = 0.3736 0.5077-0.0000 ( 5966 PWs) bands (ev): -0.8744 -0.8744 -0.8173 -0.8173 -0.6395 -0.6395 -0.5861 -0.5861 4.2610 4.2610 4.7637 4.7637 4.7682 4.7682 5.0820 5.0820 5.3362 5.3362 5.5309 5.5309 5.9894 5.9894 6.0583 6.0583 6.1467 6.1467 6.3687 6.3687 6.4477 6.4477 6.7356 6.7356 9.8082 9.8082 10.0170 10.0170 10.8409 10.8409 10.9767 10.9767 11.2637 11.2637 11.3173 11.3173 k = 0.3678 0.5176-0.0000 ( 5970 PWs) bands (ev): -0.8572 -0.8572 -0.8116 -0.8116 -0.6353 -0.6353 -0.5913 -0.5913 4.3191 4.3191 4.7689 4.7689 4.8152 4.8152 5.0550 5.0550 5.2478 5.2478 5.4684 5.4684 6.0109 6.0109 6.0597 6.0597 6.1585 6.1585 6.3873 6.3873 6.4120 6.4120 6.6977 6.6977 9.8536 9.8536 10.1166 10.1166 10.8896 10.8896 10.9816 10.9816 11.2259 11.2259 11.2654 11.2654 k = 0.3621 0.5276-0.0000 ( 5972 PWs) bands (ev): -0.8420 -0.8420 -0.8065 -0.8065 -0.6323 -0.6323 -0.5949 -0.5949 4.3785 4.3785 4.7727 4.7727 4.8631 4.8631 5.0288 5.0288 5.1652 5.1652 5.4066 5.4066 6.0306 6.0306 6.0632 6.0632 6.1713 6.1713 6.3773 6.3773 6.4076 6.4076 6.6602 6.6602 9.8943 9.8943 10.2165 10.2165 10.9189 10.9189 10.9904 10.9904 11.1810 11.1810 11.2357 11.2357 k = 0.3563 0.5375-0.0000 ( 5972 PWs) bands (ev): -0.8291 -0.8291 -0.8022 -0.8022 -0.6306 -0.6306 -0.5969 -0.5969 4.4386 4.4386 4.7731 4.7731 4.9110 4.9110 5.0039 5.0039 5.0916 5.0916 5.3460 5.3460 6.0480 6.0480 6.0681 6.0681 6.1850 6.1850 6.3459 6.3459 6.4272 6.4272 6.6238 6.6238 9.9293 9.9293 10.3163 10.3163 10.9171 10.9171 10.9994 10.9994 11.1576 11.1576 11.2156 11.2156 k = 0.3506 0.5475-0.0000 ( 5966 PWs) bands (ev): -0.8190 -0.8190 -0.7987 -0.7987 -0.6299 -0.6299 -0.5974 -0.5974 4.4989 4.4989 4.7666 4.7666 4.9529 4.9529 4.9853 4.9853 5.0328 5.0328 5.2870 5.2870 6.0624 6.0624 6.0738 6.0738 6.1994 6.1994 6.3172 6.3172 6.4470 6.4470 6.5896 6.5896 9.9575 9.9575 10.4150 10.4150 10.8831 10.8831 11.0009 11.0009 11.1683 11.1683 11.2021 11.2021 k = 0.3448 0.5574-0.0000 ( 5966 PWs) bands (ev): -0.8119 -0.8119 -0.7961 -0.7961 -0.6295 -0.6295 -0.5971 -0.5971 4.5585 4.5585 4.7479 4.7479 4.9453 4.9453 4.9949 4.9949 5.0173 5.0173 5.2300 5.2300 6.0733 6.0733 6.0792 6.0792 6.2142 6.2142 6.2918 6.2918 6.4664 6.4664 6.5586 6.5586 9.9781 9.9781 10.5112 10.5112 10.8265 10.8265 11.0001 11.0001 11.1782 11.1782 11.2153 11.2153 k = 0.3391 0.5674-0.0000 ( 5966 PWs) bands (ev): -0.8078 -0.8078 -0.7944 -0.7944 -0.6292 -0.6292 -0.5966 -0.5966 4.6156 4.6156 4.7141 4.7141 4.9282 4.9282 4.9763 4.9763 5.0654 5.0654 5.1759 5.1759 6.0802 6.0802 6.0831 6.0831 6.2287 6.2287 6.2710 6.2710 6.4843 6.4843 6.5329 6.5329 9.9905 9.9905 10.6015 10.6015 10.7598 10.7598 11.0000 11.0000 11.1717 11.1717 11.2564 11.2564 k = 0.3333 0.5774-0.0000 ( 5976 PWs) bands (ev): -0.8065 -0.8065 -0.7939 -0.7939 -0.6291 -0.6291 -0.5963 -0.5963 4.6616 4.6616 4.6751 4.6751 4.9224 4.9224 4.9706 4.9706 5.1021 5.1021 5.1374 5.1374 6.0829 6.0829 6.0843 6.0843 6.2375 6.2375 6.2601 6.2601 6.4943 6.4943 6.5200 6.5200 9.9945 9.9945 10.6666 10.6666 10.7035 10.7035 11.0001 11.0001 11.1683 11.1683 11.2888 11.2888 k = 0.3333 0.5774-0.0000 ( 5976 PWs) bands (ev): -0.8065 -0.8065 -0.7939 -0.7939 -0.6291 -0.6291 -0.5963 -0.5963 4.6616 4.6616 4.6751 4.6751 4.9224 4.9224 4.9706 4.9706 5.1021 5.1021 5.1374 5.1374 6.0829 6.0829 6.0843 6.0843 6.2375 6.2375 6.2601 6.2601 6.4943 6.4943 6.5200 6.5200 9.9945 9.9945 10.6666 10.6666 10.7035 10.7035 11.0001 11.0001 11.1683 11.1683 11.2888 11.2888 k = 0.3275 0.5672-0.0000 ( 5968 PWs) bands (ev): -0.8077 -0.8077 -0.7945 -0.7945 -0.6294 -0.6294 -0.5967 -0.5967 4.6174 4.6174 4.7124 4.7124 4.9282 4.9282 4.9764 4.9764 5.0654 5.0654 5.1759 5.1759 6.0800 6.0800 6.0831 6.0831 6.2294 6.2294 6.2701 6.2701 6.4872 6.4872 6.5304 6.5304 9.9905 9.9905 10.6068 10.6068 10.7511 10.7511 10.9997 10.9997 11.1734 11.1734 11.2615 11.2615 k = 0.3216 0.5571-0.0000 ( 5960 PWs) bands (ev): -0.8111 -0.8111 -0.7964 -0.7964 -0.6305 -0.6305 -0.5980 -0.5980 4.5679 4.5679 4.7414 4.7414 4.9442 4.9442 4.9942 4.9942 5.0196 5.0196 5.2285 5.2285 6.0727 6.0727 6.0784 6.0784 6.2171 6.2171 6.2873 6.2873 6.4809 6.4809 6.5470 6.5470 9.9790 9.9790 10.5314 10.5314 10.7830 10.7830 10.9973 10.9973 11.1846 11.1846 11.2474 11.2474 k = 0.3158 0.5470-0.0000 ( 5970 PWs) bands (ev): -0.8162 -0.8162 -0.7996 -0.7996 -0.6329 -0.6329 -0.6005 -0.6005 4.5219 4.5219 4.7558 4.7558 4.9558 4.9558 4.9826 4.9826 5.0309 5.0309 5.2825 5.2825 6.0621 6.0621 6.0703 6.0703 6.2043 6.2043 6.3062 6.3062 6.4814 6.4814 6.5640 6.5640 9.9610 9.9610 10.4556 10.4556 10.7796 10.7796 10.9927 10.9927 11.1809 11.1809 11.2855 11.2855 k = 0.3099 0.5368-0.0000 ( 5964 PWs) bands (ev): -0.8227 -0.8227 -0.8043 -0.8043 -0.6368 -0.6368 -0.6046 -0.6046 4.4810 4.4810 4.7602 4.7602 4.9229 4.9229 4.9954 4.9954 5.0801 5.0801 5.3371 5.3371 6.0488 6.0488 6.0604 6.0604 6.1903 6.1903 6.3264 6.3264 6.4892 6.4892 6.5804 6.5804 9.9378 9.9378 10.3803 10.3803 10.7472 10.7472 10.9869 10.9869 11.1721 11.1721 11.3584 11.3584 k = 0.3041 0.5267-0.0000 ( 5960 PWs) bands (ev): -0.8304 -0.8304 -0.8104 -0.8104 -0.6424 -0.6424 -0.6105 -0.6105 4.4463 4.4463 4.7596 4.7596 4.8834 4.8834 5.0177 5.0177 5.1387 5.1387 5.3923 5.3923 6.0333 6.0333 6.0504 6.0504 6.1739 6.1739 6.3475 6.3475 6.5034 6.5034 6.5962 6.5962 9.9106 9.9106 10.3062 10.3062 10.6963 10.6963 10.9806 10.9806 11.1659 11.1659 11.4456 11.4456 k = 0.2982 0.5166-0.0000 ( 5956 PWs) bands (ev): -0.8391 -0.8391 -0.8181 -0.8181 -0.6499 -0.6499 -0.6184 -0.6184 4.4184 4.4184 4.7569 4.7569 4.8460 4.8460 5.0417 5.0417 5.2021 5.2021 5.4477 5.4477 6.0166 6.0166 6.0413 6.0413 6.1544 6.1544 6.3695 6.3695 6.5231 6.5231 6.6112 6.6112 9.8804 9.8804 10.2337 10.2337 10.6349 10.6349 10.9736 10.9736 11.1621 11.1621 11.5324 11.5324 k = 0.2924 0.5064-0.0000 ( 5964 PWs) bands (ev): -0.8488 -0.8488 -0.8273 -0.8273 -0.6592 -0.6592 -0.6285 -0.6285 4.3977 4.3977 4.7537 4.7537 4.8116 4.8116 5.0672 5.0672 5.2679 5.2679 5.5034 5.5034 5.9999 5.9999 6.0337 6.0337 6.1314 6.1314 6.3925 6.3925 6.5472 6.5472 6.6256 6.6256 9.8482 9.8482 10.1630 10.1630 10.5676 10.5676 10.9656 10.9656 11.1599 11.1599 11.5635 11.5635 k = 0.2865 0.4963-0.0000 ( 5968 PWs) bands (ev): -0.8595 -0.8595 -0.8382 -0.8382 -0.6704 -0.6704 -0.6406 -0.6406 4.3845 4.3845 4.7507 4.7507 4.7804 4.7804 5.0941 5.0941 5.3345 5.3345 5.5592 5.5592 5.9844 5.9844 6.0275 6.0275 6.1049 6.1049 6.4162 6.4162 6.5748 6.5748 6.6394 6.6394 9.8151 9.8151 10.0945 10.0945 10.4969 10.4969 10.9560 10.9560 11.1582 11.1582 11.5681 11.5681 k = 0.2807 0.4862-0.0000 ( 5966 PWs) bands (ev): -0.8716 -0.8716 -0.8506 -0.8506 -0.6835 -0.6835 -0.6547 -0.6547 4.3790 4.3790 4.7480 4.7480 4.7528 4.7528 5.1222 5.1222 5.4010 5.4010 5.6148 5.6148 5.9709 5.9709 6.0217 6.0217 6.0764 6.0764 6.4407 6.4407 6.6049 6.6049 6.6531 6.6531 9.7816 9.7816 10.0284 10.0284 10.4244 10.4244 10.9444 10.9444 11.1565 11.1565 11.5729 11.5729 k = 0.2749 0.4761-0.0000 ( 5958 PWs) bands (ev): -0.8855 -0.8855 -0.8647 -0.8647 -0.6983 -0.6983 -0.6704 -0.6704 4.3813 4.3813 4.7274 4.7274 4.7475 4.7475 5.1515 5.1515 5.4668 5.4668 5.6699 5.6699 5.9605 5.9605 6.0101 6.0101 6.0525 6.0525 6.4660 6.4660 6.6359 6.6359 6.6677 6.6677 9.7485 9.7485 9.9651 9.9651 10.3509 10.3509 10.9301 10.9301 11.1539 11.1539 11.5791 11.5791 k = 0.2690 0.4659-0.0000 ( 5962 PWs) bands (ev): -0.9016 -0.9016 -0.8805 -0.8805 -0.7144 -0.7144 -0.6873 -0.6873 4.3913 4.3913 4.7061 4.7061 4.7471 4.7471 5.1818 5.1818 5.5312 5.5312 5.7234 5.7234 5.9536 5.9536 5.9824 5.9824 6.0445 6.0445 6.4918 6.4918 6.6626 6.6626 6.6879 6.6879 9.7163 9.7163 9.9048 9.9048 10.2770 10.2770 10.9124 10.9124 11.1500 11.1500 11.5869 11.5869 k = 0.2632 0.4558-0.0000 ( 5958 PWs) bands (ev): -0.9207 -0.9207 -0.8979 -0.8979 -0.7314 -0.7314 -0.7052 -0.7052 4.4090 4.4090 4.6882 4.6882 4.7478 4.7478 5.2132 5.2132 5.5937 5.5937 5.7728 5.7728 5.9457 5.9457 5.9513 5.9513 6.0480 6.0480 6.5181 6.5181 6.6798 6.6798 6.7188 6.7188 9.6856 9.6856 9.8479 9.8479 10.2031 10.2031 10.8906 10.8906 11.1440 11.1440 11.5960 11.5960 k = 0.2573 0.4457-0.0000 ( 5952 PWs) bands (ev): -0.9435 -0.9435 -0.9169 -0.9169 -0.7486 -0.7486 -0.7237 -0.7237 4.4344 4.4344 4.6738 4.6738 4.7494 4.7494 5.2453 5.2453 5.6537 5.6537 5.8068 5.8068 5.9176 5.9176 5.9533 5.9533 6.0577 6.0577 6.5449 6.5449 6.6926 6.6926 6.7549 6.7549 9.6566 9.6566 9.7944 9.7944 10.1295 10.1295 10.8640 10.8640 11.1354 11.1354 11.6066 11.6066 k = 0.2515 0.4355-0.0000 ( 5946 PWs) bands (ev): -0.9708 -0.9708 -0.9374 -0.9374 -0.7659 -0.7659 -0.7420 -0.7420 4.4671 4.4671 4.6628 4.6628 4.7521 4.7521 5.2783 5.2783 5.7106 5.7106 5.7964 5.7964 5.9271 5.9271 5.9608 5.9608 6.0728 6.0728 6.5719 6.5719 6.7042 6.7042 6.7930 6.7930 9.6297 9.6297 9.7448 9.7448 10.0565 10.0565 10.8322 10.8322 11.1237 11.1237 11.6185 11.6185 k = 0.2456 0.4254-0.0000 ( 5952 PWs) bands (ev): -1.0029 -1.0029 -0.9595 -0.9595 -0.7839 -0.7839 -0.7590 -0.7590 4.5070 4.5070 4.6554 4.6554 4.7558 4.7558 5.3118 5.3118 5.7499 5.7499 5.7651 5.7651 5.9642 5.9642 5.9745 5.9745 6.0944 6.0944 6.5990 6.5990 6.7155 6.7155 6.8319 6.8319 9.6054 9.6054 9.6993 9.6993 9.9842 9.9842 10.7951 10.7951 11.1084 11.1084 11.6316 11.6316 k = 0.2398 0.4153-0.0000 ( 5950 PWs) bands (ev): -1.0396 -1.0396 -0.9830 -0.9830 -0.8038 -0.8038 -0.7730 -0.7730 4.5539 4.5539 4.6514 4.6514 4.7606 4.7606 5.3458 5.3458 5.6932 5.6932 5.8137 5.8137 5.9919 5.9919 6.0073 6.0073 6.1236 6.1236 6.6261 6.6261 6.7268 6.7268 6.8711 6.8711 9.5837 9.5837 9.6581 9.6581 9.9128 9.9128 10.7528 10.7528 11.0891 11.0891 11.6456 11.6456 k = 0.2339 0.4052-0.0000 ( 5950 PWs) bands (ev): -1.0808 -1.0808 -1.0080 -1.0080 -0.8261 -0.8261 -0.7836 -0.7836 4.6075 4.6075 4.6508 4.6508 4.7663 4.7663 5.3801 5.3801 5.6303 5.6303 5.8591 5.8591 6.0167 6.0167 6.0455 6.0455 6.1616 6.1616 6.6530 6.6530 6.7385 6.7385 6.9104 6.9104 9.5650 9.5650 9.6215 9.6215 9.8424 9.8424 10.7058 10.7058 11.0657 11.0657 11.6571 11.6571 k = 0.2281 0.3950-0.0000 ( 5950 PWs) bands (ev): -1.1259 -1.1259 -1.0343 -1.0343 -0.8505 -0.8505 -0.7913 -0.7913 4.6536 4.6536 4.6674 4.6674 4.7733 4.7733 5.4143 5.4143 5.5639 5.5639 5.9011 5.9011 6.0460 6.0460 6.0804 6.0804 6.2072 6.2072 6.6794 6.6794 6.7508 6.7508 6.9493 6.9493 9.5494 9.5494 9.5896 9.5896 9.7732 9.7732 10.6548 10.6548 11.0381 11.0381 11.6437 11.6437 k = 0.2222 0.3849-0.0000 ( 5934 PWs) bands (ev): -1.1743 -1.1743 -1.0618 -1.0618 -0.8765 -0.8765 -0.7967 -0.7967 4.6599 4.6599 4.7332 4.7332 4.7814 4.7814 5.4464 5.4464 5.4968 5.4968 5.9409 5.9409 6.0785 6.0785 6.1134 6.1134 6.2582 6.2582 6.7052 6.7052 6.7639 6.7639 6.9876 6.9876 9.5370 9.5370 9.5627 9.5627 9.7054 9.7054 10.6004 10.6004 11.0064 11.0064 11.6058 11.6058 k = 0.2164 0.3748-0.0000 ( 5942 PWs) bands (ev): -1.2256 -1.2256 -1.0905 -1.0905 -0.9037 -0.9037 -0.8003 -0.8003 4.6695 4.6695 4.7899 4.7899 4.8056 4.8056 5.4174 5.4174 5.4883 5.4883 5.9797 5.9797 6.1125 6.1125 6.1465 6.1465 6.3123 6.3123 6.7301 6.7301 6.7780 6.7780 7.0251 7.0251 9.5275 9.5275 9.5409 9.5409 9.6396 9.6396 10.5437 10.5437 10.9708 10.9708 11.5640 11.5640 k = 0.2105 0.3646-0.0000 ( 5938 PWs) bands (ev): -1.2792 -1.2792 -1.1202 -1.1202 -0.9321 -0.9321 -0.8024 -0.8024 4.6823 4.6823 4.8011 4.8011 4.8819 4.8819 5.3449 5.3449 5.5214 5.5214 6.0185 6.0185 6.1467 6.1467 6.1807 6.1807 6.3682 6.3682 6.7539 6.7539 6.7934 6.7934 7.0616 7.0616 9.5195 9.5195 9.5235 9.5235 9.5782 9.5782 10.4854 10.4854 10.9316 10.9316 11.5216 11.5216 k = 0.2047 0.3545-0.0000 ( 5932 PWs) bands (ev): -1.3346 -1.3346 -1.1509 -1.1509 -0.9615 -0.9615 -0.8031 -0.8031 4.6983 4.6983 4.8132 4.8132 4.9636 4.9636 5.2695 5.2695 5.5557 5.5557 6.0580 6.0580 6.1801 6.1801 6.2166 6.2166 6.4251 6.4251 6.7764 6.7764 6.8103 6.8103 7.0971 7.0971 9.4939 9.4939 9.5111 9.5111 9.5399 9.5399 10.4264 10.4264 10.8893 10.8893 11.4800 11.4800 k = 0.1988 0.3444-0.0000 ( 5936 PWs) bands (ev): -1.3916 -1.3916 -1.1825 -1.1825 -0.9917 -0.9917 -0.8028 -0.8028 4.7173 4.7173 4.8268 4.8268 5.0496 5.0496 5.1927 5.1927 5.5900 5.5900 6.0979 6.0979 6.2124 6.2124 6.2546 6.2546 6.4825 6.4825 6.7975 6.7975 6.8288 6.8288 7.1315 7.1315 9.4384 9.4384 9.5053 9.5053 9.5358 9.5358 10.3677 10.3677 10.8442 10.8442 11.4340 11.4350 k = 0.1930 0.3343-0.0000 ( 5924 PWs) bands (ev): -1.4497 -1.4497 -1.2148 -1.2148 -1.0226 -1.0226 -0.8014 -0.8014 4.7393 4.7393 4.8420 4.8420 5.1144 5.1144 5.1401 5.1401 5.6243 5.6243 6.1378 6.1378 6.2437 6.2437 6.2947 6.2947 6.5401 6.5401 6.8173 6.8173 6.8486 6.8486 7.1650 7.1650 9.3789 9.3789 9.5042 9.5042 9.5416 9.5416 10.3099 10.3099 10.7968 10.7968 11.3370 11.3370 k = 0.1871 0.3241-0.0000 ( 5936 PWs) bands (ev): -1.5085 -1.5085 -1.2477 -1.2477 -1.0542 -1.0542 -0.7992 -0.7992 4.7642 4.7642 4.8587 4.8587 5.0365 5.0365 5.2330 5.2330 5.6587 5.6587 6.1762 6.1762 6.2749 6.2749 6.3370 6.3370 6.5977 6.5977 6.8358 6.8358 6.8698 6.8698 7.1976 7.1976 9.3200 9.3200 9.5080 9.5080 9.5527 9.5527 10.2538 10.2538 10.7477 10.7477 11.2395 11.2395 k = 0.1813 0.3140-0.0000 ( 5946 PWs) bands (ev): -1.5678 -1.5678 -1.2811 -1.2811 -1.0863 -1.0863 -0.7962 -0.7962 4.7916 4.7916 4.8770 4.8770 4.9582 4.9582 5.3284 5.3284 5.6936 5.6936 6.2111 6.2111 6.3077 6.3077 6.3813 6.3813 6.6552 6.6552 6.8531 6.8531 6.8924 6.8924 7.2296 7.2296 9.2626 9.2626 9.5166 9.5166 9.5684 9.5684 10.1999 10.1999 10.6974 10.6974 11.1423 11.1423 k = 0.1754 0.3039-0.0000 ( 5946 PWs) bands (ev): -1.6273 -1.6273 -1.3149 -1.3149 -1.1188 -1.1188 -0.7924 -0.7924 4.8204 4.8204 4.8811 4.8811 4.8970 4.8970 5.4247 5.4247 5.7301 5.7301 6.2404 6.2404 6.3439 6.3439 6.4275 6.4275 6.7125 6.7125 6.8690 6.8690 6.9167 6.9167 7.2614 7.2614 9.2069 9.2069 9.5297 9.5297 9.5884 9.5884 10.1490 10.1490 10.6464 10.6464 11.0461 11.0461 k = 0.1696 0.2937-0.0000 ( 5932 PWs) bands (ev): -1.6867 -1.6867 -1.3489 -1.3489 -1.1515 -1.1515 -0.7880 -0.7880 4.7978 4.7978 4.8582 4.8582 4.9186 4.9186 5.5193 5.5193 5.7703 5.7703 6.2630 6.2630 6.3838 6.3838 6.4753 6.4753 6.7695 6.7695 6.8832 6.8832 6.9427 6.9427 7.2935 7.2935 9.1529 9.1529 9.5470 9.5470 9.6124 9.6124 10.1015 10.1015 10.5952 10.5952 10.9512 10.9512 k = 0.1637 0.2836-0.0000 ( 5926 PWs) bands (ev): -1.7458 -1.7458 -1.3831 -1.3831 -1.1845 -1.1845 -0.7831 -0.7831 4.7215 4.7215 4.8918 4.8918 4.9417 4.9417 5.6073 5.6073 5.8184 5.8184 6.2795 6.2795 6.4264 6.4264 6.5242 6.5242 6.8264 6.8264 6.8960 6.8960 6.9706 6.9706 7.3266 7.3266 9.1010 9.1010 9.5682 9.5682 9.6405 9.6405 10.0580 10.0580 10.5443 10.5443 10.8579 10.8579 k = 0.1579 0.2735-0.0000 ( 5926 PWs) bands (ev): -1.8044 -1.8044 -1.4173 -1.4173 -1.2175 -1.2175 -0.7776 -0.7776 4.6448 4.6448 4.9289 4.9289 4.9664 4.9664 5.6817 5.6817 5.8812 5.8812 6.2911 6.2911 6.4702 6.4702 6.5739 6.5739 6.8815 6.8815 6.9089 6.9089 7.0006 7.0006 7.3613 7.3613 9.0511 9.0511 9.5930 9.5930 9.6722 9.6722 10.0187 10.0187 10.4943 10.4943 10.7664 10.7664 k = 0.1520 0.2634-0.0000 ( 5918 PWs) bands (ev): -1.8623 -1.8623 -1.4514 -1.4514 -1.2504 -1.2504 -0.7717 -0.7717 4.5688 4.5688 4.9681 4.9681 4.9924 4.9924 5.7382 5.7382 5.9623 5.9623 6.2986 6.2986 6.5138 6.5138 6.6237 6.6237 6.9112 6.9112 6.9462 6.9462 7.0326 7.0326 7.3985 7.3985 9.0034 9.0034 9.6209 9.6209 9.7074 9.7074 9.9843 9.9843 10.4456 10.4456 10.6772 10.6772 k = 0.1462 0.2532-0.0000 ( 5912 PWs) bands (ev): -1.9192 -1.9192 -1.4853 -1.4853 -1.2832 -1.2832 -0.7654 -0.7654 4.4940 4.4940 5.0092 5.0092 5.0196 5.0196 5.7801 5.7801 6.0578 6.0578 6.3028 6.3028 6.5560 6.5560 6.6728 6.6728 6.9201 6.9201 7.0038 7.0038 7.0668 7.0668 7.4388 7.4388 8.9579 8.9579 9.6515 9.6515 9.7457 9.7457 9.9550 9.9550 10.3988 10.3988 10.5904 10.5904 k = 0.1404 0.2431-0.0000 ( 5916 PWs) bands (ev): -1.9751 -1.9751 -1.5189 -1.5189 -1.3157 -1.3157 -0.7588 -0.7588 4.4205 4.4205 5.0480 5.0480 5.0519 5.0519 5.8134 5.8134 6.1613 6.1613 6.3042 6.3042 6.5960 6.5960 6.7206 6.7206 6.9263 6.9263 7.0642 7.0642 7.1034 7.1034 7.4830 7.4830 8.9149 8.9149 9.6844 9.6844 9.7867 9.7867 9.9314 9.9314 10.3543 10.3543 10.5061 10.5061 k = 0.1345 0.2330-0.0000 ( 5922 PWs) bands (ev): -2.0297 -2.0297 -1.5520 -1.5520 -1.3478 -1.3478 -0.7519 -0.7519 4.3487 4.3487 5.0772 5.0772 5.0960 5.0960 5.8415 5.8415 6.2681 6.2681 6.3032 6.3032 6.6332 6.6332 6.7661 6.7661 6.9310 6.9310 7.1258 7.1258 7.1439 7.1439 7.5319 7.5319 8.8743 8.8743 9.7190 9.7190 9.8291 9.8291 9.9144 9.9144 10.3126 10.3126 10.4247 10.4247 k = 0.1287 0.2228-0.0000 ( 5934 PWs) bands (ev): -2.0829 -2.0829 -1.5846 -1.5846 -1.3794 -1.3794 -0.7448 -0.7448 4.2786 4.2786 5.1071 5.1071 5.1411 5.1411 5.8666 5.8666 6.3002 6.3002 6.3753 6.3753 6.6673 6.6673 6.8086 6.8086 6.9346 6.9346 7.1795 7.1795 7.1983 7.1983 7.5857 7.5857 8.8364 8.8364 9.7549 9.7549 9.8674 9.8674 9.9095 9.9095 10.2743 10.2743 10.3462 10.3462 k = 0.1228 0.2127-0.0000 ( 5930 PWs) bands (ev): -2.1347 -2.1347 -1.6165 -1.6165 -1.4105 -1.4105 -0.7375 -0.7375 4.2105 4.2105 5.1375 5.1375 5.1871 5.1871 5.8894 5.8894 6.2956 6.2956 6.4805 6.4805 6.6983 6.6983 6.8475 6.8475 6.9374 6.9374 7.2265 7.2265 7.2667 7.2667 7.6449 7.6449 8.8012 8.8012 9.7912 9.7912 9.8806 9.8806 9.9375 9.9375 10.2396 10.2396 10.2709 10.2709 k = 0.1170 0.2026-0.0000 ( 5946 PWs) bands (ev): -2.1847 -2.1847 -1.6476 -1.6476 -1.4408 -1.4408 -0.7302 -0.7302 4.1444 4.1444 5.1680 5.1680 5.2337 5.2337 5.9107 5.9107 6.2895 6.2895 6.5815 6.5815 6.7264 6.7264 6.8823 6.8823 6.9396 6.9396 7.2768 7.2768 7.3402 7.3402 7.7093 7.7093 8.7690 8.7690 9.8266 9.8266 9.8836 9.8836 9.9839 9.9839 10.1984 10.1984 10.2096 10.2096 k = 0.1111 0.1925-0.0000 ( 5954 PWs) bands (ev): -2.2330 -2.2330 -1.6779 -1.6779 -1.4703 -1.4703 -0.7227 -0.7227 4.0807 4.0807 5.1984 5.1984 5.2805 5.2805 5.9308 5.9308 6.2823 6.2823 6.6757 6.6757 6.7523 6.7523 6.9126 6.9126 6.9417 6.9417 7.3327 7.3327 7.4180 7.4180 7.7789 7.7789 8.7398 8.7398 9.8570 9.8570 9.8940 9.8940 10.0336 10.0336 10.1307 10.1307 10.1834 10.1834 k = 0.1053 0.1823-0.0000 ( 5940 PWs) bands (ev): -2.2794 -2.2794 -1.7072 -1.7072 -1.4989 -1.4989 -0.7153 -0.7153 4.0194 4.0194 5.2285 5.2285 5.3272 5.3272 5.9498 5.9498 6.2742 6.2742 6.7581 6.7581 6.7791 6.7791 6.9367 6.9367 6.9458 6.9458 7.3956 7.3956 7.5001 7.5001 7.8533 7.8533 8.7141 8.7141 9.8760 9.8760 9.9189 9.9189 10.0588 10.0588 10.0922 10.0922 10.1623 10.1623 k = 0.0994 0.1722-0.0000 ( 5932 PWs) bands (ev): -2.3238 -2.3238 -1.7355 -1.7355 -1.5266 -1.5266 -0.7080 -0.7080 3.9606 3.9606 5.2578 5.2578 5.3735 5.3735 5.9680 5.9680 6.2655 6.2655 6.7951 6.7951 6.8393 6.8393 6.9437 6.9437 6.9632 6.9632 7.4664 7.4664 7.5861 7.5861 7.9322 7.9322 8.6921 8.6921 9.8892 9.8892 9.9514 9.9514 10.0030 10.0030 10.1357 10.1357 10.1510 10.1510 k = 0.0936 0.1621-0.0000 ( 5930 PWs) bands (ev): -2.3661 -2.3661 -1.7626 -1.7626 -1.5531 -1.5531 -0.7008 -0.7008 3.9045 3.9045 5.2862 5.2862 5.4191 5.4191 5.9854 5.9854 6.2561 6.2561 6.8171 6.8171 6.9015 6.9015 6.9469 6.9469 6.9814 6.9814 7.5449 7.5449 7.6760 7.6760 8.0151 8.0151 8.6743 8.6743 9.8974 9.8974 9.9497 9.9497 9.9885 9.9885 10.1328 10.1328 10.1950 10.1950 k = 0.0877 0.1519-0.0000 ( 5930 PWs) bands (ev): -2.4063 -2.4063 -1.7886 -1.7886 -1.5785 -1.5785 -0.6937 -0.6937 3.8512 3.8512 5.3134 5.3134 5.4635 5.4635 6.0022 6.0022 6.2465 6.2465 6.8383 6.8383 6.9438 6.9438 6.9595 6.9595 6.9966 6.9966 7.6298 7.6298 7.7696 7.7696 8.1015 8.1015 8.6614 8.6614 9.8730 9.8730 9.9377 9.9377 10.0213 10.0213 10.1267 10.1267 10.2469 10.2469 k = 0.0819 0.1418-0.0000 ( 5931 PWs) bands (ev): -2.4442 -2.4442 -1.8132 -1.8132 -1.6026 -1.6026 -0.6868 -0.6868 3.8008 3.8008 5.3390 5.3390 5.5065 5.5065 6.0182 6.0182 6.2367 6.2367 6.8596 6.8596 6.9508 6.9508 6.9977 6.9977 7.0087 7.0087 7.7186 7.7186 7.8665 7.8665 8.1909 8.1909 8.6545 8.6545 9.8260 9.8260 9.9527 9.9527 10.0530 10.0530 10.1252 10.1252 10.2985 10.2985 k = 0.0760 0.1317-0.0000 ( 5939 PWs) bands (ev): -2.4798 -2.4798 -1.8364 -1.8364 -1.6254 -1.6254 -0.6802 -0.6802 3.7535 3.7535 5.3630 5.3630 5.5477 5.5477 6.0337 6.0337 6.2268 6.2268 6.8813 6.8813 6.9554 6.9554 7.0182 7.0182 7.0302 7.0302 7.8080 7.8080 7.9667 7.9667 8.2830 8.2830 8.6550 8.6550 9.7789 9.7789 9.9721 9.9721 10.0822 10.0822 10.1282 10.1282 10.3488 10.3488 k = 0.0702 0.1215-0.0000 ( 5939 PWs) bands (ev): -2.5130 -2.5130 -1.8582 -1.8582 -1.6468 -1.6468 -0.6739 -0.6739 3.7093 3.7093 5.3852 5.3852 5.5867 5.5867 6.0485 6.0485 6.2170 6.2170 6.9037 6.9037 6.9607 6.9607 7.0254 7.0254 7.0556 7.0556 7.8941 7.8941 8.0700 8.0700 8.3772 8.3772 8.6649 8.6649 9.7344 9.7344 9.9918 9.9918 10.1074 10.1074 10.1358 10.1358 10.3973 10.3973 k = 0.0643 0.1114-0.0000 ( 5939 PWs) bands (ev): -2.5438 -2.5438 -1.8785 -1.8785 -1.6668 -1.6668 -0.6679 -0.6679 3.6683 3.6683 5.4054 5.4054 5.6233 5.6233 6.0625 6.0625 6.2075 6.2075 6.9268 6.9268 6.9669 6.9669 7.0307 7.0307 7.0749 7.0749 7.9731 7.9731 8.1760 8.1760 8.4731 8.4731 8.6865 8.6865 9.6932 9.6932 10.0099 10.0099 10.1263 10.1263 10.1483 10.1483 10.4434 10.4434 k = 0.0585 0.1013-0.0000 ( 5935 PWs) bands (ev): -2.5721 -2.5721 -1.8972 -1.8972 -1.6852 -1.6852 -0.6624 -0.6624 3.6305 3.6305 5.4235 5.4235 5.6572 5.6572 6.0758 6.0758 6.1983 6.1983 6.9505 6.9505 6.9739 6.9739 7.0343 7.0343 7.0894 7.0894 8.0411 8.0411 8.2847 8.2847 8.5701 8.5701 8.7221 8.7221 9.6554 9.6554 10.0240 10.0240 10.1385 10.1385 10.1636 10.1636 10.4864 10.4864 k = 0.0526 0.0912-0.0000 ( 5931 PWs) bands (ev): -2.5978 -2.5978 -1.9143 -1.9143 -1.7021 -1.7021 -0.6572 -0.6572 3.5962 3.5962 5.4396 5.4396 5.6882 5.6882 6.0883 6.0883 6.1896 6.1896 6.9741 6.9741 6.9821 6.9821 7.0367 7.0367 7.1000 7.1000 8.0958 8.0958 8.3958 8.3958 8.6679 8.6679 8.7730 8.7730 9.6212 9.6212 10.0315 10.0315 10.1448 10.1448 10.1761 10.1761 10.4744 10.4744 k = 0.0468 0.0810-0.0000 ( 5919 PWs) bands (ev): -2.6210 -2.6210 -1.9298 -1.9298 -1.7173 -1.7173 -0.6525 -0.6525 3.5652 3.5652 5.4537 5.4537 5.7160 5.7160 6.0998 6.0998 6.1814 6.1814 6.9889 6.9889 6.9994 6.9994 7.0381 7.0381 7.1075 7.1075 8.1368 8.1368 8.5092 8.5092 8.7658 8.7658 8.8384 8.8384 9.5905 9.5905 10.0290 10.0290 10.1426 10.1426 10.1813 10.1813 10.4275 10.4275 k = 0.0409 0.0709-0.0000 ( 5915 PWs) bands (ev): -2.6415 -2.6415 -1.9435 -1.9435 -1.7308 -1.7308 -0.6483 -0.6483 3.5378 3.5378 5.4659 5.4659 5.7407 5.7407 6.1103 6.1103 6.1739 6.1739 6.9977 6.9977 7.0222 7.0222 7.0391 7.0391 7.1126 7.1126 8.1658 8.1658 8.6245 8.6245 8.8635 8.8635 8.9156 8.9156 9.5633 9.5633 10.0129 10.0129 10.1267 10.1267 10.1739 10.1739 10.3941 10.3942 k = 0.0351 0.0608-0.0000 ( 5923 PWs) bands (ev): -2.6593 -2.6593 -1.9555 -1.9555 -1.7427 -1.7427 -0.6445 -0.6445 3.5139 3.5139 5.4761 5.4761 5.7620 5.7620 6.1197 6.1197 6.1673 6.1673 7.0061 7.0061 7.0371 7.0371 7.0465 7.0465 7.1158 7.1158 8.1854 8.1854 8.7414 8.7414 8.9606 8.9606 9.0006 9.0006 9.5399 9.5399 9.9798 9.9798 10.0931 10.0931 10.1483 10.1483 10.3775 10.3779 k = 0.0292 0.0506-0.0000 ( 5927 PWs) bands (ev): -2.6745 -2.6745 -1.9657 -1.9657 -1.7527 -1.7527 -0.6413 -0.6413 3.4937 3.4937 5.4845 5.4845 5.7801 5.7801 6.1279 6.1279 6.1615 6.1615 7.0140 7.0140 7.0378 7.0378 7.0659 7.0659 7.1177 7.1177 8.1982 8.1982 8.8595 8.8595 9.0565 9.0565 9.0892 9.0892 9.5201 9.5201 9.9281 9.9281 10.0438 10.0438 10.1027 10.1027 10.3748 10.3755 k = 0.0234 0.0405-0.0000 ( 5935 PWs) bands (ev): -2.6869 -2.6869 -1.9741 -1.9741 -1.7610 -1.7610 -0.6387 -0.6387 3.4770 3.4770 5.4913 5.4913 5.7947 5.7947 6.1346 6.1346 6.1567 6.1567 7.0211 7.0211 7.0376 7.0376 7.0835 7.0835 7.1188 7.1188 8.2063 8.2063 8.9784 8.9784 9.1501 9.1501 9.1775 9.1775 9.5041 9.5041 9.8586 9.8586 9.9836 9.9836 10.0426 10.0426 10.3519 10.3519 k = 0.0175 0.0304-0.0000 ( 5925 PWs) bands (ev): -2.6966 -2.6966 -1.9806 -1.9806 -1.7675 -1.7675 -0.6366 -0.6366 3.4640 3.4640 5.4964 5.4964 5.8061 5.8061 6.1398 6.1398 6.1530 6.1530 7.0269 7.0269 7.0374 7.0374 7.0979 7.0979 7.1195 7.1195 8.2113 8.2113 9.0973 9.0973 9.2390 9.2390 9.2612 9.2612 9.4922 9.4922 9.7740 9.7740 9.9178 9.9178 9.9771 9.9771 10.3313 10.3313 k = 0.0117 0.0203-0.0000 ( 5921 PWs) bands (ev): -2.7035 -2.7035 -1.9853 -1.9853 -1.7721 -1.7721 -0.6351 -0.6351 3.4547 3.4547 5.5000 5.5000 5.8142 5.8142 6.1433 6.1433 6.1507 6.1507 7.0309 7.0309 7.0375 7.0375 7.1082 7.1082 7.1202 7.1202 8.2142 8.2142 9.2151 9.2151 9.3182 9.3182 9.3348 9.3348 9.4847 9.4847 9.6783 9.6783 9.8527 9.8527 9.9153 9.9153 10.3138 10.3138 k = 0.0058 0.0101-0.0000 ( 5915 PWs) bands (ev): -2.7077 -2.7077 -1.9881 -1.9881 -1.7749 -1.7749 -0.6343 -0.6343 3.4492 3.4492 5.5022 5.5022 5.8190 5.8190 6.1447 6.1447 6.1500 6.1500 7.0329 7.0329 7.0381 7.0381 7.1136 7.1136 7.1216 7.1216 8.2157 8.2157 9.3277 9.3277 9.3783 9.3783 9.3889 9.3889 9.4811 9.4811 9.5781 9.5781 9.7994 9.7994 9.8682 9.8682 10.3021 10.3021 k = 0.0000 0.0000 0.0000 ( 5915 PWs) bands (ev): -2.7091 -2.7091 -1.9890 -1.9890 -1.7758 -1.7758 -0.6340 -0.6340 3.4473 3.4473 5.5029 5.5029 5.8207 5.8207 6.1449 6.1449 6.1500 6.1500 7.0333 7.0333 7.0384 7.0384 7.1149 7.1149 7.1225 7.1225 8.2162 8.2162 9.3869 9.3869 9.4097 9.4097 9.4285 9.4285 9.4613 9.4613 9.5155 9.5155 9.7772 9.7772 9.8498 9.8498 10.2980 10.2980 k = 0.0000 0.0000 0.0000 ( 5915 PWs) bands (ev): -2.7091 -2.7091 -1.9890 -1.9890 -1.7758 -1.7758 -0.6340 -0.6340 3.4473 3.4473 5.5029 5.5029 5.8207 5.8207 6.1449 6.1449 6.1500 6.1500 7.0333 7.0333 7.0384 7.0384 7.1149 7.1149 7.1225 7.1225 8.2162 8.2162 9.3869 9.3869 9.4097 9.4097 9.4285 9.4285 9.4613 9.4613 9.5155 9.5155 9.7772 9.7772 9.8498 9.8498 10.2980 10.2980 k = 0.0000 0.0000 0.0113 ( 5915 PWs) bands (ev): -2.7078 -2.7078 -2.0030 -2.0030 -1.7606 -1.7606 -0.6371 -0.6371 3.4520 3.4520 5.4581 5.4581 5.8661 5.8661 6.1463 6.1463 6.1514 6.1514 6.9939 6.9939 6.9996 6.9996 7.1569 7.1569 7.1639 7.1639 8.2088 8.2088 9.3758 9.3758 9.4112 9.4112 9.4249 9.4249 9.4464 9.4464 9.4831 9.4831 9.8110 9.8110 9.8712 9.8712 10.2931 10.2931 k = 0.0000 0.0000 0.0226 ( 5921 PWs) bands (ev): -2.7039 -2.7039 -2.0367 -2.0367 -1.7230 -1.7230 -0.6467 -0.6467 3.4660 3.4660 5.3622 5.3622 5.9641 5.9641 6.1505 6.1505 6.1556 6.1556 6.9323 6.9323 6.9383 6.9383 7.2262 7.2262 7.2329 7.2329 8.1870 8.1870 9.3262 9.3262 9.3719 9.3719 9.4157 9.4157 9.4321 9.4321 9.4607 9.4607 9.8775 9.8775 9.9191 9.9191 10.2788 10.2788 k = 0.0000 0.0000 0.0339 ( 5921 PWs) bands (ev): -2.6974 -2.6974 -2.0792 -2.0792 -1.6741 -1.6741 -0.6623 -0.6623 3.4891 3.4891 5.2505 5.2505 6.0794 6.0794 6.1574 6.1574 6.1625 6.1625 6.8701 6.8701 6.8762 6.8762 7.3012 7.3012 7.3078 7.3078 8.1516 8.1516 9.2429 9.2429 9.2744 9.2744 9.4232 9.4232 9.4333 9.4333 9.4734 9.4734 9.9376 9.9376 9.9657 9.9657 10.2562 10.2562 k = 0.0000 0.0000 0.0451 ( 5933 PWs) bands (ev): -2.6883 -2.6883 -2.1249 -2.1249 -1.6197 -1.6197 -0.6840 -0.6840 3.5212 3.5212 5.1340 5.1340 6.1671 6.1671 6.1723 6.1723 6.2009 6.2009 6.8096 6.8096 6.8157 6.8157 7.3797 7.3797 7.3861 7.3861 8.1035 8.1035 9.1457 9.1457 9.1676 9.1676 9.4336 9.4336 9.4416 9.4416 9.4955 9.4955 9.9700 9.9700 9.9896 9.9896 10.2267 10.2267 k = 0.0000 0.0000 0.0564 ( 5945 PWs) bands (ev): -2.6766 -2.6766 -2.1712 -2.1712 -1.5621 -1.5621 -0.7112 -0.7112 3.5619 3.5619 5.0163 5.0163 6.1796 6.1796 6.1848 6.1848 6.3249 6.3249 6.7513 6.7513 6.7574 6.7574 7.4611 7.4611 7.4672 7.4672 8.0443 8.0443 9.0424 9.0424 9.0578 9.0578 9.4470 9.4470 9.4541 9.4541 9.5229 9.5229 9.9689 9.9689 9.9838 9.9838 10.1917 10.1917 k = 0.0000 0.0000 0.0677 ( 5945 PWs) bands (ev): -2.6624 -2.6624 -2.2170 -2.2170 -1.5027 -1.5027 -0.7437 -0.7437 3.6107 3.6107 4.8991 4.8991 6.1948 6.1948 6.2000 6.2000 6.4499 6.4499 6.6956 6.6956 6.7016 6.7016 7.5450 7.5450 7.5510 7.5510 7.9750 7.9750 8.9364 8.9364 8.9472 8.9472 9.4633 9.4633 9.4701 9.4701 9.5545 9.5545 9.9444 9.9444 9.9566 9.9566 10.1527 10.1527 k = 0.0000 0.0000 0.0790 ( 5933 PWs) bands (ev): -2.6456 -2.6456 -2.2618 -2.2618 -1.4422 -1.4422 -0.7810 -0.7810 3.6674 3.6674 4.7832 4.7832 6.2128 6.2128 6.2181 6.2181 6.5750 6.5750 6.6423 6.6423 6.6483 6.6483 7.6315 7.6315 7.6372 7.6372 7.8970 7.8970 8.8294 8.8294 8.8367 8.8367 9.4825 9.4825 9.4893 9.4893 9.5891 9.5891 9.9080 9.9080 9.9185 9.9185 10.1108 10.1108 k = 0.0000 0.0000 0.0903 ( 5946 PWs) bands (ev): -2.6264 -2.6264 -2.3051 -2.3051 -1.3812 -1.3812 -0.8227 -0.8227 3.7314 3.7314 4.6692 4.6692 6.2336 6.2336 6.2389 6.2389 6.5917 6.5917 6.5976 6.5976 6.6995 6.6995 7.7204 7.7204 7.7259 7.7259 7.8113 7.8113 8.7223 8.7223 8.7269 8.7269 9.5045 9.5045 9.5116 9.5116 9.6260 9.6260 9.8668 9.8668 9.8757 9.8757 10.0670 10.0671 k = 0.0000 0.0000 0.1016 ( 5958 PWs) bands (ev): -2.6046 -2.6046 -2.3468 -2.3468 -1.3199 -1.3199 -0.8683 -0.8683 3.8021 3.8021 4.5577 4.5577 6.2571 6.2571 6.2625 6.2625 6.5437 6.5437 6.5496 6.5496 6.8230 6.8230 7.7188 7.7188 7.8117 7.8117 7.8168 7.8168 8.6157 8.6157 8.6182 8.6182 9.5294 9.5294 9.5367 9.5367 9.6643 9.6643 9.8246 9.8246 9.8314 9.8315 10.0222 10.0222 k = 0.0000 0.0000 0.1129 ( 5970 PWs) bands (ev): -2.5804 -2.5804 -2.3865 -2.3865 -1.2589 -1.2589 -0.9174 -0.9174 3.8793 3.8793 4.4490 4.4490 6.2834 6.2834 6.2888 6.2888 6.4984 6.4984 6.5042 6.5042 6.9450 6.9450 7.6206 7.6206 7.9053 7.9053 7.9099 7.9099 8.5101 8.5101 8.5109 8.5109 9.5571 9.5571 9.5648 9.5648 9.7018 9.7018 9.7850 9.7850 9.7875 9.7875 9.9767 9.9767 k = 0.0000 0.0000 0.1242 ( 5976 PWs) bands (ev): -2.5538 -2.5538 -2.4243 -2.4243 -1.1984 -1.1984 -0.9694 -0.9694 3.9623 3.9623 4.3435 4.3435 6.3124 6.3124 6.3179 6.3179 6.4558 6.4558 6.4615 6.4615 7.0651 7.0651 7.5172 7.5172 8.0011 8.0011 8.0052 8.0052 8.4052 8.4052 8.4058 8.4058 9.5873 9.5873 9.5957 9.5957 9.7195 9.7195 9.7449 9.7449 9.7678 9.7678 9.9313 9.9313 k = 0.0000 0.0000 0.1354 ( 5958 PWs) bands (ev): -2.5248 -2.5248 -2.4600 -2.4600 -1.1388 -1.1388 -1.0239 -1.0239 4.0506 4.0506 4.2417 4.2417 6.3441 6.3441 6.3497 6.3497 6.4158 6.4158 6.4215 6.4215 7.1829 7.1829 7.4094 7.4094 8.0991 8.0991 8.1026 8.1026 8.3012 8.3012 8.3030 8.3030 9.6201 9.6201 9.6293 9.6293 9.6908 9.6908 9.7041 9.7041 9.7997 9.7997 9.8862 9.8862 k = 0.0000 0.0000 0.1467 ( 5958 PWs) bands (ev): -2.4935 -2.4935 -2.4935 -2.4935 -1.0805 -1.0805 -1.0805 -1.0805 4.1439 4.1439 4.1439 4.1439 6.3786 6.3786 6.3786 6.3786 6.3842 6.3842 6.3842 6.3842 7.2978 7.2978 7.2978 7.2978 8.1992 8.1992 8.1992 8.1992 8.2019 8.2019 8.2019 8.2019 9.6549 9.6549 9.6549 9.6549 9.6655 9.6655 9.6655 9.6655 9.8419 9.8419 9.8419 9.8419 k = 0.0000 0.0000 0.1467 ( 5958 PWs) bands (ev): -2.4935 -2.4935 -2.4935 -2.4935 -1.0805 -1.0805 -1.0805 -1.0805 4.1439 4.1439 4.1439 4.1439 6.3786 6.3786 6.3786 6.3786 6.3842 6.3842 6.3842 6.3842 7.2978 7.2978 7.2978 7.2978 8.1992 8.1992 8.1992 8.1992 8.2019 8.2019 8.2019 8.2019 9.6549 9.6549 9.6549 9.6549 9.6655 9.6655 9.6655 9.6655 9.8419 9.8419 9.8419 9.8419 k = 0.0100 0.0058 0.1467 ( 5972 PWs) bands (ev): -2.4923 -2.4923 -2.4923 -2.4923 -1.0803 -1.0803 -1.0803 -1.0803 4.1447 4.1447 4.1447 4.1447 6.3784 6.3784 6.3784 6.3784 6.3841 6.3841 6.3841 6.3841 7.2963 7.2963 7.2963 7.2963 8.1909 8.1909 8.1909 8.1909 8.1995 8.1995 8.1995 8.1995 9.6522 9.6522 9.6522 9.6522 9.6652 9.6652 9.6652 9.6652 9.8508 9.8508 9.8508 9.8508 k = 0.0200 0.0115 0.1467 ( 5974 PWs) bands (ev): -2.4886 -2.4886 -2.4886 -2.4886 -1.0795 -1.0795 -1.0795 -1.0795 4.1472 4.1472 4.1472 4.1472 6.3768 6.3768 6.3768 6.3768 6.3845 6.3845 6.3845 6.3845 7.2918 7.2918 7.2918 7.2918 8.1645 8.1645 8.1645 8.1645 8.1951 8.1951 8.1951 8.1951 9.6430 9.6430 9.6430 9.6430 9.6645 9.6645 9.6645 9.6645 9.8779 9.8779 9.8779 9.8779 k = 0.0300 0.0173 0.1467 ( 5972 PWs) bands (ev): -2.4823 -2.4823 -2.4823 -2.4823 -1.0781 -1.0781 -1.0781 -1.0781 4.1513 4.1513 4.1513 4.1513 6.3732 6.3732 6.3732 6.3732 6.3862 6.3862 6.3862 6.3862 7.2840 7.2840 7.2840 7.2840 8.1229 8.1229 8.1229 8.1229 8.1882 8.1882 8.1882 8.1882 9.6249 9.6249 9.6249 9.6249 9.6638 9.6638 9.6638 9.6638 9.9234 9.9234 9.9234 9.9234 k = 0.0400 0.0231 0.1467 ( 5968 PWs) bands (ev): -2.4736 -2.4736 -2.4736 -2.4736 -1.0763 -1.0763 -1.0763 -1.0763 4.1571 4.1571 4.1571 4.1571 6.3677 6.3677 6.3677 6.3677 6.3891 6.3891 6.3891 6.3891 7.2722 7.2722 7.2722 7.2722 8.0697 8.0697 8.0697 8.0697 8.1784 8.1784 8.1784 8.1784 9.5972 9.5972 9.5972 9.5972 9.6641 9.6641 9.6641 9.6641 9.9850 9.9850 9.9850 9.9850 k = 0.0500 0.0289 0.1467 ( 5956 PWs) bands (ev): -2.4624 -2.4624 -2.4624 -2.4624 -1.0740 -1.0740 -1.0740 -1.0740 4.1644 4.1644 4.1644 4.1644 6.3605 6.3605 6.3605 6.3605 6.3928 6.3928 6.3928 6.3928 7.2556 7.2556 7.2556 7.2556 8.0087 8.0087 8.0087 8.0087 8.1660 8.1660 8.1660 8.1660 9.5607 9.5607 9.5607 9.5607 9.6656 9.6656 9.6656 9.6656 10.0594 10.0594 10.0594 10.0594 k = 0.0600 0.0346 0.1467 ( 5944 PWs) bands (ev): -2.4488 -2.4488 -2.4488 -2.4488 -1.0711 -1.0711 -1.0711 -1.0711 4.1734 4.1734 4.1734 4.1734 6.3517 6.3517 6.3517 6.3517 6.3974 6.3974 6.3974 6.3974 7.2331 7.2331 7.2331 7.2331 7.9436 7.9436 7.9436 7.9436 8.1510 8.1510 8.1510 8.1510 9.5166 9.5166 9.5166 9.5166 9.6690 9.6690 9.6690 9.6690 10.1431 10.1431 10.1431 10.1431 k = 0.0700 0.0404 0.1467 ( 5936 PWs) bands (ev): -2.4328 -2.4328 -2.4328 -2.4328 -1.0678 -1.0678 -1.0678 -1.0678 4.1840 4.1840 4.1840 4.1840 6.3416 6.3416 6.3416 6.3416 6.4027 6.4027 6.4027 6.4027 7.2033 7.2033 7.2033 7.2033 7.8780 7.8780 7.8780 7.8780 8.1334 8.1334 8.1334 8.1334 9.4662 9.4662 9.4662 9.4662 9.6748 9.6748 9.6748 9.6748 10.2330 10.2330 10.2330 10.2330 k = 0.0800 0.0462 0.1467 ( 5936 PWs) bands (ev): -2.4144 -2.4144 -2.4144 -2.4144 -1.0641 -1.0641 -1.0641 -1.0641 4.1961 4.1961 4.1961 4.1961 6.3301 6.3301 6.3301 6.3301 6.4086 6.4086 6.4086 6.4086 7.1649 7.1649 7.1649 7.1649 7.8147 7.8147 7.8147 7.8147 8.1134 8.1134 8.1134 8.1134 9.4107 9.4107 9.4107 9.4107 9.6833 9.6833 9.6833 9.6833 10.3261 10.3261 10.3261 10.3261 k = 0.0900 0.0520 0.1467 ( 5936 PWs) bands (ev): -2.3937 -2.3937 -2.3937 -2.3937 -1.0599 -1.0599 -1.0599 -1.0599 4.2097 4.2097 4.2097 4.2097 6.3175 6.3175 6.3175 6.3175 6.4150 6.4150 6.4150 6.4150 7.1166 7.1166 7.1166 7.1166 7.7562 7.7562 7.7562 7.7562 8.0913 8.0913 8.0913 8.0913 9.3512 9.3512 9.3512 9.3512 9.6950 9.6950 9.6950 9.6950 10.4200 10.4200 10.4200 10.4200 k = 0.1000 0.0577 0.1467 ( 5936 PWs) bands (ev): -2.3706 -2.3706 -2.3706 -2.3706 -1.0553 -1.0553 -1.0553 -1.0553 4.2248 4.2248 4.2248 4.2248 6.3038 6.3038 6.3038 6.3038 6.4218 6.4218 6.4218 6.4218 7.0580 7.0580 7.0580 7.0580 7.7040 7.7040 7.7040 7.7040 8.0673 8.0673 8.0673 8.0673 9.2888 9.2888 9.2888 9.2888 9.7103 9.7103 9.7103 9.7103 10.5121 10.5121 10.5121 10.5121 k = 0.1100 0.0635 0.1467 ( 5942 PWs) bands (ev): -2.3453 -2.3453 -2.3453 -2.3453 -1.0503 -1.0503 -1.0503 -1.0503 4.2414 4.2414 4.2414 4.2414 6.2890 6.2890 6.2890 6.2890 6.4289 6.4289 6.4289 6.4289 6.9894 6.9894 6.9894 6.9894 7.6582 7.6582 7.6582 7.6582 8.0416 8.0416 8.0416 8.0416 9.2245 9.2245 9.2245 9.2245 9.7294 9.7294 9.7294 9.7294 10.6002 10.6002 10.6002 10.6002 k = 0.1200 0.0693 0.1467 ( 5946 PWs) bands (ev): -2.3178 -2.3178 -2.3178 -2.3178 -1.0450 -1.0450 -1.0450 -1.0450 4.2593 4.2593 4.2593 4.2593 6.2734 6.2734 6.2734 6.2734 6.4361 6.4361 6.4361 6.4361 6.9120 6.9120 6.9120 6.9120 7.6182 7.6182 7.6182 7.6182 8.0147 8.0147 8.0147 8.0147 9.1593 9.1593 9.1593 9.1593 9.7525 9.7525 9.7525 9.7525 10.6818 10.6818 10.6818 10.6818 k = 0.1300 0.0751 0.1467 ( 5958 PWs) bands (ev): -2.2881 -2.2881 -2.2881 -2.2881 -1.0393 -1.0393 -1.0393 -1.0393 4.2786 4.2786 4.2786 4.2786 6.2569 6.2569 6.2569 6.2569 6.4432 6.4432 6.4432 6.4432 6.8273 6.8273 6.8273 6.8273 7.5827 7.5827 7.5827 7.5827 7.9868 7.9868 7.9868 7.9868 9.0939 9.0939 9.0939 9.0939 9.7797 9.7797 9.7797 9.7797 10.7546 10.7546 10.7546 10.7546 k = 0.1400 0.0808 0.1467 ( 5942 PWs) bands (ev): -2.2563 -2.2563 -2.2563 -2.2563 -1.0334 -1.0334 -1.0334 -1.0334 4.2991 4.2991 4.2991 4.2991 6.2394 6.2394 6.2394 6.2394 6.4501 6.4501 6.4501 6.4501 6.7372 6.7372 6.7372 6.7372 7.5502 7.5502 7.5502 7.5502 7.9583 7.9583 7.9583 7.9583 9.0292 9.0292 9.0292 9.0292 9.8109 9.8109 9.8109 9.8109 10.8163 10.8163 10.8163 10.8163 k = 0.1500 0.0866 0.1467 ( 5944 PWs) bands (ev): -2.2226 -2.2226 -2.2226 -2.2226 -1.0271 -1.0271 -1.0271 -1.0271 4.3208 4.3208 4.3208 4.3208 6.2208 6.2208 6.2208 6.2208 6.4567 6.4567 6.4567 6.4567 6.6434 6.6434 6.6434 6.6434 7.5195 7.5195 7.5195 7.5195 7.9297 7.9297 7.9297 7.9297 8.9659 8.9659 8.9659 8.9659 9.8463 9.8463 9.8463 9.8463 10.8639 10.8639 10.8639 10.8639 k = 0.1600 0.0924 0.1467 ( 5932 PWs) bands (ev): -2.1869 -2.1869 -2.1869 -2.1869 -1.0206 -1.0206 -1.0206 -1.0206 4.3436 4.3436 4.3436 4.3436 6.2005 6.2005 6.2005 6.2005 6.4626 6.4626 6.4626 6.4626 6.5479 6.5479 6.5479 6.5479 7.4894 7.4894 7.4894 7.4894 7.9012 7.9012 7.9012 7.9012 8.9046 8.9046 8.9046 8.9046 9.8857 9.8857 9.8857 9.8857 10.8939 10.8939 10.8939 10.8939 k = 0.1700 0.0981 0.1467 ( 5936 PWs) bands (ev): -2.1493 -2.1493 -2.1493 -2.1493 -1.0138 -1.0138 -1.0138 -1.0138 4.3673 4.3673 4.3673 4.3673 6.1774 6.1774 6.1774 6.1774 6.4518 6.4518 6.4518 6.4518 6.4689 6.4689 6.4689 6.4689 7.4590 7.4590 7.4590 7.4590 7.8733 7.8733 7.8733 7.8733 8.8458 8.8458 8.8458 8.8458 9.9290 9.9290 9.9290 9.9290 10.9042 10.9042 10.9042 10.9042 k = 0.1800 0.1039 0.1467 ( 5942 PWs) bands (ev): -2.1100 -2.1100 -2.1100 -2.1100 -1.0068 -1.0068 -1.0068 -1.0068 4.3919 4.3919 4.3919 4.3919 6.1484 6.1484 6.1484 6.1484 6.3617 6.3617 6.3617 6.3617 6.4726 6.4726 6.4726 6.4726 7.4277 7.4277 7.4277 7.4277 7.8463 7.8463 7.8463 7.8463 8.7899 8.7899 8.7899 8.7899 9.9762 9.9762 9.9762 9.9762 10.8981 10.8981 10.8981 10.8981 k = 0.1900 0.1097 0.1467 ( 5938 PWs) bands (ev): -2.0691 -2.0691 -2.0691 -2.0691 -0.9996 -0.9996 -0.9996 -0.9996 4.4171 4.4171 4.4171 4.4171 6.1069 6.1069 6.1069 6.1069 6.2827 6.2827 6.2827 6.2827 6.4759 6.4759 6.4759 6.4759 7.3953 7.3953 7.3953 7.3953 7.8206 7.8206 7.8206 7.8206 8.7370 8.7370 8.7370 8.7370 10.0270 10.0270 10.0270 10.0270 10.8821 10.8821 10.8821 10.8821 k = 0.2000 0.1155 0.1467 ( 5930 PWs) bands (ev): -2.0266 -2.0266 -2.0266 -2.0266 -0.9922 -0.9922 -0.9922 -0.9922 4.4429 4.4429 4.4429 4.4429 6.0445 6.0445 6.0445 6.0445 6.2243 6.2243 6.2243 6.2243 6.4780 6.4780 6.4780 6.4780 7.3616 7.3616 7.3616 7.3616 7.7964 7.7964 7.7964 7.7964 8.6873 8.6873 8.6873 8.6873 10.0812 10.0812 10.0812 10.0812 10.8607 10.8607 10.8607 10.8607 k = 0.2100 0.1212 0.1467 ( 5926 PWs) bands (ev): -1.9828 -1.9828 -1.9828 -1.9828 -0.9846 -0.9846 -0.9846 -0.9846 4.4691 4.4691 4.4691 4.4691 5.9622 5.9622 5.9622 5.9622 6.1859 6.1859 6.1859 6.1859 6.4788 6.4788 6.4788 6.4788 7.3267 7.3267 7.3267 7.3267 7.7739 7.7739 7.7739 7.7739 8.6406 8.6406 8.6406 8.6406 10.1388 10.1388 10.1388 10.1388 10.8366 10.8366 10.8366 10.8366 k = 0.2200 0.1270 0.1467 ( 5920 PWs) bands (ev): -1.9377 -1.9377 -1.9377 -1.9377 -0.9768 -0.9768 -0.9768 -0.9768 4.4953 4.4953 4.4953 4.4953 5.8693 5.8693 5.8693 5.8693 6.1588 6.1588 6.1588 6.1588 6.4781 6.4781 6.4781 6.4781 7.2910 7.2910 7.2910 7.2910 7.7534 7.7534 7.7534 7.7534 8.5969 8.5969 8.5969 8.5969 10.1996 10.1996 10.1996 10.1996 10.8116 10.8116 10.8116 10.8116 k = 0.2300 0.1328 0.1467 ( 5920 PWs) bands (ev): -1.8914 -1.8914 -1.8914 -1.8914 -0.9687 -0.9687 -0.9687 -0.9687 4.5214 4.5214 4.5214 4.5214 5.7719 5.7719 5.7719 5.7719 6.1371 6.1371 6.1371 6.1371 6.4758 6.4758 6.4758 6.4758 7.2547 7.2547 7.2547 7.2547 7.7351 7.7351 7.7351 7.7351 8.5559 8.5559 8.5559 8.5559 10.2632 10.2632 10.2632 10.2632 10.7865 10.7865 10.7865 10.7865 k = 0.2400 0.1386 0.1467 ( 5926 PWs) bands (ev): -1.8443 -1.8443 -1.8443 -1.8443 -0.9605 -0.9605 -0.9605 -0.9605 4.5470 4.5470 4.5470 4.5470 5.6734 5.6734 5.6734 5.6734 6.1180 6.1180 6.1180 6.1180 6.4720 6.4720 6.4720 6.4720 7.2184 7.2184 7.2184 7.2184 7.7189 7.7189 7.7189 7.7189 8.5172 8.5172 8.5172 8.5172 10.3295 10.3295 10.3295 10.3295 10.7621 10.7621 10.7621 10.7621 k = 0.2500 0.1443 0.1467 ( 5928 PWs) bands (ev): -1.7964 -1.7964 -1.7964 -1.7964 -0.9519 -0.9519 -0.9519 -0.9519 4.5716 4.5716 4.5716 4.5716 5.5753 5.5753 5.5753 5.5753 6.1001 6.1001 6.1001 6.1001 6.4666 6.4666 6.4666 6.4666 7.1827 7.1827 7.1827 7.1827 7.7051 7.7051 7.7051 7.7051 8.4806 8.4806 8.4806 8.4806 10.3982 10.3982 10.3982 10.3982 10.7387 10.7387 10.7387 10.7387 k = 0.2600 0.1501 0.1467 ( 5928 PWs) bands (ev): -1.7480 -1.7480 -1.7480 -1.7480 -0.9430 -0.9430 -0.9430 -0.9430 4.5946 4.5946 4.5946 4.5946 5.4790 5.4790 5.4790 5.4790 6.0828 6.0828 6.0828 6.0828 6.4596 6.4596 6.4596 6.4596 7.1482 7.1482 7.1482 7.1482 7.6935 7.6935 7.6935 7.6935 8.4457 8.4457 8.4457 8.4457 10.4690 10.4690 10.4690 10.4690 10.7168 10.7168 10.7168 10.7168 k = 0.2700 0.1559 0.1467 ( 5936 PWs) bands (ev): -1.6994 -1.6994 -1.6994 -1.6994 -0.9337 -0.9337 -0.9337 -0.9337 4.6151 4.6151 4.6151 4.6151 5.3858 5.3858 5.3858 5.3858 6.0656 6.0656 6.0656 6.0656 6.4512 6.4512 6.4512 6.4512 7.1153 7.1153 7.1153 7.1153 7.6841 7.6841 7.6841 7.6841 8.4123 8.4123 8.4123 8.4123 10.5414 10.5414 10.5414 10.5414 10.6967 10.6967 10.6967 10.6967 k = 0.2800 0.1617 0.1467 ( 5938 PWs) bands (ev): -1.6507 -1.6507 -1.6507 -1.6507 -0.9239 -0.9239 -0.9239 -0.9239 4.6319 4.6319 4.6319 4.6319 5.2972 5.2972 5.2972 5.2972 6.0482 6.0482 6.0482 6.0482 6.4414 6.4414 6.4414 6.4414 7.0847 7.0847 7.0847 7.0847 7.6768 7.6768 7.6768 7.6768 8.3801 8.3801 8.3801 8.3801 10.6138 10.6138 10.6138 10.6138 10.6799 10.6799 10.6799 10.6799 k = 0.2900 0.1674 0.1467 ( 5938 PWs) bands (ev): -1.6022 -1.6022 -1.6022 -1.6022 -0.9136 -0.9136 -0.9136 -0.9136 4.6428 4.6428 4.6428 4.6428 5.2155 5.2155 5.2155 5.2155 6.0303 6.0303 6.0303 6.0303 6.4304 6.4304 6.4304 6.4304 7.0566 7.0566 7.0566 7.0566 7.6715 7.6715 7.6715 7.6715 8.3490 8.3490 8.3490 8.3490 10.6526 10.6526 10.6526 10.6526 10.6993 10.6993 10.6993 10.6993 k = 0.3000 0.1732 0.1467 ( 5942 PWs) bands (ev): -1.5544 -1.5544 -1.5544 -1.5544 -0.9025 -0.9025 -0.9025 -0.9025 4.6449 4.6449 4.6449 4.6449 5.1438 5.1438 5.1438 5.1438 6.0118 6.0118 6.0118 6.0118 6.4184 6.4184 6.4184 6.4184 7.0315 7.0315 7.0315 7.0315 7.6680 7.6680 7.6680 7.6680 8.3190 8.3190 8.3190 8.3190 10.6406 10.6406 10.6406 10.6406 10.7721 10.7721 10.7721 10.7721 k = 0.3100 0.1790 0.1467 ( 5946 PWs) bands (ev): -1.5076 -1.5076 -1.5076 -1.5076 -0.8906 -0.8906 -0.8906 -0.8906 4.6343 4.6343 4.6343 4.6343 5.0862 5.0862 5.0862 5.0862 5.9926 5.9926 5.9926 5.9926 6.4055 6.4055 6.4055 6.4055 7.0095 7.0095 7.0095 7.0095 7.6660 7.6660 7.6660 7.6660 8.2900 8.2900 8.2900 8.2900 10.6266 10.6266 10.6266 10.6266 10.8485 10.8485 10.8485 10.8485 k = 0.3200 0.1848 0.1467 ( 5936 PWs) bands (ev): -1.4621 -1.4621 -1.4621 -1.4621 -0.8777 -0.8777 -0.8777 -0.8777 4.6079 4.6079 4.6079 4.6079 5.0461 5.0461 5.0461 5.0461 5.9726 5.9726 5.9726 5.9726 6.3920 6.3920 6.3920 6.3920 6.9907 6.9907 6.9907 6.9907 7.6655 7.6655 7.6655 7.6655 8.2622 8.2622 8.2622 8.2622 10.6133 10.6133 10.6133 10.6133 10.9255 10.9255 10.9255 10.9255 k = 0.3300 0.1905 0.1467 ( 5936 PWs) bands (ev): -1.4183 -1.4183 -1.4183 -1.4183 -0.8635 -0.8635 -0.8635 -0.8635 4.5652 4.5652 4.5652 4.5652 5.0239 5.0239 5.0239 5.0239 5.9519 5.9519 5.9519 5.9519 6.3780 6.3780 6.3780 6.3780 6.9749 6.9749 6.9749 6.9749 7.6661 7.6661 7.6661 7.6661 8.2357 8.2357 8.2357 8.2357 10.6010 10.6010 10.6010 10.6010 11.0021 11.0021 11.0021 11.0021 k = 0.3400 0.1963 0.1467 ( 5934 PWs) bands (ev): -1.3768 -1.3768 -1.3768 -1.3768 -0.8481 -0.8481 -0.8481 -0.8481 4.5097 4.5097 4.5097 4.5097 5.0166 5.0166 5.0166 5.0166 5.9305 5.9305 5.9305 5.9305 6.3638 6.3638 6.3638 6.3638 6.9620 6.9620 6.9620 6.9620 7.6677 7.6677 7.6677 7.6677 8.2107 8.2107 8.2107 8.2107 10.5894 10.5894 10.5894 10.5894 11.0777 11.0778 11.0778 11.0778 k = 0.3500 0.2021 0.1467 ( 5924 PWs) bands (ev): -1.3378 -1.3378 -1.3378 -1.3378 -0.8311 -0.8311 -0.8311 -0.8311 4.4460 4.4460 4.4460 4.4460 5.0197 5.0197 5.0197 5.0197 5.9087 5.9087 5.9087 5.9087 6.3495 6.3495 6.3495 6.3495 6.9517 6.9517 6.9517 6.9517 7.6701 7.6701 7.6701 7.6701 8.1873 8.1873 8.1873 8.1873 10.5785 10.5785 10.5785 10.5785 11.1520 11.1520 11.1520 11.1520 k = 0.3600 0.2078 0.1467 ( 5936 PWs) bands (ev): -1.3018 -1.3018 -1.3018 -1.3018 -0.8125 -0.8125 -0.8125 -0.8125 4.3783 4.3783 4.3783 4.3783 5.0292 5.0292 5.0292 5.0292 5.8867 5.8867 5.8867 5.8867 6.3353 6.3353 6.3353 6.3353 6.9435 6.9435 6.9435 6.9435 7.6731 7.6731 7.6731 7.6731 8.1659 8.1659 8.1659 8.1659 10.5680 10.5680 10.5680 10.5680 11.2242 11.2242 11.2242 11.2242 k = 0.3700 0.2136 0.1467 ( 5936 PWs) bands (ev): -1.2690 -1.2690 -1.2690 -1.2690 -0.7924 -0.7924 -0.7924 -0.7924 4.3093 4.3093 4.3093 4.3093 5.0427 5.0427 5.0427 5.0427 5.8646 5.8646 5.8646 5.8646 6.3215 6.3215 6.3215 6.3215 6.9371 6.9371 6.9371 6.9371 7.6765 7.6765 7.6765 7.6765 8.1467 8.1467 8.1467 8.1467 10.5579 10.5579 10.5579 10.5579 11.2940 11.2940 11.2940 11.2940 k = 0.3800 0.2194 0.1467 ( 5936 PWs) bands (ev): -1.2396 -1.2396 -1.2396 -1.2396 -0.7708 -0.7708 -0.7708 -0.7708 4.2411 4.2411 4.2411 4.2411 5.0582 5.0582 5.0582 5.0582 5.8428 5.8428 5.8428 5.8428 6.3080 6.3080 6.3080 6.3080 6.9320 6.9320 6.9320 6.9320 7.6802 7.6802 7.6802 7.6802 8.1297 8.1297 8.1297 8.1297 10.5481 10.5481 10.5481 10.5481 11.3612 11.3612 11.3612 11.3612 k = 0.3900 0.2252 0.1467 ( 5940 PWs) bands (ev): -1.2138 -1.2138 -1.2138 -1.2138 -0.7481 -0.7481 -0.7481 -0.7481 4.1750 4.1750 4.1750 4.1750 5.0749 5.0749 5.0749 5.0749 5.8215 5.8215 5.8215 5.8215 6.2952 6.2952 6.2952 6.2952 6.9278 6.9278 6.9278 6.9278 7.6840 7.6840 7.6840 7.6840 8.1151 8.1151 8.1151 8.1151 10.5386 10.5386 10.5386 10.5386 11.4254 11.4254 11.4254 11.4254 k = 0.4000 0.2309 0.1467 ( 5944 PWs) bands (ev): -1.1913 -1.1913 -1.1913 -1.1913 -0.7246 -0.7246 -0.7245 -0.7245 4.1121 4.1121 4.1121 4.1121 5.0918 5.0918 5.0918 5.0918 5.8010 5.8010 5.8010 5.8010 6.2831 6.2831 6.2831 6.2831 6.9242 6.9242 6.9242 6.9242 7.6879 7.6879 7.6879 7.6879 8.1029 8.1029 8.1029 8.1029 10.5293 10.5293 10.5293 10.5293 11.4866 11.4866 11.4866 11.4866 k = 0.4100 0.2367 0.1467 ( 5948 PWs) bands (ev): -1.1721 -1.1721 -1.1721 -1.1721 -0.7008 -0.7008 -0.7008 -0.7008 4.0530 4.0530 4.0530 4.0530 5.1084 5.1084 5.1084 5.1084 5.7815 5.7815 5.7815 5.7815 6.2718 6.2718 6.2718 6.2718 6.9210 6.9210 6.9210 6.9210 7.6916 7.6916 7.6916 7.6916 8.0932 8.0932 8.0932 8.0932 10.5203 10.5203 10.5203 10.5203 11.5449 11.5449 11.5449 11.5449 k = 0.4200 0.2425 0.1467 ( 5942 PWs) bands (ev): -1.1558 -1.1558 -1.1558 -1.1558 -0.6774 -0.6774 -0.6774 -0.6774 3.9985 3.9985 3.9985 3.9985 5.1244 5.1244 5.1244 5.1244 5.7633 5.7633 5.7633 5.7633 6.2615 6.2615 6.2615 6.2615 6.9179 6.9179 6.9179 6.9179 7.6951 7.6951 7.6951 7.6951 8.0856 8.0856 8.0856 8.0856 10.5117 10.5117 10.5117 10.5117 11.6000 11.6000 11.6000 11.6000 k = 0.4300 0.2483 0.1467 ( 5946 PWs) bands (ev): -1.1423 -1.1423 -1.1423 -1.1423 -0.6550 -0.6550 -0.6550 -0.6550 3.9490 3.9490 3.9490 3.9490 5.1394 5.1394 5.1394 5.1394 5.7465 5.7465 5.7465 5.7465 6.2521 6.2521 6.2521 6.2521 6.9149 6.9149 6.9149 6.9149 7.6984 7.6984 7.6984 7.6984 8.0801 8.0801 8.0801 8.0801 10.5036 10.5036 10.5036 10.5036 11.6520 11.6520 11.6520 11.6520 k = 0.4400 0.2540 0.1467 ( 5940 PWs) bands (ev): -1.1312 -1.1312 -1.1312 -1.1312 -0.6341 -0.6341 -0.6341 -0.6341 3.9052 3.9052 3.9052 3.9052 5.1531 5.1531 5.1531 5.1531 5.7315 5.7315 5.7315 5.7315 6.2439 6.2439 6.2439 6.2439 6.9120 6.9120 6.9120 6.9120 7.7014 7.7014 7.7014 7.7014 8.0763 8.0763 8.0763 8.0763 10.4961 10.4961 10.4961 10.4961 11.7005 11.7005 11.7005 11.7005 k = 0.4500 0.2598 0.1467 ( 5948 PWs) bands (ev): -1.1222 -1.1222 -1.1222 -1.1222 -0.6154 -0.6154 -0.6154 -0.6154 3.8673 3.8673 3.8673 3.8673 5.1653 5.1653 5.1653 5.1653 5.7184 5.7184 5.7184 5.7184 6.2368 6.2368 6.2368 6.2368 6.9092 6.9092 6.9092 6.9092 7.7039 7.7039 7.7039 7.7039 8.0739 8.0739 8.0739 8.0739 10.4894 10.4894 10.4894 10.4894 11.7451 11.7451 11.7451 11.7451 k = 0.4600 0.2656 0.1467 ( 5944 PWs) bands (ev): -1.1152 -1.1152 -1.1152 -1.1152 -0.5993 -0.5993 -0.5993 -0.5993 3.8358 3.8358 3.8358 3.8358 5.1756 5.1756 5.1756 5.1756 5.7074 5.7074 5.7074 5.7074 6.2310 6.2310 6.2310 6.2310 6.9067 6.9067 6.9067 6.9067 7.7061 7.7061 7.7061 7.7061 8.0726 8.0726 8.0726 8.0726 10.4836 10.4836 10.4836 10.4836 11.7848 11.7848 11.7848 11.7848 k = 0.4700 0.2714 0.1467 ( 5948 PWs) bands (ev): -1.1099 -1.1099 -1.1099 -1.1099 -0.5864 -0.5864 -0.5864 -0.5864 3.8109 3.8109 3.8109 3.8109 5.1839 5.1839 5.1839 5.1839 5.6986 5.6986 5.6986 5.6986 6.2264 6.2264 6.2264 6.2264 6.9046 6.9046 6.9046 6.9046 7.7078 7.7078 7.7078 7.7078 8.0719 8.0719 8.0719 8.0719 10.4789 10.4789 10.4789 10.4789 11.8185 11.8185 11.8185 11.8185 k = 0.4800 0.2771 0.1467 ( 5958 PWs) bands (ev): -1.1063 -1.1063 -1.1063 -1.1063 -0.5769 -0.5769 -0.5769 -0.5769 3.7930 3.7930 3.7930 3.7930 5.1899 5.1899 5.1899 5.1899 5.6922 5.6922 5.6922 5.6922 6.2231 6.2231 6.2231 6.2231 6.9029 6.9029 6.9029 6.9029 7.7090 7.7090 7.7090 7.7090 8.0717 8.0717 8.0717 8.0717 10.4755 10.4755 10.4755 10.4755 11.8446 11.8446 11.8446 11.8446 k = 0.4900 0.2829 0.1467 ( 5960 PWs) bands (ev): -1.1041 -1.1041 -1.1041 -1.1041 -0.5711 -0.5711 -0.5711 -0.5711 3.7822 3.7822 3.7822 3.7822 5.1936 5.1936 5.1936 5.1936 5.6883 5.6883 5.6883 5.6883 6.2211 6.2211 6.2211 6.2211 6.9019 6.9019 6.9019 6.9019 7.7098 7.7098 7.7098 7.7098 8.0716 8.0716 8.0716 8.0716 10.4734 10.4734 10.4734 10.4734 11.8613 11.8613 11.8613 11.8613 k = 0.5000 0.2887 0.1467 ( 5956 PWs) bands (ev): -1.1034 -1.1034 -1.1034 -1.1034 -0.5691 -0.5691 -0.5691 -0.5691 3.7785 3.7785 3.7785 3.7785 5.1949 5.1949 5.1949 5.1949 5.6870 5.6870 5.6870 5.6870 6.2204 6.2204 6.2204 6.2204 6.9016 6.9016 6.9016 6.9016 7.7100 7.7100 7.7100 7.7100 8.0716 8.0716 8.0716 8.0716 10.4727 10.4727 10.4727 10.4727 11.8670 11.8670 11.8670 11.8670 k = 0.5000 0.2887 0.1467 ( 5956 PWs) bands (ev): -1.1034 -1.1034 -1.1034 -1.1034 -0.5691 -0.5691 -0.5691 -0.5691 3.7785 3.7785 3.7785 3.7785 5.1949 5.1949 5.1949 5.1949 5.6870 5.6870 5.6870 5.6870 6.2204 6.2204 6.2204 6.2204 6.9016 6.9016 6.9016 6.9016 7.7100 7.7100 7.7100 7.7100 8.0716 8.0716 8.0716 8.0716 10.4727 10.4727 10.4727 10.4727 11.8670 11.8670 11.8670 11.8670 k = 0.4943 0.2986 0.1467 ( 5964 PWs) bands (ev): -1.1029 -1.1029 -1.1024 -1.1024 -0.5699 -0.5699 -0.5686 -0.5686 3.7796 3.7796 3.7804 3.7804 5.1935 5.1935 5.1954 5.1954 5.6877 5.6877 5.6880 5.6880 6.2176 6.2176 6.2205 6.2205 6.9011 6.9011 6.9018 6.9018 7.6781 7.6781 7.6854 7.6854 8.0949 8.0949 8.1027 8.1027 10.4748 10.4748 10.4753 10.4753 11.8669 11.8669 11.8671 11.8671 k = 0.4885 0.3086 0.1467 ( 5958 PWs) bands (ev): -1.1010 -1.1010 -1.1000 -1.1000 -0.5708 -0.5708 -0.5682 -0.5682 3.7836 3.7836 3.7852 3.7852 5.1915 5.1915 5.1952 5.1952 5.6900 5.6900 5.6905 5.6905 6.2121 6.2121 6.2178 6.2178 6.9006 6.9006 6.9019 6.9019 7.6078 7.6078 7.6187 7.6187 8.1580 8.1580 8.1698 8.1698 10.4816 10.4816 10.4827 10.4827 11.8665 11.8665 11.8669 11.8669 k = 0.4828 0.3185 0.1467 ( 5954 PWs) bands (ev): -1.0976 -1.0976 -1.0961 -1.0961 -0.5720 -0.5720 -0.5681 -0.5681 3.7905 3.7905 3.7929 3.7929 5.1886 5.1886 5.1942 5.1942 5.6940 5.6940 5.6947 5.6947 6.2039 6.2039 6.2124 6.2124 6.8998 6.8998 6.9018 6.9018 7.5200 7.5200 7.5320 7.5320 8.2389 8.2389 8.2523 8.2523 10.4930 10.4930 10.4947 10.4947 11.8657 11.8657 11.8660 11.8660 k = 0.4770 0.3285 0.1467 ( 5950 PWs) bands (ev): -1.0928 -1.0928 -1.0909 -1.0909 -0.5734 -0.5734 -0.5682 -0.5682 3.8003 3.8003 3.8035 3.8035 5.1850 5.1850 5.1924 5.1924 5.6995 5.6995 5.7005 5.7005 6.1934 6.1934 6.2045 6.2045 6.8985 6.8985 6.9011 6.9011 7.4242 7.4242 7.4364 7.4364 8.3269 8.3269 8.3408 8.3408 10.5087 10.5087 10.5109 10.5109 11.8636 11.8636 11.8639 11.8639 k = 0.4713 0.3384 0.1467 ( 5964 PWs) bands (ev): -1.0866 -1.0866 -1.0842 -1.0842 -0.5749 -0.5749 -0.5685 -0.5685 3.8130 3.8130 3.8170 3.8170 5.1806 5.1806 5.1898 5.1898 5.7067 5.7067 5.7079 5.7079 6.1807 6.1807 6.1943 6.1943 6.8966 6.8966 6.8997 6.8997 7.3246 7.3246 7.3364 7.3364 8.4175 8.4175 8.4315 8.4315 10.5283 10.5283 10.5310 10.5310 11.8587 11.8587 11.8600 11.8600 k = 0.4655 0.3484 0.1467 ( 5968 PWs) bands (ev): -1.0790 -1.0790 -1.0762 -1.0762 -0.5767 -0.5767 -0.5690 -0.5690 3.8286 3.8286 3.8333 3.8333 5.1754 5.1754 5.1863 5.1863 5.7154 5.7154 5.7168 5.7168 6.1660 6.1660 6.1821 6.1821 6.8936 6.8936 6.8974 6.8974 7.2232 7.2232 7.2342 7.2342 8.5090 8.5090 8.5228 8.5228 10.5512 10.5512 10.5545 10.5545 11.8499 11.8499 11.8529 11.8529 k = 0.4598 0.3584 0.1467 ( 5972 PWs) bands (ev): -1.0701 -1.0701 -1.0670 -1.0670 -0.5787 -0.5787 -0.5697 -0.5697 3.8469 3.8469 3.8525 3.8525 5.1694 5.1694 5.1821 5.1821 5.7255 5.7255 5.7271 5.7271 6.1495 6.1495 6.1679 6.1679 6.8890 6.8890 6.8939 6.8939 7.1217 7.1217 7.1312 7.1312 8.6004 8.6004 8.6138 8.6138 10.5769 10.5769 10.5806 10.5806 11.8359 11.8359 11.8413 11.8413 k = 0.4540 0.3683 0.1467 ( 5984 PWs) bands (ev): -1.0600 -1.0600 -1.0565 -1.0565 -0.5809 -0.5809 -0.5706 -0.5706 3.8681 3.8681 3.8744 3.8744 5.1627 5.1627 5.1769 5.1769 5.7372 5.7372 5.7389 5.7389 6.1313 6.1313 6.1518 6.1518 6.8815 6.8815 6.8886 6.8886 7.0222 7.0222 7.0288 7.0288 8.6913 8.6913 8.7041 8.7041 10.6046 10.6046 10.6087 10.6087 11.8164 11.8164 11.8247 11.8247 k = 0.4483 0.3783 0.1467 ( 5980 PWs) bands (ev): -1.0488 -1.0488 -1.0448 -1.0448 -0.5833 -0.5833 -0.5718 -0.5718 3.8919 3.8919 3.8989 3.8989 5.1552 5.1552 5.1710 5.1710 5.7502 5.7502 5.7520 5.7520 6.1114 6.1114 6.1339 6.1339 6.8631 6.8631 6.8785 6.8785 6.9305 6.9305 6.9331 6.9331 8.7817 8.7817 8.7937 8.7937 10.6334 10.6334 10.6379 10.6379 11.7923 11.7923 11.8034 11.8034 k = 0.4425 0.3882 0.1467 ( 5970 PWs) bands (ev): -1.0364 -1.0364 -1.0322 -1.0322 -0.5858 -0.5858 -0.5731 -0.5731 3.9184 3.9184 3.9262 3.9262 5.1469 5.1469 5.1642 5.1642 5.7646 5.7646 5.7664 5.7664 6.0897 6.0897 6.1139 6.1139 6.7998 6.7998 6.8186 6.8186 6.8824 6.8824 6.8895 6.8895 8.8713 8.8713 8.8825 8.8825 10.6624 10.6624 10.6670 10.6670 11.7651 11.7651 11.7789 11.7789 k = 0.4368 0.3982 0.1467 ( 5966 PWs) bands (ev): -1.0230 -1.0230 -1.0185 -1.0185 -0.5886 -0.5886 -0.5746 -0.5746 3.9474 3.9474 3.9560 3.9560 5.1379 5.1379 5.1567 5.1567 5.7802 5.7802 5.7820 5.7820 6.0656 6.0656 6.0911 6.0911 6.7098 6.7098 6.7235 6.7235 6.8706 6.8706 6.8741 6.8741 8.9603 8.9603 8.9706 8.9706 10.6904 10.6904 10.6951 10.6951 11.7366 11.7366 11.7529 11.7529 k = 0.4310 0.4081 0.1467 ( 5958 PWs) bands (ev): -1.0088 -1.0088 -1.0040 -1.0040 -0.5915 -0.5915 -0.5763 -0.5763 3.9790 3.9790 3.9882 3.9882 5.1283 5.1283 5.1485 5.1485 5.7969 5.7969 5.7987 5.7987 6.0384 6.0384 6.0648 6.0648 6.6195 6.6195 6.6302 6.6302 6.8594 6.8594 6.8619 6.8619 9.0488 9.0488 9.0581 9.0581 10.7165 10.7165 10.7210 10.7210 11.7082 11.7082 11.7270 11.7270 k = 0.4253 0.4181 0.1467 ( 5962 PWs) bands (ev): -0.9938 -0.9938 -0.9888 -0.9888 -0.5946 -0.5946 -0.5782 -0.5782 4.0129 4.0129 4.0229 4.0229 5.1182 5.1182 5.1396 5.1396 5.8147 5.8147 5.8164 5.8164 6.0070 6.0070 6.0335 6.0335 6.5342 6.5342 6.5421 6.5421 6.8472 6.8472 6.8495 6.8495 9.1370 9.1370 9.1452 9.1452 10.7394 10.7394 10.7436 10.7436 11.6805 11.6805 11.7021 11.7021 k = 0.4195 0.4280 0.1467 ( 5958 PWs) bands (ev): -0.9781 -0.9781 -0.9729 -0.9729 -0.5978 -0.5978 -0.5802 -0.5802 4.0492 4.0492 4.0599 4.0599 5.1075 5.1075 5.1302 5.1302 5.8334 5.8334 5.8350 5.8350 5.9700 5.9700 5.9956 5.9956 6.4568 6.4568 6.4612 6.4612 6.8337 6.8337 6.8361 6.8361 9.2248 9.2248 9.2319 9.2319 10.7584 10.7584 10.7619 10.7619 11.6532 11.6532 11.6783 11.6783 k = 0.4138 0.4380 0.1467 ( 5958 PWs) bands (ev): -0.9619 -0.9619 -0.9567 -0.9567 -0.6011 -0.6011 -0.5823 -0.5823 4.0877 4.0877 4.0990 4.0990 5.0965 5.0965 5.1204 5.1204 5.8525 5.8525 5.8542 5.8542 5.9261 5.9261 5.9494 5.9494 6.3896 6.3896 6.3898 6.3898 6.8190 6.8190 6.8217 6.8217 9.3126 9.3126 9.3185 9.3185 10.7728 10.7728 10.7754 10.7754 11.6253 11.6253 11.6543 11.6543 k = 0.4080 0.4479 0.1467 ( 5974 PWs) bands (ev): -0.9454 -0.9454 -0.9401 -0.9401 -0.6046 -0.6046 -0.5845 -0.5845 4.1282 4.1282 4.1402 4.1402 5.0853 5.0853 5.1103 5.1103 5.8628 5.8628 5.8721 5.8721 5.8833 5.8833 5.8957 5.8957 6.3291 6.3291 6.3339 6.3339 6.8033 6.8033 6.8064 6.8064 9.4004 9.4004 9.4050 9.4050 10.7821 10.7821 10.7836 10.7836 11.5946 11.5946 11.6280 11.6280 k = 0.4023 0.4579 0.1467 ( 5978 PWs) bands (ev): -0.9287 -0.9287 -0.9235 -0.9235 -0.6080 -0.6080 -0.5868 -0.5868 4.1706 4.1706 4.1833 4.1833 5.0738 5.0738 5.0999 5.0999 5.8092 5.8092 5.8271 5.8271 5.8965 5.8965 5.8966 5.8966 6.2795 6.2795 6.2897 6.2897 6.7866 6.7866 6.7903 6.7903 9.4882 9.4882 9.4915 9.4915 10.7864 10.7864 10.7866 10.7866 11.5591 11.5591 11.5964 11.5964 k = 0.3966 0.4679 0.1467 ( 5980 PWs) bands (ev): -0.9120 -0.9120 -0.9070 -0.9070 -0.6114 -0.6114 -0.5890 -0.5890 4.2147 4.2147 4.2282 4.2282 5.0624 5.0624 5.0896 5.0896 5.7414 5.7414 5.7556 5.7556 5.9170 5.9170 5.9175 5.9175 6.2401 6.2401 6.2555 6.2555 6.7693 6.7693 6.7736 6.7736 9.5763 9.5763 9.5781 9.5781 10.7848 10.7848 10.7860 10.7860 11.5173 11.5173 11.5568 11.5568 k = 0.3908 0.4778 0.1467 ( 5976 PWs) bands (ev): -0.8956 -0.8956 -0.8909 -0.8909 -0.6148 -0.6148 -0.5911 -0.5911 4.2605 4.2605 4.2746 4.2746 5.0509 5.0509 5.0793 5.0793 5.6682 5.6682 5.6792 5.6792 5.9379 5.9379 5.9390 5.9390 6.2091 6.2091 6.2290 6.2290 6.7516 6.7516 6.7565 6.7565 9.6644 9.6644 9.6647 9.6647 10.7787 10.7787 10.7816 10.7816 11.4688 11.4688 11.5088 11.5088 k = 0.3851 0.4878 0.1467 ( 5980 PWs) bands (ev): -0.8797 -0.8797 -0.8753 -0.8753 -0.6180 -0.6180 -0.5930 -0.5930 4.3075 4.3075 4.3224 4.3224 5.0394 5.0394 5.0691 5.0691 5.5924 5.5924 5.6003 5.6003 5.9587 5.9587 5.9605 5.9605 6.1847 6.1847 6.2085 6.2085 6.7337 6.7337 6.7393 6.7393 9.7511 9.7511 9.7525 9.7525 10.7692 10.7692 10.7739 10.7739 11.4145 11.4145 11.4535 11.4535 k = 0.3793 0.4977 0.1467 ( 5974 PWs) bands (ev): -0.8645 -0.8645 -0.8606 -0.8606 -0.6210 -0.6210 -0.5947 -0.5947 4.3555 4.3555 4.3712 4.3712 5.0280 5.0280 5.0591 5.0591 5.5160 5.5160 5.5212 5.5212 5.9791 5.9791 5.9818 5.9818 6.1652 6.1652 6.1925 6.1925 6.7160 6.7160 6.7223 6.7223 9.8369 9.8369 9.8403 9.8403 10.7572 10.7572 10.7641 10.7641 11.3558 11.3558 11.3928 11.3928 k = 0.3736 0.5077 0.1467 ( 5958 PWs) bands (ev): -0.8504 -0.8504 -0.8470 -0.8470 -0.6237 -0.6237 -0.5961 -0.5961 4.4042 4.4042 4.4207 4.4207 5.0164 5.0164 5.0493 5.0493 5.4412 5.4412 5.4436 5.4436 5.9986 5.9986 6.0025 6.0025 6.1495 6.1495 6.1798 6.1798 6.6988 6.6988 6.7059 6.7059 9.9215 9.9215 9.9272 9.9272 10.7439 10.7439 10.7534 10.7534 11.2939 11.2939 11.3288 11.3288 k = 0.3678 0.5176 0.1467 ( 5962 PWs) bands (ev): -0.8376 -0.8376 -0.8348 -0.8348 -0.6259 -0.6259 -0.5971 -0.5971 4.4530 4.4530 4.4704 4.4704 5.0044 5.0044 5.0394 5.0394 5.3691 5.3691 5.3698 5.3698 6.0168 6.0168 6.0221 6.0221 6.1368 6.1368 6.1698 6.1698 6.6825 6.6825 6.6903 6.6903 10.0038 10.0038 10.0122 10.0122 10.7306 10.7306 10.7432 10.7432 11.2302 11.2302 11.2628 11.2628 k = 0.3621 0.5276 0.1467 ( 5962 PWs) bands (ev): -0.8264 -0.8264 -0.8242 -0.8242 -0.6276 -0.6276 -0.5977 -0.5977 4.5012 4.5012 4.5194 4.5194 4.9915 4.9915 5.0292 5.0292 5.2997 5.2997 5.3039 5.3039 6.0332 6.0332 6.0404 6.0404 6.1263 6.1263 6.1622 6.1622 6.6674 6.6674 6.6759 6.6759 10.0818 10.0818 10.0937 10.0937 10.7192 10.7192 10.7359 10.7359 11.1656 11.1656 11.1960 11.1960 k = 0.3563 0.5375 0.1467 ( 5966 PWs) bands (ev): -0.8170 -0.8170 -0.8153 -0.8153 -0.6287 -0.6287 -0.5978 -0.5978 4.5476 4.5476 4.5668 4.5668 4.9770 4.9770 5.0179 5.0179 5.2378 5.2378 5.2460 5.2460 6.0472 6.0472 6.0567 6.0567 6.1178 6.1178 6.1567 6.1567 6.6542 6.6542 6.6633 6.6633 10.1527 10.1527 10.1689 10.1689 10.7125 10.7125 10.7342 10.7342 11.1010 11.1010 11.1292 11.1292 k = 0.3506 0.5475 0.1467 ( 5950 PWs) bands (ev): -0.8097 -0.8097 -0.8085 -0.8085 -0.6293 -0.6293 -0.5976 -0.5976 4.5905 4.5905 4.6106 4.6106 4.9606 4.9606 5.0048 5.0048 5.1865 5.1865 5.1988 5.1988 6.0583 6.0583 6.0705 6.0705 6.1110 6.1110 6.1531 6.1531 6.6432 6.6432 6.6528 6.6528 10.2126 10.2126 10.2336 10.2336 10.7143 10.7143 10.7424 10.7424 11.0372 11.0372 11.0629 11.0629 k = 0.3448 0.5574 0.1467 ( 5954 PWs) bands (ev): -0.8045 -0.8045 -0.8036 -0.8036 -0.6294 -0.6294 -0.5971 -0.5971 4.6268 4.6268 4.6477 4.6477 4.9433 4.9433 4.9899 4.9899 5.1492 5.1492 5.1647 5.1647 6.0660 6.0660 6.0813 6.0813 6.1059 6.1059 6.1513 6.1513 6.6348 6.6348 6.6449 6.6449 10.2569 10.2569 10.2823 10.2823 10.7293 10.7293 10.7644 10.7644 10.9756 10.9756 10.9979 10.9979 k = 0.3391 0.5674 0.1467 ( 5954 PWs) bands (ev): -0.8015 -0.8015 -0.8008 -0.8008 -0.6292 -0.6292 -0.5966 -0.5966 4.6519 4.6519 4.6733 4.6733 4.9289 4.9289 4.9766 4.9766 5.1275 5.1275 5.1446 5.1446 6.0705 6.0705 6.0882 6.0882 6.1026 6.1026 6.1506 6.1506 6.6297 6.6297 6.6399 6.6399 10.2826 10.2826 10.3109 10.3109 10.7576 10.7576 10.8018 10.8018 10.9199 10.9199 10.9357 10.9357 k = 0.3333 0.5774 0.1467 ( 5964 PWs) bands (ev): -0.8005 -0.8005 -0.7998 -0.7998 -0.6291 -0.6291 -0.5963 -0.5963 4.6609 4.6609 4.6825 4.6825 4.9233 4.9233 4.9712 4.9712 5.1206 5.1206 5.1381 5.1381 6.0719 6.0719 6.0904 6.0904 6.1016 6.1016 6.1505 6.1505 6.6279 6.6279 6.6382 6.6382 10.2905 10.2905 10.3196 10.3196 10.7795 10.7795 10.8359 10.8359 10.8899 10.8899 10.8940 10.8940 k = 0.3333 0.5774 0.1467 ( 5964 PWs) bands (ev): -0.8005 -0.8005 -0.7998 -0.7998 -0.6291 -0.6291 -0.5963 -0.5963 4.6609 4.6609 4.6825 4.6825 4.9233 4.9233 4.9712 4.9712 5.1206 5.1206 5.1381 5.1381 6.0719 6.0719 6.0904 6.0904 6.1016 6.1016 6.1505 6.1505 6.6279 6.6279 6.6382 6.6382 10.2905 10.2905 10.3196 10.3196 10.7795 10.7795 10.8359 10.8359 10.8899 10.8899 10.8940 10.8940 k = 0.3275 0.5672 0.1467 ( 5960 PWs) bands (ev): -0.8015 -0.8015 -0.8008 -0.8008 -0.6294 -0.6294 -0.5967 -0.5967 4.6523 4.6523 4.6738 4.6738 4.9287 4.9287 4.9764 4.9764 5.1275 5.1275 5.1445 5.1445 6.0705 6.0705 6.0888 6.0888 6.1019 6.1019 6.1505 6.1505 6.6297 6.6297 6.6400 6.6400 10.2838 10.2838 10.3124 10.3124 10.7510 10.7510 10.7948 10.7948 10.9248 10.9248 10.9412 10.9412 k = 0.3216 0.5571 0.1467 ( 5948 PWs) bands (ev): -0.8042 -0.8042 -0.8034 -0.8034 -0.6304 -0.6304 -0.5980 -0.5980 4.6307 4.6307 4.6516 4.6516 4.9414 4.9414 4.9882 4.9882 5.1478 5.1478 5.1635 5.1635 6.0667 6.0667 6.0844 6.0844 6.1025 6.1025 6.1503 6.1503 6.6351 6.6351 6.6452 6.6452 10.2665 10.2665 10.2942 10.2942 10.6973 10.6973 10.7349 10.7349 10.9944 10.9944 11.0163 11.0163 k = 0.3158 0.5470 0.1467 ( 5960 PWs) bands (ev): -0.8085 -0.8085 -0.8075 -0.8075 -0.6326 -0.6326 -0.6006 -0.6006 4.6028 4.6028 4.6228 4.6228 4.9559 4.9559 5.0008 5.0008 5.1807 5.1807 5.1937 5.1937 6.0602 6.0602 6.0768 6.0768 6.1040 6.1040 6.1505 6.1505 6.6438 6.6438 6.6536 6.6536 10.2421 10.2421 10.2690 10.2690 10.6390 10.6390 10.6743 10.6743 11.0732 11.0732 11.0965 11.0965 k = 0.3099 0.5368 0.1467 ( 5964 PWs) bands (ev): -0.8142 -0.8142 -0.8131 -0.8131 -0.6363 -0.6363 -0.6048 -0.6048 4.5734 4.5734 4.5923 4.5923 4.9693 4.9693 5.0117 5.0117 5.2237 5.2237 5.2334 5.2334 6.0511 6.0511 6.0660 6.0660 6.1072 6.1072 6.1514 6.1514 6.6553 6.6553 6.6648 6.6648 10.2127 10.2127 10.2392 10.2392 10.5803 10.5803 10.6149 10.6149 11.1531 11.1531 11.1763 11.1763 k = 0.3041 0.5267 0.1467 ( 5968 PWs) bands (ev): -0.8211 -0.8211 -0.8201 -0.8201 -0.6418 -0.6418 -0.6108 -0.6108 4.5454 4.5454 4.5634 4.5634 4.9808 4.9808 5.0210 5.0210 5.2734 5.2734 5.2802 5.2802 6.0394 6.0394 6.0523 6.0523 6.1122 6.1122 6.1537 6.1537 6.6690 6.6690 6.6783 6.6783 10.1798 10.1798 10.2061 10.2061 10.5229 10.5229 10.5573 10.5573 11.2299 11.2299 11.2515 11.2515 k = 0.2982 0.5166 0.1467 ( 5968 PWs) bands (ev): -0.8293 -0.8293 -0.8283 -0.8283 -0.6492 -0.6492 -0.6187 -0.6187 4.5207 4.5207 4.5376 4.5376 4.9910 4.9910 5.0293 5.0293 5.3276 5.3276 5.3318 5.3318 6.0253 6.0253 6.0365 6.0365 6.1191 6.1191 6.1578 6.1578 6.6845 6.6845 6.6936 6.6936 10.1441 10.1441 10.1703 10.1703 10.4679 10.4679 10.5024 10.5024 11.2996 11.2996 11.3181 11.3181 k = 0.2924 0.5064 0.1467 ( 5960 PWs) bands (ev): -0.8387 -0.8387 -0.8378 -0.8378 -0.6586 -0.6586 -0.6287 -0.6287 4.5002 4.5002 4.5161 4.5161 5.0000 5.0000 5.0370 5.0370 5.3845 5.3845 5.3867 5.3867 6.0093 6.0093 6.0191 6.0191 6.1278 6.1278 6.1640 6.1640 6.7012 6.7012 6.7103 6.7103 10.1056 10.1056 10.1316 10.1316 10.4166 10.4166 10.4511 10.4511 11.3591 11.3591 11.3723 11.3723 k = 0.2865 0.4963 0.1467 ( 5962 PWs) bands (ev): -0.8495 -0.8495 -0.8486 -0.8486 -0.6700 -0.6700 -0.6407 -0.6407 4.4846 4.4846 4.4995 4.4995 5.0082 5.0082 5.0442 5.0442 5.4429 5.4429 5.4436 5.4436 5.9922 5.9922 6.0010 6.0010 6.1385 6.1385 6.1722 6.1722 6.7186 6.7186 6.7278 6.7278 10.0641 10.0641 10.0897 10.0897 10.3704 10.3704 10.4045 10.4045 11.4053 11.4053 11.4112 11.4112 k = 0.2807 0.4862 0.1467 ( 5964 PWs) bands (ev): -0.8616 -0.8616 -0.8609 -0.8609 -0.6833 -0.6833 -0.6547 -0.6547 4.4744 4.4744 4.4882 4.4882 5.0157 5.0157 5.0509 5.0509 5.5016 5.5016 5.5021 5.5021 5.9745 5.9745 5.9828 5.9828 6.1511 6.1511 6.1826 6.1826 6.7364 6.7364 6.7460 6.7460 10.0193 10.0193 10.0438 10.0438 10.3307 10.3307 10.3637 10.3637 11.4338 11.4338 11.4367 11.4367 k = 0.2749 0.4761 0.1467 ( 5960 PWs) bands (ev): -0.8754 -0.8754 -0.8749 -0.8749 -0.6982 -0.6982 -0.6703 -0.6703 4.4696 4.4696 4.4825 4.4825 5.0222 5.0222 5.0569 5.0569 5.5603 5.5603 5.5616 5.5616 5.9570 5.9570 5.9652 5.9652 6.1657 6.1657 6.1951 6.1951 6.7544 6.7544 6.7644 6.7644 9.9709 9.9709 9.9937 9.9937 10.2983 10.2983 10.3295 10.3295 11.4414 11.4414 11.4531 11.4531 k = 0.2690 0.4659 0.1467 ( 5956 PWs) bands (ev): -0.8912 -0.8912 -0.8909 -0.8909 -0.7144 -0.7144 -0.6873 -0.6873 4.4706 4.4706 4.4825 4.4825 5.0276 5.0276 5.0620 5.0620 5.6190 5.6190 5.6209 5.6209 5.9406 5.9406 5.9488 5.9488 6.1823 6.1823 6.2097 6.2097 6.7722 6.7722 6.7829 6.7829 9.9190 9.9190 9.9395 9.9395 10.2735 10.2735 10.3024 10.3024 11.4365 11.4365 11.4561 11.4561 k = 0.2632 0.4558 0.1467 ( 5952 PWs) bands (ev): -0.9095 -0.9095 -0.9092 -0.9092 -0.7313 -0.7313 -0.7052 -0.7052 4.4772 4.4772 4.4882 4.4882 5.0316 5.0316 5.0656 5.0656 5.6773 5.6773 5.6794 5.6794 5.9260 5.9260 5.9344 5.9344 6.2008 6.2008 6.2263 6.2263 6.7898 6.7898 6.8014 6.8014 9.8638 9.8638 9.8821 9.8821 10.2562 10.2562 10.2825 10.2825 11.4214 11.4214 11.4477 11.4477 k = 0.2573 0.4457 0.1467 ( 5952 PWs) bands (ev): -0.9305 -0.9305 -0.9301 -0.9301 -0.7486 -0.7486 -0.7236 -0.7236 4.4895 4.4895 4.4996 4.4996 5.0339 5.0339 5.0675 5.0675 5.7346 5.7346 5.7365 5.7365 5.9143 5.9143 5.9228 5.9228 6.2214 6.2214 6.2448 6.2448 6.8071 6.8071 6.8199 6.8199 9.8061 9.8061 9.8221 9.8221 10.2457 10.2457 10.2695 10.2695 11.3984 11.3984 11.4301 11.4301 k = 0.2515 0.4355 0.1467 ( 5960 PWs) bands (ev): -0.9547 -0.9547 -0.9542 -0.9542 -0.7655 -0.7655 -0.7419 -0.7419 4.5074 4.5074 4.5166 4.5166 5.0340 5.0340 5.0672 5.0672 5.7898 5.7898 5.7907 5.7907 5.9074 5.9074 5.9155 5.9155 6.2438 6.2438 6.2653 6.2653 6.8242 6.8242 6.8384 6.8384 9.7467 9.7467 9.7605 9.7605 10.2416 10.2416 10.2629 10.2629 11.3687 11.3687 11.4048 11.4048 k = 0.2456 0.4254 0.1467 ( 5968 PWs) bands (ev): -0.9824 -0.9824 -0.9815 -0.9815 -0.7818 -0.7818 -0.7596 -0.7596 4.5306 4.5306 4.5391 4.5391 5.0319 5.0319 5.0644 5.0644 5.8369 5.8369 5.8393 5.8393 5.9106 5.9106 5.9161 5.9161 6.2680 6.2680 6.2877 6.2877 6.8413 6.8413 6.8570 6.8570 9.6861 9.6861 9.6981 9.6981 10.2432 10.2432 10.2623 10.2623 11.3335 11.3335 11.3730 11.3730 k = 0.2398 0.4153 0.1467 ( 5950 PWs) bands (ev): -1.0137 -1.0137 -1.0124 -1.0124 -0.7971 -0.7971 -0.7764 -0.7764 4.5589 4.5589 4.5669 4.5669 5.0272 5.0272 5.0588 5.0588 5.8630 5.8630 5.8718 5.8718 5.9362 5.9362 5.9364 5.9364 6.2941 6.2941 6.3118 6.3118 6.8584 6.8584 6.8760 6.8760 9.6251 9.6251 9.6356 9.6356 10.2501 10.2501 10.2671 10.2671 11.2930 11.2930 11.3354 11.3354 k = 0.2339 0.4052 0.1467 ( 5942 PWs) bands (ev): -1.0485 -1.0485 -1.0467 -1.0467 -0.8112 -0.8112 -0.7922 -0.7922 4.5920 4.5920 4.5996 4.5996 5.0199 5.0199 5.0502 5.0502 5.8727 5.8727 5.8845 5.8845 5.9788 5.9788 5.9810 5.9810 6.3217 6.3217 6.3376 6.3376 6.8758 6.8758 6.8954 6.8954 9.5644 9.5644 9.5735 9.5735 10.2617 10.2617 10.2769 10.2769 11.2477 11.2477 11.2922 11.2922 k = 0.2281 0.3950 0.1467 ( 5942 PWs) bands (ev): -1.0865 -1.0865 -1.0843 -1.0843 -0.8244 -0.8244 -0.8069 -0.8069 4.6295 4.6295 4.6369 4.6369 5.0101 5.0101 5.0387 5.0387 5.8798 5.8798 5.8923 5.8923 6.0285 6.0285 6.0308 6.0308 6.3509 6.3509 6.3648 6.3648 6.8939 6.8939 6.9157 6.9157 9.5044 9.5044 9.5124 9.5124 10.2777 10.2777 10.2912 10.2912 11.1978 11.1978 11.2439 11.2439 k = 0.2222 0.3849 0.1467 ( 5942 PWs) bands (ev): -1.1274 -1.1274 -1.1249 -1.1249 -0.8366 -0.8366 -0.8206 -0.8206 4.6705 4.6705 4.6782 4.6782 4.9985 4.9985 5.0247 5.0247 5.8886 5.8886 5.9014 5.9014 6.0794 6.0794 6.0811 6.0811 6.3813 6.3813 6.3934 6.3934 6.9129 6.9129 6.9370 6.9370 9.4456 9.4456 9.4527 9.4527 10.2977 10.2977 10.3095 10.3095 11.1433 11.1433 11.1905 11.1905 k = 0.2164 0.3748 0.1467 ( 5946 PWs) bands (ev): -1.1708 -1.1708 -1.1681 -1.1681 -0.8479 -0.8479 -0.8333 -0.8333 4.7140 4.7140 4.7228 4.7228 4.9860 4.9860 5.0090 5.0090 5.8999 5.8999 5.9127 5.9127 6.1298 6.1298 6.1309 6.1309 6.4128 6.4128 6.4231 6.4231 6.9333 6.9333 6.9597 6.9597 9.3885 9.3885 9.3948 9.3948 10.3211 10.3211 10.3314 10.3314 11.0845 11.0845 11.1324 11.1324 k = 0.2105 0.3646 0.1467 ( 5942 PWs) bands (ev): -1.2165 -1.2165 -1.2136 -1.2136 -0.8586 -0.8586 -0.8452 -0.8452 4.7574 4.7574 4.7687 4.7687 4.9752 4.9752 4.9934 4.9934 5.9137 5.9137 5.9264 5.9264 6.1795 6.1795 6.1797 6.1797 6.4451 6.4451 6.4537 6.4537 6.9554 6.9554 6.9842 6.9842 9.3336 9.3336 9.3391 9.3391 10.3475 10.3475 10.3564 10.3564 11.0218 11.0218 11.0700 11.0700 k = 0.2047 0.3545 0.1467 ( 5926 PWs) bands (ev): -1.2639 -1.2639 -1.2610 -1.2610 -0.8687 -0.8687 -0.8565 -0.8565 4.7952 4.7952 4.8117 4.8117 4.9717 4.9717 4.9824 4.9824 5.9295 5.9295 5.9421 5.9421 6.2276 6.2276 6.2282 6.2282 6.4780 6.4780 6.4851 6.4851 6.9795 6.9795 7.0107 7.0107 9.2811 9.2811 9.2859 9.2859 10.3764 10.3764 10.3840 10.3840 10.9557 10.9557 11.0040 11.0040 k = 0.1988 0.3444 0.1467 ( 5932 PWs) bands (ev): -1.3129 -1.3129 -1.3100 -1.3100 -0.8784 -0.8784 -0.8672 -0.8672 4.8173 4.8173 4.8411 4.8411 4.9855 4.9855 4.9866 4.9866 5.9470 5.9470 5.9594 5.9594 6.2746 6.2746 6.2759 6.2759 6.5114 6.5114 6.5169 6.5169 7.0061 7.0061 7.0394 7.0394 9.2314 9.2314 9.2357 9.2357 10.4070 10.4070 10.4135 10.4135 10.8868 10.8868 10.9352 10.9352 k = 0.1930 0.3343 0.1467 ( 5928 PWs) bands (ev): -1.3631 -1.3631 -1.3602 -1.3602 -0.8876 -0.8876 -0.8774 -0.8774 4.8180 4.8180 4.8454 4.8454 5.0177 5.0177 5.0226 5.0226 5.9654 5.9654 5.9776 5.9776 6.3206 6.3206 6.3224 6.3224 6.5451 6.5451 6.5491 6.5491 7.0352 7.0352 7.0706 7.0706 9.1850 9.1850 9.1887 9.1887 10.4384 10.4384 10.4441 10.4441 10.8163 10.8163 10.8647 10.8647 k = 0.1871 0.3241 0.1467 ( 5934 PWs) bands (ev): -1.4141 -1.4141 -1.4114 -1.4114 -0.8966 -0.8966 -0.8872 -0.8872 4.8035 4.8035 4.8302 4.8302 5.0703 5.0703 5.0767 5.0767 5.9844 5.9844 5.9963 5.9963 6.3654 6.3654 6.3675 6.3675 6.5795 6.5795 6.5819 6.5819 7.0672 7.0672 7.1043 7.1043 9.1421 9.1421 9.1454 9.1454 10.4688 10.4688 10.4741 10.4741 10.7460 10.7460 10.7948 10.7948 k = 0.1813 0.3140 0.1467 ( 5922 PWs) bands (ev): -1.4658 -1.4658 -1.4632 -1.4632 -0.9053 -0.9053 -0.8967 -0.8967 4.7813 4.7813 4.8059 4.8059 5.1340 5.1340 5.1406 5.1406 6.0033 6.0033 6.0150 6.0150 6.4087 6.4087 6.4106 6.4106 6.6148 6.6148 6.6156 6.6156 7.1021 7.1021 7.1405 7.1405 9.1032 9.1032 9.1059 9.1059 10.4941 10.4941 10.4989 10.4989 10.6807 10.6807 10.7297 10.7297 k = 0.1754 0.3039 0.1467 ( 5920 PWs) bands (ev): -1.5179 -1.5179 -1.5154 -1.5154 -0.9138 -0.9138 -0.9060 -0.9060 4.7550 4.7550 4.7775 4.7775 5.2039 5.2039 5.2105 5.2105 6.0219 6.0219 6.0334 6.0334 6.4497 6.4497 6.4510 6.4510 6.6510 6.6510 6.6521 6.6521 7.1396 7.1396 7.1791 7.1791 9.0684 9.0684 9.0708 9.0708 10.5030 10.5030 10.5032 10.5032 10.6361 10.6361 10.6809 10.6809 k = 0.1696 0.2937 0.1467 ( 5916 PWs) bands (ev): -1.5701 -1.5701 -1.5678 -1.5678 -0.9221 -0.9221 -0.9150 -0.9150 4.7265 4.7265 4.7469 4.7469 5.2781 5.2781 5.2846 5.2846 6.0400 6.0400 6.0512 6.0512 6.4874 6.4874 6.4876 6.4876 6.6889 6.6889 6.6923 6.6923 7.1796 7.1796 7.2200 7.2200 9.0382 9.0382 9.0401 9.0401 10.4642 10.4642 10.4778 10.4778 10.6345 10.6345 10.6666 10.6666 k = 0.1637 0.2836 0.1467 ( 5910 PWs) bands (ev): -1.6222 -1.6222 -1.6201 -1.6201 -0.9303 -0.9303 -0.9239 -0.9239 4.6966 4.6966 4.7151 4.7151 5.3556 5.3556 5.3621 5.3621 6.0572 6.0572 6.0683 6.0683 6.5194 6.5194 6.5207 6.5207 6.7305 6.7305 6.7363 6.7363 7.2218 7.2218 7.2627 7.2627 9.0129 9.0129 9.0144 9.0144 10.3999 10.3999 10.4224 10.4224 10.6587 10.6587 10.6829 10.6829 k = 0.1579 0.2735 0.1467 ( 5916 PWs) bands (ev): -1.6741 -1.6741 -1.6722 -1.6722 -0.9384 -0.9384 -0.9326 -0.9326 4.6660 4.6660 4.6827 4.6827 5.4358 5.4358 5.4423 5.4423 6.0738 6.0738 6.0845 6.0845 6.5461 6.5461 6.5490 6.5490 6.7765 6.7765 6.7845 6.7845 7.2658 7.2658 7.3070 7.3070 8.9926 8.9926 8.9938 8.9938 10.3286 10.3286 10.3549 10.3549 10.6905 10.6905 10.7118 10.7118 k = 0.1520 0.2634 0.1467 ( 5936 PWs) bands (ev): -1.7254 -1.7254 -1.7237 -1.7237 -0.9463 -0.9463 -0.9411 -0.9411 4.6350 4.6350 4.6500 4.6500 5.5183 5.5183 5.5247 5.5247 6.0895 6.0895 6.1000 6.1000 6.5677 6.5677 6.5719 6.5719 6.8268 6.8268 6.8369 6.8369 7.3109 7.3109 7.3523 7.3523 8.9778 8.9778 8.9785 8.9785 10.2559 10.2559 10.2837 10.2837 10.7243 10.7243 10.7449 10.7449 k = 0.1462 0.2532 0.1467 ( 5928 PWs) bands (ev): -1.7762 -1.7762 -1.7746 -1.7746 -0.9542 -0.9542 -0.9495 -0.9495 4.6040 4.6040 4.6174 4.6174 5.6025 5.6025 5.6088 5.6088 6.1047 6.1047 6.1149 6.1149 6.5849 6.5849 6.5901 6.5901 6.8810 6.8810 6.8929 6.8929 7.3569 7.3569 7.3983 7.3983 8.9686 8.9686 8.9690 8.9690 10.1837 10.1837 10.2121 10.2121 10.7584 10.7584 10.7791 10.7791 k = 0.1404 0.2431 0.1467 ( 5922 PWs) bands (ev): -1.8261 -1.8261 -1.8247 -1.8247 -0.9619 -0.9619 -0.9577 -0.9577 4.5731 4.5731 4.5850 4.5850 5.6881 5.6881 5.6944 5.6944 6.1193 6.1193 6.1292 6.1292 6.5982 6.5982 6.6042 6.6042 6.9384 6.9384 6.9517 6.9517 7.4032 7.4032 7.4445 7.4445 8.9651 8.9651 8.9653 8.9653 10.1130 10.1130 10.1416 10.1416 10.7918 10.7918 10.8131 10.8131 k = 0.1345 0.2330 0.1467 ( 5928 PWs) bands (ev): -1.8750 -1.8750 -1.8738 -1.8738 -0.9696 -0.9696 -0.9659 -0.9659 4.5425 4.5425 4.5531 4.5531 5.7746 5.7746 5.7807 5.7807 6.1337 6.1337 6.1432 6.1432 6.6087 6.6087 6.6150 6.6150 6.9980 6.9980 7.0125 7.0125 7.4494 7.4494 7.4906 7.4906 8.9676 8.9676 8.9677 8.9677 10.0446 10.0446 10.0731 10.0731 10.8241 10.8241 10.8459 10.8459 k = 0.1287 0.2228 0.1467 ( 5920 PWs) bands (ev): -1.9229 -1.9229 -1.9218 -1.9218 -0.9772 -0.9772 -0.9739 -0.9739 4.5124 4.5124 4.5217 4.5217 5.8612 5.8612 5.8671 5.8671 6.1480 6.1480 6.1571 6.1571 6.6170 6.6170 6.6236 6.6236 7.0589 7.0589 7.0744 7.0744 7.4953 7.4953 7.5362 7.5362 8.9759 8.9759 8.9762 8.9762 9.9789 9.9789 10.0072 10.0072 10.8551 10.8551 10.8771 10.8771 k = 0.1228 0.2127 0.1467 ( 5920 PWs) bands (ev): -1.9694 -1.9694 -1.9685 -1.9685 -0.9847 -0.9847 -0.9818 -0.9818 4.4830 4.4830 4.4911 4.4911 5.9470 5.9470 5.9526 5.9526 6.1627 6.1627 6.1712 6.1712 6.6244 6.6244 6.6308 6.6308 7.1203 7.1203 7.1366 7.1366 7.5406 7.5406 7.5812 7.5812 8.9904 8.9904 8.9907 8.9907 9.9164 9.9164 9.9445 9.9445 10.8843 10.8843 10.9064 10.9064 k = 0.1170 0.2026 0.1467 ( 5916 PWs) bands (ev): -2.0146 -2.0146 -2.0138 -2.0138 -0.9920 -0.9920 -0.9895 -0.9895 4.4543 4.4543 4.4613 4.4613 6.0302 6.0302 6.0355 6.0355 6.1784 6.1784 6.1863 6.1863 6.6320 6.6320 6.6380 6.6380 7.1813 7.1813 7.1983 7.1983 7.5853 7.5853 7.6255 7.6255 9.0107 9.0107 9.0111 9.0111 9.8576 9.8576 9.8853 9.8853 10.9117 10.9117 10.9332 10.9332 k = 0.1111 0.1925 0.1467 ( 5922 PWs) bands (ev): -2.0583 -2.0583 -2.0576 -2.0576 -0.9992 -0.9992 -0.9970 -0.9970 4.4264 4.4264 4.4325 4.4325 6.1071 6.1071 6.1123 6.1123 6.1974 6.1974 6.2042 6.2042 6.6414 6.6414 6.6468 6.6468 7.2412 7.2412 7.2586 7.2586 7.6296 7.6296 7.6692 7.6692 9.0367 9.0367 9.0371 9.0371 9.8029 9.8029 9.8301 9.8301 10.9368 10.9368 10.9572 10.9572 k = 0.1053 0.1823 0.1467 ( 5928 PWs) bands (ev): -2.1003 -2.1003 -2.0997 -2.0997 -1.0063 -1.0063 -1.0044 -1.0044 4.3995 4.3995 4.4047 4.4047 6.1666 6.1666 6.1727 6.1727 6.2285 6.2285 6.2330 6.2330 6.6552 6.6552 6.6596 6.6596 7.2992 7.2992 7.3167 7.3167 7.6738 7.6738 7.7124 7.7124 9.0681 9.0681 9.0683 9.0683 9.7526 9.7526 9.7793 9.7793 10.9591 10.9591 10.9776 10.9776 k = 0.0994 0.1722 0.1467 ( 5926 PWs) bands (ev): -2.1407 -2.1407 -2.1401 -2.1401 -1.0132 -1.0132 -1.0116 -1.0116 4.3736 4.3736 4.3779 4.3779 6.1983 6.1983 6.2052 6.2052 6.2790 6.2790 6.2810 6.2810 6.6765 6.6765 6.6795 6.6795 7.3547 7.3547 7.3720 7.3720 7.7180 7.7180 7.7555 7.7555 9.1042 9.1042 9.1042 9.1042 9.7072 9.7072 9.7333 9.7333 10.9775 10.9775 10.9926 10.9926 k = 0.0936 0.1621 0.1467 ( 5930 PWs) bands (ev): -2.1792 -2.1792 -2.1787 -2.1787 -1.0200 -1.0200 -1.0186 -1.0186 4.3487 4.3487 4.3524 4.3524 6.2175 6.2175 6.2242 6.2242 6.3298 6.3298 6.3299 6.3299 6.7086 6.7086 6.7100 6.7100 7.4073 7.4073 7.4241 7.4241 7.7626 7.7626 7.7986 7.7986 9.1441 9.1441 9.1444 9.1444 9.6671 9.6671 9.6924 9.6924 10.9888 10.9888 10.9973 10.9973 k = 0.0877 0.1519 0.1467 ( 5924 PWs) bands (ev): -2.2158 -2.2158 -2.2154 -2.2154 -1.0265 -1.0265 -1.0254 -1.0254 4.3251 4.3251 4.3281 4.3281 6.2336 6.2336 6.2399 6.2399 6.3674 6.3674 6.3688 6.3688 6.7532 6.7532 6.7534 6.7534 7.4570 7.4570 7.4731 7.4731 7.8076 7.8076 7.8417 7.8417 9.1873 9.1873 9.1881 9.1881 9.6326 9.6326 9.6569 9.6569 10.9790 10.9790 10.9841 10.9841 k = 0.0819 0.1418 0.1467 ( 5930 PWs) bands (ev): -2.2504 -2.2504 -2.2501 -2.2501 -1.0327 -1.0327 -1.0318 -1.0318 4.3027 4.3027 4.3052 4.3052 6.2487 6.2487 6.2545 6.2545 6.3917 6.3917 6.3944 6.3944 6.8082 6.8082 6.8096 6.8096 7.5043 7.5043 7.5193 7.5193 7.8527 7.8527 7.8846 7.8846 9.2330 9.2330 9.2344 9.2344 9.6040 9.6040 9.6273 9.6273 10.9239 10.9239 10.9445 10.9445 k = 0.0760 0.1317 0.1467 ( 5940 PWs) bands (ev): -2.2829 -2.2829 -2.2827 -2.2827 -1.0387 -1.0387 -1.0380 -1.0380 4.2816 4.2816 4.2836 4.2836 6.2633 6.2633 6.2686 6.2686 6.4055 6.4055 6.4088 6.4088 6.8711 6.8711 6.8731 6.8731 7.5501 7.5501 7.5640 7.5640 7.8973 7.8973 7.9268 7.9268 9.2801 9.2801 9.2823 9.2823 9.5818 9.5818 9.6036 9.6036 10.8430 10.8430 10.8692 10.8692 k = 0.0702 0.1215 0.1467 ( 5936 PWs) bands (ev): -2.3133 -2.3133 -2.3132 -2.3132 -1.0445 -1.0445 -1.0439 -1.0439 4.2618 4.2618 4.2634 4.2634 6.2775 6.2775 6.2824 6.2824 6.4118 6.4118 6.4154 6.4154 6.9372 6.9372 6.9395 6.9395 7.5958 7.5958 7.6086 7.6086 7.9408 7.9408 7.9678 7.9678 9.3278 9.3278 9.3309 9.3309 9.5661 9.5661 9.5862 9.5862 10.7504 10.7504 10.7767 10.7767 k = 0.0643 0.1114 0.1467 ( 5936 PWs) bands (ev): -2.3415 -2.3415 -2.3414 -2.3414 -1.0498 -1.0498 -1.0494 -1.0494 4.2435 4.2435 4.2447 4.2447 6.2913 6.2913 6.2958 6.2958 6.4133 6.4133 6.4170 6.4170 7.0024 7.0024 7.0046 7.0046 7.6431 7.6431 7.6549 7.6549 7.9823 7.9823 8.0068 8.0068 9.3749 9.3749 9.3793 9.3793 9.5571 9.5571 9.5749 9.5749 10.6519 10.6519 10.6767 10.6767 k = 0.0585 0.1013 0.1467 ( 5940 PWs) bands (ev): -2.3675 -2.3675 -2.3674 -2.3674 -1.0549 -1.0549 -1.0545 -1.0545 4.2266 4.2266 4.2275 4.2275 6.3047 6.3047 6.3087 6.3087 6.4119 6.4119 6.4154 6.4154 7.0633 7.0633 7.0652 7.0652 7.6935 7.6935 7.7045 7.7045 8.0210 8.0210 8.0430 8.0430 9.4204 9.4204 9.4265 9.4265 9.5548 9.5548 9.5697 9.5697 10.5505 10.5505 10.5731 10.5731 k = 0.0526 0.0912 0.1467 ( 5948 PWs) bands (ev): -2.3911 -2.3911 -2.3911 -2.3911 -1.0595 -1.0595 -1.0593 -1.0593 4.2111 4.2111 4.2118 4.2118 6.3174 6.3174 6.3210 6.3210 6.4087 6.4087 6.4120 6.4120 7.1176 7.1176 7.1191 7.1191 7.7483 7.7483 7.7585 7.7585 8.0563 8.0563 8.0758 8.0758 9.4631 9.4631 9.4714 9.4714 9.5593 9.5593 9.5703 9.5703 10.4480 10.4480 10.4681 10.4681 k = 0.0468 0.0810 0.1467 ( 5948 PWs) bands (ev): -2.4124 -2.4124 -2.4123 -2.4123 -1.0638 -1.0638 -1.0636 -1.0636 4.1972 4.1972 4.1977 4.1977 6.3294 6.3294 6.3326 6.3326 6.4046 6.4046 6.4076 6.4076 7.1638 7.1638 7.1649 7.1649 7.8078 7.8078 7.8174 7.8174 8.0877 8.0877 8.1048 8.1048 9.5014 9.5014 9.5131 9.5131 9.5703 9.5703 9.5761 9.5761 10.3461 10.3461 10.3636 10.3636 k = 0.0409 0.0709 0.1467 ( 5950 PWs) bands (ev): -2.4313 -2.4313 -2.4312 -2.4312 -1.0676 -1.0676 -1.0675 -1.0675 4.1848 4.1848 4.1852 4.1852 6.3405 6.3405 6.3433 6.3433 6.4001 6.4001 6.4028 6.4028 7.2016 7.2016 7.2024 7.2024 7.8713 7.8713 7.8803 7.8803 8.1150 8.1150 8.1298 8.1298 9.5344 9.5344 9.5504 9.5504 9.5865 9.5865 9.5873 9.5873 10.2467 10.2467 10.2616 10.2616 k = 0.0351 0.0608 0.1467 ( 5966 PWs) bands (ev): -2.4477 -2.4477 -2.4477 -2.4477 -1.0709 -1.0709 -1.0709 -1.0709 4.1741 4.1741 4.1743 4.1743 6.3505 6.3505 6.3529 6.3529 6.3957 6.3957 6.3981 6.3981 7.2315 7.2315 7.2320 7.2320 7.9371 7.9371 7.9454 7.9454 8.1382 8.1382 8.1507 8.1507 9.5621 9.5621 9.5817 9.5817 9.6012 9.6012 9.6082 9.6082 10.1520 10.1520 10.1641 10.1641 k = 0.0292 0.0506 0.1467 ( 5966 PWs) bands (ev): -2.4616 -2.4616 -2.4616 -2.4616 -1.0738 -1.0738 -1.0738 -1.0738 4.1649 4.1649 4.1650 4.1650 6.3593 6.3593 6.3613 6.3613 6.3917 6.3917 6.3936 6.3936 7.2544 7.2544 7.2547 7.2547 8.0025 8.0025 8.0100 8.0100 8.1573 8.1573 8.1676 8.1676 9.5861 9.5861 9.6049 9.6049 9.6201 9.6201 9.6292 9.6292 10.0646 10.0646 10.0738 10.0738 k = 0.0234 0.0405 0.1467 ( 5970 PWs) bands (ev): -2.4731 -2.4731 -2.4731 -2.4731 -1.0762 -1.0762 -1.0762 -1.0762 4.1574 4.1574 4.1574 4.1574 6.3667 6.3667 6.3683 6.3683 6.3883 6.3883 6.3898 6.3898 7.2714 7.2714 7.2716 7.2716 8.0643 8.0643 8.0709 8.0709 8.1726 8.1726 8.1807 8.1807 9.6076 9.6076 9.6223 9.6223 9.6388 9.6388 9.6468 9.6468 9.9876 9.9876 9.9938 9.9938 k = 0.0175 0.0304 0.1467 ( 5966 PWs) bands (ev): -2.4820 -2.4820 -2.4820 -2.4820 -1.0781 -1.0781 -1.0781 -1.0781 4.1515 4.1515 4.1515 4.1515 6.3725 6.3725 6.3736 6.3736 6.3857 6.3857 6.3868 6.3868 7.2836 7.2836 7.2836 7.2836 8.1188 8.1188 8.1240 8.1240 8.1844 8.1844 8.1904 8.1904 9.6264 9.6264 9.6364 9.6364 9.6527 9.6527 9.6590 9.6590 9.9245 9.9245 9.9279 9.9279 k = 0.0117 0.0203 0.1467 ( 5970 PWs) bands (ev): -2.4884 -2.4884 -2.4884 -2.4884 -1.0794 -1.0794 -1.0794 -1.0794 4.1473 4.1473 4.1473 4.1473 6.3765 6.3765 6.3770 6.3770 6.3843 6.3843 6.3848 6.3848 7.2917 7.2917 7.2917 7.2917 8.1619 8.1619 8.1656 8.1656 8.1928 8.1928 8.1968 8.1968 9.6416 9.6416 9.6467 9.6467 9.6610 9.6610 9.6647 9.6647 9.8784 9.8784 9.8796 9.8796 k = 0.0058 0.0101 0.1467 ( 5970 PWs) bands (ev): -2.4923 -2.4923 -2.4923 -2.4923 -1.0802 -1.0802 -1.0802 -1.0802 4.1447 4.1447 4.1447 4.1447 6.3783 6.3783 6.3784 6.3784 6.3841 6.3841 6.3842 6.3842 7.2963 7.2963 7.2963 7.2963 8.1899 8.1899 8.1917 8.1917 8.1984 8.1984 8.2003 8.2003 9.6516 9.6516 9.6528 9.6528 9.6647 9.6647 9.6657 9.6657 9.8509 9.8509 9.8511 9.8511 k = 0.0000 0.0000 0.1467 ( 5958 PWs) bands (ev): -2.4935 -2.4935 -2.4935 -2.4935 -1.0805 -1.0805 -1.0805 -1.0805 4.1439 4.1439 4.1439 4.1439 6.3786 6.3786 6.3786 6.3786 6.3842 6.3842 6.3842 6.3842 7.2978 7.2978 7.2978 7.2978 8.1992 8.1992 8.1992 8.1992 8.2019 8.2019 8.2019 8.2019 9.6549 9.6549 9.6549 9.6549 9.6655 9.6655 9.6655 9.6655 9.8419 9.8419 9.8419 9.8419 k = 0.5000 0.2887 0.1467 ( 5956 PWs) bands (ev): -1.1034 -1.1034 -1.1034 -1.1034 -0.5691 -0.5691 -0.5691 -0.5691 3.7785 3.7785 3.7785 3.7785 5.1949 5.1949 5.1949 5.1949 5.6870 5.6870 5.6870 5.6870 6.2204 6.2204 6.2204 6.2204 6.9016 6.9016 6.9016 6.9016 7.7100 7.7100 7.7100 7.7100 8.0716 8.0716 8.0716 8.0716 10.4727 10.4727 10.4727 10.4727 11.8670 11.8670 11.8670 11.8670 k = 0.5000 0.2887 0.1354 ( 5962 PWs) bands (ev): -1.1162 -1.1162 -1.0898 -1.0898 -0.5852 -0.5852 -0.5538 -0.5538 3.7490 3.7490 3.8100 3.8100 5.1598 5.1598 5.2256 5.2256 5.6748 5.6748 5.7015 5.7015 6.1881 6.1881 6.2552 6.2552 6.8889 6.8889 6.9161 6.9161 7.6439 7.6439 7.7746 7.7746 8.0071 8.0071 8.1382 8.1382 10.3764 10.3764 10.5681 10.5681 11.7886 11.7886 11.9439 11.9439 k = 0.5000 0.2887 0.1242 ( 5960 PWs) bands (ev): -1.1282 -1.1282 -1.0755 -1.0755 -0.6019 -0.6019 -0.5394 -0.5394 3.7216 3.7216 3.8433 3.8433 5.1208 5.1208 5.2519 5.2519 5.6647 5.6647 5.7179 5.7179 6.1582 6.1582 6.2923 6.2923 6.8781 6.8781 6.9324 6.9324 7.5767 7.5767 7.8365 7.8365 7.9454 7.9454 8.2064 8.2064 10.2798 10.2798 10.6622 10.6622 11.7107 11.7107 12.0164 12.0164 k = 0.5000 0.2887 0.1129 ( 5956 PWs) bands (ev): -1.1393 -1.1393 -1.0607 -1.0607 -0.6192 -0.6192 -0.5259 -0.5259 3.6964 3.6964 3.8782 3.8782 5.0786 5.0786 5.2739 5.2739 5.6568 5.6568 5.7359 5.7359 6.1308 6.1308 6.3317 6.3317 6.8692 6.8692 6.9504 6.9504 7.5088 7.5088 7.8733 7.8733 7.9088 7.9088 8.2761 8.2761 10.1836 10.1836 10.7543 10.7543 11.6349 11.6349 12.0806 12.0806 k = 0.5000 0.2887 0.1016 ( 5964 PWs) bands (ev): -1.1495 -1.1495 -1.0453 -1.0453 -0.6368 -0.6368 -0.5135 -0.5135 3.6734 3.6734 3.9145 3.9145 5.0338 5.0338 5.2917 5.2917 5.6507 5.6507 5.7548 5.7548 6.1060 6.1060 6.3734 6.3734 6.8620 6.8620 6.9700 6.9700 7.4407 7.4407 7.8224 7.8224 7.9593 7.9593 8.3469 8.3469 10.0880 10.0880 10.8436 10.8436 11.5623 11.5623 12.1314 12.1318 k = 0.5000 0.2887 0.0903 ( 5956 PWs) bands (ev): -1.1586 -1.1586 -1.0295 -1.0295 -0.6547 -0.6547 -0.5021 -0.5021 3.6527 3.6527 3.9517 3.9517 4.9873 4.9873 5.3060 5.3060 5.6462 5.6462 5.7739 5.7739 6.0836 6.0836 6.4172 6.4172 6.8564 6.8564 6.9910 6.9910 7.3726 7.3726 7.7675 7.7675 8.0129 8.0129 8.4185 8.4185 9.9939 9.9939 10.9293 10.9293 11.4941 11.4941 12.1452 12.1452 k = 0.5000 0.2887 0.0790 ( 5956 PWs) bands (ev): -1.1668 -1.1668 -1.0136 -1.0136 -0.6726 -0.6726 -0.4920 -0.4920 3.6344 3.6344 3.9896 3.9896 4.9402 4.9402 5.3171 5.3171 5.6429 5.6429 5.7925 5.7925 6.0639 6.0639 6.4632 6.4632 6.8524 6.8524 7.0129 7.0129 7.3049 7.3049 7.7151 7.7151 8.0629 8.0629 8.4904 8.4904 9.9016 9.9016 11.0104 11.0104 11.4311 11.4311 12.1400 12.1400 k = 0.5000 0.2887 0.0677 ( 5952 PWs) bands (ev): -1.1740 -1.1740 -0.9978 -0.9978 -0.6902 -0.6902 -0.4831 -0.4831 3.6184 3.6184 4.0274 4.0274 4.8934 4.8934 5.3257 5.3257 5.6406 5.6406 5.8099 5.8099 6.0467 6.0467 6.5112 6.5112 6.8496 6.8496 7.0354 7.0354 7.2380 7.2380 7.6658 7.6658 8.1082 8.1082 8.5620 8.5620 9.8122 9.8122 11.0856 11.0856 11.3743 11.3743 12.1344 12.1344 k = 0.5000 0.2887 0.0564 ( 5952 PWs) bands (ev): -1.1801 -1.1801 -0.9823 -0.9823 -0.7072 -0.7072 -0.4755 -0.4755 3.6049 3.6049 4.0642 4.0642 4.8483 4.8483 5.3322 5.3322 5.6390 5.6390 5.8254 5.8254 6.0322 6.0322 6.5610 6.5610 6.8479 6.8479 7.0574 7.0574 7.1725 7.1725 7.6205 7.6205 8.1482 8.1482 8.6321 8.6321 9.7268 9.7268 11.1536 11.1536 11.3245 11.3245 12.1293 12.1293 k = 0.5000 0.2887 0.0451 ( 5954 PWs) bands (ev): -1.1851 -1.1851 -0.9677 -0.9677 -0.7232 -0.7232 -0.4692 -0.4692 3.5938 3.5938 4.0988 4.0988 4.8064 4.8064 5.3370 5.3370 5.6380 5.6380 5.8387 5.8387 6.0202 6.0202 6.6125 6.6125 6.8471 6.8471 7.0736 7.0736 7.1133 7.1133 7.5798 7.5798 8.1820 8.1820 8.6993 8.6993 9.6470 9.6470 11.2128 11.2128 11.2825 11.2825 12.1252 12.1252 k = 0.5000 0.2887 0.0339 ( 5952 PWs) bands (ev): -1.1890 -1.1890 -0.9545 -0.9545 -0.7373 -0.7373 -0.4642 -0.4642 3.5852 3.5852 4.1296 4.1296 4.7697 4.7697 5.3404 5.3404 5.6373 5.6373 5.8494 5.8494 6.0109 6.0109 6.6652 6.6652 6.8470 6.8470 7.0368 7.0368 7.1068 7.1068 7.5451 7.5451 8.2090 8.2090 8.7608 8.7608 9.5755 9.5755 11.2488 11.2488 11.2617 11.2617 12.1219 12.1219 k = 0.5000 0.2887 0.0226 ( 5956 PWs) bands (ev): -1.1918 -1.1918 -0.9438 -0.9438 -0.7488 -0.7488 -0.4607 -0.4607 3.5790 3.5790 4.1544 4.1544 4.7406 4.7406 5.3427 5.3427 5.6370 5.6370 5.8572 5.8572 6.0042 6.0042 6.7180 6.7180 6.8479 6.8479 6.9774 6.9774 7.1216 7.1216 7.5179 7.5179 8.2288 8.2288 8.8125 8.8125 9.5167 9.5167 11.2246 11.2246 11.2979 11.2979 12.1196 12.1196 k = 0.5000 0.2887 0.0113 ( 5968 PWs) bands (ev): -1.1935 -1.1935 -0.9367 -0.9367 -0.7563 -0.7563 -0.4586 -0.4586 3.5753 3.5753 4.1707 4.1707 4.7216 4.7216 5.3440 5.3440 5.6368 5.6368 5.8620 5.8620 6.0002 6.0002 6.7666 6.7666 6.8515 6.8515 6.9209 6.9209 7.1326 7.1326 7.5003 7.5003 8.2408 8.2408 8.8482 8.8482 9.4767 9.4767 11.2098 11.2098 11.3205 11.3205 12.1182 12.1182 k = 0.5000 0.2887-0.0000 ( 5954 PWs) bands (ev): -1.1941 -1.1941 -0.9342 -0.9342 -0.7590 -0.7590 -0.4578 -0.4578 3.5741 3.5741 4.1764 4.1764 4.7150 4.7150 5.3444 5.3444 5.6367 5.6367 5.8635 5.8635 5.9989 5.9989 6.7915 6.7915 6.8621 6.8621 6.8841 6.8841 7.1365 7.1365 7.4942 7.4942 8.2449 8.2449 8.8612 8.8612 9.4623 9.4623 11.2048 11.2048 11.3282 11.3282 12.1177 12.1177 k = 0.3333 0.5774-0.0000 ( 5976 PWs) bands (ev): -0.8065 -0.8065 -0.7939 -0.7939 -0.6291 -0.6291 -0.5963 -0.5963 4.6616 4.6616 4.6751 4.6751 4.9224 4.9224 4.9706 4.9706 5.1021 5.1021 5.1374 5.1374 6.0829 6.0829 6.0843 6.0843 6.2375 6.2375 6.2601 6.2601 6.4943 6.4943 6.5200 6.5200 9.9945 9.9945 10.6666 10.6666 10.7035 10.7035 11.0001 11.0001 11.1683 11.1683 11.2888 11.2888 k = 0.3333 0.5774 0.0113 ( 5967 PWs) bands (ev): -0.8064 -0.8064 -0.7939 -0.7939 -0.6291 -0.6291 -0.5963 -0.5963 4.6616 4.6616 4.6752 4.6752 4.9224 4.9224 4.9706 4.9706 5.1024 5.1024 5.1374 5.1374 6.0823 6.0823 6.0848 6.0848 6.2346 6.2346 6.2578 6.2578 6.4972 6.4972 6.5224 6.5224 9.9965 9.9965 10.6672 10.6672 10.7043 10.7043 10.9765 10.9765 11.1932 11.1932 11.2793 11.2793 k = 0.3333 0.5774 0.0226 ( 5973 PWs) bands (ev): -0.8063 -0.8063 -0.7940 -0.7940 -0.6291 -0.6291 -0.5963 -0.5963 4.6615 4.6615 4.6756 4.6756 4.9225 4.9225 4.9706 4.9706 5.1031 5.1031 5.1375 5.1375 6.0813 6.0813 6.0856 6.0856 6.2264 6.2264 6.2513 6.2513 6.5054 6.5054 6.5292 6.5292 10.0023 10.0023 10.6688 10.6688 10.7069 10.7069 10.9265 10.9265 11.2469 11.2477 11.2537 11.2537 k = 0.3333 0.5774 0.0339 ( 5970 PWs) bands (ev): -0.8061 -0.8061 -0.7943 -0.7943 -0.6291 -0.6291 -0.5963 -0.5963 4.6615 4.6615 4.6761 4.6761 4.9225 4.9225 4.9707 4.9707 5.1044 5.1044 5.1375 5.1375 6.0802 6.0802 6.0864 6.0864 6.2141 6.2141 6.2415 6.2415 6.5175 6.5175 6.5396 6.5396 10.0120 10.0120 10.6713 10.6713 10.7111 10.7111 10.8694 10.8694 11.2180 11.2180 11.2517 11.2517 k = 0.3333 0.5774 0.0451 ( 5958 PWs) bands (ev): -0.8057 -0.8057 -0.7946 -0.7946 -0.6291 -0.6291 -0.5963 -0.5963 4.6614 4.6614 4.6767 4.6767 4.9226 4.9226 4.9707 4.9707 5.1060 5.1060 5.1376 5.1376 6.0791 6.0791 6.0872 6.0872 6.1993 6.1993 6.2296 6.2296 6.5322 6.5322 6.5523 6.5523 10.0255 10.0255 10.6735 10.6735 10.7171 10.7171 10.8121 10.8121 11.1771 11.1771 11.2080 11.2080 k = 0.3333 0.5774 0.0564 ( 5955 PWs) bands (ev): -0.8053 -0.8053 -0.7950 -0.7950 -0.6291 -0.6291 -0.5963 -0.5963 4.6614 4.6614 4.6775 4.6775 4.9227 4.9227 4.9708 4.9708 5.1079 5.1079 5.1376 5.1376 6.0779 6.0779 6.0878 6.0878 6.1832 6.1832 6.2165 6.2165 6.5480 6.5480 6.5662 6.5662 10.0428 10.0428 10.6717 10.6717 10.7247 10.7247 10.7602 10.7602 11.1344 11.1344 11.1628 11.1628 k = 0.3333 0.5774 0.0677 ( 5961 PWs) bands (ev): -0.8049 -0.8049 -0.7954 -0.7954 -0.6291 -0.6291 -0.5963 -0.5963 4.6613 4.6613 4.6784 4.6784 4.9228 4.9228 4.9708 4.9708 5.1101 5.1101 5.1377 5.1377 6.0768 6.0768 6.0884 6.0884 6.1669 6.1669 6.2033 6.2033 6.5640 6.5640 6.5804 6.5804 10.0638 10.0638 10.6523 10.6523 10.7282 10.7282 10.7342 10.7342 11.0919 11.0919 11.1180 11.1180 k = 0.3333 0.5774 0.0790 ( 5955 PWs) bands (ev): -0.8043 -0.8043 -0.7960 -0.7960 -0.6291 -0.6291 -0.5963 -0.5963 4.6612 4.6612 4.6793 4.6793 4.9229 4.9229 4.9709 4.9709 5.1123 5.1123 5.1378 5.1378 6.0757 6.0757 6.0889 6.0889 6.1514 6.1514 6.1907 6.1907 6.5793 6.5793 6.5941 6.5941 10.0883 10.0883 10.6085 10.6085 10.7233 10.7233 10.7455 10.7455 11.0509 11.0509 11.0746 11.0746 k = 0.3333 0.5774 0.0903 ( 5955 PWs) bands (ev): -0.8038 -0.8038 -0.7966 -0.7966 -0.6291 -0.6291 -0.5963 -0.5963 4.6611 4.6611 4.6801 4.6801 4.9230 4.9230 4.9710 4.9710 5.1145 5.1145 5.1379 5.1379 6.0747 6.0747 6.0894 6.0894 6.1372 6.1372 6.1792 6.1792 6.5932 6.5932 6.6066 6.6066 10.1163 10.1163 10.5563 10.5563 10.7298 10.7298 10.7586 10.7586 11.0123 11.0123 11.0334 11.0334 k = 0.3333 0.5774 0.1016 ( 5946 PWs) bands (ev): -0.8031 -0.8031 -0.7972 -0.7972 -0.6291 -0.6291 -0.5963 -0.5963 4.6610 4.6610 4.6809 4.6809 4.9231 4.9231 4.9711 4.9711 5.1165 5.1165 5.1379 5.1379 6.0737 6.0737 6.0897 6.0897 6.1249 6.1249 6.1692 6.1692 6.6052 6.6052 6.6175 6.6175 10.1477 10.1477 10.5032 10.5032 10.7403 10.7403 10.7736 10.7736 10.9769 10.9769 10.9950 10.9950 k = 0.3333 0.5774 0.1129 ( 5946 PWs) bands (ev): -0.8024 -0.8024 -0.7979 -0.7979 -0.6291 -0.6291 -0.5963 -0.5963 4.6610 4.6610 4.6816 4.6816 4.9232 4.9232 4.9711 4.9711 5.1182 5.1182 5.1380 5.1380 6.0730 6.0730 6.0900 6.0900 6.1150 6.1150 6.1612 6.1612 6.6149 6.6149 6.6263 6.6263 10.1822 10.1822 10.4511 10.4511 10.7526 10.7526 10.7904 10.7904 10.9455 10.9455 10.9596 10.9596 k = 0.3333 0.5774 0.1242 ( 5958 PWs) bands (ev): -0.8017 -0.8017 -0.7986 -0.7986 -0.6291 -0.6291 -0.5963 -0.5963 4.6609 4.6609 4.6821 4.6821 4.9232 4.9232 4.9712 4.9712 5.1195 5.1195 5.1380 5.1380 6.0724 6.0724 6.0902 6.0902 6.1076 6.1076 6.1553 6.1553 6.6221 6.6221 6.6329 6.6329 10.2196 10.2196 10.4009 10.4009 10.7651 10.7651 10.8086 10.8086 10.9193 10.9193 10.9280 10.9280 k = 0.3333 0.5774 0.1354 ( 5964 PWs) bands (ev): -0.8010 -0.8010 -0.7993 -0.7993 -0.6291 -0.6291 -0.5963 -0.5963 4.6609 4.6609 4.6824 4.6824 4.9233 4.9233 4.9712 4.9712 5.1203 5.1203 5.1381 5.1381 6.0720 6.0720 6.0904 6.0904 6.1031 6.1031 6.1517 6.1517 6.6264 6.6264 6.6369 6.6369 10.2592 10.2592 10.3535 10.3535 10.7753 10.7753 10.8264 10.8264 10.9009 10.9009 10.9021 10.9021 k = 0.3333 0.5774 0.1467 ( 5964 PWs) bands (ev): -0.8005 -0.8005 -0.7998 -0.7998 -0.6291 -0.6291 -0.5963 -0.5963 4.6609 4.6609 4.6825 4.6825 4.9233 4.9233 4.9712 4.9712 5.1206 5.1206 5.1381 5.1381 6.0719 6.0719 6.0904 6.0904 6.1016 6.1016 6.1505 6.1505 6.6279 6.6279 6.6382 6.6382 10.2905 10.2905 10.3196 10.3196 10.7795 10.7795 10.8359 10.8359 10.8899 10.8899 10.8940 10.8940 Writing output data file ZrP.save init_run : 0.13s CPU 0.25s WALL ( 1 calls) electrons : 249.19s CPU 253.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 249.18s CPU 253.06s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 320 calls) cegterg : 228.72s CPU 231.90s WALL ( 887 calls) Called by sum_band: Called by *egterg: h_psi : 113.71s CPU 115.86s WALL ( 15994 calls) s_psi : 11.00s CPU 11.13s WALL ( 15994 calls) g_psi : 0.48s CPU 0.50s WALL ( 14787 calls) cdiaghg : 86.44s CPU 87.78s WALL ( 15107 calls) cegterg:over : 10.94s CPU 11.00s WALL ( 14787 calls) cegterg:upda : 11.84s CPU 11.71s WALL ( 14787 calls) cegterg:last : 5.02s CPU 5.10s WALL ( 2190 calls) cdiaghg:chol : 5.00s CPU 5.08s WALL ( 15107 calls) cdiaghg:inve : 3.04s CPU 3.01s WALL ( 15107 calls) cdiaghg:para : 5.02s CPU 4.96s WALL ( 30214 calls) Called by h_psi: h_psi:vloc : 85.48s CPU 87.40s WALL ( 15994 calls) h_psi:vnl : 27.74s CPU 27.99s WALL ( 15994 calls) add_vuspsi : 14.38s CPU 14.50s WALL ( 15994 calls) General routines calbec : 13.30s CPU 13.45s WALL ( 15994 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 80.03s CPU 81.97s WALL ( 1188156 calls) davcio : 0.24s CPU 0.35s WALL ( 640 calls) Parallel routines fft_scatter : 37.71s CPU 38.21s WALL ( 1188171 calls) PWSCF : 4m25.05s CPU 4m45.22s WALL This run was terminated on: 21:13:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=