Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:54:58 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: ./Zr2SeN2.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 28 18 5 2730 1342 215 Max 29 19 6 2755 1363 224 Sum 1039 649 199 98943 48651 7879 bravais-lattice index = 14 lattice parameter (alat) = 6.8782 a.u. unit-cell volume = 1019.2327 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.878225 celldm(2)= 1.000000 celldm(3)= 3.616710 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 3.616710 ) 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 0.276494 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Se 6.00 78.96000 Se( 1.00) N 5.00 14.00670 N( 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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 ) ( 1.8083549 ) 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= 319 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 2) = ( 0.0100000 0.0057735 -0.0000000), wk = 0.0031348 k( 3) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0031348 k( 4) = ( 0.0300000 0.0173205 -0.0000000), wk = 0.0031348 k( 5) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0031348 k( 6) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0031348 k( 7) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0031348 k( 8) = ( 0.0700000 0.0404145 -0.0000000), wk = 0.0031348 k( 9) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0031348 k( 10) = ( 0.0900000 0.0519615 -0.0000000), wk = 0.0031348 k( 11) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0031348 k( 12) = ( 0.1100000 0.0635085 -0.0000000), wk = 0.0031348 k( 13) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0031348 k( 14) = ( 0.1300000 0.0750555 -0.0000000), wk = 0.0031348 k( 15) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0031348 k( 16) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0031348 k( 17) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0031348 k( 18) = ( 0.1700000 0.0981495 -0.0000000), wk = 0.0031348 k( 19) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0031348 k( 20) = ( 0.1900000 0.1096966 -0.0000000), wk = 0.0031348 k( 21) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0031348 k( 22) = ( 0.2100000 0.1212436 -0.0000000), wk = 0.0031348 k( 23) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0031348 k( 24) = ( 0.2300000 0.1327906 -0.0000000), wk = 0.0031348 k( 25) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0031348 k( 26) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0031348 k( 27) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0031348 k( 28) = ( 0.2700000 0.1558846 -0.0000000), wk = 0.0031348 k( 29) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0031348 k( 30) = ( 0.2900000 0.1674316 -0.0000000), wk = 0.0031348 k( 31) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0031348 k( 32) = ( 0.3100000 0.1789786 -0.0000000), wk = 0.0031348 k( 33) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0031348 k( 34) = ( 0.3300000 0.1905256 -0.0000000), wk = 0.0031348 k( 35) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0031348 k( 36) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0031348 k( 37) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0031348 k( 38) = ( 0.3700000 0.2136196 -0.0000000), wk = 0.0031348 k( 39) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0031348 k( 40) = ( 0.3900000 0.2251666 -0.0000000), wk = 0.0031348 k( 41) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0031348 k( 42) = ( 0.4100000 0.2367136 -0.0000000), wk = 0.0031348 k( 43) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0031348 k( 44) = ( 0.4300000 0.2482606 -0.0000000), wk = 0.0031348 k( 45) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0031348 k( 46) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0031348 k( 47) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0031348 k( 48) = ( 0.4700000 0.2713546 -0.0000000), wk = 0.0031348 k( 49) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0031348 k( 50) = ( 0.4900000 0.2829016 -0.0000000), wk = 0.0031348 k( 51) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031348 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031348 k( 53) = ( 0.4942529 0.2986294 -0.0000000), wk = 0.0031348 k( 54) = ( 0.4885058 0.3085838 -0.0000000), wk = 0.0031348 k( 55) = ( 0.4827586 0.3185381 -0.0000000), wk = 0.0031348 k( 56) = ( 0.4770115 0.3284924 -0.0000000), wk = 0.0031348 k( 57) = ( 0.4712644 0.3384467 -0.0000000), wk = 0.0031348 k( 58) = ( 0.4655172 0.3484010 -0.0000000), wk = 0.0031348 k( 59) = ( 0.4597701 0.3583553 -0.0000000), wk = 0.0031348 k( 60) = ( 0.4540230 0.3683097 -0.0000000), wk = 0.0031348 k( 61) = ( 0.4482759 0.3782640 -0.0000000), wk = 0.0031348 k( 62) = ( 0.4425287 0.3882183 -0.0000000), wk = 0.0031348 k( 63) = ( 0.4367816 0.3981726 -0.0000000), wk = 0.0031348 k( 64) = ( 0.4310345 0.4081269 -0.0000000), wk = 0.0031348 k( 65) = ( 0.4252874 0.4180812 -0.0000000), wk = 0.0031348 k( 66) = ( 0.4195402 0.4280355 -0.0000000), wk = 0.0031348 k( 67) = ( 0.4137931 0.4379899 -0.0000000), wk = 0.0031348 k( 68) = ( 0.4080460 0.4479442 -0.0000000), wk = 0.0031348 k( 69) = ( 0.4022988 0.4578985 -0.0000000), wk = 0.0031348 k( 70) = ( 0.3965517 0.4678528 -0.0000000), wk = 0.0031348 k( 71) = ( 0.3908046 0.4778071 -0.0000000), wk = 0.0031348 k( 72) = ( 0.3850575 0.4877614 -0.0000000), wk = 0.0031348 k( 73) = ( 0.3793103 0.4977157 -0.0000000), wk = 0.0031348 k( 74) = ( 0.3735632 0.5076701 -0.0000000), wk = 0.0031348 k( 75) = ( 0.3678161 0.5176244 -0.0000000), wk = 0.0031348 k( 76) = ( 0.3620690 0.5275787 -0.0000000), wk = 0.0031348 k( 77) = ( 0.3563218 0.5375330 -0.0000000), wk = 0.0031348 k( 78) = ( 0.3505747 0.5474873 -0.0000000), wk = 0.0031348 k( 79) = ( 0.3448276 0.5574416 -0.0000000), wk = 0.0031348 k( 80) = ( 0.3390805 0.5673960 -0.0000000), wk = 0.0031348 k( 81) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031348 k( 82) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031348 k( 83) = ( 0.3275862 0.5673960 -0.0000000), wk = 0.0031348 k( 84) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0031348 k( 85) = ( 0.3160920 0.5474873 -0.0000000), wk = 0.0031348 k( 86) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0031348 k( 87) = ( 0.3045977 0.5275787 -0.0000000), wk = 0.0031348 k( 88) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0031348 k( 89) = ( 0.2931034 0.5076701 -0.0000000), wk = 0.0031348 k( 90) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0031348 k( 91) = ( 0.2816092 0.4877614 -0.0000000), wk = 0.0031348 k( 92) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0031348 k( 93) = ( 0.2701149 0.4678528 -0.0000000), wk = 0.0031348 k( 94) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0031348 k( 95) = ( 0.2586207 0.4479442 -0.0000000), wk = 0.0031348 k( 96) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0031348 k( 97) = ( 0.2471264 0.4280355 -0.0000000), wk = 0.0031348 k( 98) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0031348 k( 99) = ( 0.2356322 0.4081269 -0.0000000), wk = 0.0031348 k( 100) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0031348 k( 101) = ( 0.2241379 0.3882183 -0.0000000), wk = 0.0031348 k( 102) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0031348 k( 103) = ( 0.2126437 0.3683097 -0.0000000), wk = 0.0031348 k( 104) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0031348 k( 105) = ( 0.2011494 0.3484010 -0.0000000), wk = 0.0031348 k( 106) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0031348 k( 107) = ( 0.1896552 0.3284924 -0.0000000), wk = 0.0031348 k( 108) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0031348 k( 109) = ( 0.1781609 0.3085838 -0.0000000), wk = 0.0031348 k( 110) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0031348 k( 111) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031348 k( 112) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0031348 k( 113) = ( 0.1551724 0.2687665 -0.0000000), wk = 0.0031348 k( 114) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0031348 k( 115) = ( 0.1436782 0.2488579 -0.0000000), wk = 0.0031348 k( 116) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0031348 k( 117) = ( 0.1321839 0.2289492 -0.0000000), wk = 0.0031348 k( 118) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0031348 k( 119) = ( 0.1206897 0.2090406 -0.0000000), wk = 0.0031348 k( 120) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0031348 k( 121) = ( 0.1091954 0.1891320 -0.0000000), wk = 0.0031348 k( 122) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0031348 k( 123) = ( 0.0977012 0.1692234 -0.0000000), wk = 0.0031348 k( 124) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0031348 k( 125) = ( 0.0862069 0.1493147 -0.0000000), wk = 0.0031348 k( 126) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0031348 k( 127) = ( 0.0747126 0.1294061 -0.0000000), wk = 0.0031348 k( 128) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0031348 k( 129) = ( 0.0632184 0.1094975 -0.0000000), wk = 0.0031348 k( 130) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0031348 k( 131) = ( 0.0517241 0.0895888 -0.0000000), wk = 0.0031348 k( 132) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0031348 k( 133) = ( 0.0402299 0.0696802 -0.0000000), wk = 0.0031348 k( 134) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0031348 k( 135) = ( 0.0287356 0.0497716 -0.0000000), wk = 0.0031348 k( 136) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0031348 k( 137) = ( 0.0172414 0.0298629 -0.0000000), wk = 0.0031348 k( 138) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0031348 k( 139) = ( 0.0057471 0.0099543 -0.0000000), wk = 0.0031348 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 142) = ( 0.0000000 0.0000000 0.0115206), wk = 0.0031348 k( 143) = ( 0.0000000 0.0000000 0.0230412), wk = 0.0031348 k( 144) = ( 0.0000000 0.0000000 0.0345618), wk = 0.0031348 k( 145) = ( 0.0000000 0.0000000 0.0460824), wk = 0.0031348 k( 146) = ( 0.0000000 0.0000000 0.0576030), wk = 0.0031348 k( 147) = ( 0.0000000 0.0000000 0.0691236), wk = 0.0031348 k( 148) = ( 0.0000000 0.0000000 0.0806442), wk = 0.0031348 k( 149) = ( 0.0000000 0.0000000 0.0921648), wk = 0.0031348 k( 150) = ( 0.0000000 0.0000000 0.1036854), wk = 0.0031348 k( 151) = ( 0.0000000 0.0000000 0.1152060), wk = 0.0031348 k( 152) = ( 0.0000000 0.0000000 0.1267266), wk = 0.0031348 k( 153) = ( 0.0000000 0.0000000 0.1382472), wk = 0.0031348 k( 154) = ( 0.0000000 0.0000000 0.1382472), wk = 0.0031348 k( 155) = ( 0.0100000 0.0057735 0.1382472), wk = 0.0031348 k( 156) = ( 0.0200000 0.0115470 0.1382472), wk = 0.0031348 k( 157) = ( 0.0300000 0.0173205 0.1382472), wk = 0.0031348 k( 158) = ( 0.0400000 0.0230940 0.1382472), wk = 0.0031348 k( 159) = ( 0.0500000 0.0288675 0.1382472), wk = 0.0031348 k( 160) = ( 0.0600000 0.0346410 0.1382472), wk = 0.0031348 k( 161) = ( 0.0700000 0.0404145 0.1382472), wk = 0.0031348 k( 162) = ( 0.0800000 0.0461880 0.1382472), wk = 0.0031348 k( 163) = ( 0.0900000 0.0519615 0.1382472), wk = 0.0031348 k( 164) = ( 0.1000000 0.0577350 0.1382472), wk = 0.0031348 k( 165) = ( 0.1100000 0.0635085 0.1382472), wk = 0.0031348 k( 166) = ( 0.1200000 0.0692820 0.1382472), wk = 0.0031348 k( 167) = ( 0.1300000 0.0750555 0.1382472), wk = 0.0031348 k( 168) = ( 0.1400000 0.0808290 0.1382472), wk = 0.0031348 k( 169) = ( 0.1500000 0.0866025 0.1382472), wk = 0.0031348 k( 170) = ( 0.1600000 0.0923760 0.1382472), wk = 0.0031348 k( 171) = ( 0.1700000 0.0981495 0.1382472), wk = 0.0031348 k( 172) = ( 0.1800000 0.1039230 0.1382472), wk = 0.0031348 k( 173) = ( 0.1900000 0.1096966 0.1382472), wk = 0.0031348 k( 174) = ( 0.2000000 0.1154701 0.1382472), wk = 0.0031348 k( 175) = ( 0.2100000 0.1212436 0.1382472), wk = 0.0031348 k( 176) = ( 0.2200000 0.1270171 0.1382472), wk = 0.0031348 k( 177) = ( 0.2300000 0.1327906 0.1382472), wk = 0.0031348 k( 178) = ( 0.2400000 0.1385641 0.1382472), wk = 0.0031348 k( 179) = ( 0.2500000 0.1443376 0.1382472), wk = 0.0031348 k( 180) = ( 0.2600000 0.1501111 0.1382472), wk = 0.0031348 k( 181) = ( 0.2700000 0.1558846 0.1382472), wk = 0.0031348 k( 182) = ( 0.2800000 0.1616581 0.1382472), wk = 0.0031348 k( 183) = ( 0.2900000 0.1674316 0.1382472), wk = 0.0031348 k( 184) = ( 0.3000000 0.1732051 0.1382472), wk = 0.0031348 k( 185) = ( 0.3100000 0.1789786 0.1382472), wk = 0.0031348 k( 186) = ( 0.3200000 0.1847521 0.1382472), wk = 0.0031348 k( 187) = ( 0.3300000 0.1905256 0.1382472), wk = 0.0031348 k( 188) = ( 0.3400000 0.1962991 0.1382472), wk = 0.0031348 k( 189) = ( 0.3500000 0.2020726 0.1382472), wk = 0.0031348 k( 190) = ( 0.3600000 0.2078461 0.1382472), wk = 0.0031348 k( 191) = ( 0.3700000 0.2136196 0.1382472), wk = 0.0031348 k( 192) = ( 0.3800000 0.2193931 0.1382472), wk = 0.0031348 k( 193) = ( 0.3900000 0.2251666 0.1382472), wk = 0.0031348 k( 194) = ( 0.4000000 0.2309401 0.1382472), wk = 0.0031348 k( 195) = ( 0.4100000 0.2367136 0.1382472), wk = 0.0031348 k( 196) = ( 0.4200000 0.2424871 0.1382472), wk = 0.0031348 k( 197) = ( 0.4300000 0.2482606 0.1382472), wk = 0.0031348 k( 198) = ( 0.4400000 0.2540341 0.1382472), wk = 0.0031348 k( 199) = ( 0.4500000 0.2598076 0.1382472), wk = 0.0031348 k( 200) = ( 0.4600000 0.2655811 0.1382472), wk = 0.0031348 k( 201) = ( 0.4700000 0.2713546 0.1382472), wk = 0.0031348 k( 202) = ( 0.4800000 0.2771281 0.1382472), wk = 0.0031348 k( 203) = ( 0.4900000 0.2829016 0.1382472), wk = 0.0031348 k( 204) = ( 0.5000000 0.2886751 0.1382472), wk = 0.0031348 k( 205) = ( 0.5000000 0.2886751 0.1382472), wk = 0.0031348 k( 206) = ( 0.4942529 0.2986294 0.1382472), wk = 0.0031348 k( 207) = ( 0.4885058 0.3085838 0.1382472), wk = 0.0031348 k( 208) = ( 0.4827586 0.3185381 0.1382472), wk = 0.0031348 k( 209) = ( 0.4770115 0.3284924 0.1382472), wk = 0.0031348 k( 210) = ( 0.4712644 0.3384467 0.1382472), wk = 0.0031348 k( 211) = ( 0.4655172 0.3484010 0.1382472), wk = 0.0031348 k( 212) = ( 0.4597701 0.3583553 0.1382472), wk = 0.0031348 k( 213) = ( 0.4540230 0.3683097 0.1382472), wk = 0.0031348 k( 214) = ( 0.4482759 0.3782640 0.1382472), wk = 0.0031348 k( 215) = ( 0.4425287 0.3882183 0.1382472), wk = 0.0031348 k( 216) = ( 0.4367816 0.3981726 0.1382472), wk = 0.0031348 k( 217) = ( 0.4310345 0.4081269 0.1382472), wk = 0.0031348 k( 218) = ( 0.4252874 0.4180812 0.1382472), wk = 0.0031348 k( 219) = ( 0.4195402 0.4280355 0.1382472), wk = 0.0031348 k( 220) = ( 0.4137931 0.4379899 0.1382472), wk = 0.0031348 k( 221) = ( 0.4080460 0.4479442 0.1382472), wk = 0.0031348 k( 222) = ( 0.4022988 0.4578985 0.1382472), wk = 0.0031348 k( 223) = ( 0.3965517 0.4678528 0.1382472), wk = 0.0031348 k( 224) = ( 0.3908046 0.4778071 0.1382472), wk = 0.0031348 k( 225) = ( 0.3850575 0.4877614 0.1382472), wk = 0.0031348 k( 226) = ( 0.3793103 0.4977157 0.1382472), wk = 0.0031348 k( 227) = ( 0.3735632 0.5076701 0.1382472), wk = 0.0031348 k( 228) = ( 0.3678161 0.5176244 0.1382472), wk = 0.0031348 k( 229) = ( 0.3620690 0.5275787 0.1382472), wk = 0.0031348 k( 230) = ( 0.3563218 0.5375330 0.1382472), wk = 0.0031348 k( 231) = ( 0.3505747 0.5474873 0.1382472), wk = 0.0031348 k( 232) = ( 0.3448276 0.5574416 0.1382472), wk = 0.0031348 k( 233) = ( 0.3390805 0.5673960 0.1382472), wk = 0.0031348 k( 234) = ( 0.3333333 0.5773503 0.1382472), wk = 0.0031348 k( 235) = ( 0.3333333 0.5773503 0.1382472), wk = 0.0031348 k( 236) = ( 0.3275862 0.5673960 0.1382472), wk = 0.0031348 k( 237) = ( 0.3218391 0.5574416 0.1382472), wk = 0.0031348 k( 238) = ( 0.3160920 0.5474873 0.1382472), wk = 0.0031348 k( 239) = ( 0.3103448 0.5375330 0.1382472), wk = 0.0031348 k( 240) = ( 0.3045977 0.5275787 0.1382472), wk = 0.0031348 k( 241) = ( 0.2988506 0.5176244 0.1382472), wk = 0.0031348 k( 242) = ( 0.2931034 0.5076701 0.1382472), wk = 0.0031348 k( 243) = ( 0.2873563 0.4977157 0.1382472), wk = 0.0031348 k( 244) = ( 0.2816092 0.4877614 0.1382472), wk = 0.0031348 k( 245) = ( 0.2758621 0.4778071 0.1382472), wk = 0.0031348 k( 246) = ( 0.2701149 0.4678528 0.1382472), wk = 0.0031348 k( 247) = ( 0.2643678 0.4578985 0.1382472), wk = 0.0031348 k( 248) = ( 0.2586207 0.4479442 0.1382472), wk = 0.0031348 k( 249) = ( 0.2528736 0.4379899 0.1382472), wk = 0.0031348 k( 250) = ( 0.2471264 0.4280355 0.1382472), wk = 0.0031348 k( 251) = ( 0.2413793 0.4180812 0.1382472), wk = 0.0031348 k( 252) = ( 0.2356322 0.4081269 0.1382472), wk = 0.0031348 k( 253) = ( 0.2298851 0.3981726 0.1382472), wk = 0.0031348 k( 254) = ( 0.2241379 0.3882183 0.1382472), wk = 0.0031348 k( 255) = ( 0.2183908 0.3782640 0.1382472), wk = 0.0031348 k( 256) = ( 0.2126437 0.3683097 0.1382472), wk = 0.0031348 k( 257) = ( 0.2068966 0.3583553 0.1382472), wk = 0.0031348 k( 258) = ( 0.2011494 0.3484010 0.1382472), wk = 0.0031348 k( 259) = ( 0.1954023 0.3384467 0.1382472), wk = 0.0031348 k( 260) = ( 0.1896552 0.3284924 0.1382472), wk = 0.0031348 k( 261) = ( 0.1839080 0.3185381 0.1382472), wk = 0.0031348 k( 262) = ( 0.1781609 0.3085838 0.1382472), wk = 0.0031348 k( 263) = ( 0.1724138 0.2986294 0.1382472), wk = 0.0031348 k( 264) = ( 0.1666667 0.2886751 0.1382472), wk = 0.0031348 k( 265) = ( 0.1609195 0.2787208 0.1382472), wk = 0.0031348 k( 266) = ( 0.1551724 0.2687665 0.1382472), wk = 0.0031348 k( 267) = ( 0.1494253 0.2588122 0.1382472), wk = 0.0031348 k( 268) = ( 0.1436782 0.2488579 0.1382472), wk = 0.0031348 k( 269) = ( 0.1379310 0.2389036 0.1382472), wk = 0.0031348 k( 270) = ( 0.1321839 0.2289492 0.1382472), wk = 0.0031348 k( 271) = ( 0.1264368 0.2189949 0.1382472), wk = 0.0031348 k( 272) = ( 0.1206897 0.2090406 0.1382472), wk = 0.0031348 k( 273) = ( 0.1149425 0.1990863 0.1382472), wk = 0.0031348 k( 274) = ( 0.1091954 0.1891320 0.1382472), wk = 0.0031348 k( 275) = ( 0.1034483 0.1791777 0.1382472), wk = 0.0031348 k( 276) = ( 0.0977012 0.1692234 0.1382472), wk = 0.0031348 k( 277) = ( 0.0919540 0.1592690 0.1382472), wk = 0.0031348 k( 278) = ( 0.0862069 0.1493147 0.1382472), wk = 0.0031348 k( 279) = ( 0.0804598 0.1393604 0.1382472), wk = 0.0031348 k( 280) = ( 0.0747126 0.1294061 0.1382472), wk = 0.0031348 k( 281) = ( 0.0689655 0.1194518 0.1382472), wk = 0.0031348 k( 282) = ( 0.0632184 0.1094975 0.1382472), wk = 0.0031348 k( 283) = ( 0.0574713 0.0995431 0.1382472), wk = 0.0031348 k( 284) = ( 0.0517241 0.0895888 0.1382472), wk = 0.0031348 k( 285) = ( 0.0459770 0.0796345 0.1382472), wk = 0.0031348 k( 286) = ( 0.0402299 0.0696802 0.1382472), wk = 0.0031348 k( 287) = ( 0.0344828 0.0597259 0.1382472), wk = 0.0031348 k( 288) = ( 0.0287356 0.0497716 0.1382472), wk = 0.0031348 k( 289) = ( 0.0229885 0.0398173 0.1382472), wk = 0.0031348 k( 290) = ( 0.0172414 0.0298629 0.1382472), wk = 0.0031348 k( 291) = ( 0.0114942 0.0199086 0.1382472), wk = 0.0031348 k( 292) = ( 0.0057471 0.0099543 0.1382472), wk = 0.0031348 k( 293) = ( 0.0000000 0.0000000 0.1382472), wk = 0.0031348 k( 294) = ( 0.5000000 0.2886751 0.1382472), wk = 0.0031348 k( 295) = ( 0.5000000 0.2886751 0.1267266), wk = 0.0031348 k( 296) = ( 0.5000000 0.2886751 0.1152060), wk = 0.0031348 k( 297) = ( 0.5000000 0.2886751 0.1036854), wk = 0.0031348 k( 298) = ( 0.5000000 0.2886751 0.0921648), wk = 0.0031348 k( 299) = ( 0.5000000 0.2886751 0.0806442), wk = 0.0031348 k( 300) = ( 0.5000000 0.2886751 0.0691236), wk = 0.0031348 k( 301) = ( 0.5000000 0.2886751 0.0576030), wk = 0.0031348 k( 302) = ( 0.5000000 0.2886751 0.0460824), wk = 0.0031348 k( 303) = ( 0.5000000 0.2886751 0.0345618), wk = 0.0031348 k( 304) = ( 0.5000000 0.2886751 0.0230412), wk = 0.0031348 k( 305) = ( 0.5000000 0.2886751 0.0115206), wk = 0.0031348 k( 306) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031348 k( 307) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031348 k( 308) = ( 0.3333333 0.5773503 0.0115206), wk = 0.0031348 k( 309) = ( 0.3333333 0.5773503 0.0230412), wk = 0.0031348 k( 310) = ( 0.3333333 0.5773503 0.0345618), wk = 0.0031348 k( 311) = ( 0.3333333 0.5773503 0.0460824), wk = 0.0031348 k( 312) = ( 0.3333333 0.5773503 0.0576030), wk = 0.0031348 k( 313) = ( 0.3333333 0.5773503 0.0691236), wk = 0.0031348 k( 314) = ( 0.3333333 0.5773503 0.0806442), wk = 0.0031348 k( 315) = ( 0.3333333 0.5773503 0.0921648), wk = 0.0031348 k( 316) = ( 0.3333333 0.5773503 0.1036854), wk = 0.0031348 k( 317) = ( 0.3333333 0.5773503 0.1152060), wk = 0.0031348 k( 318) = ( 0.3333333 0.5773503 0.1267266), wk = 0.0031348 k( 319) = ( 0.3333333 0.5773503 0.1382472), wk = 0.0031348 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 2) = ( 0.0100000 0.0000000 0.0000000), wk = 0.0031348 k( 3) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0031348 k( 4) = ( 0.0300000 0.0000000 -0.0000000), wk = 0.0031348 k( 5) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0031348 k( 6) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0031348 k( 7) = ( 0.0600000 0.0000000 -0.0000000), wk = 0.0031348 k( 8) = ( 0.0700000 0.0000000 -0.0000000), wk = 0.0031348 k( 9) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0031348 k( 10) = ( 0.0900000 0.0000000 -0.0000000), wk = 0.0031348 k( 11) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0031348 k( 12) = ( 0.1100000 0.0000000 -0.0000000), wk = 0.0031348 k( 13) = ( 0.1200000 0.0000000 -0.0000000), wk = 0.0031348 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0031348 k( 15) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0031348 k( 16) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0031348 k( 17) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0031348 k( 18) = ( 0.1700000 0.0000000 0.0000000), wk = 0.0031348 k( 19) = ( 0.1800000 0.0000000 -0.0000000), wk = 0.0031348 k( 20) = ( 0.1900000 0.0000000 -0.0000000), wk = 0.0031348 k( 21) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0031348 k( 22) = ( 0.2100000 0.0000000 -0.0000000), wk = 0.0031348 k( 23) = ( 0.2200000 0.0000000 -0.0000000), wk = 0.0031348 k( 24) = ( 0.2300000 0.0000000 0.0000000), wk = 0.0031348 k( 25) = ( 0.2400000 0.0000000 -0.0000000), wk = 0.0031348 k( 26) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0031348 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0031348 k( 28) = ( 0.2700000 0.0000000 -0.0000000), wk = 0.0031348 k( 29) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0031348 k( 30) = ( 0.2900000 0.0000000 -0.0000000), wk = 0.0031348 k( 31) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0031348 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0031348 k( 33) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0031348 k( 34) = ( 0.3300000 -0.0000000 0.0000000), wk = 0.0031348 k( 35) = ( 0.3400000 0.0000000 0.0000000), wk = 0.0031348 k( 36) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0031348 k( 37) = ( 0.3600000 0.0000000 -0.0000000), wk = 0.0031348 k( 38) = ( 0.3700000 0.0000000 0.0000000), wk = 0.0031348 k( 39) = ( 0.3800000 0.0000000 -0.0000000), wk = 0.0031348 k( 40) = ( 0.3900000 0.0000000 -0.0000000), wk = 0.0031348 k( 41) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0031348 k( 42) = ( 0.4100000 0.0000000 0.0000000), wk = 0.0031348 k( 43) = ( 0.4200000 0.0000000 -0.0000000), wk = 0.0031348 k( 44) = ( 0.4300000 0.0000000 -0.0000000), wk = 0.0031348 k( 45) = ( 0.4400000 0.0000000 -0.0000000), wk = 0.0031348 k( 46) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0031348 k( 47) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0031348 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0031348 k( 49) = ( 0.4800000 0.0000000 -0.0000000), wk = 0.0031348 k( 50) = ( 0.4900000 0.0000000 -0.0000000), wk = 0.0031348 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031348 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031348 k( 53) = ( 0.4942529 0.0114943 -0.0000000), wk = 0.0031348 k( 54) = ( 0.4885058 0.0229885 -0.0000000), wk = 0.0031348 k( 55) = ( 0.4827586 0.0344828 -0.0000000), wk = 0.0031348 k( 56) = ( 0.4770115 0.0459770 0.0000000), wk = 0.0031348 k( 57) = ( 0.4712644 0.0574713 -0.0000000), wk = 0.0031348 k( 58) = ( 0.4655172 0.0689655 0.0000000), wk = 0.0031348 k( 59) = ( 0.4597701 0.0804598 -0.0000000), wk = 0.0031348 k( 60) = ( 0.4540230 0.0919540 0.0000000), wk = 0.0031348 k( 61) = ( 0.4482759 0.1034483 0.0000000), wk = 0.0031348 k( 62) = ( 0.4425287 0.1149425 0.0000000), wk = 0.0031348 k( 63) = ( 0.4367816 0.1264368 0.0000000), wk = 0.0031348 k( 64) = ( 0.4310345 0.1379310 0.0000000), wk = 0.0031348 k( 65) = ( 0.4252874 0.1494253 -0.0000000), wk = 0.0031348 k( 66) = ( 0.4195402 0.1609195 0.0000000), wk = 0.0031348 k( 67) = ( 0.4137931 0.1724138 -0.0000000), wk = 0.0031348 k( 68) = ( 0.4080460 0.1839080 -0.0000000), wk = 0.0031348 k( 69) = ( 0.4022988 0.1954023 -0.0000000), wk = 0.0031348 k( 70) = ( 0.3965517 0.2068965 -0.0000000), wk = 0.0031348 k( 71) = ( 0.3908046 0.2183908 0.0000000), wk = 0.0031348 k( 72) = ( 0.3850575 0.2298851 -0.0000000), wk = 0.0031348 k( 73) = ( 0.3793103 0.2413793 0.0000000), wk = 0.0031348 k( 74) = ( 0.3735632 0.2528736 0.0000000), wk = 0.0031348 k( 75) = ( 0.3678161 0.2643678 0.0000000), wk = 0.0031348 k( 76) = ( 0.3620690 0.2758621 -0.0000000), wk = 0.0031348 k( 77) = ( 0.3563218 0.2873563 -0.0000000), wk = 0.0031348 k( 78) = ( 0.3505747 0.2988506 -0.0000000), wk = 0.0031348 k( 79) = ( 0.3448276 0.3103448 0.0000000), wk = 0.0031348 k( 80) = ( 0.3390805 0.3218391 -0.0000000), wk = 0.0031348 k( 81) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031348 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031348 k( 83) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031348 k( 84) = ( 0.3218391 0.3218391 -0.0000000), wk = 0.0031348 k( 85) = ( 0.3160920 0.3160920 -0.0000000), wk = 0.0031348 k( 86) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031348 k( 87) = ( 0.3045977 0.3045977 0.0000000), wk = 0.0031348 k( 88) = ( 0.2988506 0.2988506 -0.0000000), wk = 0.0031348 k( 89) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031348 k( 90) = ( 0.2873563 0.2873563 -0.0000000), wk = 0.0031348 k( 91) = ( 0.2816092 0.2816092 -0.0000000), wk = 0.0031348 k( 92) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031348 k( 93) = ( 0.2701149 0.2701149 -0.0000000), wk = 0.0031348 k( 94) = ( 0.2643678 0.2643678 -0.0000000), wk = 0.0031348 k( 95) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031348 k( 96) = ( 0.2528736 0.2528736 -0.0000000), wk = 0.0031348 k( 97) = ( 0.2471264 0.2471264 0.0000000), wk = 0.0031348 k( 98) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031348 k( 99) = ( 0.2356322 0.2356322 -0.0000000), wk = 0.0031348 k( 100) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0031348 k( 101) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031348 k( 102) = ( 0.2183908 0.2183908 -0.0000000), wk = 0.0031348 k( 103) = ( 0.2126437 0.2126437 0.0000000), wk = 0.0031348 k( 104) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031348 k( 105) = ( 0.2011494 0.2011494 -0.0000000), wk = 0.0031348 k( 106) = ( 0.1954023 0.1954023 -0.0000000), wk = 0.0031348 k( 107) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031348 k( 108) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0031348 k( 109) = ( 0.1781609 0.1781609 0.0000000), wk = 0.0031348 k( 110) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031348 k( 111) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031348 k( 112) = ( 0.1609195 0.1609195 -0.0000000), wk = 0.0031348 k( 113) = ( 0.1551724 0.1551724 0.0000000), wk = 0.0031348 k( 114) = ( 0.1494253 0.1494253 -0.0000000), wk = 0.0031348 k( 115) = ( 0.1436782 0.1436782 -0.0000000), wk = 0.0031348 k( 116) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031348 k( 117) = ( 0.1321839 0.1321839 -0.0000000), wk = 0.0031348 k( 118) = ( 0.1264368 0.1264368 -0.0000000), wk = 0.0031348 k( 119) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031348 k( 120) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0031348 k( 121) = ( 0.1091954 0.1091954 -0.0000000), wk = 0.0031348 k( 122) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031348 k( 123) = ( 0.0977012 0.0977011 -0.0000000), wk = 0.0031348 k( 124) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0031348 k( 125) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031348 k( 126) = ( 0.0804598 0.0804598 -0.0000000), wk = 0.0031348 k( 127) = ( 0.0747126 0.0747126 -0.0000000), wk = 0.0031348 k( 128) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031348 k( 129) = ( 0.0632184 0.0632184 -0.0000000), wk = 0.0031348 k( 130) = ( 0.0574713 0.0574713 -0.0000000), wk = 0.0031348 k( 131) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031348 k( 132) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0031348 k( 133) = ( 0.0402299 0.0402299 0.0000000), wk = 0.0031348 k( 134) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031348 k( 135) = ( 0.0287356 0.0287356 -0.0000000), wk = 0.0031348 k( 136) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0031348 k( 137) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031348 k( 138) = ( 0.0114942 0.0114943 -0.0000000), wk = 0.0031348 k( 139) = ( 0.0057471 0.0057471 -0.0000000), wk = 0.0031348 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031348 k( 142) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0031348 k( 143) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031348 k( 144) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031348 k( 145) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031348 k( 146) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0031348 k( 147) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031348 k( 148) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0031348 k( 149) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031348 k( 150) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031348 k( 151) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031348 k( 152) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0031348 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031348 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031348 k( 155) = ( 0.0100000 0.0000000 0.5000000), wk = 0.0031348 k( 156) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0031348 k( 157) = ( 0.0300000 0.0000000 0.5000000), wk = 0.0031348 k( 158) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0031348 k( 159) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0031348 k( 160) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0031348 k( 161) = ( 0.0700000 0.0000000 0.5000000), wk = 0.0031348 k( 162) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0031348 k( 163) = ( 0.0900000 0.0000000 0.5000000), wk = 0.0031348 k( 164) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0031348 k( 165) = ( 0.1100000 0.0000000 0.5000000), wk = 0.0031348 k( 166) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0031348 k( 167) = ( 0.1300000 -0.0000000 0.5000000), wk = 0.0031348 k( 168) = ( 0.1400000 0.0000000 0.5000000), wk = 0.0031348 k( 169) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0031348 k( 170) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0031348 k( 171) = ( 0.1700000 0.0000000 0.5000000), wk = 0.0031348 k( 172) = ( 0.1800000 0.0000000 0.5000000), wk = 0.0031348 k( 173) = ( 0.1900000 0.0000000 0.5000000), wk = 0.0031348 k( 174) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0031348 k( 175) = ( 0.2100000 0.0000000 0.5000000), wk = 0.0031348 k( 176) = ( 0.2200000 0.0000000 0.5000000), wk = 0.0031348 k( 177) = ( 0.2300000 0.0000000 0.5000000), wk = 0.0031348 k( 178) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0031348 k( 179) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0031348 k( 180) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0031348 k( 181) = ( 0.2700000 0.0000000 0.5000000), wk = 0.0031348 k( 182) = ( 0.2800000 0.0000000 0.5000000), wk = 0.0031348 k( 183) = ( 0.2900000 0.0000000 0.5000000), wk = 0.0031348 k( 184) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0031348 k( 185) = ( 0.3100000 -0.0000000 0.5000000), wk = 0.0031348 k( 186) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0031348 k( 187) = ( 0.3300000 -0.0000000 0.5000000), wk = 0.0031348 k( 188) = ( 0.3400000 0.0000000 0.5000000), wk = 0.0031348 k( 189) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0031348 k( 190) = ( 0.3600000 0.0000000 0.5000000), wk = 0.0031348 k( 191) = ( 0.3700000 0.0000000 0.5000000), wk = 0.0031348 k( 192) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0031348 k( 193) = ( 0.3900000 0.0000000 0.5000000), wk = 0.0031348 k( 194) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0031348 k( 195) = ( 0.4100000 0.0000000 0.5000000), wk = 0.0031348 k( 196) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0031348 k( 197) = ( 0.4300000 0.0000000 0.5000000), wk = 0.0031348 k( 198) = ( 0.4400000 0.0000000 0.5000000), wk = 0.0031348 k( 199) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0031348 k( 200) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0031348 k( 201) = ( 0.4700000 -0.0000000 0.5000000), wk = 0.0031348 k( 202) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0031348 k( 203) = ( 0.4900000 0.0000000 0.5000000), wk = 0.0031348 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031348 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031348 k( 206) = ( 0.4942529 0.0114943 0.5000000), wk = 0.0031348 k( 207) = ( 0.4885058 0.0229885 0.5000000), wk = 0.0031348 k( 208) = ( 0.4827586 0.0344828 0.5000000), wk = 0.0031348 k( 209) = ( 0.4770115 0.0459770 0.5000000), wk = 0.0031348 k( 210) = ( 0.4712644 0.0574713 0.5000000), wk = 0.0031348 k( 211) = ( 0.4655172 0.0689655 0.5000000), wk = 0.0031348 k( 212) = ( 0.4597701 0.0804598 0.5000000), wk = 0.0031348 k( 213) = ( 0.4540230 0.0919540 0.5000000), wk = 0.0031348 k( 214) = ( 0.4482759 0.1034483 0.5000000), wk = 0.0031348 k( 215) = ( 0.4425287 0.1149425 0.5000000), wk = 0.0031348 k( 216) = ( 0.4367816 0.1264368 0.5000000), wk = 0.0031348 k( 217) = ( 0.4310345 0.1379310 0.5000000), wk = 0.0031348 k( 218) = ( 0.4252874 0.1494253 0.5000000), wk = 0.0031348 k( 219) = ( 0.4195402 0.1609195 0.5000000), wk = 0.0031348 k( 220) = ( 0.4137931 0.1724138 0.5000000), wk = 0.0031348 k( 221) = ( 0.4080460 0.1839080 0.5000000), wk = 0.0031348 k( 222) = ( 0.4022988 0.1954023 0.5000000), wk = 0.0031348 k( 223) = ( 0.3965517 0.2068965 0.5000000), wk = 0.0031348 k( 224) = ( 0.3908046 0.2183908 0.5000000), wk = 0.0031348 k( 225) = ( 0.3850575 0.2298851 0.5000000), wk = 0.0031348 k( 226) = ( 0.3793103 0.2413793 0.5000000), wk = 0.0031348 k( 227) = ( 0.3735632 0.2528736 0.5000000), wk = 0.0031348 k( 228) = ( 0.3678161 0.2643678 0.5000000), wk = 0.0031348 k( 229) = ( 0.3620690 0.2758621 0.5000000), wk = 0.0031348 k( 230) = ( 0.3563218 0.2873563 0.5000000), wk = 0.0031348 k( 231) = ( 0.3505747 0.2988506 0.5000000), wk = 0.0031348 k( 232) = ( 0.3448276 0.3103448 0.5000000), wk = 0.0031348 k( 233) = ( 0.3390805 0.3218391 0.5000000), wk = 0.0031348 k( 234) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031348 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031348 k( 236) = ( 0.3275862 0.3275862 0.5000000), wk = 0.0031348 k( 237) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0031348 k( 238) = ( 0.3160920 0.3160920 0.5000000), wk = 0.0031348 k( 239) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0031348 k( 240) = ( 0.3045977 0.3045977 0.5000000), wk = 0.0031348 k( 241) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0031348 k( 242) = ( 0.2931034 0.2931034 0.5000000), wk = 0.0031348 k( 243) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0031348 k( 244) = ( 0.2816092 0.2816092 0.5000000), wk = 0.0031348 k( 245) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0031348 k( 246) = ( 0.2701149 0.2701149 0.5000000), wk = 0.0031348 k( 247) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0031348 k( 248) = ( 0.2586207 0.2586207 0.5000000), wk = 0.0031348 k( 249) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0031348 k( 250) = ( 0.2471264 0.2471264 0.5000000), wk = 0.0031348 k( 251) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0031348 k( 252) = ( 0.2356322 0.2356322 0.5000000), wk = 0.0031348 k( 253) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0031348 k( 254) = ( 0.2241379 0.2241379 0.5000000), wk = 0.0031348 k( 255) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0031348 k( 256) = ( 0.2126437 0.2126437 0.5000000), wk = 0.0031348 k( 257) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0031348 k( 258) = ( 0.2011494 0.2011494 0.5000000), wk = 0.0031348 k( 259) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0031348 k( 260) = ( 0.1896552 0.1896552 0.5000000), wk = 0.0031348 k( 261) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0031348 k( 262) = ( 0.1781609 0.1781609 0.5000000), wk = 0.0031348 k( 263) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0031348 k( 264) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031348 k( 265) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0031348 k( 266) = ( 0.1551724 0.1551724 0.5000000), wk = 0.0031348 k( 267) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0031348 k( 268) = ( 0.1436782 0.1436782 0.5000000), wk = 0.0031348 k( 269) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0031348 k( 270) = ( 0.1321839 0.1321839 0.5000000), wk = 0.0031348 k( 271) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0031348 k( 272) = ( 0.1206897 0.1206897 0.5000000), wk = 0.0031348 k( 273) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0031348 k( 274) = ( 0.1091954 0.1091954 0.5000000), wk = 0.0031348 k( 275) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0031348 k( 276) = ( 0.0977012 0.0977011 0.5000000), wk = 0.0031348 k( 277) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0031348 k( 278) = ( 0.0862069 0.0862069 0.5000000), wk = 0.0031348 k( 279) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0031348 k( 280) = ( 0.0747126 0.0747126 0.5000000), wk = 0.0031348 k( 281) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0031348 k( 282) = ( 0.0632184 0.0632184 0.5000000), wk = 0.0031348 k( 283) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0031348 k( 284) = ( 0.0517241 0.0517241 0.5000000), wk = 0.0031348 k( 285) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0031348 k( 286) = ( 0.0402299 0.0402299 0.5000000), wk = 0.0031348 k( 287) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0031348 k( 288) = ( 0.0287356 0.0287356 0.5000000), wk = 0.0031348 k( 289) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0031348 k( 290) = ( 0.0172414 0.0172414 0.5000000), wk = 0.0031348 k( 291) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0031348 k( 292) = ( 0.0057471 0.0057471 0.5000000), wk = 0.0031348 k( 293) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031348 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031348 k( 295) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0031348 k( 296) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0031348 k( 297) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0031348 k( 298) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0031348 k( 299) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0031348 k( 300) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0031348 k( 301) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0031348 k( 302) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0031348 k( 303) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0031348 k( 304) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0031348 k( 305) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0031348 k( 306) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031348 k( 307) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031348 k( 308) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0031348 k( 309) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0031348 k( 310) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0031348 k( 311) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0031348 k( 312) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0031348 k( 313) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031348 k( 314) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0031348 k( 315) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031348 k( 316) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0031348 k( 317) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0031348 k( 318) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0031348 k( 319) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031348 Dense grid: 98943 G-vectors FFT dimensions: ( 40, 40, 144) Smooth grid: 48651 G-vectors FFT dimensions: ( 32, 32, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 366, 58) NL pseudopotentials 0.41 Mb ( 183, 148) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2749) G-vector shells 0.01 Mb ( 1389) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 366, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.26 Mb ( 148, 2, 58) The potential is recalculated from file : ./Zr2SeN2.save/charge-density.dat Starting wfc are 120 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 3.8 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 5.8 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 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 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 10.7 secs Computing kpt #: 11 total cpu time spent up to now is 11.8 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 14.1 secs Computing kpt #: 14 total cpu time spent up to now is 15.4 secs Computing kpt #: 15 total cpu time spent up to now is 16.6 secs Computing kpt #: 16 total cpu time spent up to now is 17.9 secs Computing kpt #: 17 total cpu time spent up to now is 19.4 secs Computing kpt #: 18 total cpu time spent up to now is 21.2 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 23.0 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.9 secs Computing kpt #: 21 total cpu time spent up to now is 26.3 secs Computing kpt #: 22 total cpu time spent up to now is 27.5 secs Computing kpt #: 23 total cpu time spent up to now is 28.4 secs Computing kpt #: 24 total cpu time spent up to now is 29.2 secs Computing kpt #: 25 total cpu time spent up to now is 30.0 secs Computing kpt #: 26 total cpu time spent up to now is 30.7 secs Computing kpt #: 27 total cpu time spent up to now is 31.4 secs Computing kpt #: 28 total cpu time spent up to now is 32.1 secs Computing kpt #: 29 total cpu time spent up to now is 32.8 secs Computing kpt #: 30 total cpu time spent up to now is 33.5 secs Computing kpt #: 31 total cpu time spent up to now is 34.2 secs Computing kpt #: 32 total cpu time spent up to now is 34.9 secs Computing kpt #: 33 total cpu time spent up to now is 35.7 secs Computing kpt #: 34 total cpu time spent up to now is 36.4 secs Computing kpt #: 35 total cpu time spent up to now is 37.2 secs Computing kpt #: 36 total cpu time spent up to now is 37.9 secs Computing kpt #: 37 total cpu time spent up to now is 38.8 secs Computing kpt #: 38 total cpu time spent up to now is 39.6 secs Computing kpt #: 39 total cpu time spent up to now is 41.0 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 42.9 secs Computing kpt #: 41 total cpu time spent up to now is 44.2 secs Computing kpt #: 42 total cpu time spent up to now is 45.4 secs Computing kpt #: 43 total cpu time spent up to now is 46.7 secs Computing kpt #: 44 total cpu time spent up to now is 47.9 secs Computing kpt #: 45 total cpu time spent up to now is 49.2 secs Computing kpt #: 46 total cpu time spent up to now is 50.6 secs Computing kpt #: 47 total cpu time spent up to now is 52.0 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.9 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.0 secs Computing kpt #: 50 total cpu time spent up to now is 57.4 secs Computing kpt #: 51 total cpu time spent up to now is 58.8 secs Computing kpt #: 52 total cpu time spent up to now is 60.2 secs Computing kpt #: 53 total cpu time spent up to now is 61.9 secs Computing kpt #: 54 total cpu time spent up to now is 63.5 secs Computing kpt #: 55 total cpu time spent up to now is 65.3 secs Computing kpt #: 56 total cpu time spent up to now is 66.9 secs Computing kpt #: 57 total cpu time spent up to now is 68.7 secs Computing kpt #: 58 total cpu time spent up to now is 70.2 secs Computing kpt #: 59 total cpu time spent up to now is 71.6 secs Computing kpt #: 60 total cpu time spent up to now is 72.9 secs Computing kpt #: 61 total cpu time spent up to now is 74.2 secs Computing kpt #: 62 total cpu time spent up to now is 75.5 secs Computing kpt #: 63 total cpu time spent up to now is 76.7 secs Computing kpt #: 64 total cpu time spent up to now is 77.9 secs Computing kpt #: 65 total cpu time spent up to now is 79.2 secs Computing kpt #: 66 total cpu time spent up to now is 80.9 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.7 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 84.5 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 86.3 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.1 secs Computing kpt #: 71 total cpu time spent up to now is 89.6 secs Computing kpt #: 72 total cpu time spent up to now is 91.0 secs Computing kpt #: 73 total cpu time spent up to now is 92.3 secs Computing kpt #: 74 total cpu time spent up to now is 93.3 secs Computing kpt #: 75 total cpu time spent up to now is 94.5 secs Computing kpt #: 76 total cpu time spent up to now is 95.5 secs Computing kpt #: 77 total cpu time spent up to now is 96.5 secs Computing kpt #: 78 total cpu time spent up to now is 97.5 secs Computing kpt #: 79 total cpu time spent up to now is 98.5 secs Computing kpt #: 80 total cpu time spent up to now is 100.0 secs Computing kpt #: 81 total cpu time spent up to now is 101.1 secs Computing kpt #: 82 total cpu time spent up to now is 102.3 secs Computing kpt #: 83 total cpu time spent up to now is 103.8 secs Computing kpt #: 84 total cpu time spent up to now is 104.8 secs Computing kpt #: 85 total cpu time spent up to now is 105.8 secs Computing kpt #: 86 total cpu time spent up to now is 106.7 secs Computing kpt #: 87 total cpu time spent up to now is 107.6 secs Computing kpt #: 88 total cpu time spent up to now is 108.3 secs Computing kpt #: 89 total cpu time spent up to now is 109.1 secs Computing kpt #: 90 total cpu time spent up to now is 110.2 secs Computing kpt #: 91 total cpu time spent up to now is 110.9 secs Computing kpt #: 92 total cpu time spent up to now is 111.7 secs Computing kpt #: 93 total cpu time spent up to now is 112.5 secs Computing kpt #: 94 total cpu time spent up to now is 113.2 secs Computing kpt #: 95 total cpu time spent up to now is 114.0 secs Computing kpt #: 96 total cpu time spent up to now is 114.7 secs Computing kpt #: 97 total cpu time spent up to now is 115.5 secs Computing kpt #: 98 total cpu time spent up to now is 116.2 secs Computing kpt #: 99 total cpu time spent up to now is 117.0 secs Computing kpt #: 100 total cpu time spent up to now is 117.7 secs Computing kpt #: 101 total cpu time spent up to now is 118.5 secs Computing kpt #: 102 total cpu time spent up to now is 119.3 secs Computing kpt #: 103 total cpu time spent up to now is 120.0 secs Computing kpt #: 104 total cpu time spent up to now is 120.8 secs Computing kpt #: 105 total cpu time spent up to now is 121.7 secs Computing kpt #: 106 total cpu time spent up to now is 122.5 secs Computing kpt #: 107 total cpu time spent up to now is 123.5 secs Computing kpt #: 108 total cpu time spent up to now is 124.5 secs Computing kpt #: 109 total cpu time spent up to now is 125.7 secs Computing kpt #: 110 total cpu time spent up to now is 127.2 secs Computing kpt #: 111 total cpu time spent up to now is 128.8 secs Computing kpt #: 112 total cpu time spent up to now is 130.8 secs Computing kpt #: 113 total cpu time spent up to now is 132.7 secs Computing kpt #: 114 total cpu time spent up to now is 134.5 secs Computing kpt #: 115 total cpu time spent up to now is 135.7 secs Computing kpt #: 116 total cpu time spent up to now is 137.2 secs Computing kpt #: 117 total cpu time spent up to now is 138.7 secs Computing kpt #: 118 total cpu time spent up to now is 140.2 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.1 secs Computing kpt #: 120 total cpu time spent up to now is 143.6 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.4 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 149.1 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.0 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.9 secs Computing kpt #: 126 total cpu time spent up to now is 154.5 secs Computing kpt #: 127 total cpu time spent up to now is 155.8 secs Computing kpt #: 128 total cpu time spent up to now is 157.0 secs Computing kpt #: 129 total cpu time spent up to now is 158.2 secs Computing kpt #: 130 total cpu time spent up to now is 159.3 secs Computing kpt #: 131 total cpu time spent up to now is 160.4 secs Computing kpt #: 132 total cpu time spent up to now is 161.5 secs Computing kpt #: 133 total cpu time spent up to now is 162.5 secs Computing kpt #: 134 total cpu time spent up to now is 163.5 secs Computing kpt #: 135 total cpu time spent up to now is 164.5 secs Computing kpt #: 136 total cpu time spent up to now is 165.4 secs Computing kpt #: 137 total cpu time spent up to now is 166.4 secs Computing kpt #: 138 total cpu time spent up to now is 167.3 secs Computing kpt #: 139 total cpu time spent up to now is 168.2 secs Computing kpt #: 140 total cpu time spent up to now is 169.2 secs Computing kpt #: 141 total cpu time spent up to now is 170.1 secs Computing kpt #: 142 total cpu time spent up to now is 171.0 secs Computing kpt #: 143 total cpu time spent up to now is 171.9 secs Computing kpt #: 144 total cpu time spent up to now is 172.9 secs Computing kpt #: 145 total cpu time spent up to now is 173.9 secs Computing kpt #: 146 total cpu time spent up to now is 175.0 secs Computing kpt #: 147 total cpu time spent up to now is 176.2 secs Computing kpt #: 148 total cpu time spent up to now is 177.5 secs Computing kpt #: 149 total cpu time spent up to now is 178.7 secs Computing kpt #: 150 total cpu time spent up to now is 180.1 secs Computing kpt #: 151 total cpu time spent up to now is 181.9 secs Computing kpt #: 152 total cpu time spent up to now is 183.3 secs Computing kpt #: 153 total cpu time spent up to now is 184.1 secs Computing kpt #: 154 total cpu time spent up to now is 184.9 secs Computing kpt #: 155 total cpu time spent up to now is 185.7 secs Computing kpt #: 156 total cpu time spent up to now is 186.7 secs Computing kpt #: 157 total cpu time spent up to now is 187.7 secs Computing kpt #: 158 total cpu time spent up to now is 188.7 secs Computing kpt #: 159 total cpu time spent up to now is 189.7 secs Computing kpt #: 160 total cpu time spent up to now is 190.6 secs Computing kpt #: 161 total cpu time spent up to now is 191.6 secs Computing kpt #: 162 total cpu time spent up to now is 192.5 secs Computing kpt #: 163 total cpu time spent up to now is 193.4 secs Computing kpt #: 164 total cpu time spent up to now is 194.3 secs Computing kpt #: 165 total cpu time spent up to now is 195.2 secs Computing kpt #: 166 total cpu time spent up to now is 196.0 secs Computing kpt #: 167 total cpu time spent up to now is 196.9 secs Computing kpt #: 168 total cpu time spent up to now is 197.7 secs Computing kpt #: 169 total cpu time spent up to now is 198.6 secs Computing kpt #: 170 total cpu time spent up to now is 199.4 secs Computing kpt #: 171 total cpu time spent up to now is 200.3 secs Computing kpt #: 172 total cpu time spent up to now is 201.1 secs Computing kpt #: 173 total cpu time spent up to now is 201.9 secs Computing kpt #: 174 total cpu time spent up to now is 202.7 secs Computing kpt #: 175 total cpu time spent up to now is 203.5 secs Computing kpt #: 176 total cpu time spent up to now is 204.3 secs Computing kpt #: 177 total cpu time spent up to now is 205.1 secs Computing kpt #: 178 total cpu time spent up to now is 205.9 secs Computing kpt #: 179 total cpu time spent up to now is 206.6 secs Computing kpt #: 180 total cpu time spent up to now is 207.4 secs Computing kpt #: 181 total cpu time spent up to now is 208.2 secs Computing kpt #: 182 total cpu time spent up to now is 209.0 secs Computing kpt #: 183 total cpu time spent up to now is 209.8 secs Computing kpt #: 184 total cpu time spent up to now is 210.6 secs Computing kpt #: 185 total cpu time spent up to now is 211.4 secs Computing kpt #: 186 total cpu time spent up to now is 212.3 secs Computing kpt #: 187 total cpu time spent up to now is 213.2 secs Computing kpt #: 188 total cpu time spent up to now is 214.0 secs Computing kpt #: 189 total cpu time spent up to now is 214.9 secs Computing kpt #: 190 total cpu time spent up to now is 215.7 secs Computing kpt #: 191 total cpu time spent up to now is 216.5 secs Computing kpt #: 192 total cpu time spent up to now is 217.3 secs Computing kpt #: 193 total cpu time spent up to now is 218.1 secs Computing kpt #: 194 total cpu time spent up to now is 218.9 secs Computing kpt #: 195 total cpu time spent up to now is 219.7 secs Computing kpt #: 196 total cpu time spent up to now is 220.4 secs Computing kpt #: 197 total cpu time spent up to now is 221.2 secs Computing kpt #: 198 total cpu time spent up to now is 221.9 secs Computing kpt #: 199 total cpu time spent up to now is 222.7 secs Computing kpt #: 200 total cpu time spent up to now is 223.4 secs Computing kpt #: 201 total cpu time spent up to now is 224.3 secs Computing kpt #: 202 total cpu time spent up to now is 225.0 secs Computing kpt #: 203 total cpu time spent up to now is 225.9 secs Computing kpt #: 204 total cpu time spent up to now is 226.7 secs Computing kpt #: 205 total cpu time spent up to now is 227.6 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.5 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.3 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.1 secs Computing kpt #: 209 total cpu time spent up to now is 234.5 secs Computing kpt #: 210 total cpu time spent up to now is 235.8 secs Computing kpt #: 211 total cpu time spent up to now is 237.1 secs Computing kpt #: 212 total cpu time spent up to now is 238.3 secs Computing kpt #: 213 total cpu time spent up to now is 239.6 secs Computing kpt #: 214 total cpu time spent up to now is 240.8 secs Computing kpt #: 215 total cpu time spent up to now is 242.3 secs Computing kpt #: 216 total cpu time spent up to now is 243.6 secs Computing kpt #: 217 total cpu time spent up to now is 244.4 secs Computing kpt #: 218 total cpu time spent up to now is 245.4 secs Computing kpt #: 219 total cpu time spent up to now is 246.9 secs Computing kpt #: 220 total cpu time spent up to now is 248.1 secs Computing kpt #: 221 total cpu time spent up to now is 249.6 secs Computing kpt #: 222 total cpu time spent up to now is 251.1 secs Computing kpt #: 223 total cpu time spent up to now is 252.6 secs Computing kpt #: 224 total cpu time spent up to now is 254.1 secs Computing kpt #: 225 total cpu time spent up to now is 255.6 secs Computing kpt #: 226 total cpu time spent up to now is 257.1 secs Computing kpt #: 227 total cpu time spent up to now is 258.6 secs Computing kpt #: 228 total cpu time spent up to now is 260.2 secs Computing kpt #: 229 total cpu time spent up to now is 261.7 secs Computing kpt #: 230 total cpu time spent up to now is 263.1 secs Computing kpt #: 231 total cpu time spent up to now is 264.5 secs Computing kpt #: 232 total cpu time spent up to now is 266.0 secs Computing kpt #: 233 total cpu time spent up to now is 267.1 secs Computing kpt #: 234 total cpu time spent up to now is 268.2 secs Computing kpt #: 235 total cpu time spent up to now is 269.6 secs Computing kpt #: 236 total cpu time spent up to now is 271.3 secs Computing kpt #: 237 total cpu time spent up to now is 272.8 secs Computing kpt #: 238 total cpu time spent up to now is 274.2 secs Computing kpt #: 239 total cpu time spent up to now is 275.7 secs Computing kpt #: 240 total cpu time spent up to now is 277.1 secs Computing kpt #: 241 total cpu time spent up to now is 278.6 secs Computing kpt #: 242 total cpu time spent up to now is 280.1 secs Computing kpt #: 243 total cpu time spent up to now is 281.5 secs Computing kpt #: 244 total cpu time spent up to now is 283.0 secs Computing kpt #: 245 total cpu time spent up to now is 284.4 secs Computing kpt #: 246 total cpu time spent up to now is 285.8 secs Computing kpt #: 247 total cpu time spent up to now is 287.3 secs Computing kpt #: 248 total cpu time spent up to now is 288.6 secs Computing kpt #: 249 total cpu time spent up to now is 290.1 secs Computing kpt #: 250 total cpu time spent up to now is 291.5 secs Computing kpt #: 251 total cpu time spent up to now is 293.3 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.0 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.9 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 298.6 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.5 secs Computing kpt #: 256 total cpu time spent up to now is 301.4 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.3 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.1 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.0 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.8 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.6 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.4 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.2 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.1 secs Computing kpt #: 265 total cpu time spent up to now is 316.8 secs Computing kpt #: 266 total cpu time spent up to now is 317.6 secs Computing kpt #: 267 total cpu time spent up to now is 318.3 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.1 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.9 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 323.7 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.5 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.4 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 329.2 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 331.0 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.7 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.5 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.3 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 338.2 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.0 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 341.9 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.7 secs Computing kpt #: 282 total cpu time spent up to now is 345.5 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.4 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.2 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.1 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 352.9 secs Computing kpt #: 287 total cpu time spent up to now is 354.7 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.5 secs Computing kpt #: 289 total cpu time spent up to now is 357.5 secs Computing kpt #: 290 total cpu time spent up to now is 358.5 secs Computing kpt #: 291 total cpu time spent up to now is 359.5 secs Computing kpt #: 292 total cpu time spent up to now is 360.3 secs Computing kpt #: 293 total cpu time spent up to now is 361.1 secs Computing kpt #: 294 total cpu time spent up to now is 362.0 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.9 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.8 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.6 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 369.5 secs Computing kpt #: 299 total cpu time spent up to now is 371.4 secs Computing kpt #: 300 total cpu time spent up to now is 372.9 secs Computing kpt #: 301 total cpu time spent up to now is 374.2 secs Computing kpt #: 302 total cpu time spent up to now is 375.3 secs Computing kpt #: 303 total cpu time spent up to now is 376.4 secs Computing kpt #: 304 total cpu time spent up to now is 377.5 secs Computing kpt #: 305 total cpu time spent up to now is 379.2 secs Computing kpt #: 306 total cpu time spent up to now is 380.9 secs Computing kpt #: 307 total cpu time spent up to now is 382.3 secs Computing kpt #: 308 total cpu time spent up to now is 383.8 secs Computing kpt #: 309 total cpu time spent up to now is 384.8 secs Computing kpt #: 310 total cpu time spent up to now is 386.2 secs Computing kpt #: 311 total cpu time spent up to now is 387.2 secs Computing kpt #: 312 total cpu time spent up to now is 388.4 secs Computing kpt #: 313 total cpu time spent up to now is 389.5 secs Computing kpt #: 314 total cpu time spent up to now is 390.6 secs Computing kpt #: 315 total cpu time spent up to now is 391.8 secs Computing kpt #: 316 total cpu time spent up to now is 392.8 secs Computing kpt #: 317 total cpu time spent up to now is 394.2 secs Computing kpt #: 318 total cpu time spent up to now is 395.3 secs Computing kpt #: 319 total cpu time spent up to now is 396.8 secs ethr = 2.08E-08, avg # of iterations = 67.8 total cpu time spent up to now is 396.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6109 PWs) bands (ev): -5.8051 -5.8051 -5.4537 -5.4537 -4.9930 -4.9930 -4.5006 -4.5006 -3.7532 -3.7532 -3.7010 -3.7010 4.1699 4.1699 4.3294 4.3294 4.3492 4.3492 4.4893 4.4893 4.5044 4.5044 4.7753 4.7753 4.7802 4.7802 4.9491 4.9491 4.9603 4.9603 5.0946 5.0946 5.1139 5.1139 6.6353 6.6353 7.8272 7.8272 8.3981 8.3981 8.6606 8.6606 8.7278 8.7278 9.0057 9.0057 9.2964 9.2964 10.7467 10.7467 10.7824 10.7824 11.0822 11.0822 11.1148 11.1148 11.2172 11.2172 k = 0.0100 0.0058-0.0000 ( 6113 PWs) bands (ev): -5.8041 -5.8041 -5.4529 -5.4529 -4.9921 -4.9921 -4.5001 -4.5001 -3.7530 -3.7530 -3.7011 -3.7011 4.1697 4.1697 4.3299 4.3299 4.3498 4.3498 4.4768 4.4768 4.5001 4.5001 4.7789 4.7789 4.7949 4.7949 4.9495 4.9495 4.9612 4.9612 5.0941 5.0941 5.1138 5.1138 6.6384 6.6384 7.8218 7.8218 8.3931 8.3931 8.6522 8.6522 8.7283 8.7283 9.0023 9.0023 9.2933 9.2933 10.7506 10.7506 10.7859 10.7859 11.0820 11.0820 11.1142 11.1142 11.2191 11.2191 k = 0.0200 0.0115-0.0000 ( 6115 PWs) bands (ev): -5.8010 -5.8010 -5.4506 -5.4506 -4.9893 -4.9893 -4.4989 -4.4989 -3.7525 -3.7525 -3.7013 -3.7013 4.1691 4.1691 4.3315 4.3315 4.3516 4.3516 4.4353 4.4353 4.5004 4.5004 4.7791 4.7791 4.8397 4.8397 4.9497 4.9497 4.9652 4.9652 5.0903 5.0903 5.1158 5.1158 6.6475 6.6475 7.8055 7.8055 8.3781 8.3781 8.6300 8.6300 8.7271 8.7271 8.9922 8.9922 9.2842 9.2842 10.7622 10.7622 10.7963 10.7963 11.0808 11.0808 11.1128 11.1128 11.2248 11.2248 k = 0.0300 0.0173-0.0000 ( 6119 PWs) bands (ev): -5.7960 -5.7960 -5.4468 -5.4468 -4.9847 -4.9847 -4.4967 -4.4967 -3.7516 -3.7516 -3.7016 -3.7016 4.1680 4.1680 4.3340 4.3340 4.3546 4.3546 4.3806 4.3806 4.5037 4.5037 4.7790 4.7790 4.8952 4.8952 4.9497 4.9497 4.9745 4.9745 5.0812 5.0812 5.1226 5.1226 6.6623 6.6623 7.7780 7.7780 8.3533 8.3533 8.5988 8.5988 8.7209 8.7209 8.9757 8.9757 9.2691 9.2691 10.7806 10.7806 10.8131 10.8131 11.0779 11.0779 11.1116 11.1116 11.2346 11.2346 k = 0.0400 0.0231-0.0000 ( 6111 PWs) bands (ev): -5.7889 -5.7889 -5.4416 -5.4416 -4.9783 -4.9783 -4.4938 -4.4938 -3.7504 -3.7504 -3.7021 -3.7021 4.1664 4.1664 4.3209 4.3209 4.3372 4.3372 4.3593 4.3593 4.5087 4.5087 4.7785 4.7785 4.9339 4.9339 4.9624 4.9624 4.9944 4.9944 5.0698 5.0698 5.1341 5.1341 6.6822 6.6822 7.7389 7.7389 8.3192 8.3192 8.5617 8.5617 8.7081 8.7081 8.9534 8.9534 9.2482 9.2482 10.8052 10.8052 10.8357 10.8357 11.0721 11.0721 11.1118 11.1118 11.2489 11.2489 k = 0.0500 0.0289-0.0000 ( 6103 PWs) bands (ev): -5.7799 -5.7799 -5.4348 -5.4348 -4.9700 -4.9700 -4.4900 -4.4900 -3.7488 -3.7488 -3.7027 -3.7027 4.1644 4.1644 4.2597 4.2597 4.3408 4.3408 4.3657 4.3657 4.5152 4.5152 4.7775 4.7775 4.9359 4.9359 4.9877 4.9877 5.0227 5.0227 5.0765 5.0765 5.1496 5.1496 6.7066 6.7066 7.6881 7.6881 8.2764 8.2764 8.5207 8.5207 8.6888 8.6888 8.9263 8.9263 9.2217 9.2217 10.8349 10.8349 10.8630 10.8630 11.0629 11.0629 11.1139 11.1139 11.2678 11.2678 k = 0.0600 0.0346-0.0000 ( 6101 PWs) bands (ev): -5.7688 -5.7688 -5.4266 -5.4266 -4.9600 -4.9600 -4.4855 -4.4855 -3.7469 -3.7469 -3.7034 -3.7034 4.1618 4.1618 4.1987 4.1987 4.3447 4.3447 4.3740 4.3740 4.5232 4.5232 4.7754 4.7754 4.9331 4.9331 5.0045 5.0045 5.0165 5.0165 5.1333 5.1333 5.1688 5.1688 6.7346 6.7346 7.6255 7.6255 8.2254 8.2254 8.4768 8.4768 8.6636 8.6636 8.8952 8.8952 9.1901 9.1901 10.8691 10.8691 10.8939 10.8939 11.0508 11.0508 11.1179 11.1179 11.2914 11.2914 k = 0.0700 0.0404-0.0000 ( 6103 PWs) bands (ev): -5.7559 -5.7559 -5.4170 -5.4170 -4.9483 -4.9483 -4.4803 -4.4803 -3.7447 -3.7447 -3.7043 -3.7043 4.1386 4.1386 4.1588 4.1588 4.3488 4.3488 4.3841 4.3841 4.5326 4.5326 4.7719 4.7719 4.9304 4.9304 4.9885 4.9885 5.0321 5.0321 5.1914 5.1914 5.2039 5.2039 6.7655 6.7655 7.5517 7.5517 8.1669 8.1669 8.4305 8.4305 8.6337 8.6337 8.8613 8.8613 9.1536 9.1536 10.9068 10.9068 10.9273 10.9273 11.0364 11.0364 11.1236 11.1236 11.3197 11.3197 k = 0.0800 0.0462-0.0000 ( 6105 PWs) bands (ev): -5.7411 -5.7411 -5.4060 -5.4060 -4.9349 -4.9349 -4.4743 -4.4743 -3.7421 -3.7421 -3.7052 -3.7052 4.0801 4.0801 4.1550 4.1550 4.3531 4.3531 4.3960 4.3960 4.5435 4.5435 4.7667 4.7667 4.9288 4.9288 4.9637 4.9637 5.0564 5.0564 5.2175 5.2175 5.2773 5.2773 6.7982 6.7982 7.4675 7.4675 8.1011 8.1011 8.3821 8.3821 8.6006 8.6006 8.8253 8.8253 9.1126 9.1126 10.9466 10.9466 10.9626 10.9626 11.0204 11.0204 11.1309 11.1309 11.3523 11.3523 k = 0.0900 0.0520-0.0000 ( 6105 PWs) bands (ev): -5.7244 -5.7244 -5.3937 -5.3937 -4.9198 -4.9198 -4.4677 -4.4677 -3.7392 -3.7392 -3.7063 -3.7063 4.0234 4.0234 4.1507 4.1507 4.3576 4.3576 4.4097 4.4097 4.5558 4.5558 4.7596 4.7596 4.9273 4.9273 4.9389 4.9389 5.0839 5.0839 5.2469 5.2469 5.3517 5.3517 6.8318 6.8318 7.3744 7.3744 8.0282 8.0282 8.3317 8.3317 8.5658 8.5658 8.7876 8.7876 9.0678 9.0678 10.9843 10.9843 11.0009 11.0009 11.0049 11.0049 11.1399 11.1399 11.3889 11.3889 k = 0.1000 0.0577-0.0000 ( 6085 PWs) bands (ev): -5.7059 -5.7059 -5.3800 -5.3800 -4.9032 -4.9032 -4.4605 -4.4605 -3.7359 -3.7359 -3.7074 -3.7074 3.9689 3.9689 4.1457 4.1457 4.3621 4.3621 4.4251 4.4251 4.5694 4.5694 4.7506 4.7506 4.9083 4.9083 4.9335 4.9335 5.1144 5.1144 5.2795 5.2795 5.4261 5.4261 6.8652 6.8652 7.2740 7.2740 7.9482 7.9482 8.2796 8.2796 8.5306 8.5306 8.7487 8.7487 9.0196 9.0196 10.9826 10.9826 11.0225 11.0225 11.0460 11.0460 11.1508 11.1508 11.4289 11.4289 k = 0.1100 0.0635-0.0000 ( 6081 PWs) bands (ev): -5.6856 -5.6856 -5.3651 -5.3651 -4.8850 -4.8850 -4.4527 -4.4527 -3.7323 -3.7323 -3.7086 -3.7086 3.9167 3.9167 4.1401 4.1401 4.3664 4.3664 4.4421 4.4421 4.5843 4.5843 4.7402 4.7402 4.8822 4.8822 4.9379 4.9379 5.1478 5.1478 5.3152 5.3152 5.5002 5.5002 6.8965 6.8965 7.1689 7.1689 7.8613 7.8613 8.2261 8.2261 8.4959 8.4959 8.7088 8.7088 8.9685 8.9685 10.9639 10.9639 11.0547 11.0547 11.0935 11.0935 11.1638 11.1638 11.4719 11.4719 k = 0.1200 0.0693-0.0000 ( 6081 PWs) bands (ev): -5.6637 -5.6637 -5.3490 -5.3490 -4.8654 -4.8654 -4.4444 -4.4444 -3.7284 -3.7284 -3.7099 -3.7099 3.8670 3.8670 4.1340 4.1340 4.3702 4.3702 4.4606 4.4606 4.6004 4.6004 4.7291 4.7291 4.8567 4.8567 4.9449 4.9449 5.1840 5.1840 5.3541 5.3541 5.5735 5.5735 6.9194 6.9194 7.0659 7.0659 7.7682 7.7682 8.1717 8.1717 8.4619 8.4619 8.6680 8.6680 8.9153 8.9153 10.9444 10.9444 11.0851 11.0851 11.1421 11.1421 11.1794 11.1794 11.5175 11.5175 k = 0.1300 0.0751-0.0000 ( 6081 PWs) bands (ev): -5.6402 -5.6402 -5.3317 -5.3317 -4.8444 -4.8444 -4.4357 -4.4357 -3.7241 -3.7241 -3.7112 -3.7112 3.8199 3.8199 4.1273 4.1273 4.3731 4.3731 4.4805 4.4805 4.6176 4.6176 4.7180 4.7180 4.8325 4.8325 4.9540 4.9540 5.2231 5.2231 5.3959 5.3959 5.6458 5.6458 6.8942 6.8942 7.0054 7.0054 7.6694 7.6694 8.1168 8.1168 8.4288 8.4288 8.6266 8.6266 8.8605 8.8605 10.9248 10.9248 11.1139 11.1139 11.1854 11.1854 11.2033 11.2033 11.5652 11.5652 k = 0.1400 0.0808-0.0000 ( 6079 PWs) bands (ev): -5.6150 -5.6150 -5.3134 -5.3134 -4.8221 -4.8221 -4.4267 -4.4267 -3.7195 -3.7195 -3.7125 -3.7125 3.7756 3.7756 4.1201 4.1201 4.3745 4.3745 4.5018 4.5018 4.6354 4.6354 4.7081 4.7081 4.8101 4.8101 4.9650 4.9650 5.2649 5.2649 5.4406 5.4406 5.7168 5.7168 6.7947 6.7947 7.0138 7.0138 7.5660 7.5660 8.0617 8.0617 8.3962 8.3962 8.5848 8.5848 8.8049 8.8049 10.9055 10.9055 11.1411 11.1411 11.2096 11.2096 11.2484 11.2484 11.6148 11.6148 k = 0.1500 0.0866-0.0000 ( 6059 PWs) bands (ev): -5.5885 -5.5885 -5.2940 -5.2940 -4.7986 -4.7986 -4.4173 -4.4173 -3.7147 -3.7147 -3.7137 -3.7137 3.7340 3.7340 4.1126 4.1126 4.3738 4.3738 4.5243 4.5243 4.6531 4.6531 4.7013 4.7013 4.7898 4.7898 4.9777 4.9777 5.3093 5.3093 5.4881 5.4881 5.7863 5.7863 6.6778 6.6778 7.0343 7.0343 7.4592 7.4592 8.0068 8.0068 8.3639 8.3639 8.5428 8.5428 8.7492 8.7492 10.8865 10.8865 11.1667 11.1667 11.2305 11.2305 11.2985 11.2985 11.6659 11.6659 k = 0.1600 0.0924-0.0000 ( 6071 PWs) bands (ev): -5.5605 -5.5605 -5.2737 -5.2737 -4.7741 -4.7741 -4.4077 -4.4077 -3.7150 -3.7150 -3.7093 -3.7093 3.6954 3.6954 4.1050 4.1050 4.3703 4.3703 4.5481 4.5481 4.6678 4.6678 4.7009 4.7009 4.7720 4.7720 4.9919 4.9919 5.3563 5.3563 5.5383 5.5383 5.8539 5.8539 6.5573 6.5573 7.0531 7.0531 7.3504 7.3504 7.9524 7.9524 8.3315 8.3315 8.5011 8.5011 8.6941 8.6941 10.8683 10.8683 11.1908 11.1908 11.2520 11.2520 11.3486 11.3486 11.7180 11.7180 k = 0.1700 0.0981-0.0000 ( 6073 PWs) bands (ev): -5.5312 -5.5312 -5.2525 -5.2525 -4.7486 -4.7486 -4.3980 -4.3980 -3.7161 -3.7161 -3.7037 -3.7037 3.6597 3.6597 4.0974 4.0974 4.3633 4.3633 4.5728 4.5728 4.6754 4.6754 4.7115 4.7115 4.7569 4.7569 5.0076 5.0076 5.4056 5.4056 5.5911 5.5911 5.9195 5.9195 6.4358 6.4358 7.0654 7.0654 7.2428 7.2428 7.8986 7.8986 8.2984 8.2984 8.4600 8.4600 8.6403 8.6403 10.8511 10.8511 11.2135 11.2135 11.2743 11.2743 11.3979 11.3979 11.7706 11.7706 k = 0.1800 0.1039-0.0000 ( 6075 PWs) bands (ev): -5.5008 -5.5008 -5.2305 -5.2305 -4.7223 -4.7223 -4.3882 -4.3882 -3.7171 -3.7171 -3.6978 -3.6978 3.6270 3.6270 4.0901 4.0901 4.3522 4.3522 4.5985 4.5985 4.6796 4.6796 4.7271 4.7271 4.7475 4.7475 5.0245 5.0245 5.4574 5.4574 5.6464 5.6464 5.9827 5.9827 6.3150 6.3150 7.0567 7.0567 7.1506 7.1506 7.8458 7.8458 8.2643 8.2643 8.4200 8.4200 8.5886 8.5886 10.8349 10.8349 11.2351 11.2351 11.2971 11.2971 11.4460 11.4460 11.8222 11.8222 k = 0.1900 0.1097-0.0000 ( 6075 PWs) bands (ev): -5.4692 -5.4692 -5.2078 -5.2078 -4.6953 -4.6953 -4.3784 -4.3784 -3.7178 -3.7178 -3.6915 -3.6915 3.5974 3.5974 4.0834 4.0834 4.3369 4.3369 4.6248 4.6248 4.6854 4.6854 4.7281 4.7281 4.7585 4.7585 5.0426 5.0426 5.5113 5.5113 5.7040 5.7040 6.0426 6.0426 6.1965 6.1965 6.9845 6.9845 7.1165 7.1165 7.7940 7.7940 8.2290 8.2290 8.3813 8.3813 8.5394 8.5394 10.8201 10.8201 11.2556 11.2556 11.3199 11.3199 11.4925 11.4925 11.8631 11.8631 k = 0.2000 0.1155-0.0000 ( 6077 PWs) bands (ev): -5.4366 -5.4366 -5.1844 -5.1844 -4.6677 -4.6677 -4.3686 -4.3686 -3.7183 -3.7183 -3.6849 -3.6849 3.5707 3.5707 4.0774 4.0774 4.3174 4.3174 4.6511 4.6511 4.6940 4.6940 4.7223 4.7223 4.7811 4.7811 5.0619 5.0619 5.5672 5.5672 5.7639 5.7639 6.0664 6.0664 6.1133 6.1133 6.8796 6.8796 7.1100 7.1100 7.7434 7.7434 8.1925 8.1925 8.3443 8.3443 8.4933 8.4933 10.8067 10.8067 11.2752 11.2752 11.3425 11.3425 11.5371 11.5371 11.8726 11.8726 k = 0.2100 0.1212-0.0000 ( 6073 PWs) bands (ev): -5.4031 -5.4031 -5.1604 -5.1604 -4.6398 -4.6398 -4.3590 -4.3590 -3.7184 -3.7184 -3.6780 -3.6780 3.5470 3.5470 4.0725 4.0725 4.2938 4.2938 4.6754 4.6754 4.7052 4.7052 4.7203 4.7203 4.8058 4.8058 5.0822 5.0822 5.6250 5.6250 5.8258 5.8258 5.9598 5.9598 6.1606 6.1606 6.7706 6.7706 7.1032 7.1032 7.6942 7.6942 8.1547 8.1547 8.3091 8.3091 8.4506 8.4506 10.7950 10.7950 11.2940 11.2940 11.3644 11.3644 11.5794 11.5794 11.8708 11.8708 k = 0.2200 0.1270-0.0000 ( 6081 PWs) bands (ev): -5.3689 -5.3689 -5.1360 -5.1360 -4.6117 -4.6117 -4.3495 -4.3495 -3.7181 -3.7181 -3.6707 -3.6707 3.5264 3.5264 4.0690 4.0690 4.2664 4.2664 4.6906 4.6906 4.7211 4.7211 4.7274 4.7274 4.8316 4.8316 5.1037 5.1037 5.6839 5.6839 5.8497 5.8497 5.8900 5.8900 6.2117 6.2117 6.6625 6.6625 7.0920 7.0920 7.6465 7.6465 8.1162 8.1162 8.2755 8.2755 8.4114 8.4114 10.7851 10.7851 11.3120 11.3120 11.3855 11.3855 11.6193 11.6193 11.8666 11.8666 k = 0.2300 0.1328-0.0000 ( 6079 PWs) bands (ev): -5.3340 -5.3340 -5.1112 -5.1112 -4.5836 -4.5836 -4.3404 -4.3404 -3.7172 -3.7172 -3.6631 -3.6631 3.5087 3.5087 4.0669 4.0669 4.2353 4.2353 4.6945 4.6945 4.7385 4.7385 4.7481 4.7481 4.8579 4.8579 5.1261 5.1261 5.7260 5.7260 5.7621 5.7621 5.9556 5.9556 6.2591 6.2591 6.5574 6.5574 7.0759 7.0759 7.6003 7.6003 8.0773 8.0773 8.2435 8.2435 8.3757 8.3757 10.7771 10.7771 11.3295 11.3295 11.4056 11.4056 11.6566 11.6566 11.8612 11.8612 k = 0.2400 0.1386-0.0000 ( 6085 PWs) bands (ev): -5.2986 -5.2986 -5.0860 -5.0860 -4.5557 -4.5557 -4.3315 -4.3315 -3.7158 -3.7158 -3.6552 -3.6552 3.4939 3.4939 4.0665 4.0665 4.2009 4.2009 4.6954 4.6954 4.7547 4.7547 4.7760 4.7760 4.8847 4.8847 5.1497 5.1497 5.6360 5.6360 5.8123 5.8123 6.0230 6.0230 6.3008 6.3008 6.4575 6.4575 7.0554 7.0554 7.5557 7.5557 8.0384 8.0384 8.2127 8.2127 8.3434 8.3434 10.7711 10.7711 11.3464 11.3464 11.4248 11.4248 11.6909 11.6909 11.8552 11.8552 k = 0.2500 0.1443-0.0000 ( 6077 PWs) bands (ev): -5.2628 -5.2628 -5.0607 -5.0607 -4.5283 -4.5283 -4.3231 -4.3231 -3.7136 -3.7136 -3.6469 -3.6469 3.4819 3.4819 4.0674 4.0674 4.1635 4.1635 4.6966 4.6966 4.7710 4.7710 4.8053 4.8053 4.9118 4.9118 5.1743 5.1743 5.5391 5.5391 5.8758 5.8758 6.0918 6.0918 6.3224 6.3224 6.3775 6.3775 7.0316 7.0316 7.5127 7.5127 8.0000 8.0000 8.1832 8.1832 8.3139 8.3139 10.7672 10.7672 11.3628 11.3628 11.4429 11.4429 11.7223 11.7223 11.8487 11.8487 k = 0.2600 0.1501-0.0000 ( 6069 PWs) bands (ev): -5.2268 -5.2268 -5.0351 -5.0351 -4.5014 -4.5014 -4.3151 -4.3151 -3.7106 -3.7106 -3.6383 -3.6383 3.4727 3.4727 4.0678 4.0678 4.1252 4.1252 4.6986 4.6986 4.7866 4.7866 4.8350 4.8350 4.9388 4.9388 5.1999 5.1999 5.4471 5.4471 5.9409 5.9409 6.1619 6.1619 6.2582 6.2582 6.3831 6.3831 7.0062 7.0062 7.4714 7.4714 7.9623 7.9623 8.1548 8.1548 8.2869 8.2869 10.7656 10.7656 11.3788 11.3788 11.4603 11.4603 11.7504 11.7504 11.8420 11.8420 k = 0.2700 0.1559-0.0000 ( 6081 PWs) bands (ev): -5.1907 -5.1907 -5.0096 -5.0096 -4.4755 -4.4755 -4.3076 -4.3076 -3.7066 -3.7066 -3.6294 -3.6294 3.4662 3.4662 4.0551 4.0551 4.0987 4.0987 4.7017 4.7017 4.8005 4.8005 4.8647 4.8647 4.9658 4.9658 5.2265 5.2265 5.3608 5.3608 6.0065 6.0065 6.1774 6.1774 6.2333 6.2333 6.4048 6.4048 6.9816 6.9816 7.4318 7.4318 7.9256 7.9256 8.1274 8.1274 8.2618 8.2618 10.7663 10.7663 11.3944 11.3944 11.4769 11.4769 11.7749 11.7749 11.8356 11.8356 k = 0.2800 0.1617-0.0000 ( 6069 PWs) bands (ev): -5.1545 -5.1545 -4.9840 -4.9840 -4.4506 -4.4506 -4.3006 -4.3006 -3.7016 -3.7016 -3.6202 -3.6202 3.4623 3.4623 4.0148 4.0148 4.0987 4.0987 4.7059 4.7059 4.8117 4.8117 4.8944 4.8944 4.9923 4.9923 5.2531 5.2531 5.2814 5.2814 6.0665 6.0665 6.1099 6.1099 6.3049 6.3049 6.4187 6.4187 6.9603 6.9603 7.3941 7.3941 7.8898 7.8898 8.1011 8.1011 8.2378 8.2378 10.7693 10.7693 11.4097 11.4097 11.4931 11.4931 11.7947 11.7947 11.8306 11.8306 k = 0.2900 0.1674-0.0000 ( 6073 PWs) bands (ev): -5.1186 -5.1186 -4.9586 -4.9586 -4.4270 -4.4270 -4.2942 -4.2942 -3.6955 -3.6955 -3.6106 -3.6106 3.4608 3.4608 3.9640 3.9640 4.1083 4.1083 4.7111 4.7111 4.8191 4.8191 4.9237 4.9237 5.0178 5.0178 5.2057 5.2057 5.2833 5.2833 6.0320 6.0320 6.1465 6.1465 6.3759 6.3759 6.4229 6.4229 6.9451 6.9451 7.3583 7.3583 7.8553 7.8553 8.0759 8.0759 8.2146 8.2146 10.7747 10.7747 11.4246 11.4246 11.5088 11.5088 11.8053 11.8053 11.8316 11.8316 k = 0.3000 0.1732-0.0000 ( 6074 PWs) bands (ev): -5.0830 -5.0830 -4.9334 -4.9334 -4.4050 -4.4050 -4.2884 -4.2884 -3.6881 -3.6881 -3.6009 -3.6009 3.4616 3.4616 3.9086 3.9086 4.1218 4.1218 4.7172 4.7172 4.8218 4.8218 4.9524 4.9524 5.0403 5.0403 5.1408 5.1408 5.3119 5.3119 5.9783 5.9783 6.2131 6.2131 6.4067 6.4067 6.4550 6.4550 6.9379 6.9379 7.3245 7.3245 7.8219 7.8219 8.0519 8.0519 8.1913 8.1913 10.7825 10.7825 11.4392 11.4392 11.5243 11.5243 11.8040 11.8040 11.8413 11.8413 k = 0.3100 0.1790-0.0000 ( 6078 PWs) bands (ev): -5.0478 -5.0478 -4.9084 -4.9084 -4.3846 -4.3846 -4.2832 -4.2832 -3.6794 -3.6794 -3.5909 -3.5909 3.4646 3.4646 3.8500 3.8500 4.1383 4.1383 4.7244 4.7244 4.8182 4.8182 4.9802 4.9802 5.0446 5.0446 5.1003 5.1003 5.3407 5.3407 5.9351 5.9351 6.2804 6.2804 6.3860 6.3860 6.5263 6.5263 6.9390 6.9390 7.2928 7.2928 7.7899 7.7899 8.0291 8.0291 8.1677 8.1677 10.7927 10.7927 11.4535 11.4535 11.5396 11.5396 11.7984 11.7984 11.8525 11.8525 k = 0.3200 0.1848-0.0000 ( 6072 PWs) bands (ev): -5.0132 -5.0132 -4.8839 -4.8839 -4.3661 -4.3661 -4.2787 -4.2787 -3.6695 -3.6695 -3.5807 -3.5807 3.4696 3.4696 3.7890 3.7890 4.1573 4.1573 4.7325 4.7325 4.8062 4.8062 4.9991 4.9991 5.0158 5.0158 5.1087 5.1087 5.3687 5.3687 5.9041 5.9041 6.3379 6.3379 6.3624 6.3624 6.5991 6.5991 6.9477 6.9477 7.2635 7.2635 7.7593 7.7593 8.0076 8.0076 8.1433 8.1433 10.8053 10.8053 11.4675 11.4675 11.5547 11.5547 11.7918 11.7918 11.8619 11.8619 k = 0.3300 0.1905-0.0000 ( 6076 PWs) bands (ev): -4.9794 -4.9794 -4.8598 -4.8598 -4.3496 -4.3496 -4.2749 -4.2749 -3.6584 -3.6584 -3.5704 -3.5704 3.4765 3.4765 3.7265 3.7265 4.1786 4.1786 4.7415 4.7415 4.7832 4.7832 4.9651 4.9651 5.0362 5.0362 5.1301 5.1301 5.3952 5.3952 5.8855 5.8855 6.3059 6.3059 6.4186 6.4186 6.6715 6.6715 6.9621 6.9621 7.2368 7.2368 7.7301 7.7301 7.9874 7.9874 8.1178 8.1178 10.8202 10.8202 11.4813 11.4813 11.5695 11.5695 11.7849 11.7849 11.8688 11.8688 k = 0.3400 0.1963-0.0000 ( 6080 PWs) bands (ev): -4.9465 -4.9465 -4.8362 -4.8362 -4.3350 -4.3350 -4.2717 -4.2717 -3.6460 -3.6460 -3.5599 -3.5599 3.4849 3.4849 3.6633 3.6633 4.2018 4.2018 4.7479 4.7479 4.7517 4.7517 4.9355 4.9355 5.0613 5.0613 5.1528 5.1528 5.4194 5.4194 5.8791 5.8791 6.2564 6.2564 6.4846 6.4846 6.7433 6.7433 6.9802 6.9802 7.2130 7.2130 7.7024 7.7024 7.9687 7.9687 8.0912 8.0912 10.8373 10.8373 11.4947 11.4947 11.5842 11.5842 11.7781 11.7781 11.8731 11.8731 k = 0.3500 0.2021-0.0000 ( 6078 PWs) bands (ev): -4.9145 -4.9145 -4.8133 -4.8133 -4.3224 -4.3224 -4.2692 -4.2692 -3.6327 -3.6327 -3.5495 -3.5495 3.4946 3.4946 3.6002 3.6002 4.2266 4.2266 4.7031 4.7031 4.7627 4.7627 4.9155 4.9155 5.0855 5.0855 5.1753 5.1753 5.4408 5.4408 5.8840 5.8840 6.2017 6.2017 6.5500 6.5500 6.8138 6.8138 6.9999 6.9999 7.1929 7.1929 7.6762 7.6762 7.9515 7.9515 8.0632 8.0632 10.8565 10.8565 11.5079 11.5079 11.5984 11.5984 11.7715 11.7715 11.8749 11.8749 k = 0.3600 0.2078-0.0000 ( 6074 PWs) bands (ev): -4.8837 -4.8837 -4.7911 -4.7911 -4.3118 -4.3118 -4.2673 -4.2673 -3.6184 -3.6184 -3.5391 -3.5391 3.5036 3.5036 3.5399 3.5399 4.2526 4.2526 4.6524 4.6524 4.7751 4.7751 4.9025 4.9025 5.1086 5.1086 5.1970 5.1970 5.4591 5.4591 5.8989 5.8989 6.1436 6.1436 6.6139 6.6139 6.8828 6.8828 7.0190 7.0190 7.1775 7.1775 7.6516 7.6516 7.9357 7.9357 8.0339 8.0339 10.8777 10.8777 11.5207 11.5207 11.6121 11.6121 11.7651 11.7651 11.8743 11.8743 k = 0.3700 0.2136-0.0000 ( 6070 PWs) bands (ev): -4.8542 -4.8542 -4.7697 -4.7697 -4.3031 -4.3031 -4.2660 -4.2660 -3.6035 -3.6035 -3.5288 -3.5288 3.4724 3.4724 3.5222 3.5222 4.2792 4.2792 4.5995 4.5995 4.7889 4.7889 4.8939 4.8939 5.1303 5.1303 5.2178 5.2178 5.4743 5.4743 5.9217 5.9217 6.0837 6.0837 6.6759 6.6759 6.9496 6.9496 7.0348 7.0348 7.1689 7.1689 7.6285 7.6285 7.9213 7.9213 8.0036 8.0036 10.9006 10.9006 11.5330 11.5330 11.6253 11.6253 11.7589 11.7589 11.8714 11.8714 k = 0.3800 0.2194-0.0000 ( 6062 PWs) bands (ev): -4.8261 -4.8261 -4.7492 -4.7492 -4.2962 -4.2962 -4.2653 -4.2653 -3.5882 -3.5882 -3.5187 -3.5187 3.4144 3.4144 3.5340 3.5340 4.3057 4.3057 4.5467 4.5467 4.8043 4.8043 4.8884 4.8884 5.1506 5.1506 5.2374 5.2374 5.4869 5.4869 5.9489 5.9489 6.0244 6.0244 6.7356 6.7356 7.0127 7.0127 7.0457 7.0457 7.1695 7.1695 7.6071 7.6071 7.9080 7.9080 7.9726 7.9726 10.9251 10.9251 11.5447 11.5447 11.6376 11.6376 11.7529 11.7529 11.8659 11.8659 k = 0.3900 0.2252-0.0000 ( 6072 PWs) bands (ev): -4.7996 -4.7996 -4.7297 -4.7297 -4.2909 -4.2909 -4.2651 -4.2651 -3.5727 -3.5727 -3.5090 -3.5090 3.3580 3.3580 3.5476 3.5476 4.3313 4.3313 4.4957 4.4957 4.8215 4.8215 4.8852 4.8852 5.1695 5.1695 5.2558 5.2558 5.4972 5.4972 5.9484 5.9484 5.9967 5.9967 6.7924 6.7924 7.0428 7.0428 7.0795 7.0795 7.1800 7.1800 7.5872 7.5872 7.8950 7.8950 7.9418 7.9418 10.9509 10.9509 11.5551 11.5551 11.6492 11.6492 11.7470 11.7470 11.8340 11.8342 k = 0.4000 0.2309-0.0000 ( 6084 PWs) bands (ev): -4.7747 -4.7747 -4.7113 -4.7113 -4.2870 -4.2870 -4.2654 -4.2654 -3.5573 -3.5573 -3.4997 -3.4997 3.3046 3.3046 3.5616 3.5616 4.3540 4.3540 4.4489 4.4489 4.8406 4.8406 4.8843 4.8843 5.1867 5.1867 5.2729 5.2729 5.5055 5.5055 5.8919 5.8919 6.0278 6.0278 6.8458 6.8458 7.0410 7.0410 7.1367 7.1367 7.1980 7.1980 7.5689 7.5689 7.8798 7.8798 7.9141 7.9141 10.9776 10.9776 11.5618 11.5618 11.6595 11.6595 11.7313 11.7313 11.7435 11.7435 k = 0.4100 0.2367-0.0000 ( 6078 PWs) bands (ev): -4.7516 -4.7516 -4.6941 -4.6941 -4.2844 -4.2844 -4.2662 -4.2662 -3.5423 -3.5423 -3.4910 -3.4910 3.2548 3.2548 3.5757 3.5757 4.3653 4.3653 4.4151 4.4151 4.8601 4.8601 4.8868 4.8868 5.2024 5.2024 5.2885 5.2885 5.5122 5.5122 5.8308 5.8308 6.0650 6.0650 6.8950 6.8950 7.0362 7.0362 7.1910 7.1910 7.2207 7.2207 7.5523 7.5523 7.8568 7.8568 7.8951 7.8951 11.0048 11.0048 11.5526 11.5526 11.6488 11.6488 11.6713 11.6713 11.7361 11.7361 k = 0.4200 0.2425-0.0000 ( 6074 PWs) bands (ev): -4.7303 -4.7303 -4.6783 -4.6783 -4.2828 -4.2828 -4.2672 -4.2672 -3.5279 -3.5279 -3.4829 -3.4829 3.2090 3.2090 3.5896 3.5896 4.3431 4.3431 4.4162 4.4162 4.8736 4.8736 4.8993 4.8993 5.2164 5.2164 5.3027 5.3027 5.5176 5.5176 5.7700 5.7700 6.1027 6.1027 6.9383 6.9383 7.0322 7.0322 7.2396 7.2396 7.2477 7.2477 7.5373 7.5373 7.8267 7.8267 7.8843 7.8843 11.0322 11.0322 11.4963 11.4963 11.6217 11.6217 11.6791 11.6791 11.7303 11.7303 k = 0.4300 0.2483-0.0000 ( 6072 PWs) bands (ev): -4.7112 -4.7112 -4.6639 -4.6639 -4.2821 -4.2821 -4.2685 -4.2685 -3.5144 -3.5144 -3.4756 -3.4756 3.1677 3.1677 3.6028 3.6028 4.3083 4.3083 4.4314 4.4314 4.8785 4.8785 4.9238 4.9238 5.2287 5.2287 5.3153 5.3153 5.5217 5.5217 5.7104 5.7104 6.1393 6.1393 6.9715 6.9715 7.0343 7.0343 7.2703 7.2703 7.2890 7.2890 7.5240 7.5240 7.7942 7.7942 7.8774 7.8774 11.0591 11.0591 11.4181 11.4181 11.6239 11.6239 11.6870 11.6870 11.7247 11.7247 k = 0.4400 0.2540-0.0000 ( 6082 PWs) bands (ev): -4.6941 -4.6941 -4.6510 -4.6510 -4.2821 -4.2821 -4.2699 -4.2699 -3.5019 -3.5019 -3.4693 -3.4693 3.1313 3.1313 3.6152 3.6152 4.2753 4.2753 4.4466 4.4466 4.8812 4.8812 4.9537 4.9537 5.2394 5.2394 5.3264 5.3264 5.5247 5.5247 5.6526 5.6526 6.1734 6.1734 6.9870 6.9870 7.0501 7.0501 7.2969 7.2969 7.3297 7.3297 7.5125 7.5125 7.7613 7.7613 7.8726 7.8726 11.0849 11.0849 11.3432 11.3432 11.6315 11.6315 11.6940 11.6940 11.7196 11.7196 k = 0.4500 0.2598-0.0000 ( 6086 PWs) bands (ev): -4.6794 -4.6794 -4.6399 -4.6399 -4.2825 -4.2825 -4.2714 -4.2714 -3.4907 -3.4907 -3.4640 -3.4640 3.1000 3.1000 3.6263 3.6263 4.2463 4.2463 4.4597 4.4597 4.8835 4.8835 4.9864 4.9864 5.2482 5.2482 5.3358 5.3358 5.5264 5.5264 5.5978 5.5978 6.2040 6.2040 6.9892 6.9892 7.0751 7.0751 7.3226 7.3226 7.3650 7.3650 7.5029 7.5029 7.7292 7.7292 7.8690 7.8690 11.1089 11.1089 11.2769 11.2769 11.6400 11.6400 11.6990 11.6990 11.7162 11.7162 k = 0.4600 0.2656-0.0000 ( 6082 PWs) bands (ev): -4.6672 -4.6672 -4.6305 -4.6305 -4.2831 -4.2831 -4.2728 -4.2728 -3.4810 -3.4810 -3.4599 -3.4599 3.0740 3.0740 3.6358 3.6358 4.2221 4.2221 4.4702 4.4702 4.8855 4.8855 5.0205 5.0205 5.2553 5.2553 5.3435 5.3435 5.5235 5.5235 5.5503 5.5503 6.2304 6.2304 6.9873 6.9873 7.1000 7.1000 7.3468 7.3468 7.3946 7.3946 7.4957 7.4957 7.6987 7.6987 7.8664 7.8664 11.1303 11.1303 11.2211 11.2211 11.6477 11.6477 11.6992 11.6992 11.7175 11.7175 k = 0.4700 0.2714-0.0000 ( 6082 PWs) bands (ev): -4.6575 -4.6575 -4.6231 -4.6231 -4.2838 -4.2838 -4.2740 -4.2740 -3.4728 -3.4728 -3.4571 -3.4571 3.0536 3.0536 3.6435 3.6435 4.2029 4.2029 4.4782 4.4782 4.8873 4.8873 5.0542 5.0542 5.2606 5.2606 5.3495 5.3495 5.4930 5.4930 5.5350 5.5350 6.2518 6.2518 6.9848 6.9848 7.1208 7.1208 7.3681 7.3681 7.4180 7.4180 7.4911 7.4911 7.6709 7.6709 7.8646 7.8646 11.1482 11.1482 11.1768 11.1768 11.6543 11.6543 11.6953 11.6953 11.7210 11.7212 k = 0.4800 0.2771-0.0000 ( 6072 PWs) bands (ev): -4.6504 -4.6504 -4.6178 -4.6178 -4.2845 -4.2845 -4.2750 -4.2750 -3.4663 -3.4663 -3.4556 -3.4556 3.0389 3.0389 3.6492 3.6492 4.1891 4.1891 4.4838 4.4838 4.8886 4.8886 5.0846 5.0846 5.2639 5.2639 5.3537 5.3537 5.4553 5.4553 5.5341 5.5341 6.2675 6.2675 6.9826 6.9826 7.1364 7.1364 7.3850 7.3850 7.4349 7.4349 7.4894 7.4894 7.6475 7.6475 7.8635 7.8635 11.1443 11.1443 11.1621 11.1621 11.6595 11.6595 11.6896 11.6896 11.7061 11.7061 k = 0.4900 0.2829-0.0000 ( 6070 PWs) bands (ev): -4.6462 -4.6462 -4.6145 -4.6145 -4.2849 -4.2849 -4.2756 -4.2756 -3.4615 -3.4615 -3.4554 -3.4554 3.0301 3.0301 3.6527 3.6527 4.1808 4.1808 4.4871 4.4871 4.8895 4.8895 5.1070 5.1070 5.2654 5.2654 5.3562 5.3562 5.4286 5.4286 5.5341 5.5341 6.2771 6.2771 6.9813 6.9813 7.1459 7.1459 7.3957 7.3957 7.4451 7.4451 7.4900 7.4900 7.6312 7.6312 7.8628 7.8628 11.1250 11.1250 11.1705 11.1705 11.6633 11.6633 11.6833 11.6833 11.6982 11.6982 k = 0.5000 0.2887-0.0000 ( 6058 PWs) bands (ev): -4.6448 -4.6448 -4.6134 -4.6134 -4.2850 -4.2850 -4.2758 -4.2758 -3.4594 -3.4594 -3.4559 -3.4559 3.0271 3.0271 3.6539 3.6539 4.1780 4.1780 4.4882 4.4882 4.8898 4.8898 5.1155 5.1155 5.2657 5.2657 5.3570 5.3570 5.4188 5.4188 5.5342 5.5342 6.2803 6.2803 6.9808 6.9808 7.1492 7.1492 7.3994 7.3994 7.4486 7.4486 7.4907 7.4907 7.6251 7.6251 7.8626 7.8626 11.1185 11.1185 11.1734 11.1734 11.6650 11.6650 11.6802 11.6802 11.6960 11.6961 k = 0.5000 0.2887-0.0000 ( 6058 PWs) bands (ev): -4.6448 -4.6448 -4.6134 -4.6134 -4.2850 -4.2850 -4.2758 -4.2758 -3.4594 -3.4594 -3.4559 -3.4559 3.0271 3.0271 3.6539 3.6539 4.1780 4.1780 4.4882 4.4882 4.8898 4.8898 5.1155 5.1155 5.2657 5.2657 5.3570 5.3570 5.4188 5.4188 5.5342 5.5342 6.2803 6.2803 6.9808 6.9808 7.1492 7.1492 7.3994 7.3994 7.4486 7.4486 7.4907 7.4907 7.6251 7.6251 7.8626 7.8626 11.1185 11.1185 11.1734 11.1734 11.6650 11.6650 11.6802 11.6802 11.6961 11.6961 k = 0.4943 0.2986-0.0000 ( 6068 PWs) bands (ev): -4.6443 -4.6443 -4.6130 -4.6130 -4.2851 -4.2851 -4.2758 -4.2758 -3.4591 -3.4591 -3.4557 -3.4557 3.0284 3.0284 3.6557 3.6557 4.1786 4.1786 4.4889 4.4889 4.8879 4.8879 5.1149 5.1149 5.2685 5.2685 5.3570 5.3570 5.4196 5.4196 5.5321 5.5321 6.2762 6.2762 6.9855 6.9855 7.1410 7.1410 7.3978 7.3978 7.4435 7.4435 7.4914 7.4914 7.6277 7.6277 7.8654 7.8654 11.1066 11.1066 11.1698 11.1698 11.6500 11.6500 11.6837 11.6837 11.6979 11.6979 k = 0.4885 0.3086-0.0000 ( 6076 PWs) bands (ev): -4.6430 -4.6430 -4.6118 -4.6118 -4.2852 -4.2852 -4.2759 -4.2759 -3.4582 -3.4582 -3.4548 -3.4548 3.0325 3.0325 3.6610 3.6610 4.1803 4.1803 4.4909 4.4909 4.8826 4.8826 5.1134 5.1134 5.2765 5.2765 5.3567 5.3567 5.4221 5.4221 5.5258 5.5258 6.2647 6.2647 6.9991 6.9991 7.1171 7.1171 7.3930 7.3930 7.4290 7.4290 7.4936 7.4936 7.6347 7.6347 7.8733 7.8733 11.0729 11.0729 11.1590 11.1590 11.6266 11.6266 11.6806 11.6806 11.6937 11.6937 k = 0.4828 0.3185-0.0000 ( 6072 PWs) bands (ev): -4.6408 -4.6408 -4.6099 -4.6099 -4.2854 -4.2854 -4.2761 -4.2761 -3.4568 -3.4568 -3.4533 -3.4533 3.0392 3.0392 3.6699 3.6699 4.1832 4.1832 4.4944 4.4944 4.8742 4.8742 5.1110 5.1110 5.2895 5.2895 5.3562 5.3562 5.4262 5.4262 5.5150 5.5150 6.2476 6.2476 7.0198 7.0198 7.0791 7.0791 7.3848 7.3848 7.4063 7.4063 7.4976 7.4976 7.6452 7.6452 7.8848 7.8848 11.0220 11.0220 11.1408 11.1408 11.6023 11.6023 11.6702 11.6702 11.6828 11.6828 k = 0.4770 0.3285-0.0000 ( 6080 PWs) bands (ev): -4.6377 -4.6377 -4.6072 -4.6072 -4.2857 -4.2857 -4.2763 -4.2763 -3.4548 -3.4548 -3.4512 -3.4512 3.0485 3.0485 3.6823 3.6823 4.1872 4.1872 4.4993 4.4993 4.8631 4.8631 5.1077 5.1077 5.3067 5.3067 5.3554 5.3554 5.4316 5.4316 5.4996 5.4996 6.2273 6.2273 7.0283 7.0283 7.0463 7.0463 7.3722 7.3722 7.3777 7.3777 7.5036 7.5036 7.6583 7.6583 7.8979 7.8979 10.9589 10.9589 11.1150 11.1150 11.5779 11.5779 11.6464 11.6464 11.6757 11.6757 k = 0.4713 0.3384-0.0000 ( 6084 PWs) bands (ev): -4.6337 -4.6337 -4.6037 -4.6037 -4.2860 -4.2860 -4.2767 -4.2767 -3.4523 -3.4523 -3.4486 -3.4486 3.0605 3.0605 3.6982 3.6982 4.1922 4.1922 4.5056 4.5056 4.8501 4.8501 5.1038 5.1038 5.3274 5.3274 5.3539 5.3539 5.4373 5.4373 5.4801 5.4801 6.2064 6.2064 6.9685 6.9685 7.0748 7.0748 7.3407 7.3407 7.3588 7.3588 7.5119 7.5119 7.6730 7.6730 7.9110 7.9110 10.8875 10.8875 11.0817 11.0817 11.5530 11.5530 11.6134 11.6134 11.6719 11.6719 k = 0.4655 0.3484-0.0000 ( 6072 PWs) bands (ev): -4.6290 -4.6290 -4.5995 -4.5995 -4.2865 -4.2865 -4.2772 -4.2772 -3.4492 -3.4492 -3.4453 -3.4453 3.0751 3.0751 3.7175 3.7175 4.1982 4.1982 4.5133 4.5133 4.8357 4.8357 5.0994 5.0994 5.3498 5.3498 5.3527 5.3527 5.4366 5.4366 5.4635 5.4635 6.1869 6.1869 6.9003 6.9003 7.1044 7.1044 7.3004 7.3004 7.3405 7.3405 7.5229 7.5229 7.6891 7.6891 7.9227 7.9227 10.8110 10.8110 11.0416 11.0416 11.5253 11.5253 11.5767 11.5767 11.6707 11.6707 k = 0.4598 0.3584-0.0000 ( 6074 PWs) bands (ev): -4.6234 -4.6234 -4.5946 -4.5946 -4.2872 -4.2872 -4.2777 -4.2777 -3.4456 -3.4456 -3.4416 -3.4416 3.0922 3.0922 3.7402 3.7402 4.2050 4.2050 4.5225 4.5225 4.8202 4.8202 5.0946 5.0946 5.3471 5.3471 5.3761 5.3761 5.4145 5.4145 5.4662 5.4662 6.1706 6.1706 6.8255 6.8255 7.1327 7.1327 7.2559 7.2559 7.3196 7.3196 7.5366 7.5366 7.7061 7.7061 7.9319 7.9319 10.7312 10.7312 10.9955 10.9955 11.4889 11.4889 11.5438 11.5438 11.6723 11.6723 k = 0.4540 0.3683-0.0000 ( 6070 PWs) bands (ev): -4.6171 -4.6171 -4.5891 -4.5891 -4.2879 -4.2879 -4.2785 -4.2785 -3.4416 -3.4416 -3.4373 -3.4373 3.1118 3.1118 3.7663 3.7663 4.2126 4.2126 4.5333 4.5333 4.8040 4.8040 5.0896 5.0896 5.3380 5.3380 5.3766 5.3766 5.4106 5.4106 5.4773 5.4773 6.1586 6.1586 6.7455 6.7455 7.1561 7.1561 7.2089 7.2089 7.2971 7.2971 7.5531 7.5531 7.7241 7.7241 7.9381 7.9381 10.6495 10.6495 10.9448 10.9448 11.4407 11.4407 11.5191 11.5191 11.6764 11.6764 k = 0.4483 0.3783-0.0000 ( 6086 PWs) bands (ev): -4.6101 -4.6101 -4.5828 -4.5828 -4.2889 -4.2889 -4.2794 -4.2794 -3.4371 -3.4371 -3.4325 -3.4325 3.1338 3.1338 3.7956 3.7956 4.2208 4.2208 4.5456 4.5456 4.7875 4.7875 5.0843 5.0843 5.3125 5.3125 5.3559 5.3559 5.4380 5.4380 5.4917 5.4917 6.1513 6.1513 6.6616 6.6616 7.1466 7.1466 7.1846 7.1846 7.2759 7.2759 7.5723 7.5723 7.7428 7.7428 7.9409 7.9409 10.5669 10.5669 10.8906 10.8906 11.3841 11.3841 11.4999 11.4999 11.6826 11.6826 k = 0.4425 0.3882-0.0000 ( 6084 PWs) bands (ev): -4.6024 -4.6024 -4.5760 -4.5760 -4.2900 -4.2900 -4.2805 -4.2805 -3.4323 -3.4323 -3.4273 -3.4273 3.1582 3.1582 3.8281 3.8281 4.2293 4.2293 4.5594 4.5594 4.7708 4.7708 5.0788 5.0788 5.2697 5.2697 5.3456 5.3456 5.4667 5.4667 5.5096 5.5096 6.1487 6.1487 6.5747 6.5747 7.0942 7.0942 7.1852 7.1852 7.2637 7.2637 7.5941 7.5941 7.7621 7.7621 7.9401 7.9401 10.4841 10.4841 10.8345 10.8345 11.3224 11.3224 11.4838 11.4838 11.6902 11.6902 k = 0.4368 0.3982-0.0000 ( 6068 PWs) bands (ev): -4.5941 -4.5941 -4.5685 -4.5685 -4.2914 -4.2914 -4.2818 -4.2818 -3.4270 -3.4270 -3.4217 -3.4217 3.1848 3.1848 3.8635 3.8635 4.2378 4.2378 4.5749 4.5749 4.7542 4.7542 5.0729 5.0729 5.2205 5.2205 5.3377 5.3377 5.4927 5.4927 5.5329 5.5329 6.1505 6.1505 6.4858 6.4858 7.0361 7.0361 7.1679 7.1679 7.2669 7.2669 7.6180 7.6180 7.7820 7.7820 7.9358 7.9358 10.4015 10.4015 10.7774 10.7774 11.2574 11.2574 11.4698 11.4698 11.6986 11.6986 k = 0.4310 0.4081-0.0000 ( 6074 PWs) bands (ev): -4.5852 -4.5852 -4.5606 -4.5606 -4.2931 -4.2931 -4.2833 -4.2833 -3.4214 -3.4214 -3.4157 -3.4157 3.2136 3.2136 3.9019 3.9019 4.2460 4.2460 4.5919 4.5919 4.7379 4.7379 5.0656 5.0656 5.1702 5.1702 5.3298 5.3298 5.5141 5.5141 5.5624 5.5624 6.1563 6.1563 6.3957 6.3957 6.9755 6.9755 7.1374 7.1374 7.2782 7.2782 7.6435 7.6435 7.8023 7.8023 7.9281 7.9281 10.3197 10.3197 10.7205 10.7205 11.1902 11.1902 11.4573 11.4573 11.7072 11.7072 k = 0.4253 0.4181-0.0000 ( 6084 PWs) bands (ev): -4.5758 -4.5758 -4.5521 -4.5521 -4.2950 -4.2950 -4.2851 -4.2851 -3.4155 -3.4155 -3.4094 -3.4094 3.2444 3.2444 3.9429 3.9429 4.2531 4.2531 4.6104 4.6104 4.7220 4.7220 5.0538 5.0538 5.1242 5.1242 5.3212 5.3212 5.5323 5.5323 5.5964 5.5964 6.1653 6.1653 6.3054 6.3054 6.9131 6.9131 7.1007 7.1007 7.2912 7.2912 7.6699 7.6699 7.8229 7.8229 7.9174 7.9174 10.2388 10.2388 10.6647 10.6647 11.1217 11.1217 11.4460 11.4460 11.7152 11.7152 k = 0.4195 0.4280-0.0000 ( 6082 PWs) bands (ev): -4.5659 -4.5659 -4.5432 -4.5432 -4.2972 -4.2972 -4.2872 -4.2872 -3.4094 -3.4094 -3.4029 -3.4029 3.2771 3.2771 3.9864 3.9864 4.2587 4.2587 4.6301 4.6301 4.7069 4.7069 5.0289 5.0289 5.0929 5.0929 5.3118 5.3118 5.5483 5.5483 5.6323 5.6323 6.1765 6.1765 6.2163 6.2163 6.8497 6.8497 7.0602 7.0602 7.3039 7.3039 7.6968 7.6968 7.8435 7.8435 7.9040 7.9040 10.1593 10.1593 10.6107 10.6107 11.0527 11.0527 11.4356 11.4356 11.7222 11.7222 k = 0.4138 0.4380-0.0000 ( 6090 PWs) bands (ev): -4.5556 -4.5556 -4.5339 -4.5339 -4.2997 -4.2997 -4.2896 -4.2896 -3.4031 -3.4031 -3.3963 -3.3963 3.3116 3.3116 4.0321 4.0321 4.2616 4.2616 4.6497 4.6497 4.6940 4.6940 4.9901 4.9901 5.0790 5.0790 5.3019 5.3019 5.5626 5.5626 5.6685 5.6685 6.1275 6.1275 6.1916 6.1916 6.7862 6.7862 7.0169 7.0169 7.3158 7.3158 7.7233 7.7233 7.8629 7.8629 7.8893 7.8893 10.0816 10.0816 10.5591 10.5591 10.9839 10.9839 11.4260 11.4260 11.7274 11.7274 k = 0.4080 0.4479-0.0000 ( 6094 PWs) bands (ev): -4.5450 -4.5450 -4.5242 -4.5242 -4.3026 -4.3026 -4.2923 -4.2923 -3.3967 -3.3967 -3.3895 -3.3895 3.3477 3.3477 4.0796 4.0796 4.2610 4.2610 4.6612 4.6612 4.6913 4.6913 4.9492 4.9492 5.0727 5.0727 5.2914 5.2914 5.5747 5.5747 5.7025 5.7025 6.0447 6.0447 6.2064 6.2064 6.7234 6.7234 6.9715 6.9715 7.3270 7.3270 7.7491 7.7491 7.8651 7.8651 7.8895 7.8895 10.0058 10.0058 10.5104 10.5104 10.9161 10.9161 11.4170 11.4170 11.7302 11.7302 k = 0.4023 0.4579-0.0000 ( 6098 PWs) bands (ev): -4.5341 -4.5341 -4.5142 -4.5142 -4.3058 -4.3058 -4.2955 -4.2955 -3.3902 -3.3902 -3.3826 -3.3826 3.3852 3.3852 4.1282 4.1282 4.2559 4.2559 4.6546 4.6546 4.7087 4.7087 4.9133 4.9133 5.0690 5.0690 5.2808 5.2808 5.5838 5.5838 5.7288 5.7288 5.9720 5.9720 6.2223 6.2223 6.6624 6.6624 6.9243 6.9243 7.3378 7.3378 7.7732 7.7732 7.8472 7.8472 7.9082 7.9082 9.9325 9.9325 10.4649 10.4649 10.8498 10.8498 11.4085 11.4085 11.7282 11.7283 k = 0.3966 0.4679-0.0000 ( 6090 PWs) bands (ev): -4.5230 -4.5230 -4.5040 -4.5040 -4.3095 -4.3095 -4.2990 -4.2990 -3.3837 -3.3837 -3.3759 -3.3759 3.4240 3.4240 4.1764 4.1764 4.2462 4.2462 4.6428 4.6428 4.7329 4.7329 4.8857 4.8857 5.0666 5.0666 5.2703 5.2703 5.5888 5.5888 5.7330 5.7330 5.9244 5.9244 6.2382 6.2382 6.6043 6.6043 6.8757 6.8757 7.3484 7.3484 7.7930 7.7930 7.8291 7.8291 7.9278 7.9278 9.8620 9.8620 10.4231 10.4231 10.7858 10.7858 11.4002 11.4002 11.7178 11.7178 k = 0.3908 0.4778-0.0000 ( 6092 PWs) bands (ev): -4.5117 -4.5117 -4.4935 -4.4935 -4.3135 -4.3135 -4.3029 -4.3029 -3.3774 -3.3774 -3.3692 -3.3692 3.4637 3.4637 4.2095 4.2095 4.2454 4.2454 4.6307 4.6307 4.7580 4.7580 4.8691 4.8691 5.0649 5.0649 5.2604 5.2604 5.5876 5.5876 5.6993 5.6993 5.9185 5.9185 6.2536 6.2536 6.5506 6.5506 6.8261 6.8261 7.3592 7.3592 7.7921 7.7921 7.8285 7.8285 7.9470 7.9470 9.7948 9.7948 10.3849 10.3849 10.7246 10.7246 11.3921 11.3921 11.7011 11.7011 k = 0.3851 0.4878-0.0000 ( 6092 PWs) bands (ev): -4.5004 -4.5004 -4.4830 -4.4830 -4.3180 -4.3180 -4.3072 -4.3072 -3.3712 -3.3712 -3.3628 -3.3628 3.5042 3.5042 4.1942 4.1942 4.2862 4.2862 4.6191 4.6191 4.7815 4.7815 4.8659 4.8659 5.0638 5.0638 5.2515 5.2515 5.5758 5.5758 5.6439 5.6439 5.9417 5.9417 6.2678 6.2678 6.5026 6.5026 6.7759 6.7759 7.3704 7.3704 7.7713 7.7713 7.8449 7.8449 7.9654 7.9654 9.7312 9.7312 10.3507 10.3507 10.6669 10.6669 11.3841 11.3841 11.6838 11.6838 k = 0.3793 0.4977-0.0000 ( 6082 PWs) bands (ev): -4.4890 -4.4890 -4.4724 -4.4724 -4.3229 -4.3229 -4.3120 -4.3120 -3.3653 -3.3653 -3.3567 -3.3567 3.5452 3.5452 4.1646 4.1646 4.3343 4.3343 4.6083 4.6083 4.8015 4.8015 4.8777 4.8777 5.0632 5.0632 5.2440 5.2440 5.5393 5.5393 5.5975 5.5975 5.9761 5.9761 6.2802 6.2802 6.4617 6.4617 6.7257 6.7257 7.3822 7.3822 7.7470 7.7470 7.8620 7.8620 7.9828 7.9828 9.6719 9.6719 10.3203 10.3203 10.6133 10.6133 11.3763 11.3763 11.6680 11.6680 k = 0.3736 0.5077-0.0000 ( 6078 PWs) bands (ev): -4.4777 -4.4777 -4.4618 -4.4618 -4.3282 -4.3282 -4.3172 -4.3172 -3.3598 -3.3598 -3.3509 -3.3509 3.5863 3.5863 4.1293 4.1293 4.3813 4.3813 4.5986 4.5986 4.8191 4.8191 4.9019 4.9019 5.0632 5.0632 5.2383 5.2383 5.4778 5.4778 5.5670 5.5670 6.0145 6.0145 6.2901 6.2901 6.4290 6.4290 6.6761 6.6761 7.3949 7.3949 7.7218 7.7218 7.8777 7.8777 7.9989 7.9989 9.6173 9.6173 10.2939 10.2939 10.5643 10.5643 11.3686 11.3686 11.6547 11.6547 k = 0.3678 0.5176-0.0000 ( 6072 PWs) bands (ev): -4.4666 -4.4666 -4.4513 -4.4513 -4.3340 -4.3340 -4.3228 -4.3228 -3.3547 -3.3547 -3.3456 -3.3456 3.6273 3.6273 4.0905 4.0905 4.4255 4.4255 4.5901 4.5901 4.8378 4.8378 4.9340 4.9340 5.0643 5.0643 5.2345 5.2345 5.4111 5.4111 5.5349 5.5349 6.0538 6.0538 6.2969 6.2969 6.4053 6.4053 6.6277 6.6277 7.4085 7.4085 7.6965 7.6965 7.8913 7.8913 8.0134 8.0134 9.5680 9.5680 10.2712 10.2712 10.5205 10.5205 11.3613 11.3613 11.6442 11.6442 k = 0.3621 0.5276-0.0000 ( 6080 PWs) bands (ev): -4.4558 -4.4558 -4.4411 -4.4411 -4.3400 -4.3400 -4.3287 -4.3287 -3.3502 -3.3502 -3.3409 -3.3409 3.6677 3.6677 4.0500 4.0500 4.4652 4.4652 4.5829 4.5829 4.8592 4.8592 4.9705 4.9705 5.0671 5.0671 5.2327 5.2327 5.3462 5.3462 5.4962 5.4962 6.0926 6.0926 6.3001 6.3001 6.3904 6.3904 6.5813 6.5813 7.4231 7.4231 7.6715 7.6715 7.9027 7.9027 8.0263 8.0263 9.5247 9.5247 10.2524 10.2524 10.4824 10.4824 11.3546 11.3546 11.6367 11.6367 k = 0.3563 0.5375-0.0000 ( 6082 PWs) bands (ev): -4.4454 -4.4454 -4.4313 -4.4313 -4.3463 -4.3463 -4.3348 -4.3348 -3.3463 -3.3463 -3.3368 -3.3368 3.7071 3.7071 4.0093 4.0093 4.4990 4.4990 4.5772 4.5772 4.8833 4.8833 5.0096 5.0096 5.0724 5.0724 5.2326 5.2326 5.2856 5.2856 5.4507 5.4507 6.1300 6.1300 6.2992 6.2992 6.3837 6.3837 6.5380 6.5380 7.4382 7.4382 7.6476 7.6476 7.9119 7.9119 8.0373 8.0373 9.4879 9.4879 10.2372 10.2372 10.4504 10.4504 11.3486 11.3486 11.6320 11.6320 k = 0.3506 0.5475-0.0000 ( 6088 PWs) bands (ev): -4.4359 -4.4359 -4.4223 -4.4223 -4.3526 -4.3526 -4.3409 -4.3409 -3.3432 -3.3432 -3.3335 -3.3335 3.7450 3.7450 3.9696 3.9696 4.5259 4.5259 4.5728 4.5728 4.9090 4.9090 5.0499 5.0499 5.0808 5.0808 5.2280 5.2280 5.2367 5.2367 5.3999 5.3999 6.1651 6.1651 6.2940 6.2940 6.3841 6.3841 6.4987 6.4987 7.4535 7.4535 7.6256 7.6256 7.9189 7.9189 8.0461 8.0461 9.4582 9.4582 10.2255 10.2255 10.4249 10.4249 11.3436 11.3436 11.6301 11.6301 k = 0.3448 0.5574-0.0000 ( 6076 PWs) bands (ev): -4.4276 -4.4276 -4.4145 -4.4145 -4.3585 -4.3585 -4.3465 -4.3465 -3.3409 -3.3409 -3.3310 -3.3310 3.7803 3.7803 3.9325 3.9325 4.5450 4.5450 4.5699 4.5699 4.9340 4.9340 5.0882 5.0882 5.0935 5.0935 5.1841 5.1841 5.2362 5.2362 5.3471 5.3471 6.1972 6.1972 6.2841 6.2841 6.3903 6.3903 6.4647 6.4647 7.4674 7.4674 7.6069 7.6069 7.9237 7.9237 8.0527 8.0527 9.4364 9.4364 10.2172 10.2172 10.4064 10.4064 11.3398 11.3398 11.6304 11.6304 k = 0.3391 0.5674-0.0000 ( 6068 PWs) bands (ev): -4.4217 -4.4217 -4.4089 -4.4089 -4.3629 -4.3629 -4.3507 -4.3507 -3.3394 -3.3394 -3.3295 -3.3295 3.8107 3.8107 3.9009 3.9009 4.5564 4.5564 4.5681 4.5681 4.9539 4.9539 5.1065 5.1065 5.1218 5.1218 5.1514 5.1514 5.2373 5.2373 5.2999 5.2999 6.2255 6.2255 6.2696 6.2696 6.4008 6.4008 6.4375 6.4375 7.4779 7.4779 7.5936 7.5936 7.9265 7.9265 8.0568 8.0568 9.4229 9.4229 10.2123 10.2123 10.3951 10.3951 11.3374 11.3374 11.6321 11.6322 k = 0.3333 0.5774-0.0000 ( 6066 PWs) bands (ev): -4.4194 -4.4194 -4.4068 -4.4068 -4.3647 -4.3647 -4.3524 -4.3524 -3.3389 -3.3389 -3.3290 -3.3290 3.8255 3.8255 3.8856 3.8856 4.5602 4.5602 4.5673 4.5673 4.9618 4.9618 5.1190 5.1190 5.1321 5.1321 5.1379 5.1379 5.2372 5.2372 5.2787 5.2787 6.2465 6.2465 6.2534 6.2534 6.4104 6.4104 6.4223 6.4223 7.4819 7.4819 7.5888 7.5888 7.9274 7.9274 8.0582 8.0582 9.4183 9.4183 10.2107 10.2107 10.3913 10.3913 11.3366 11.3366 11.6333 11.6333 k = 0.3333 0.5774-0.0000 ( 6066 PWs) bands (ev): -4.4194 -4.4194 -4.4068 -4.4068 -4.3647 -4.3647 -4.3524 -4.3524 -3.3389 -3.3389 -3.3290 -3.3290 3.8255 3.8255 3.8856 3.8856 4.5602 4.5602 4.5673 4.5673 4.9618 4.9618 5.1190 5.1190 5.1321 5.1321 5.1379 5.1379 5.2372 5.2372 5.2787 5.2787 6.2465 6.2465 6.2534 6.2534 6.4104 6.4104 6.4223 6.4223 7.4819 7.4819 7.5888 7.5888 7.9274 7.9274 8.0582 8.0582 9.4183 9.4183 10.2107 10.2107 10.3913 10.3913 11.3366 11.3366 11.6333 11.6333 k = 0.3276 0.5674-0.0000 ( 6074 PWs) bands (ev): -4.4218 -4.4218 -4.4090 -4.4090 -4.3628 -4.3628 -4.3507 -4.3507 -3.3394 -3.3394 -3.3295 -3.3295 3.8129 3.8129 3.8988 3.8988 4.5567 4.5567 4.5680 4.5680 4.9544 4.9544 5.0884 5.0884 5.1429 5.1429 5.1502 5.1502 5.2371 5.2371 5.2975 5.2975 6.2256 6.2256 6.2695 6.2695 6.4037 6.4037 6.4346 6.4346 7.4782 7.4782 7.5932 7.5932 7.9266 7.9266 8.0567 8.0567 9.4230 9.4230 10.2123 10.2123 10.3952 10.3952 11.3374 11.3374 11.6316 11.6316 k = 0.3218 0.5574-0.0000 ( 6082 PWs) bands (ev): -4.4283 -4.4283 -4.4151 -4.4151 -4.3579 -4.3579 -4.3460 -4.3460 -3.3410 -3.3410 -3.3312 -3.3312 3.7912 3.7912 3.9223 3.9223 4.5475 4.5475 4.5690 4.5690 4.9360 4.9360 5.0333 5.0333 5.1603 5.1603 5.1768 5.1768 5.2357 5.2357 5.3385 5.3385 6.1971 6.1971 6.2832 6.2832 6.4021 6.4021 6.4528 6.4528 7.4693 7.4693 7.6040 7.6040 7.9245 7.9245 8.0523 8.0523 9.4375 9.4375 10.2172 10.2172 10.4068 10.4068 11.3400 11.3400 11.6269 11.6269 k = 0.3161 0.5475-0.0000 ( 6082 PWs) bands (ev): -4.4379 -4.4379 -4.4240 -4.4240 -4.3512 -4.3512 -4.3396 -4.3396 -3.3437 -3.3437 -3.3341 -3.3341 3.7708 3.7708 3.9462 3.9462 4.5339 4.5339 4.5696 4.5696 4.9077 4.9077 4.9804 4.9804 5.1714 5.1714 5.2136 5.2136 5.2361 5.2361 5.3881 5.3881 6.1642 6.1642 6.2912 6.2912 6.4099 6.4099 6.4724 6.4724 7.4584 7.4584 7.6172 7.6172 7.9217 7.9217 8.0447 8.0447 9.4619 9.4619 10.2256 10.2256 10.4263 10.4263 11.3442 11.3442 11.6208 11.6208 k = 0.3103 0.5375-0.0000 ( 6086 PWs) bands (ev): -4.4495 -4.4495 -4.4348 -4.4348 -4.3437 -4.3437 -4.3324 -4.3324 -3.3476 -3.3476 -3.3382 -3.3382 3.7539 3.7539 3.9683 3.9683 4.5169 4.5169 4.5694 4.5694 4.8593 4.8593 4.9488 4.9488 5.1699 5.1699 5.2436 5.2436 5.2564 5.2564 5.4418 5.4418 6.1273 6.1273 6.2932 6.2932 6.4269 6.4269 6.4926 6.4926 7.4476 7.4476 7.6299 7.6299 7.9190 7.9190 8.0339 8.0339 9.4964 9.4964 10.2374 10.2374 10.4536 10.4536 11.3501 11.3501 11.6144 11.6144 k = 0.3046 0.5276-0.0000 ( 6076 PWs) bands (ev): -4.4627 -4.4627 -4.4470 -4.4470 -4.3358 -4.3358 -4.3249 -4.3249 -3.3527 -3.3527 -3.3435 -3.3435 3.7413 3.7413 3.9884 3.9884 4.4971 4.4971 4.5682 4.5682 4.7952 4.7952 4.9379 4.9379 5.1560 5.1560 5.2582 5.2582 5.3027 5.3027 5.4980 5.4980 6.0868 6.0868 6.2891 6.2891 6.4525 6.4525 6.5128 6.5128 7.4379 7.4379 7.6396 7.6396 7.9171 7.9171 8.0198 8.0198 9.5409 9.5409 10.2530 10.2530 10.4887 10.4887 11.3575 11.3575 11.6081 11.6081 k = 0.2989 0.5176-0.0000 ( 6088 PWs) bands (ev): -4.4773 -4.4773 -4.4603 -4.4603 -4.3281 -4.3281 -4.3174 -4.3174 -3.3592 -3.3592 -3.3499 -3.3499 3.7334 3.7334 4.0063 4.0063 4.4753 4.4753 4.5656 4.5656 4.7267 4.7267 4.9385 4.9385 5.1338 5.1338 5.2758 5.2758 5.3518 5.3518 5.5561 5.5561 6.0430 6.0430 6.2792 6.2792 6.4852 6.4852 6.5327 6.5327 7.4300 7.4300 7.6445 7.6445 7.9174 7.9174 8.0023 8.0023 9.5952 9.5952 10.2726 10.2726 10.5313 10.5313 11.3663 11.3663 11.6021 11.6021 k = 0.2931 0.5077-0.0000 ( 6084 PWs) bands (ev): -4.4931 -4.4931 -4.4746 -4.4746 -4.3205 -4.3205 -4.3101 -4.3101 -3.3671 -3.3671 -3.3572 -3.3572 3.7305 3.7305 4.0223 4.0223 4.4518 4.4518 4.5607 4.5607 4.6590 4.6590 4.9467 4.9467 5.1065 5.1065 5.2941 5.2941 5.4028 5.4028 5.6156 5.6156 5.9963 5.9963 6.2635 6.2635 6.5235 6.5235 6.5523 6.5523 7.4241 7.4241 7.6431 7.6431 7.9206 7.9206 7.9816 7.9816 9.6591 9.6591 10.2964 10.2964 10.5812 10.5812 11.3763 11.3763 11.5965 11.5965 k = 0.2874 0.4977-0.0000 ( 6072 PWs) bands (ev): -4.5101 -4.5101 -4.4898 -4.4898 -4.3133 -4.3133 -4.3030 -4.3030 -3.3766 -3.3766 -3.3653 -3.3653 3.7328 3.7328 4.0366 4.0366 4.4271 4.4271 4.5452 4.5452 4.6027 4.6027 4.9602 4.9602 5.0762 5.0762 5.3121 5.3121 5.4555 5.4555 5.6762 5.6762 5.9473 5.9473 6.2426 6.2426 6.5624 6.5624 6.5746 6.5746 7.4203 7.4203 7.6345 7.6345 7.9272 7.9272 7.9580 7.9580 9.7321 9.7321 10.3247 10.3247 10.6381 10.6381 11.3870 11.3871 11.5912 11.5912 k = 0.2816 0.4878-0.0000 ( 6078 PWs) bands (ev): -4.5283 -4.5283 -4.5058 -4.5058 -4.3066 -4.3066 -4.2964 -4.2964 -3.3877 -3.3877 -3.3742 -3.3742 3.7403 3.7403 4.0493 4.0493 4.4011 4.4011 4.4973 4.4973 4.5814 4.5814 4.9758 4.9758 5.0460 5.0460 5.3294 5.3294 5.5094 5.5094 5.7373 5.7373 5.8965 5.8965 6.2170 6.2170 6.5846 6.5846 6.6153 6.6153 7.4185 7.4185 7.6186 7.6186 7.9274 7.9274 7.9411 7.9411 9.8136 9.8136 10.3579 10.3579 10.7015 10.7015 11.3984 11.3984 11.5860 11.5860 k = 0.2759 0.4778-0.0000 ( 6078 PWs) bands (ev): -4.5476 -4.5476 -4.5227 -4.5227 -4.3005 -4.3005 -4.2902 -4.2902 -3.4002 -3.4002 -3.3837 -3.3837 3.7532 3.7532 4.0608 4.0608 4.3735 4.3735 4.4345 4.4345 4.5793 4.5793 4.9804 4.9804 5.0288 5.0288 5.3457 5.3457 5.5639 5.5639 5.7967 5.7967 5.8466 5.8466 6.1873 6.1873 6.6005 6.6005 6.6622 6.6622 7.4186 7.4186 7.5958 7.5958 7.8992 7.8992 7.9529 7.9529 9.9028 9.9028 10.3960 10.3960 10.7710 10.7710 11.4100 11.4100 11.5809 11.5809 k = 0.2701 0.4679-0.0000 ( 6078 PWs) bands (ev): -4.5681 -4.5681 -4.5403 -4.5403 -4.2950 -4.2950 -4.2846 -4.2846 -3.4142 -3.4142 -3.3939 -3.3939 3.7714 3.7714 4.0712 4.0712 4.3401 4.3401 4.3754 4.3754 4.5832 4.5832 4.9565 4.9565 5.0419 5.0419 5.3606 5.3606 5.6180 5.6180 5.7882 5.7882 5.8649 5.8649 6.1540 6.1540 6.6143 6.6143 6.7098 6.7098 7.4204 7.4204 7.5670 7.5670 7.8668 7.8668 7.9688 7.9688 9.9991 9.9991 10.4393 10.4393 10.8461 10.8461 11.4215 11.4215 11.5756 11.5756 k = 0.2644 0.4579-0.0000 ( 6092 PWs) bands (ev): -4.5898 -4.5898 -4.5586 -4.5586 -4.2903 -4.2903 -4.2794 -4.2794 -3.4294 -3.4294 -3.4046 -3.4046 3.7950 3.7950 4.0808 4.0808 4.2891 4.2891 4.3345 4.3345 4.5909 4.5909 4.9228 4.9228 5.0666 5.0666 5.3742 5.3742 5.6643 5.6643 5.7446 5.7446 5.9256 5.9256 6.1177 6.1177 6.6262 6.6262 6.7569 6.7569 7.4236 7.4236 7.5334 7.5334 7.8322 7.8322 7.9865 7.9865 10.1013 10.1013 10.4878 10.4878 10.9259 10.9259 11.4326 11.4326 11.5700 11.5700 k = 0.2586 0.4479-0.0000 ( 6084 PWs) bands (ev): -4.6126 -4.6126 -4.5777 -4.5777 -4.2864 -4.2864 -4.2749 -4.2749 -3.4457 -3.4457 -3.4159 -3.4159 3.8239 3.8239 4.0896 4.0896 4.2283 4.2283 4.3052 4.3052 4.6023 4.6023 4.8876 4.8876 5.0945 5.0945 5.3860 5.3860 5.6561 5.6561 5.7543 5.7543 5.9869 5.9869 6.0791 6.0791 6.6359 6.6359 6.8026 6.8026 7.4268 7.4268 7.4969 7.4969 7.7959 7.7959 8.0055 8.0055 10.2084 10.2084 10.5415 10.5415 11.0100 11.0100 11.4430 11.4430 11.5641 11.5641 k = 0.2529 0.4380-0.0000 ( 6090 PWs) bands (ev): -4.6367 -4.6367 -4.5974 -4.5974 -4.2834 -4.2834 -4.2709 -4.2709 -3.4629 -3.4629 -3.4277 -3.4277 3.8581 3.8581 4.0978 4.0978 4.1672 4.1672 4.2786 4.2786 4.6170 4.6170 4.8526 4.8526 5.1240 5.1240 5.3959 5.3959 5.6062 5.6062 5.8055 5.8055 6.0383 6.0383 6.0477 6.0477 6.6432 6.6432 6.8462 6.8462 7.4222 7.4222 7.4661 7.4661 7.7586 7.7586 8.0252 8.0252 10.3191 10.3191 10.6000 10.6000 11.0973 11.0973 11.4522 11.4522 11.5580 11.5580 k = 0.2471 0.4280-0.0000 ( 6092 PWs) bands (ev): -4.6619 -4.6619 -4.6179 -4.6179 -4.2815 -4.2815 -4.2676 -4.2676 -3.4810 -3.4810 -3.4398 -3.4398 3.8974 3.8974 4.1016 4.1016 4.1118 4.1118 4.2534 4.2534 4.6348 4.6348 4.8187 4.8187 5.1542 5.1542 5.4036 5.4036 5.5508 5.5508 5.8623 5.8623 5.9970 5.9970 6.1064 6.1064 6.6480 6.6480 6.8873 6.8873 7.3908 7.3908 7.4604 7.4604 7.7214 7.7214 8.0455 8.0455 10.4316 10.4316 10.6628 10.6628 11.1872 11.1872 11.4602 11.4602 11.5520 11.5520 k = 0.2414 0.4181-0.0000 ( 6084 PWs) bands (ev): -4.6883 -4.6883 -4.6390 -4.6390 -4.2808 -4.2808 -4.2649 -4.2649 -3.4995 -3.4995 -3.4523 -3.4523 3.9416 3.9416 4.0490 4.0490 4.1147 4.1147 4.2295 4.2295 4.6554 4.6554 4.7861 4.7861 5.1850 5.1850 5.4084 5.4084 5.4950 5.4950 5.9201 5.9201 5.9547 5.9547 6.1632 6.1632 6.6498 6.6498 6.9255 6.9255 7.3448 7.3448 7.4685 7.4685 7.6850 7.6850 8.0660 8.0660 10.5440 10.5440 10.7291 10.7291 11.2783 11.2783 11.4667 11.4667 11.5465 11.5465 k = 0.2356 0.4081-0.0000 ( 6084 PWs) bands (ev): -4.7159 -4.7159 -4.6607 -4.6607 -4.2813 -4.2813 -4.2628 -4.2628 -3.5185 -3.5185 -3.4649 -3.4649 3.9897 3.9897 3.9942 3.9942 4.1227 4.1227 4.2071 4.2071 4.6783 4.6783 4.7551 4.7551 5.2160 5.2160 5.4065 5.4065 5.4435 5.4435 5.9122 5.9122 5.9779 5.9779 6.2172 6.2172 6.6484 6.6484 6.9608 6.9608 7.2947 7.2947 7.4808 7.4808 7.6508 7.6508 8.0867 8.0867 10.6538 10.6538 10.7975 10.7975 11.3693 11.3693 11.4717 11.4717 11.5425 11.5425 k = 0.2299 0.3982-0.0000 ( 6088 PWs) bands (ev): -4.7446 -4.7446 -4.6830 -4.6830 -4.2833 -4.2833 -4.2615 -4.2615 -3.5375 -3.5375 -3.4777 -3.4777 3.9414 3.9414 4.0410 4.0410 4.1320 4.1320 4.1872 4.1872 4.7022 4.7022 4.7267 4.7267 5.2472 5.2472 5.3724 5.3724 5.4220 5.4220 5.8703 5.8703 6.0348 6.0348 6.2675 6.2675 6.6434 6.6434 6.9930 6.9930 7.2430 7.2430 7.4956 7.4956 7.6201 7.6201 8.1073 8.1073 10.7578 10.7578 10.8663 10.8663 11.4554 11.4554 11.4772 11.4772 11.5426 11.5426 k = 0.2241 0.3882-0.0000 ( 6092 PWs) bands (ev): -4.7744 -4.7744 -4.7059 -4.7059 -4.2869 -4.2869 -4.2608 -4.2608 -3.5564 -3.5564 -3.4906 -3.4906 3.8916 3.8916 4.0865 4.0865 4.1484 4.1484 4.1719 4.1719 4.6974 4.6974 4.7300 4.7300 5.2781 5.2781 5.3196 5.3196 5.4177 5.4177 5.8297 5.8297 6.0899 6.0899 6.3132 6.3132 6.6343 6.6343 7.0220 7.0220 7.1914 7.1914 7.5125 7.5125 7.5944 7.5944 8.1278 8.1278 10.8525 10.8525 10.9329 10.9329 11.4746 11.4746 11.5242 11.5242 11.5680 11.5680 k = 0.2184 0.3783-0.0000 ( 6086 PWs) bands (ev): -4.8052 -4.8052 -4.7293 -4.7293 -4.2921 -4.2921 -4.2609 -4.2609 -3.5749 -3.5749 -3.5034 -3.5034 3.8448 3.8448 4.1046 4.1046 4.1638 4.1638 4.1914 4.1914 4.6726 4.6726 4.7554 4.7554 5.2633 5.2633 5.3109 5.3109 5.4130 5.4130 5.7916 5.7916 6.1422 6.1422 6.3532 6.3532 6.6209 6.6209 7.0470 7.0470 7.1423 7.1423 7.5312 7.5312 7.5752 7.5752 8.1481 8.1481 10.9345 10.9345 10.9940 10.9940 11.4754 11.4754 11.5398 11.5398 11.6441 11.6441 k = 0.2126 0.3683-0.0000 ( 6086 PWs) bands (ev): -4.8371 -4.8371 -4.7532 -4.7532 -4.2992 -4.2992 -4.2616 -4.2616 -3.5928 -3.5928 -3.5161 -3.5161 3.8010 3.8010 4.0996 4.0996 4.1662 4.1662 4.2536 4.2536 4.6495 4.6495 4.7807 4.7807 5.2099 5.2099 5.3406 5.3406 5.4062 5.4062 5.7575 5.7575 6.1902 6.1902 6.3864 6.3864 6.6032 6.6032 7.0616 7.0616 7.1044 7.1044 7.5504 7.5504 7.5653 7.5653 8.1680 8.1680 11.0011 11.0011 11.0460 11.0460 11.4749 11.4749 11.5555 11.5555 11.7235 11.7235 k = 0.2069 0.3584-0.0000 ( 6082 PWs) bands (ev): -4.8699 -4.8699 -4.7775 -4.7775 -4.3082 -4.3082 -4.2631 -4.2631 -3.6099 -3.6099 -3.5287 -3.5287 3.7605 3.7605 4.0875 4.0875 4.1733 4.1733 4.3241 4.3241 4.6285 4.6285 4.8044 4.8044 5.1572 5.1572 5.3676 5.3676 5.3971 5.3971 5.7301 5.7301 6.2317 6.2317 6.4112 6.4112 6.5817 6.5817 7.0405 7.0405 7.1053 7.1053 7.5582 7.5582 7.5778 7.5778 8.1876 8.1876 11.0511 11.0511 11.0855 11.0855 11.4731 11.4731 11.5808 11.5808 11.7978 11.7978 k = 0.2011 0.3484-0.0000 ( 6080 PWs) bands (ev): -4.9035 -4.9035 -4.8023 -4.8023 -4.3192 -4.3192 -4.2653 -4.2653 -3.6260 -3.6260 -3.5411 -3.5411 3.7232 3.7232 4.0743 4.0743 4.1827 4.1827 4.3993 4.3993 4.6100 4.6100 4.8258 4.8258 5.1061 5.1061 5.3817 5.3817 5.3925 5.3925 5.7134 5.7134 6.2642 6.2642 6.4253 6.4253 6.5580 6.5580 7.0102 7.0102 7.1220 7.1220 7.5657 7.5657 7.6019 7.6019 8.2067 8.2067 11.0852 11.0852 11.1114 11.1114 11.4697 11.4697 11.6172 11.6172 11.8646 11.8646 k = 0.1954 0.3384-0.0000 ( 6086 PWs) bands (ev): -4.9379 -4.9379 -4.8275 -4.8275 -4.3323 -4.3323 -4.2682 -4.2682 -3.6408 -3.6408 -3.5532 -3.5532 3.6893 3.6893 4.0618 4.0618 4.1936 4.1936 4.4765 4.4765 4.5954 4.5954 4.8441 4.8441 5.0570 5.0570 5.3691 5.3691 5.4016 5.4016 5.7124 5.7124 6.2846 6.2846 6.4252 6.4252 6.5359 6.5359 6.9896 6.9896 7.1390 7.1390 7.5822 7.5822 7.6288 7.6288 8.2252 8.2252 11.1042 11.1042 11.1261 11.1261 11.4647 11.4647 11.6628 11.6628 11.9225 11.9225 k = 0.1897 0.3285-0.0000 ( 6088 PWs) bands (ev): -4.9729 -4.9729 -4.8530 -4.8530 -4.3475 -4.3475 -4.2718 -4.2718 -3.6543 -3.6543 -3.5650 -3.5650 3.6590 3.6590 4.0506 4.0506 4.2055 4.2055 4.5418 4.5418 4.5974 4.5974 4.8587 4.8587 5.0107 5.0107 5.3523 5.3523 5.3994 5.3994 5.7306 5.7306 6.2906 6.2906 6.4072 6.4072 6.5192 6.5192 6.9833 6.9833 7.1547 7.1547 7.6076 7.6076 7.6579 7.6579 8.2432 8.2432 11.1091 11.1091 11.1345 11.1345 11.4580 11.4580 11.7135 11.7135 11.9699 11.9699 k = 0.1839 0.3185-0.0000 ( 6088 PWs) bands (ev): -5.0086 -5.0086 -4.8787 -4.8787 -4.3647 -4.3647 -4.2760 -4.2760 -3.6664 -3.6664 -3.5765 -3.5765 3.6321 3.6321 4.0411 4.0411 4.2185 4.2185 4.5510 4.5510 4.6581 4.6581 4.8692 4.8692 4.9690 4.9690 5.3330 5.3330 5.3853 5.3853 5.7671 5.7671 6.2813 6.2813 6.3733 6.3733 6.5068 6.5068 6.9930 6.9930 7.1691 7.1691 7.6409 7.6409 7.6894 7.6894 8.2605 8.2605 11.1030 11.1030 11.1389 11.1389 11.4500 11.4500 11.7648 11.7648 12.0060 12.0060 k = 0.1782 0.3086-0.0000 ( 6080 PWs) bands (ev): -5.0447 -5.0447 -4.9046 -4.9046 -4.3838 -4.3838 -4.2810 -4.2810 -3.6770 -3.6770 -3.5877 -3.5877 3.6089 3.6089 4.0334 4.0334 4.2324 4.2324 4.5425 4.5425 4.7335 4.7335 4.8750 4.8750 4.9378 4.9378 5.3115 5.3115 5.3630 5.3630 5.8181 5.8181 6.2582 6.2582 6.3289 6.3289 6.4943 6.4943 7.0176 7.0176 7.1820 7.1820 7.6809 7.6809 7.7237 7.7237 8.2772 8.2772 11.0904 11.0904 11.1397 11.1397 11.4408 11.4408 11.8132 11.8132 12.0301 12.0301 k = 0.1724 0.2986-0.0000 ( 6088 PWs) bands (ev): -5.0812 -5.0812 -4.9308 -4.9308 -4.4047 -4.4047 -4.2865 -4.2865 -3.6862 -3.6862 -3.5984 -3.5984 3.5894 3.5894 4.0276 4.0276 4.2472 4.2472 4.5333 4.5333 4.7849 4.7849 4.8759 4.8759 4.9385 4.9385 5.2880 5.2880 5.3360 5.3360 5.8799 5.8799 6.2245 6.2245 6.2783 6.2783 6.4790 6.4790 7.0543 7.0543 7.1939 7.1939 7.7250 7.7250 7.7619 7.7619 8.2931 8.2931 11.0738 11.0738 11.1377 11.1377 11.4304 11.4304 11.8558 11.8558 12.0423 12.0423 k = 0.1667 0.2887-0.0000 ( 6090 PWs) bands (ev): -5.1179 -5.1179 -4.9570 -4.9570 -4.4273 -4.4273 -4.2927 -4.2927 -3.6940 -3.6940 -3.6089 -3.6089 3.5736 3.5736 4.0238 4.0238 4.2628 4.2628 4.5252 4.5252 4.7838 4.7838 4.8752 4.8752 4.9942 4.9942 5.2629 5.2629 5.3067 5.3067 5.9490 5.9490 6.1842 6.1842 6.2236 6.2236 6.4598 6.4598 7.0991 7.0991 7.2058 7.2058 7.7701 7.7701 7.8061 7.8061 8.3084 8.3084 11.0550 11.0550 11.1337 11.1337 11.4190 11.4190 11.8911 11.8911 12.0432 12.0432 k = 0.1609 0.2787-0.0000 ( 6090 PWs) bands (ev): -5.1547 -5.1547 -4.9832 -4.9832 -4.4513 -4.4513 -4.2995 -4.2995 -3.7005 -3.7005 -3.6189 -3.6189 3.5616 3.5616 4.0219 4.0219 4.2793 4.2793 4.5186 4.5186 4.7566 4.7566 4.8709 4.8709 5.0798 5.0798 5.2362 5.2362 5.2767 5.2767 6.0195 6.0195 6.1446 6.1446 6.1667 6.1667 6.4366 6.4366 7.1456 7.1456 7.2216 7.2216 7.8136 7.8136 7.8580 7.8580 8.3229 8.3229 11.0353 11.0353 11.1284 11.1284 11.4067 11.4067 11.9184 11.9184 12.0337 12.0337 k = 0.1552 0.2688-0.0000 ( 6076 PWs) bands (ev): -5.1915 -5.1915 -5.0094 -5.0094 -4.4766 -4.4766 -4.3068 -4.3068 -3.7057 -3.7057 -3.6285 -3.6285 3.5534 3.5534 4.0219 4.0219 4.2965 4.2965 4.5135 4.5135 4.7238 4.7238 4.8628 4.8628 5.1739 5.1739 5.2085 5.2085 5.2467 5.2467 6.0539 6.0539 6.1085 6.1085 6.1446 6.1446 6.4097 6.4097 7.1794 7.1794 7.2534 7.2534 7.8558 7.8558 7.9161 7.9161 8.3367 8.3367 11.0154 11.0154 11.1222 11.1222 11.3935 11.3935 11.9376 11.9376 12.0151 12.0151 k = 0.1494 0.2588-0.0000 ( 6066 PWs) bands (ev): -5.2282 -5.2282 -5.0355 -5.0355 -4.5029 -4.5029 -4.3146 -4.3146 -3.7099 -3.7099 -3.6378 -3.6378 3.5490 3.5490 4.0237 4.0237 4.3144 4.3144 4.5099 4.5099 4.6903 4.6903 4.8518 4.8518 5.1800 5.1800 5.2174 5.2174 5.2695 5.2695 6.0204 6.0204 6.0522 6.0522 6.2149 6.2149 6.3803 6.3803 7.1933 7.1933 7.3069 7.3069 7.8981 7.8981 7.9782 7.9782 8.3500 8.3500 10.9962 10.9962 11.1154 11.1154 11.3796 11.3796 11.9492 11.9492 11.9885 11.9885 k = 0.1437 0.2489-0.0000 ( 6082 PWs) bands (ev): -5.2646 -5.2646 -5.0614 -5.0614 -4.5300 -4.5300 -4.3228 -4.3228 -3.7130 -3.7130 -3.6466 -3.6466 3.5485 3.5485 4.0271 4.0271 4.3327 4.3327 4.5079 4.5079 4.6577 4.6577 4.8382 4.8382 5.1510 5.1510 5.1890 5.1890 5.3614 5.3614 5.9719 5.9719 6.0036 6.0036 6.2904 6.2904 6.3592 6.3592 7.1972 7.1972 7.3710 7.3710 7.9411 7.9411 8.0430 8.0430 8.3627 8.3627 10.9782 10.9782 11.1082 11.1082 11.3651 11.3651 11.9538 11.9538 11.9551 11.9551 k = 0.1379 0.2389-0.0000 ( 6076 PWs) bands (ev): -5.3007 -5.3007 -5.0871 -5.0871 -4.5577 -4.5577 -4.3315 -4.3315 -3.7153 -3.7153 -3.6551 -3.6551 3.5517 3.5517 4.0321 4.0321 4.3513 4.3513 4.5075 4.5075 4.6266 4.6266 4.8227 4.8227 5.1218 5.1218 5.1617 5.1617 5.4430 5.4430 5.9167 5.9167 5.9724 5.9724 6.2896 6.2896 6.4165 6.4165 7.1961 7.1961 7.4397 7.4397 7.9851 7.9851 8.1095 8.1095 8.3752 8.3752 10.9617 10.9617 11.1009 11.1009 11.3500 11.3500 11.9151 11.9151 11.9531 11.9531 k = 0.1322 0.2289-0.0000 ( 6076 PWs) bands (ev): -5.3363 -5.3363 -5.1125 -5.1125 -4.5857 -4.5857 -4.3405 -4.3405 -3.7168 -3.7168 -3.6632 -3.6632 3.5588 3.5588 4.0384 4.0384 4.3700 4.3700 4.5085 4.5085 4.5973 4.5973 4.8058 4.8058 5.0928 5.0928 5.1357 5.1357 5.5037 5.5037 5.8589 5.8589 5.9671 5.9671 6.2507 6.2507 6.5123 6.5123 7.1915 7.1915 7.5110 7.5110 8.0298 8.0298 8.1770 8.1770 8.3876 8.3876 10.9471 10.9471 11.0934 11.0934 11.3344 11.3344 11.8701 11.8701 11.9473 11.9473 k = 0.1264 0.2190-0.0000 ( 6069 PWs) bands (ev): -5.3713 -5.3713 -5.1375 -5.1375 -4.6139 -4.6139 -4.3498 -4.3498 -3.7177 -3.7177 -3.6709 -3.6709 3.5697 3.5697 4.0459 4.0459 4.3885 4.3885 4.5109 4.5109 4.5700 4.5700 4.7882 4.7882 5.0643 5.0643 5.1111 5.1111 5.5327 5.5327 5.8011 5.8011 5.9965 5.9965 6.2054 6.2054 6.6143 6.6143 7.1836 7.1836 7.5839 7.5839 8.0752 8.0752 8.2447 8.2447 8.4004 8.4004 10.9348 10.9348 11.0857 11.0857 11.3184 11.3184 11.8207 11.8207 11.9379 11.9379 k = 0.1207 0.2090-0.0000 ( 6065 PWs) bands (ev): -5.4055 -5.4055 -5.1620 -5.1620 -4.6420 -4.6420 -4.3594 -4.3594 -3.7181 -3.7181 -3.6782 -3.6782 3.5843 3.5843 4.0542 4.0542 4.4062 4.4062 4.5140 4.5140 4.5454 4.5454 4.7705 4.7705 5.0367 5.0367 5.0878 5.0878 5.5298 5.5298 5.7441 5.7441 6.0592 6.0592 6.1575 6.1575 6.7195 6.7195 7.1727 7.1727 7.6577 7.6577 8.1210 8.1210 8.3112 8.3112 8.4151 8.4151 10.9250 10.9250 11.0779 11.0779 11.3022 11.3022 11.7674 11.7674 11.9259 11.9259 k = 0.1149 0.1991-0.0000 ( 6057 PWs) bands (ev): -5.4390 -5.4390 -5.1860 -5.1860 -4.6699 -4.6699 -4.3691 -4.3691 -3.7180 -3.7180 -3.6852 -3.6852 3.6027 3.6027 4.0633 4.0633 4.4226 4.4226 4.5125 4.5125 4.5285 4.5285 4.7536 4.7536 5.0104 5.0104 5.0660 5.0660 5.5054 5.5054 5.6884 5.6884 6.0942 6.0942 6.1581 6.1581 6.8269 6.8269 7.1588 7.1588 7.7319 7.7319 8.1666 8.1666 8.3725 8.3725 8.4358 8.4358 10.9179 10.9179 11.0699 11.0699 11.2860 11.2860 11.7110 11.7110 11.9121 11.9121 k = 0.1092 0.1891-0.0000 ( 6057 PWs) bands (ev): -5.4715 -5.4715 -5.2093 -5.2093 -4.6973 -4.6973 -4.3789 -4.3789 -3.7176 -3.7176 -3.6918 -3.6918 3.6247 3.6247 4.0727 4.0727 4.4367 4.4367 4.4960 4.4960 4.5299 4.5299 4.7383 4.7383 4.9859 4.9859 5.0456 5.0456 5.4694 5.4694 5.6343 5.6343 6.0421 6.0421 6.2567 6.2567 6.9357 6.9357 7.1423 7.1423 7.8061 7.8061 8.2116 8.2116 8.4156 8.4156 8.4757 8.4757 10.9135 10.9135 11.0617 11.0617 11.2697 11.2697 11.6523 11.6523 11.8973 11.8973 k = 0.1034 0.1792-0.0000 ( 6075 PWs) bands (ev): -5.5030 -5.5030 -5.2320 -5.2320 -4.7243 -4.7243 -4.3888 -4.3888 -3.7169 -3.7169 -3.6981 -3.6981 3.6504 3.6504 4.0823 4.0823 4.4469 4.4469 4.4785 4.4785 4.5360 4.5360 4.7256 4.7256 4.9639 4.9639 5.0266 5.0266 5.4281 5.4281 5.5820 5.5820 5.9833 5.9833 6.3666 6.3666 7.0440 7.0440 7.1245 7.1245 7.8798 7.8798 8.2548 8.2548 8.4411 8.4411 8.5351 8.5351 10.9120 10.9120 11.0532 11.0532 11.2537 11.2537 11.5916 11.5916 11.8819 11.8819 k = 0.0977 0.1692-0.0000 ( 6075 PWs) bands (ev): -5.5333 -5.5333 -5.2539 -5.2539 -4.7505 -4.7505 -4.3986 -4.3986 -3.7160 -3.7160 -3.7040 -3.7040 3.6795 3.6795 4.0919 4.0919 4.4475 4.4475 4.4681 4.4681 4.5430 4.5430 4.7166 4.7166 4.9448 4.9448 5.0090 5.0090 5.3847 5.3847 5.5318 5.5318 5.9215 5.9215 6.4809 6.4809 7.0950 7.0950 7.1620 7.1620 7.9525 7.9525 8.2952 8.2952 8.4642 8.4642 8.5997 8.5997 10.9133 10.9133 11.0442 11.0442 11.2379 11.2379 11.5297 11.5297 11.8663 11.8663 k = 0.0920 0.1593-0.0000 ( 6071 PWs) bands (ev): -5.5624 -5.5624 -5.2750 -5.2750 -4.7758 -4.7758 -4.4083 -4.4083 -3.7149 -3.7149 -3.7096 -3.7096 3.7122 3.7122 4.1013 4.1013 4.4360 4.4360 4.4669 4.4669 4.5496 4.5496 4.7120 4.7120 4.9296 4.9296 4.9929 4.9929 5.3410 5.3410 5.4837 5.4837 5.8571 5.8571 6.5969 6.5969 7.0732 7.0732 7.2703 7.2703 8.0235 8.0235 8.3316 8.3316 8.4908 8.4908 8.6648 8.6648 10.9174 10.9174 11.0347 11.0347 11.2227 11.2227 11.4670 11.4670 11.8511 11.8516 k = 0.0862 0.1493-0.0000 ( 6077 PWs) bands (ev): -5.5902 -5.5902 -5.2953 -5.2953 -4.8002 -4.8002 -4.4179 -4.4179 -3.7150 -3.7150 -3.7135 -3.7135 3.7482 3.7482 4.1102 4.1102 4.4222 4.4222 4.4651 4.4651 4.5552 4.5552 4.7120 4.7120 4.9189 4.9189 4.9784 4.9784 5.2980 5.2980 5.4380 5.4380 5.7904 5.7904 6.7123 6.7123 7.0480 7.0480 7.3801 7.3801 8.0922 8.0922 8.3635 8.3635 8.5226 8.5226 8.7289 8.7289 10.9241 10.9241 11.0244 11.0244 11.2079 11.2079 11.4040 11.4040 11.7927 11.7927 k = 0.0805 0.1394-0.0000 ( 6085 PWs) bands (ev): -5.6166 -5.6166 -5.3145 -5.3145 -4.8235 -4.8235 -4.4272 -4.4272 -3.7198 -3.7198 -3.7124 -3.7124 3.7874 3.7874 4.1187 4.1187 4.4092 4.4092 4.4598 4.4598 4.5590 4.5590 4.7162 4.7162 4.9134 4.9134 4.9654 4.9654 5.2565 5.2565 5.3946 5.3946 5.7219 5.7219 6.8230 6.8230 7.0244 7.0244 7.4892 7.4892 8.1574 8.1574 8.3918 8.3918 8.5596 8.5596 8.7916 8.7916 10.9333 10.9333 11.0132 11.0132 11.1939 11.1939 11.3412 11.3412 11.7192 11.7192 k = 0.0747 0.1294-0.0000 ( 6091 PWs) bands (ev): -5.6415 -5.6415 -5.3327 -5.3327 -4.8456 -4.8456 -4.4362 -4.4362 -3.7244 -3.7244 -3.7111 -3.7111 3.8298 3.8298 4.1265 4.1265 4.3973 4.3973 4.4514 4.4514 4.5605 4.5605 4.7235 4.7235 4.9135 4.9135 4.9543 4.9543 5.2168 5.2168 5.3537 5.3537 5.6518 5.6518 6.9103 6.9103 7.0205 7.0205 7.5965 7.5965 8.2180 8.2180 8.4189 8.4189 8.6006 8.6006 8.8524 8.8524 10.9446 10.9446 11.0008 11.0008 11.1805 11.1805 11.2792 11.2792 11.6485 11.6485 k = 0.0690 0.1195-0.0000 ( 6091 PWs) bands (ev): -5.6649 -5.6649 -5.3499 -5.3499 -4.8665 -4.8665 -4.4449 -4.4449 -3.7286 -3.7286 -3.7098 -3.7098 3.8752 3.8752 4.1336 4.1336 4.3867 4.3867 4.4408 4.4408 4.5594 4.5594 4.7327 4.7327 4.9192 4.9192 4.9450 4.9450 5.1793 5.1793 5.3153 5.3153 5.5804 5.5804 6.9222 6.9222 7.0879 7.0879 7.7012 7.7012 8.2723 8.2723 8.4475 8.4475 8.6440 8.6440 8.9108 8.9108 10.9574 10.9574 10.9872 10.9872 11.1675 11.1675 11.2187 11.2187 11.5813 11.5813 k = 0.0632 0.1095-0.0000 ( 6099 PWs) bands (ev): -5.6867 -5.6867 -5.3659 -5.3659 -4.8859 -4.8859 -4.4531 -4.4531 -3.7325 -3.7325 -3.7086 -3.7086 3.9235 3.9235 4.1400 4.1400 4.3773 4.3773 4.4289 4.4289 4.5559 4.5559 4.7425 4.7425 4.9301 4.9301 4.9379 4.9379 5.1441 5.1441 5.2794 5.2794 5.5081 5.5081 6.8968 6.8968 7.1876 7.1876 7.8026 7.8026 8.3192 8.3192 8.4797 8.4797 8.6884 8.6884 8.9665 8.9665 10.9664 10.9664 10.9770 10.9770 11.1491 11.1491 11.1662 11.1662 11.5185 11.5185 k = 0.0575 0.0995-0.0000 ( 6107 PWs) bands (ev): -5.7068 -5.7068 -5.3806 -5.3806 -4.9040 -4.9040 -4.4608 -4.4608 -3.7361 -3.7361 -3.7074 -3.7074 3.9745 3.9745 4.1457 4.1457 4.3691 4.3691 4.4166 4.4166 4.5505 4.5505 4.7520 4.7520 4.9327 4.9327 4.9455 4.9455 5.1116 5.1116 5.2458 5.2458 5.4354 5.4354 6.8647 6.8647 7.2886 7.2886 7.8995 7.8995 8.3587 8.3587 8.5161 8.5161 8.7327 8.7327 9.0190 9.0190 10.9515 10.9515 10.9896 10.9896 11.0985 11.0985 11.1489 11.1489 11.4610 11.4610 k = 0.0517 0.0896-0.0000 ( 6115 PWs) bands (ev): -5.7251 -5.7251 -5.3942 -5.3942 -4.9205 -4.9205 -4.4680 -4.4680 -3.7393 -3.7393 -3.7062 -3.7062 4.0280 4.0280 4.1507 4.1507 4.3619 4.3619 4.4044 4.4044 4.5437 4.5437 4.7604 4.7604 4.9301 4.9301 4.9641 4.9641 5.0817 5.0817 5.2140 5.2140 5.3633 5.3633 6.8310 6.8310 7.3853 7.3853 7.9908 7.9908 8.3929 8.3929 8.5550 8.5550 8.7762 8.7762 9.0681 9.0681 10.9314 10.9314 11.0055 11.0055 11.0442 11.0442 11.1390 11.1390 11.4093 11.4093 k = 0.0460 0.0796-0.0000 ( 6107 PWs) bands (ev): -5.7416 -5.7416 -5.4064 -5.4064 -4.9354 -4.9354 -4.4745 -4.4745 -3.7422 -3.7422 -3.7052 -3.7052 4.0838 4.0838 4.1551 4.1551 4.3556 4.3556 4.3929 4.3929 4.5361 4.5361 4.7671 4.7671 4.9296 4.9296 4.9848 4.9848 5.0547 5.0547 5.1828 5.1828 5.2934 5.2934 6.7972 6.7972 7.4751 7.4751 8.0752 8.0752 8.4249 8.4249 8.5938 8.5938 8.8180 8.8180 9.1134 9.1134 10.9087 10.9087 10.9927 10.9927 11.0216 11.0216 11.1307 11.1307 11.3641 11.3641 k = 0.0402 0.0697-0.0000 ( 6099 PWs) bands (ev): -5.7563 -5.7563 -5.4173 -5.4173 -4.9487 -4.9487 -4.4804 -4.4804 -3.7448 -3.7448 -3.7042 -3.7042 4.1416 4.1416 4.1588 4.1588 4.3501 4.3501 4.3823 4.3823 4.5284 4.5284 4.7721 4.7721 4.9309 4.9309 5.0065 5.0065 5.0304 5.0304 5.1481 5.1481 5.2304 5.2304 6.7646 6.7646 7.5567 7.5567 8.1513 8.1513 8.4571 8.4571 8.6300 8.6300 8.8573 8.8573 9.1544 9.1544 10.8837 10.8837 10.9452 10.9452 11.0370 11.0370 11.1237 11.1237 11.3256 11.3256 k = 0.0345 0.0597-0.0000 ( 6097 PWs) bands (ev): -5.7692 -5.7692 -5.4269 -5.4269 -4.9603 -4.9603 -4.4857 -4.4857 -3.7470 -3.7470 -3.7034 -3.7034 4.1619 4.1619 4.2010 4.2010 4.3452 4.3452 4.3730 4.3730 4.5209 4.5209 4.7755 4.7755 4.9335 4.9335 5.0086 5.0086 5.0280 5.0280 5.1017 5.1017 5.1834 5.1834 6.7339 6.7339 7.6286 7.6286 8.2177 8.2177 8.4911 8.4911 8.6620 8.6620 8.8935 8.8935 9.1908 9.1908 10.8572 10.8572 10.9027 10.9027 11.0511 11.0511 11.1181 11.1181 11.2939 11.2939 k = 0.0287 0.0498-0.0000 ( 6105 PWs) bands (ev): -5.7801 -5.7801 -5.4350 -5.4350 -4.9702 -4.9702 -4.4901 -4.4901 -3.7489 -3.7489 -3.7027 -3.7027 4.1644 4.1644 4.2615 4.2615 4.3410 4.3410 4.3653 4.3653 4.5141 4.5141 4.7775 4.7775 4.9362 4.9362 4.9882 4.9882 5.0421 5.0421 5.0504 5.0504 5.1542 5.1542 6.7060 6.7060 7.6898 7.6898 8.2735 8.2735 8.5272 8.5272 8.6882 8.6882 8.9258 8.9258 9.2223 9.2223 10.8299 10.8299 10.8662 10.8662 11.0630 11.0630 11.1140 11.1140 11.2685 11.2685 k = 0.0230 0.0398-0.0000 ( 6111 PWs) bands (ev): -5.7891 -5.7891 -5.4417 -5.4417 -4.9784 -4.9784 -4.4939 -4.4939 -3.7504 -3.7504 -3.7021 -3.7021 4.1665 4.1665 4.3222 4.3222 4.3372 4.3372 4.3592 4.3592 4.5082 4.5082 4.7786 4.7786 4.9340 4.9340 4.9626 4.9626 4.9950 4.9950 5.0665 5.0665 5.1354 5.1354 6.6818 6.6818 7.7399 7.7399 8.3187 8.3187 8.5642 8.5642 8.7080 8.7080 8.9535 8.9535 9.2486 9.2486 10.8034 10.8034 10.8363 10.8363 11.0721 11.0721 11.1118 11.1118 11.2489 11.2489 k = 0.0172 0.0299-0.0000 ( 6115 PWs) bands (ev): -5.7961 -5.7961 -5.4469 -5.4469 -4.9848 -4.9848 -4.4968 -4.4968 -3.7516 -3.7516 -3.7016 -3.7016 4.1680 4.1680 4.3340 4.3340 4.3546 4.3546 4.3815 4.3815 4.5035 4.5035 4.7790 4.7790 4.8946 4.8946 4.9497 4.9497 4.9744 4.9744 5.0808 5.0808 5.1229 5.1229 6.6621 6.6621 7.7785 7.7785 8.3535 8.3535 8.5996 8.5996 8.7209 8.7209 8.9759 8.9759 9.2693 9.2693 10.7801 10.7801 10.8130 10.8130 11.0779 11.0779 11.1116 11.1116 11.2345 11.2345 k = 0.0115 0.0199-0.0000 ( 6111 PWs) bands (ev): -5.8011 -5.8011 -5.4507 -5.4507 -4.9893 -4.9893 -4.4989 -4.4989 -3.7525 -3.7525 -3.7013 -3.7013 4.1691 4.1691 4.3315 4.3315 4.3515 4.3515 4.4358 4.4358 4.5004 4.5004 4.7791 4.7791 4.8393 4.8393 4.9497 4.9497 4.9651 4.9651 5.0903 5.0903 5.1158 5.1158 6.6474 6.6474 7.8057 7.8057 8.3783 8.3783 8.6303 8.6303 8.7271 8.7271 8.9923 8.9923 9.2843 9.2843 10.7620 10.7620 10.7962 10.7962 11.0808 11.0808 11.1128 11.1128 11.2247 11.2247 k = 0.0057 0.0100-0.0000 ( 6109 PWs) bands (ev): -5.8041 -5.8041 -5.4529 -5.4529 -4.9921 -4.9921 -4.5001 -4.5001 -3.7530 -3.7530 -3.7011 -3.7011 4.1697 4.1697 4.3299 4.3299 4.3498 4.3498 4.4769 4.4769 4.5001 4.5001 4.7789 4.7789 4.7948 4.7948 4.9495 4.9495 4.9612 4.9612 5.0941 5.0941 5.1138 5.1138 6.6384 6.6384 7.8219 7.8219 8.3932 8.3932 8.6523 8.6523 8.7283 8.7283 9.0024 9.0024 9.2933 9.2933 10.7506 10.7506 10.7859 10.7859 11.0820 11.0820 11.1142 11.1142 11.2190 11.2190 k = 0.0000 0.0000 0.0000 ( 6109 PWs) bands (ev): -5.8051 -5.8051 -5.4537 -5.4537 -4.9930 -4.9930 -4.5006 -4.5006 -3.7532 -3.7532 -3.7010 -3.7010 4.1699 4.1699 4.3294 4.3294 4.3492 4.3492 4.4893 4.4893 4.5044 4.5044 4.7753 4.7753 4.7802 4.7802 4.9491 4.9491 4.9603 4.9603 5.0946 5.0946 5.1139 5.1139 6.6353 6.6353 7.8272 7.8272 8.3981 8.3981 8.6606 8.6606 8.7278 8.7278 9.0057 9.0057 9.2964 9.2964 10.7467 10.7467 10.7824 10.7824 11.0822 11.0822 11.1148 11.1148 11.2172 11.2172 k = 0.0000 0.0000 0.0000 ( 6109 PWs) bands (ev): -5.8051 -5.8051 -5.4537 -5.4537 -4.9930 -4.9930 -4.5006 -4.5006 -3.7532 -3.7532 -3.7010 -3.7010 4.1699 4.1699 4.3294 4.3294 4.3492 4.3492 4.4893 4.4893 4.5044 4.5044 4.7753 4.7753 4.7802 4.7802 4.9491 4.9491 4.9603 4.9603 5.0946 5.0946 5.1139 5.1139 6.6353 6.6353 7.8272 7.8272 8.3981 8.3981 8.6606 8.6606 8.7278 8.7278 9.0057 9.0057 9.2964 9.2964 10.7467 10.7467 10.7824 10.7824 11.0822 11.0822 11.1148 11.1148 11.2172 11.2172 k = 0.0000 0.0000 0.0115 ( 6110 PWs) bands (ev): -5.8041 -5.8041 -5.4566 -5.4566 -4.9895 -4.9895 -4.5023 -4.5023 -3.7528 -3.7528 -3.7012 -3.7012 4.1707 4.1707 4.3299 4.3299 4.3498 4.3498 4.4884 4.4884 4.5035 4.5035 4.7187 4.7187 4.8399 4.8399 4.9499 4.9499 4.9617 4.9617 5.0941 5.0941 5.1134 5.1134 6.6238 6.6238 7.8384 7.8384 8.3993 8.3993 8.6619 8.6619 8.7264 8.7264 9.0041 9.0041 9.2914 9.2914 10.7480 10.7480 10.7836 10.7836 11.0806 11.0806 11.1131 11.1131 11.2180 11.2180 k = 0.0000 0.0000 0.0230 ( 6104 PWs) bands (ev): -5.8012 -5.8012 -5.4651 -5.4651 -4.9794 -4.9794 -4.5073 -4.5073 -3.7519 -3.7519 -3.7016 -3.7016 4.1728 4.1728 4.3316 4.3316 4.3514 4.3514 4.4854 4.4854 4.5009 4.5009 4.6633 4.6633 4.9035 4.9035 4.9524 4.9524 4.9672 4.9672 5.0926 5.0926 5.1118 5.1118 6.5905 6.5905 7.8705 7.8705 8.4026 8.4026 8.6659 8.6659 8.7224 8.7224 8.9990 8.9990 9.2765 9.2765 10.7517 10.7517 10.7873 10.7873 11.0759 11.0759 11.1080 11.1080 11.2204 11.2204 k = 0.0000 0.0000 0.0346 ( 6104 PWs) bands (ev): -5.7963 -5.7963 -5.4785 -5.4785 -4.9635 -4.9635 -4.5156 -4.5156 -3.7503 -3.7503 -3.7024 -3.7024 4.1764 4.1764 4.3343 4.3343 4.3540 4.3540 4.4805 4.4805 4.4966 4.4966 4.6115 4.6115 4.9527 4.9527 4.9564 4.9564 4.9924 4.9924 5.0902 5.0902 5.1092 5.1092 6.5387 6.5387 7.9202 7.9202 8.4082 8.4082 8.6723 8.6723 8.7158 8.7158 8.9908 8.9908 9.2520 9.2520 10.7579 10.7579 10.7933 10.7933 11.0680 11.0680 11.0997 11.0997 11.2246 11.2246 k = 0.0000 0.0000 0.0461 ( 6104 PWs) bands (ev): -5.7896 -5.7896 -5.4956 -5.4956 -4.9427 -4.9427 -4.5271 -4.5271 -3.7482 -3.7482 -3.7034 -3.7034 4.1815 4.1815 4.3381 4.3381 4.3576 4.3576 4.4737 4.4737 4.4909 4.4909 4.5636 4.5636 4.9619 4.9619 4.9672 4.9672 5.0573 5.0573 5.0868 5.0868 5.1055 5.1055 6.4724 6.4724 7.9834 7.9834 8.4158 8.4158 8.6813 8.6813 8.7069 8.7069 8.9796 8.9796 9.2183 9.2183 10.7664 10.7664 10.8017 10.8017 11.0572 11.0572 11.0885 11.0885 11.2305 11.2305 k = 0.0000 0.0000 0.0576 ( 6092 PWs) bands (ev): -5.7809 -5.7809 -5.5155 -5.5155 -4.9183 -4.9183 -4.5416 -4.5416 -3.7456 -3.7456 -3.7048 -3.7048 4.1881 4.1881 4.3430 4.3430 4.3623 4.3623 4.4645 4.4645 4.4839 4.4839 4.5202 4.5202 4.9685 4.9685 4.9761 4.9761 5.0825 5.0825 5.1008 5.1008 5.1324 5.1324 6.3955 6.3955 8.0561 8.0561 8.4254 8.4254 8.6927 8.6927 8.6961 8.6961 8.9657 8.9657 9.1761 9.1761 10.7773 10.7773 10.8123 10.8123 11.0436 11.0436 11.0746 11.0746 11.2383 11.2383 k = 0.0000 0.0000 0.0691 ( 6104 PWs) bands (ev): -5.7704 -5.7704 -5.5372 -5.5372 -4.8911 -4.8911 -4.5590 -4.5590 -3.7427 -3.7427 -3.7064 -3.7064 4.1964 4.1964 4.3488 4.3488 4.3679 4.3679 4.4508 4.4508 4.4758 4.4758 4.4836 4.4836 4.9761 4.9761 4.9849 4.9849 5.0773 5.0773 5.0952 5.0952 5.2119 5.2119 6.3110 6.3110 8.1351 8.1351 8.4367 8.4367 8.6839 8.6839 8.7062 8.7062 8.9493 8.9493 9.1261 9.1261 10.7902 10.7902 10.8249 10.8249 11.0275 11.0275 11.0584 11.0584 11.2480 11.2480 k = 0.0000 0.0000 0.0806 ( 6110 PWs) bands (ev): -5.7581 -5.7581 -5.5600 -5.5600 -4.8621 -4.8621 -4.5789 -4.5789 -3.7394 -3.7394 -3.7084 -3.7084 4.2065 4.2065 4.3556 4.3556 4.3743 4.3743 4.4265 4.4265 4.4601 4.4601 4.4669 4.4669 4.9846 4.9846 4.9944 4.9944 5.0713 5.0713 5.0887 5.0887 5.2946 5.2946 6.2213 6.2213 8.2173 8.2173 8.4495 8.4495 8.6711 8.6711 8.7219 8.7219 8.9310 8.9310 9.0691 9.0691 10.8052 10.8052 10.8396 10.8396 11.0093 11.0093 11.0402 11.0402 11.2596 11.2596 k = 0.0000 0.0000 0.0922 ( 6122 PWs) bands (ev): -5.7441 -5.7441 -5.5832 -5.5832 -4.8318 -4.8318 -4.6012 -4.6012 -3.7360 -3.7360 -3.7106 -3.7106 4.2185 4.2185 4.3633 4.3633 4.3816 4.3816 4.3955 4.3955 4.4459 4.4459 4.4574 4.4574 4.9935 4.9935 5.0043 5.0043 5.0645 5.0645 5.0814 5.0814 5.3803 5.3803 6.1283 6.1283 8.2999 8.2999 8.4632 8.4632 8.6590 8.6590 8.7393 8.7393 8.9109 8.9109 9.0061 9.0061 10.8220 10.8220 10.8560 10.8560 10.9895 10.9895 11.0206 11.0206 11.2729 11.2729 k = 0.0000 0.0000 0.1037 ( 6128 PWs) bands (ev): -5.7284 -5.7284 -5.6064 -5.6064 -4.8009 -4.8009 -4.6256 -4.6256 -3.7325 -3.7325 -3.7132 -3.7132 4.2324 4.2324 4.3649 4.3649 4.3717 4.3717 4.3896 4.3896 4.4340 4.4340 4.4474 4.4474 5.0029 5.0029 5.0145 5.0145 5.0570 5.0570 5.0732 5.0732 5.4687 5.4687 6.0334 6.0334 8.3789 8.3789 8.4775 8.4775 8.6504 8.6504 8.7584 8.7584 8.8897 8.8897 8.9382 8.9382 10.8404 10.8404 10.8740 10.8740 10.9685 10.9685 10.9998 10.9998 11.2879 11.2879 k = 0.0000 0.0000 0.1152 ( 6152 PWs) bands (ev): -5.7112 -5.7112 -5.6292 -5.6292 -4.7699 -4.7699 -4.6519 -4.6519 -3.7290 -3.7290 -3.7159 -3.7159 4.2485 4.2485 4.3365 4.3365 4.3809 4.3809 4.3983 4.3983 4.4227 4.4227 4.4373 4.4373 5.0124 5.0124 5.0248 5.0248 5.0489 5.0489 5.0645 5.0645 5.5593 5.5593 5.9375 5.9375 8.4472 8.4472 8.4911 8.4911 8.6519 8.6519 8.7788 8.7788 8.8671 8.8671 8.8675 8.8675 10.8602 10.8602 10.8934 10.8934 10.9467 10.9467 10.9783 10.9783 11.3046 11.3046 k = 0.0000 0.0000 0.1267 ( 6140 PWs) bands (ev): -5.6925 -5.6925 -5.6513 -5.6513 -4.7391 -4.7391 -4.6798 -4.6798 -3.7255 -3.7255 -3.7189 -3.7189 4.2668 4.2668 4.3107 4.3107 4.3907 4.3907 4.4076 4.4076 4.4117 4.4117 4.4272 4.4272 5.0219 5.0219 5.0352 5.0352 5.0403 5.0403 5.0551 5.0551 5.6520 5.6520 5.8415 5.8415 8.4915 8.4915 8.5021 8.5021 8.6758 8.6758 8.7952 8.7952 8.8003 8.8003 8.8450 8.8450 10.8810 10.8810 10.9138 10.9138 10.9246 10.9246 10.9566 10.9566 11.3228 11.3228 k = 0.0000 0.0000 0.1382 ( 6128 PWs) bands (ev): -5.6725 -5.6725 -5.6725 -5.6725 -4.7089 -4.7089 -4.7089 -4.7089 -3.7221 -3.7221 -3.7221 -3.7221 4.2875 4.2875 4.2875 4.2875 4.4009 4.4009 4.4009 4.4009 4.4172 4.4172 4.4172 4.4172 5.0312 5.0312 5.0312 5.0312 5.0453 5.0453 5.0453 5.0453 5.7462 5.7462 5.7462 5.7462 8.5059 8.5059 8.5059 8.5059 8.7277 8.7277 8.7277 8.7277 8.8225 8.8225 8.8225 8.8225 10.9026 10.9026 10.9026 10.9026 10.9350 10.9350 10.9350 10.9350 11.3424 11.3424 k = 0.0000 0.0000 0.1382 ( 6128 PWs) bands (ev): -5.6725 -5.6725 -5.6725 -5.6725 -4.7089 -4.7089 -4.7089 -4.7089 -3.7221 -3.7221 -3.7221 -3.7221 4.2875 4.2875 4.2875 4.2875 4.4009 4.4009 4.4009 4.4009 4.4172 4.4172 4.4172 4.4172 5.0312 5.0312 5.0312 5.0312 5.0453 5.0453 5.0453 5.0453 5.7462 5.7462 5.7462 5.7462 8.5059 8.5059 8.5059 8.5059 8.7277 8.7277 8.7277 8.7277 8.8225 8.8225 8.8225 8.8225 10.9026 10.9026 10.9026 10.9026 10.9350 10.9350 10.9350 10.9350 11.3424 11.3424 k = 0.0100 0.0058 0.1382 ( 6134 PWs) bands (ev): -5.6715 -5.6715 -5.6715 -5.6715 -4.7083 -4.7083 -4.7083 -4.7083 -3.7221 -3.7221 -3.7221 -3.7221 4.2811 4.2811 4.2811 4.2811 4.4035 4.4035 4.4035 4.4035 4.4209 4.4209 4.4209 4.4209 5.0302 5.0302 5.0302 5.0302 5.0450 5.0450 5.0450 5.0450 5.7505 5.7505 5.7505 5.7505 8.4977 8.4977 8.4977 8.4977 8.7223 8.7223 8.7223 8.7223 8.8236 8.8236 8.8236 8.8236 10.9050 10.9050 10.9050 10.9050 10.9371 10.9371 10.9371 10.9371 11.3452 11.3452 k = 0.0200 0.0115 0.1382 ( 6132 PWs) bands (ev): -5.6687 -5.6687 -5.6687 -5.6687 -4.7064 -4.7064 -4.7064 -4.7064 -3.7220 -3.7220 -3.7220 -3.7220 4.2645 4.2645 4.2645 4.2645 4.4082 4.4082 4.4082 4.4082 4.4322 4.4322 4.4322 4.4322 5.0241 5.0241 5.0241 5.0241 5.0473 5.0473 5.0473 5.0473 5.7632 5.7632 5.7632 5.7632 8.4735 8.4735 8.4735 8.4735 8.7079 8.7079 8.7079 8.7079 8.8257 8.8257 8.8257 8.8257 10.9119 10.9119 10.9119 10.9119 10.9434 10.9434 10.9434 10.9434 11.3537 11.3537 k = 0.0300 0.0173 0.1382 ( 6132 PWs) bands (ev): -5.6640 -5.6640 -5.6640 -5.6640 -4.7032 -4.7032 -4.7032 -4.7032 -3.7218 -3.7218 -3.7218 -3.7218 4.2418 4.2418 4.2418 4.2418 4.4134 4.4134 4.4134 4.4134 4.4489 4.4489 4.4489 4.4489 5.0113 5.0113 5.0113 5.0113 5.0546 5.0546 5.0546 5.0546 5.7835 5.7835 5.7835 5.7835 8.4336 8.4336 8.4336 8.4336 8.6872 8.6872 8.6872 8.6872 8.8263 8.8263 8.8263 8.8263 10.9228 10.9228 10.9228 10.9228 10.9539 10.9539 10.9539 10.9539 11.3674 11.3674 k = 0.0400 0.0231 0.1382 ( 6126 PWs) bands (ev): -5.6574 -5.6574 -5.6574 -5.6574 -4.6988 -4.6988 -4.6988 -4.6988 -3.7216 -3.7216 -3.7216 -3.7216 4.2155 4.2155 4.2155 4.2155 4.4196 4.4196 4.4196 4.4196 4.4679 4.4679 4.4679 4.4679 4.9938 4.9938 4.9938 4.9938 5.0659 5.0659 5.0659 5.0659 5.8103 5.8103 5.8103 5.8103 8.3791 8.3791 8.3791 8.3791 8.6622 8.6622 8.6622 8.6622 8.8240 8.8240 8.8240 8.8240 10.9366 10.9366 10.9366 10.9366 10.9684 10.9684 10.9684 10.9684 11.3858 11.3858 k = 0.0500 0.0289 0.1382 ( 6118 PWs) bands (ev): -5.6490 -5.6490 -5.6490 -5.6490 -4.6931 -4.6931 -4.6931 -4.6931 -3.7213 -3.7213 -3.7213 -3.7213 4.1870 4.1870 4.1870 4.1870 4.4272 4.4272 4.4272 4.4272 4.4878 4.4878 4.4878 4.4878 4.9729 4.9729 4.9729 4.9729 5.0807 5.0807 5.0807 5.0807 5.8423 5.8423 5.8423 5.8423 8.3117 8.3117 8.3117 8.3117 8.6338 8.6338 8.6338 8.6338 8.8181 8.8181 8.8181 8.8181 10.9524 10.9524 10.9524 10.9524 10.9865 10.9865 10.9865 10.9865 11.4081 11.4081 k = 0.0600 0.0346 0.1382 ( 6114 PWs) bands (ev): -5.6388 -5.6388 -5.6388 -5.6388 -4.6863 -4.6863 -4.6863 -4.6863 -3.7210 -3.7210 -3.7210 -3.7210 4.1571 4.1571 4.1571 4.1571 4.4363 4.4363 4.4363 4.4363 4.5077 4.5077 4.5077 4.5077 4.9499 4.9499 4.9499 4.9499 5.0990 5.0990 5.0990 5.0990 5.8784 5.8784 5.8784 5.8784 8.2330 8.2330 8.2330 8.2330 8.6022 8.6022 8.6022 8.6022 8.8085 8.8085 8.8085 8.8085 10.9694 10.9694 10.9694 10.9694 11.0077 11.0077 11.0077 11.0077 11.4335 11.4335 k = 0.0700 0.0404 0.1382 ( 6114 PWs) bands (ev): -5.6268 -5.6268 -5.6268 -5.6268 -4.6782 -4.6782 -4.6782 -4.6782 -3.7205 -3.7205 -3.7205 -3.7205 4.1262 4.1262 4.1262 4.1262 4.4469 4.4469 4.4469 4.4469 4.5272 4.5272 4.5272 4.5272 4.9257 4.9257 4.9257 4.9257 5.1205 5.1205 5.1205 5.1205 5.9173 5.9173 5.9173 5.9173 8.1451 8.1451 8.1451 8.1451 8.5677 8.5677 8.5677 8.5677 8.7953 8.7953 8.7953 8.7953 10.9872 10.9872 10.9872 10.9872 11.0312 11.0312 11.0312 11.0312 11.4615 11.4615 k = 0.0800 0.0462 0.1382 ( 6122 PWs) bands (ev): -5.6131 -5.6131 -5.6131 -5.6131 -4.6691 -4.6691 -4.6691 -4.6691 -3.7200 -3.7200 -3.7200 -3.7200 4.0948 4.0948 4.0948 4.0948 4.4590 4.4590 4.4590 4.4590 4.5462 4.5462 4.5462 4.5462 4.9013 4.9013 4.9013 4.9013 5.1453 5.1453 5.1453 5.1453 5.9582 5.9582 5.9582 5.9582 8.0498 8.0498 8.0498 8.0498 8.5306 8.5306 8.5306 8.5306 8.7784 8.7784 8.7784 8.7784 11.0051 11.0051 11.0051 11.0051 11.0562 11.0562 11.0562 11.0562 11.4913 11.4913 k = 0.0900 0.0520 0.1382 ( 6122 PWs) bands (ev): -5.5976 -5.5976 -5.5976 -5.5976 -4.6588 -4.6588 -4.6588 -4.6588 -3.7194 -3.7194 -3.7194 -3.7194 4.0632 4.0632 4.0632 4.0632 4.4726 4.4726 4.4726 4.4726 4.5643 4.5643 4.5643 4.5643 4.8773 4.8773 4.8773 4.8773 5.1732 5.1732 5.1732 5.1732 5.9999 5.9999 5.9999 5.9999 7.9487 7.9487 7.9487 7.9487 8.4910 8.4910 8.4910 8.4910 8.7581 8.7581 8.7581 8.7581 11.0228 11.0228 11.0228 11.0228 11.0822 11.0822 11.0822 11.0822 11.5226 11.5226 k = 0.1000 0.0577 0.1382 ( 6126 PWs) bands (ev): -5.5805 -5.5805 -5.5805 -5.5805 -4.6476 -4.6476 -4.6476 -4.6476 -3.7187 -3.7187 -3.7187 -3.7187 4.0316 4.0316 4.0316 4.0316 4.4876 4.4876 4.4876 4.4876 4.5811 4.5811 4.5811 4.5811 4.8546 4.8546 4.8546 4.8546 5.2042 5.2042 5.2042 5.2042 6.0415 6.0415 6.0415 6.0415 7.8436 7.8436 7.8436 7.8436 8.4492 8.4492 8.4492 8.4492 8.7345 8.7345 8.7345 8.7345 11.0397 11.0397 11.0397 11.0397 11.1088 11.1088 11.1088 11.1088 11.5551 11.5551 k = 0.1100 0.0635 0.1382 ( 6130 PWs) bands (ev): -5.5618 -5.5618 -5.5618 -5.5618 -4.6353 -4.6353 -4.6353 -4.6353 -3.7179 -3.7179 -3.7179 -3.7179 4.0002 4.0002 4.0002 4.0002 4.5040 4.5040 4.5040 4.5040 4.5962 4.5962 4.5962 4.5962 4.8342 4.8342 4.8342 4.8342 5.2382 5.2382 5.2382 5.2382 6.0821 6.0821 6.0821 6.0821 7.7359 7.7359 7.7359 7.7359 8.4056 8.4056 8.4056 8.4056 8.7078 8.7078 8.7078 8.7078 11.0554 11.0554 11.0554 11.0554 11.1358 11.1358 11.1358 11.1358 11.5886 11.5886 k = 0.1200 0.0693 0.1382 ( 6128 PWs) bands (ev): -5.5416 -5.5416 -5.5416 -5.5416 -4.6222 -4.6222 -4.6222 -4.6222 -3.7170 -3.7170 -3.7170 -3.7170 3.9694 3.9694 3.9694 3.9694 4.5218 4.5218 4.5218 4.5218 4.6086 4.6086 4.6086 4.6086 4.8173 4.8173 4.8173 4.8173 5.2751 5.2751 5.2751 5.2751 6.1205 6.1205 6.1205 6.1205 7.6273 7.6273 7.6273 7.6273 8.3605 8.3605 8.3605 8.3605 8.6780 8.6780 8.6780 8.6780 11.0697 11.0697 11.0697 11.0697 11.1629 11.1629 11.1629 11.1629 11.6230 11.6230 k = 0.1300 0.0751 0.1382 ( 6118 PWs) bands (ev): -5.5199 -5.5199 -5.5199 -5.5199 -4.6082 -4.6082 -4.6082 -4.6082 -3.7160 -3.7160 -3.7160 -3.7160 3.9393 3.9393 3.9393 3.9393 4.5407 4.5407 4.5407 4.5407 4.6172 4.6172 4.6172 4.6172 4.8053 4.8053 4.8053 4.8053 5.3149 5.3149 5.3149 5.3149 6.1556 6.1556 6.1556 6.1556 7.5195 7.5195 7.5195 7.5195 8.3143 8.3143 8.3143 8.3143 8.6452 8.6452 8.6452 8.6452 11.0822 11.0822 11.0822 11.0822 11.1902 11.1902 11.1902 11.1902 11.6582 11.6582 k = 0.1400 0.0808 0.1382 ( 6118 PWs) bands (ev): -5.4968 -5.4968 -5.4968 -5.4968 -4.5934 -4.5934 -4.5934 -4.5934 -3.7148 -3.7148 -3.7148 -3.7148 3.9102 3.9102 3.9102 3.9102 4.5604 4.5604 4.5604 4.5604 4.6211 4.6211 4.6211 4.6211 4.7996 4.7996 4.7996 4.7996 5.3574 5.3574 5.3574 5.3574 6.1859 6.1859 6.1859 6.1859 7.4144 7.4144 7.4144 7.4144 8.2672 8.2672 8.2672 8.2672 8.6098 8.6098 8.6098 8.6098 11.0929 11.0929 11.0929 11.0929 11.2179 11.2179 11.2179 11.2179 11.6940 11.6940 k = 0.1500 0.0866 0.1382 ( 6106 PWs) bands (ev): -5.4724 -5.4724 -5.4724 -5.4724 -4.5780 -4.5780 -4.5780 -4.5780 -3.7134 -3.7134 -3.7134 -3.7134 3.8822 3.8822 3.8822 3.8822 4.5799 4.5799 4.5799 4.5799 4.6208 4.6208 4.6208 4.6208 4.8010 4.8010 4.8010 4.8010 5.4027 5.4027 5.4027 5.4027 6.2096 6.2096 6.2096 6.2096 7.3142 7.3142 7.3142 7.3142 8.2195 8.2195 8.2195 8.2195 8.5717 8.5717 8.5717 8.5717 11.1017 11.1017 11.1017 11.1017 11.2460 11.2460 11.2460 11.2460 11.7302 11.7302 k = 0.1600 0.0924 0.1382 ( 6094 PWs) bands (ev): -5.4467 -5.4467 -5.4467 -5.4467 -4.5620 -4.5620 -4.5620 -4.5620 -3.7118 -3.7118 -3.7118 -3.7118 3.8554 3.8554 3.8554 3.8554 4.5935 4.5935 4.5935 4.5935 4.6225 4.6225 4.6225 4.6225 4.8088 4.8088 4.8088 4.8088 5.4505 5.4505 5.4505 5.4505 6.2243 6.2243 6.2243 6.2243 7.2216 7.2216 7.2216 7.2216 8.1715 8.1715 8.1715 8.1715 8.5313 8.5313 8.5313 8.5313 11.1087 11.1087 11.1087 11.1087 11.2747 11.2747 11.2747 11.2747 11.7666 11.7666 k = 0.1700 0.0981 0.1382 ( 6088 PWs) bands (ev): -5.4200 -5.4200 -5.4200 -5.4200 -4.5455 -4.5455 -4.5455 -4.5455 -3.7100 -3.7100 -3.7100 -3.7100 3.8300 3.8300 3.8300 3.8300 4.5907 4.5907 4.5907 4.5907 4.6380 4.6380 4.6380 4.6380 4.8217 4.8217 4.8217 4.8217 5.5007 5.5007 5.5007 5.5007 6.2275 6.2275 6.2275 6.2275 7.1396 7.1396 7.1396 7.1396 8.1236 8.1236 8.1236 8.1236 8.4887 8.4887 8.4887 8.4887 11.1139 11.1139 11.1139 11.1139 11.3042 11.3042 11.3042 11.3042 11.8028 11.8028 k = 0.1800 0.1039 0.1382 ( 6092 PWs) bands (ev): -5.3921 -5.3921 -5.3921 -5.3921 -4.5286 -4.5286 -4.5286 -4.5286 -3.7079 -3.7079 -3.7079 -3.7079 3.8061 3.8061 3.8061 3.8061 4.5795 4.5795 4.5795 4.5795 4.6608 4.6608 4.6608 4.6608 4.8383 4.8383 4.8383 4.8383 5.5533 5.5533 5.5533 5.5533 6.2164 6.2164 6.2164 6.2164 7.0712 7.0712 7.0712 7.0712 8.0758 8.0758 8.0758 8.0758 8.4443 8.4443 8.4443 8.4443 11.1176 11.1176 11.1176 11.1176 11.3348 11.3348 11.3348 11.3348 11.8385 11.8385 k = 0.1900 0.1097 0.1382 ( 6098 PWs) bands (ev): -5.3633 -5.3633 -5.3633 -5.3633 -4.5114 -4.5114 -4.5114 -4.5114 -3.7055 -3.7055 -3.7055 -3.7055 3.7838 3.7838 3.7838 3.7838 4.5657 4.5657 4.5657 4.5657 4.6860 4.6860 4.6860 4.6860 4.8574 4.8574 4.8574 4.8574 5.6081 5.6081 5.6081 5.6081 6.1892 6.1892 6.1892 6.1892 7.0186 7.0186 7.0186 7.0186 8.0285 8.0285 8.0285 8.0285 8.3983 8.3983 8.3983 8.3983 11.1199 11.1199 11.1199 11.1199 11.3663 11.3663 11.3663 11.3663 11.8734 11.8734 k = 0.2000 0.1155 0.1382 ( 6094 PWs) bands (ev): -5.3337 -5.3337 -5.3337 -5.3337 -4.4941 -4.4941 -4.4941 -4.4941 -3.7028 -3.7028 -3.7028 -3.7028 3.7631 3.7631 3.7631 3.7631 4.5512 4.5512 4.5512 4.5512 4.7123 4.7123 4.7123 4.7123 4.8782 4.8782 4.8782 4.8782 5.6650 5.6650 5.6650 5.6650 6.1458 6.1458 6.1458 6.1458 6.9823 6.9823 6.9823 6.9823 7.9818 7.9818 7.9818 7.9818 8.3510 8.3510 8.3510 8.3510 11.1211 11.1211 11.1211 11.1211 11.3990 11.3990 11.3990 11.3990 11.9073 11.9073 k = 0.2100 0.1212 0.1382 ( 6090 PWs) bands (ev): -5.3034 -5.3034 -5.3034 -5.3034 -4.4766 -4.4766 -4.4766 -4.4766 -3.6997 -3.6997 -3.6997 -3.6997 3.7440 3.7440 3.7440 3.7440 4.5366 4.5366 4.5366 4.5366 4.7396 4.7396 4.7396 4.7396 4.9001 4.9001 4.9001 4.9001 5.7238 5.7238 5.7238 5.7238 6.0882 6.0882 6.0882 6.0882 6.9607 6.9607 6.9607 6.9607 7.9360 7.9360 7.9360 7.9360 8.3029 8.3029 8.3029 8.3029 11.1216 11.1216 11.1216 11.1216 11.4328 11.4328 11.4328 11.4328 11.9400 11.9400 k = 0.2200 0.1270 0.1382 ( 6084 PWs) bands (ev): -5.2724 -5.2724 -5.2724 -5.2724 -4.4593 -4.4593 -4.4593 -4.4593 -3.6961 -3.6961 -3.6961 -3.6961 3.7265 3.7265 3.7265 3.7265 4.5222 4.5222 4.5222 4.5222 4.7675 4.7675 4.7675 4.7675 4.9227 4.9227 4.9227 4.9227 5.7843 5.7843 5.7843 5.7843 6.0201 6.0201 6.0201 6.0201 6.9506 6.9506 6.9506 6.9506 7.8911 7.8911 7.8911 7.8911 8.2542 8.2542 8.2542 8.2542 11.1214 11.1214 11.1214 11.1214 11.4674 11.4674 11.4674 11.4674 11.9712 11.9712 k = 0.2300 0.1328 0.1382 ( 6072 PWs) bands (ev): -5.2409 -5.2409 -5.2409 -5.2409 -4.4421 -4.4421 -4.4421 -4.4421 -3.6921 -3.6921 -3.6921 -3.6921 3.7105 3.7105 3.7105 3.7105 4.5082 4.5082 4.5082 4.5082 4.7959 4.7959 4.7959 4.7959 4.9455 4.9455 4.9455 4.9455 5.8455 5.8455 5.8455 5.8455 5.9460 5.9460 5.9460 5.9460 6.9487 6.9487 6.9487 6.9487 7.8474 7.8474 7.8474 7.8474 8.2056 8.2056 8.2056 8.2056 11.1210 11.1210 11.1210 11.1210 11.5028 11.5028 11.5028 11.5028 12.0007 12.0007 k = 0.2400 0.1386 0.1382 ( 6060 PWs) bands (ev): -5.2090 -5.2090 -5.2090 -5.2090 -4.4253 -4.4253 -4.4253 -4.4253 -3.6875 -3.6875 -3.6875 -3.6875 3.6960 3.6960 3.6960 3.6960 4.4947 4.4947 4.4947 4.4947 4.8246 4.8246 4.8246 4.8246 4.9680 4.9680 4.9680 4.9680 5.8616 5.8616 5.8616 5.8616 5.9153 5.9153 5.9153 5.9153 6.9519 6.9519 6.9519 6.9519 7.8049 7.8049 7.8049 7.8049 8.1574 8.1574 8.1574 8.1574 11.1204 11.1204 11.1204 11.1204 11.5384 11.5384 11.5384 11.5384 12.0285 12.0285 k = 0.2500 0.1443 0.1382 ( 6058 PWs) bands (ev): -5.1769 -5.1769 -5.1769 -5.1769 -4.4088 -4.4088 -4.4088 -4.4088 -3.6822 -3.6822 -3.6822 -3.6822 3.6828 3.6828 3.6828 3.6828 4.4815 4.4815 4.4815 4.4815 4.8536 4.8536 4.8536 4.8536 4.9896 4.9896 4.9896 4.9896 5.7862 5.7862 5.7862 5.7862 5.9775 5.9775 5.9775 5.9775 6.9578 6.9578 6.9578 6.9578 7.7639 7.7639 7.7639 7.7639 8.1102 8.1102 8.1102 8.1102 11.1200 11.1200 11.1200 11.1200 11.5740 11.5740 11.5740 11.5740 12.0545 12.0545 k = 0.2600 0.1501 0.1382 ( 6060 PWs) bands (ev): -5.1446 -5.1446 -5.1446 -5.1446 -4.3930 -4.3930 -4.3930 -4.3930 -3.6763 -3.6763 -3.6763 -3.6763 3.6706 3.6706 3.6706 3.6706 4.4688 4.4688 4.4688 4.4688 4.8826 4.8826 4.8826 4.8826 5.0096 5.0096 5.0096 5.0096 5.7111 5.7111 5.7111 5.7111 6.0432 6.0432 6.0432 6.0432 6.9646 6.9646 6.9646 6.9646 7.7245 7.7245 7.7245 7.7245 8.0644 8.0644 8.0644 8.0644 11.1200 11.1200 11.1200 11.1200 11.6090 11.6090 11.6090 11.6090 12.0786 12.0786 k = 0.2700 0.1559 0.1382 ( 6066 PWs) bands (ev): -5.1123 -5.1123 -5.1123 -5.1123 -4.3778 -4.3778 -4.3778 -4.3778 -3.6698 -3.6698 -3.6698 -3.6698 3.6592 3.6592 3.6592 3.6592 4.4563 4.4563 4.4563 4.4563 4.9115 4.9115 4.9115 4.9115 5.0268 5.0268 5.0268 5.0268 5.6411 5.6411 5.6411 5.6411 6.1100 6.1100 6.1100 6.1100 6.9709 6.9709 6.9709 6.9709 7.6867 7.6867 7.6867 7.6867 8.0206 8.0206 8.0206 8.0206 11.1205 11.1205 11.1205 11.1205 11.6429 11.6429 11.6429 11.6429 12.1007 12.1007 k = 0.2800 0.1617 0.1382 ( 6074 PWs) bands (ev): -5.0801 -5.0801 -5.0801 -5.0801 -4.3635 -4.3635 -4.3635 -4.3635 -3.6624 -3.6624 -3.6624 -3.6624 3.6484 3.6484 3.6484 3.6484 4.4441 4.4441 4.4441 4.4441 4.9401 4.9401 4.9401 4.9401 5.0401 5.0401 5.0401 5.0401 5.5789 5.5789 5.5789 5.5789 6.1775 6.1775 6.1775 6.1775 6.9757 6.9757 6.9757 6.9757 7.6507 7.6507 7.6507 7.6507 7.9793 7.9793 7.9793 7.9793 11.1217 11.1217 11.1217 11.1217 11.6749 11.6749 11.6749 11.6749 12.1209 12.1209 k = 0.2900 0.1674 0.1382 ( 6074 PWs) bands (ev): -5.0481 -5.0481 -5.0481 -5.0481 -4.3500 -4.3500 -4.3500 -4.3500 -3.6543 -3.6543 -3.6543 -3.6543 3.6377 3.6377 3.6377 3.6377 4.4320 4.4320 4.4320 4.4320 4.9681 4.9681 4.9681 4.9681 5.0480 5.0480 5.0480 5.0480 5.5270 5.5270 5.5270 5.5270 6.2453 6.2453 6.2453 6.2453 6.9783 6.9783 6.9783 6.9783 7.6167 7.6167 7.6167 7.6167 7.9409 7.9409 7.9409 7.9409 11.1238 11.1238 11.1238 11.1238 11.7043 11.7043 11.7043 11.7043 12.1391 12.1391 k = 0.3000 0.1732 0.1382 ( 6070 PWs) bands (ev): -5.0164 -5.0164 -5.0164 -5.0164 -4.3376 -4.3376 -4.3376 -4.3376 -3.6455 -3.6455 -3.6455 -3.6455 3.6268 3.6268 3.6268 3.6268 4.4200 4.4200 4.4200 4.4200 4.9950 4.9950 4.9950 4.9950 5.0497 5.0497 5.0497 5.0497 5.4876 5.4876 5.4876 5.4876 6.3131 6.3131 6.3131 6.3131 6.9782 6.9782 6.9782 6.9782 7.5847 7.5847 7.5847 7.5847 7.9060 7.9060 7.9060 7.9060 11.1268 11.1268 11.1268 11.1268 11.7303 11.7303 11.7303 11.7303 12.1552 12.1552 k = 0.3100 0.1790 0.1382 ( 6062 PWs) bands (ev): -4.9852 -4.9852 -4.9852 -4.9852 -4.3263 -4.3263 -4.3263 -4.3263 -3.6359 -3.6359 -3.6359 -3.6359 3.6151 3.6151 3.6151 3.6151 4.4084 4.4084 4.4084 4.4084 5.0175 5.0175 5.0175 5.0175 5.0476 5.0476 5.0476 5.0476 5.4615 5.4615 5.4615 5.4615 6.3805 6.3805 6.3805 6.3805 6.9754 6.9754 6.9754 6.9754 7.5549 7.5549 7.5549 7.5549 7.8747 7.8747 7.8747 7.8747 11.1309 11.1309 11.1309 11.1309 11.7521 11.7521 11.7521 11.7521 12.1689 12.1689 k = 0.3200 0.1848 0.1382 ( 6062 PWs) bands (ev): -4.9547 -4.9547 -4.9547 -4.9547 -4.3160 -4.3160 -4.3160 -4.3160 -3.6255 -3.6255 -3.6255 -3.6255 3.6023 3.6023 3.6023 3.6023 4.3972 4.3972 4.3972 4.3972 5.0199 5.0199 5.0199 5.0199 5.0584 5.0584 5.0584 5.0584 5.4480 5.4480 5.4480 5.4480 6.4471 6.4471 6.4471 6.4471 6.9697 6.9697 6.9697 6.9697 7.5274 7.5274 7.5274 7.5274 7.8472 7.8472 7.8472 7.8472 11.1361 11.1361 11.1361 11.1361 11.7687 11.7687 11.7687 11.7687 12.1801 12.1801 k = 0.3300 0.1905 0.1382 ( 6072 PWs) bands (ev): -4.9248 -4.9248 -4.9248 -4.9248 -4.3070 -4.3070 -4.3070 -4.3070 -3.6145 -3.6145 -3.6145 -3.6145 3.5880 3.5880 3.5880 3.5880 4.3868 4.3868 4.3868 4.3868 5.0050 5.0050 5.0050 5.0050 5.0813 5.0813 5.0813 5.0813 5.4448 5.4448 5.4448 5.4448 6.5125 6.5125 6.5125 6.5125 6.9615 6.9615 6.9615 6.9615 7.5023 7.5023 7.5023 7.5023 7.8236 7.8236 7.8236 7.8236 11.1425 11.1425 11.1425 11.1425 11.7793 11.7793 11.7793 11.7793 12.1885 12.1885 k = 0.3400 0.1963 0.1382 ( 6068 PWs) bands (ev): -4.8957 -4.8957 -4.8957 -4.8957 -4.2992 -4.2992 -4.2992 -4.2992 -3.6029 -3.6029 -3.6029 -3.6029 3.5717 3.5717 3.5717 3.5717 4.3776 4.3776 4.3776 4.3776 4.9863 4.9863 4.9863 4.9863 5.1054 5.1054 5.1054 5.1054 5.4490 5.4490 5.4490 5.4490 6.5761 6.5761 6.5761 6.5761 6.9513 6.9513 6.9513 6.9513 7.4798 7.4798 7.4798 7.4798 7.8037 7.8037 7.8037 7.8037 11.1500 11.1500 11.1500 11.1500 11.7829 11.7829 11.7829 11.7829 12.1935 12.1935 k = 0.3500 0.2021 0.1382 ( 6078 PWs) bands (ev): -4.8675 -4.8675 -4.8675 -4.8675 -4.2925 -4.2925 -4.2925 -4.2925 -3.5908 -3.5908 -3.5908 -3.5908 3.5533 3.5533 3.5533 3.5533 4.3702 4.3702 4.3702 4.3702 4.9674 4.9674 4.9674 4.9674 5.1289 5.1289 5.1289 5.1289 5.4578 5.4578 5.4578 5.4578 6.6372 6.6372 6.6372 6.6372 6.9398 6.9398 6.9398 6.9398 7.4600 7.4600 7.4600 7.4600 7.7873 7.7873 7.7873 7.7873 11.1587 11.1587 11.1587 11.1587 11.7787 11.7787 11.7787 11.7787 12.1950 12.1950 k = 0.3600 0.2078 0.1382 ( 6080 PWs) bands (ev): -4.8404 -4.8404 -4.8404 -4.8404 -4.2870 -4.2870 -4.2870 -4.2870 -3.5783 -3.5783 -3.5783 -3.5783 3.5327 3.5327 3.5327 3.5327 4.3650 4.3650 4.3650 4.3650 4.9501 4.9501 4.9501 4.9501 5.1514 5.1514 5.1514 5.1514 5.4691 5.4691 5.4691 5.4691 6.6948 6.6948 6.6948 6.6948 6.9283 6.9283 6.9283 6.9283 7.4430 7.4430 7.4430 7.4430 7.7740 7.7740 7.7740 7.7740 11.1685 11.1685 11.1685 11.1685 11.7659 11.7659 11.7659 11.7660 12.1925 12.1925 k = 0.3700 0.2136 0.1382 ( 6080 PWs) bands (ev): -4.8144 -4.8144 -4.8144 -4.8144 -4.2827 -4.2827 -4.2827 -4.2827 -3.5657 -3.5657 -3.5657 -3.5657 3.5101 3.5101 3.5101 3.5101 4.3623 4.3623 4.3623 4.3623 4.9350 4.9350 4.9350 4.9350 5.1728 5.1728 5.1728 5.1728 5.4812 5.4812 5.4812 5.4812 6.7472 6.7472 6.7472 6.7472 6.9185 6.9185 6.9185 6.9185 7.4291 7.4291 7.4291 7.4291 7.7634 7.7634 7.7634 7.7634 11.1794 11.1794 11.1794 11.1794 11.7443 11.7443 11.7443 11.7443 12.1862 12.1862 k = 0.3800 0.2194 0.1382 ( 6080 PWs) bands (ev): -4.7896 -4.7896 -4.7896 -4.7896 -4.2793 -4.2793 -4.2793 -4.2793 -3.5529 -3.5529 -3.5529 -3.5529 3.4857 3.4857 3.4857 3.4857 4.3623 4.3623 4.3623 4.3623 4.9224 4.9224 4.9224 4.9224 5.1929 5.1929 5.1929 5.1929 5.4931 5.4931 5.4931 5.4931 6.7912 6.7912 6.7912 6.7912 6.9136 6.9136 6.9136 6.9136 7.4184 7.4184 7.4184 7.4184 7.7550 7.7550 7.7550 7.7550 11.1911 11.1911 11.1911 11.1911 11.7141 11.7141 11.7141 11.7141 12.1763 12.1763 k = 0.3900 0.2252 0.1382 ( 6092 PWs) bands (ev): -4.7662 -4.7662 -4.7662 -4.7662 -4.2770 -4.2770 -4.2770 -4.2770 -3.5403 -3.5403 -3.5403 -3.5403 3.4601 3.4601 3.4601 3.4601 4.3649 4.3649 4.3649 4.3649 4.9122 4.9122 4.9122 4.9122 5.2117 5.2117 5.2117 5.2117 5.5040 5.5040 5.5040 5.5040 6.8205 6.8205 6.8205 6.8205 6.9199 6.9199 6.9199 6.9199 7.4112 7.4112 7.4112 7.4112 7.7486 7.7486 7.7486 7.7486 11.2036 11.2036 11.2036 11.2036 11.6762 11.6762 11.6762 11.6762 12.1635 12.1635 k = 0.4000 0.2309 0.1382 ( 6092 PWs) bands (ev): -4.7442 -4.7442 -4.7442 -4.7442 -4.2755 -4.2755 -4.2755 -4.2755 -3.5280 -3.5280 -3.5280 -3.5280 3.4339 3.4339 3.4339 3.4339 4.3701 4.3701 4.3701 4.3701 4.9041 4.9041 4.9041 4.9041 5.2290 5.2290 5.2290 5.2290 5.5133 5.5133 5.5133 5.5133 6.8317 6.8317 6.8317 6.8317 6.9408 6.9408 6.9408 6.9408 7.4076 7.4076 7.4076 7.4076 7.7436 7.7436 7.7436 7.7436 11.2166 11.2166 11.2166 11.2166 11.6324 11.6324 11.6324 11.6324 12.1486 12.1486 k = 0.4100 0.2367 0.1382 ( 6092 PWs) bands (ev): -4.7238 -4.7238 -4.7238 -4.7238 -4.2748 -4.2748 -4.2748 -4.2748 -3.5162 -3.5162 -3.5162 -3.5162 3.4077 3.4077 3.4077 3.4077 4.3775 4.3775 4.3775 4.3775 4.8978 4.8978 4.8978 4.8978 5.2447 5.2447 5.2447 5.2447 5.5208 5.5208 5.5208 5.5208 6.8319 6.8319 6.8319 6.8319 6.9688 6.9688 6.9688 6.9688 7.4076 7.4076 7.4076 7.4076 7.7397 7.7397 7.7397 7.7397 11.2299 11.2299 11.2299 11.2299 11.5849 11.5849 11.5849 11.5849 12.1326 12.1326 k = 0.4200 0.2425 0.1382 ( 6100 PWs) bands (ev): -4.7051 -4.7051 -4.7051 -4.7051 -4.2747 -4.2747 -4.2747 -4.2747 -3.5050 -3.5050 -3.5050 -3.5050 3.3822 3.3822 3.3822 3.3822 4.3865 4.3865 4.3865 4.3865 4.8928 4.8928 4.8928 4.8928 5.2590 5.2590 5.2590 5.2590 5.5263 5.5263 5.5263 5.5263 6.8286 6.8286 6.8286 6.8286 6.9963 6.9963 6.9963 6.9963 7.4112 7.4112 7.4112 7.4112 7.7367 7.7367 7.7367 7.7367 11.2433 11.2433 11.2433 11.2433 11.5362 11.5362 11.5362 11.5362 12.1163 12.1163 k = 0.4300 0.2483 0.1382 ( 6098 PWs) bands (ev): -4.6881 -4.6881 -4.6881 -4.6881 -4.2751 -4.2751 -4.2751 -4.2751 -3.4946 -3.4946 -3.4946 -3.4946 3.3581 3.3581 3.3581 3.3581 4.3966 4.3966 4.3966 4.3966 4.8890 4.8890 4.8890 4.8890 5.2716 5.2716 5.2716 5.2716 5.5300 5.5300 5.5300 5.5300 6.8250 6.8250 6.8250 6.8250 7.0201 7.0201 7.0201 7.0201 7.4178 7.4178 7.4178 7.4178 7.7344 7.7344 7.7344 7.7344 11.2562 11.2562 11.2562 11.2562 11.4884 11.4884 11.4884 11.4884 12.1002 12.1002 k = 0.4400 0.2540 0.1382 ( 6096 PWs) bands (ev): -4.6731 -4.6731 -4.6731 -4.6731 -4.2759 -4.2759 -4.2759 -4.2759 -3.4853 -3.4853 -3.4853 -3.4853 3.3359 3.3359 3.3359 3.3359 4.4072 4.4072 4.4072 4.4072 4.8860 4.8860 4.8860 4.8860 5.2826 5.2826 5.2826 5.2826 5.5321 5.5321 5.5321 5.5321 6.8220 6.8220 6.8220 6.8220 7.0395 7.0395 7.0395 7.0395 7.4266 7.4266 7.4266 7.4266 7.7326 7.7326 7.7326 7.7326 11.2684 11.2684 11.2684 11.2684 11.4437 11.4437 11.4437 11.4437 12.0850 12.0850 k = 0.4500 0.2598 0.1382 ( 6084 PWs) bands (ev): -4.6600 -4.6600 -4.6600 -4.6600 -4.2768 -4.2768 -4.2768 -4.2768 -3.4771 -3.4771 -3.4771 -3.4771 3.3163 3.3163 3.3163 3.3163 4.4177 4.4177 4.4177 4.4177 4.8836 4.8836 4.8836 4.8836 5.2919 5.2919 5.2919 5.2919 5.5330 5.5330 5.5330 5.5330 6.8200 6.8200 6.8200 6.8200 7.0545 7.0545 7.0545 7.0545 7.4368 7.4368 7.4368 7.4368 7.7311 7.7311 7.7311 7.7311 11.2793 11.2793 11.2793 11.2793 11.4036 11.4036 11.4036 11.4036 12.0712 12.0712 k = 0.4600 0.2656 0.1382 ( 6078 PWs) bands (ev): -4.6491 -4.6491 -4.6491 -4.6491 -4.2779 -4.2779 -4.2779 -4.2779 -3.4702 -3.4702 -3.4702 -3.4702 3.2996 3.2996 3.2996 3.2996 4.4273 4.4273 4.4273 4.4273 4.8816 4.8816 4.8816 4.8816 5.2996 5.2996 5.2996 5.2996 5.5329 5.5329 5.5329 5.5329 6.8188 6.8188 6.8188 6.8188 7.0656 7.0656 7.0656 7.0656 7.4470 7.4470 7.4470 7.4470 7.7300 7.7300 7.7300 7.7300 11.2883 11.2883 11.2883 11.2883 11.3699 11.3699 11.3699 11.3699 12.0591 12.0591 k = 0.4700 0.2714 0.1382 ( 6074 PWs) bands (ev): -4.6405 -4.6405 -4.6405 -4.6405 -4.2789 -4.2789 -4.2789 -4.2789 -3.4648 -3.4648 -3.4648 -3.4648 3.2862 3.2862 3.2862 3.2862 4.4356 4.4356 4.4356 4.4356 4.8801 4.8801 4.8801 4.8801 5.3055 5.3055 5.3055 5.3055 5.5323 5.5323 5.5323 5.5323 6.8182 6.8182 6.8182 6.8182 7.0735 7.0735 7.0735 7.0735 7.4562 7.4562 7.4562 7.4562 7.7291 7.7291 7.7291 7.7291 11.2941 11.2941 11.2941 11.2941 11.3443 11.3443 11.3443 11.3443 12.0493 12.0493 k = 0.4800 0.2771 0.1382 ( 6084 PWs) bands (ev): -4.6343 -4.6343 -4.6343 -4.6343 -4.2797 -4.2797 -4.2797 -4.2797 -3.4608 -3.4608 -3.4608 -3.4608 3.2765 3.2765 3.2765 3.2765 4.4419 4.4419 4.4419 4.4419 4.8791 4.8791 4.8791 4.8791 5.3098 5.3098 5.3098 5.3098 5.5316 5.5316 5.5316 5.5316 6.8180 6.8180 6.8180 6.8180 7.0787 7.0787 7.0787 7.0787 7.4634 7.4634 7.4634 7.4634 7.7285 7.7285 7.7285 7.7285 11.2950 11.2950 11.2950 11.2950 11.3291 11.3291 11.3291 11.3291 12.0420 12.0420 k = 0.4900 0.2829 0.1382 ( 6076 PWs) bands (ev): -4.6305 -4.6305 -4.6305 -4.6305 -4.2802 -4.2802 -4.2802 -4.2802 -3.4584 -3.4584 -3.4584 -3.4584 3.2706 3.2706 3.2706 3.2706 4.4459 4.4459 4.4459 4.4459 4.8784 4.8784 4.8784 4.8784 5.3124 5.3124 5.3124 5.3124 5.5311 5.5311 5.5311 5.5311 6.8180 6.8180 6.8180 6.8180 7.0816 7.0816 7.0816 7.0816 7.4681 7.4681 7.4681 7.4681 7.7281 7.7281 7.7281 7.7281 11.2915 11.2915 11.2915 11.2915 11.3239 11.3239 11.3239 11.3239 12.0375 12.0375 k = 0.5000 0.2887 0.1382 ( 6080 PWs) bands (ev): -4.6293 -4.6293 -4.6293 -4.6293 -4.2804 -4.2804 -4.2804 -4.2804 -3.4576 -3.4576 -3.4576 -3.4576 3.2686 3.2686 3.2686 3.2686 4.4472 4.4472 4.4472 4.4472 4.8782 4.8782 4.8782 4.8782 5.3133 5.3133 5.3133 5.3133 5.5309 5.5309 5.5309 5.5309 6.8181 6.8181 6.8181 6.8181 7.0825 7.0825 7.0825 7.0825 7.4697 7.4697 7.4697 7.4697 7.7280 7.7280 7.7280 7.7280 11.2894 11.2894 11.2894 11.2894 11.3231 11.3231 11.3231 11.3231 12.0360 12.0360 k = 0.5000 0.2887 0.1382 ( 6080 PWs) bands (ev): -4.6293 -4.6293 -4.6293 -4.6293 -4.2804 -4.2804 -4.2804 -4.2804 -3.4576 -3.4576 -3.4576 -3.4576 3.2686 3.2686 3.2686 3.2686 4.4472 4.4472 4.4472 4.4472 4.8782 4.8782 4.8782 4.8782 5.3133 5.3133 5.3133 5.3133 5.5309 5.5309 5.5309 5.5309 6.8181 6.8181 6.8181 6.8181 7.0825 7.0825 7.0825 7.0825 7.4697 7.4697 7.4697 7.4697 7.7280 7.7280 7.7280 7.7280 11.2894 11.2894 11.2894 11.2894 11.3231 11.3231 11.3231 11.3231 12.0360 12.0360 k = 0.4943 0.2986 0.1382 ( 6068 PWs) bands (ev): -4.6289 -4.6289 -4.6288 -4.6288 -4.2804 -4.2804 -4.2804 -4.2804 -3.4575 -3.4575 -3.4570 -3.4570 3.2699 3.2699 3.2701 3.2701 4.4470 4.4470 4.4491 4.4491 4.8744 4.8744 4.8797 4.8797 5.3128 5.3128 5.3148 5.3148 5.5294 5.5294 5.5339 5.5339 6.7911 6.7911 6.8210 6.8210 7.0752 7.0752 7.1070 7.1070 7.4688 7.4688 7.4710 7.4710 7.7251 7.7251 7.7278 7.7278 11.2357 11.2357 11.2657 11.2657 11.3441 11.3441 11.3713 11.3713 12.0201 12.0210 k = 0.4885 0.3086 0.1382 ( 6068 PWs) bands (ev): -4.6276 -4.6276 -4.6275 -4.6275 -4.2806 -4.2806 -4.2805 -4.2805 -3.4569 -3.4569 -3.4559 -3.4559 3.2742 3.2742 3.2744 3.2744 4.4483 4.4483 4.4524 4.4524 4.8685 4.8685 4.8790 4.8790 5.3136 5.3136 5.3173 5.3173 5.5293 5.5293 5.5386 5.5386 6.7490 6.7490 6.7979 6.7979 7.0873 7.0873 7.1396 7.1396 7.4687 7.4687 7.4726 7.4726 7.7191 7.7191 7.7245 7.7245 11.1766 11.1766 11.2081 11.2081 11.3908 11.3908 11.4172 11.4172 11.9919 11.9920 k = 0.4828 0.3185 0.1382 ( 6064 PWs) bands (ev): -4.6256 -4.6256 -4.6254 -4.6254 -4.2808 -4.2808 -4.2806 -4.2806 -3.4557 -3.4557 -3.4542 -3.4542 3.2813 3.2813 3.2817 3.2817 4.4511 4.4511 4.4573 4.4573 4.8608 4.8608 4.8760 4.8760 5.3155 5.3155 5.3204 5.3204 5.5305 5.5305 5.5448 5.5448 6.6986 6.6986 6.7565 6.7565 7.1109 7.1109 7.1725 7.1725 7.4701 7.4701 7.4746 7.4746 7.7105 7.7105 7.7186 7.7186 11.1136 11.1136 11.1465 11.1465 11.4338 11.4338 11.4593 11.4593 11.9559 11.9560 k = 0.4770 0.3285 0.1382 ( 6074 PWs) bands (ev): -4.6227 -4.6227 -4.6224 -4.6224 -4.2811 -4.2811 -4.2809 -4.2809 -3.4539 -3.4539 -3.4519 -3.4519 3.2912 3.2912 3.2917 3.2917 4.4555 4.4555 4.4637 4.4637 4.8515 4.8515 4.8709 4.8709 5.3184 5.3184 5.3236 5.3236 5.5330 5.5330 5.5526 5.5526 6.6439 6.6439 6.7052 6.7052 7.1371 7.1371 7.2006 7.2006 7.4743 7.4743 7.4771 7.4771 7.6998 7.6998 7.7106 7.7106 11.0472 11.0472 11.0813 11.0813 11.4727 11.4727 11.4977 11.4977 11.9155 11.9155 k = 0.4713 0.3384 0.1382 ( 6082 PWs) bands (ev): -4.6190 -4.6190 -4.6187 -4.6187 -4.2815 -4.2815 -4.2812 -4.2812 -3.4515 -3.4515 -3.4491 -3.4491 3.3039 3.3039 3.3046 3.3046 4.4614 4.4614 4.4716 4.4716 4.8410 4.8410 4.8637 4.8637 5.3219 5.3219 5.3266 5.3266 5.5364 5.5364 5.5619 5.5619 6.5873 6.5873 6.6491 6.6491 7.1603 7.1603 7.2201 7.2201 7.4804 7.4804 7.4824 7.4824 7.6882 7.6882 7.7013 7.7013 10.9781 10.9781 11.0133 11.0133 11.5070 11.5070 11.5321 11.5321 11.8734 11.8734 k = 0.4655 0.3484 0.1382 ( 6076 PWs) bands (ev): -4.6146 -4.6146 -4.6142 -4.6142 -4.2820 -4.2820 -4.2817 -4.2817 -3.4486 -3.4486 -3.4457 -3.4457 3.3193 3.3193 3.3203 3.3203 4.4687 4.4687 4.4808 4.4808 4.8294 4.8294 4.8548 4.8548 5.3254 5.3254 5.3288 5.3288 5.5408 5.5408 5.5727 5.5727 6.5306 6.5306 6.5910 6.5910 7.1770 7.1770 7.2284 7.2284 7.4846 7.4846 7.4950 7.4950 7.6770 7.6770 7.6918 7.6918 10.9066 10.9066 10.9429 10.9429 11.5359 11.5359 11.5616 11.5616 11.8319 11.8319 k = 0.4598 0.3584 0.1382 ( 6090 PWs) bands (ev): -4.6094 -4.6094 -4.6089 -4.6089 -4.2826 -4.2826 -4.2823 -4.2823 -3.4452 -3.4452 -3.4418 -3.4418 3.3374 3.3374 3.3386 3.3386 4.4773 4.4773 4.4913 4.4913 4.8172 4.8172 4.8444 4.8444 5.3284 5.3284 5.3296 5.3296 5.5459 5.5459 5.5846 5.5846 6.4752 6.4752 6.5330 6.5330 7.1847 7.1847 7.2249 7.2249 7.4890 7.4890 7.5112 7.5112 7.6681 7.6681 7.6837 7.6837 10.8335 10.8335 10.8708 10.8708 11.5567 11.5567 11.5842 11.5842 11.7943 11.7943 k = 0.4540 0.3683 0.1382 ( 6086 PWs) bands (ev): -4.6035 -4.6035 -4.6029 -4.6029 -4.2834 -4.2834 -4.2830 -4.2830 -3.4413 -3.4413 -3.4374 -3.4374 3.3580 3.3580 3.3596 3.3596 4.4872 4.4872 4.5028 4.5028 4.8046 4.8046 4.8327 4.8327 5.3286 5.3286 5.3300 5.3300 5.5515 5.5515 5.5975 5.5975 6.4225 6.4225 6.4768 6.4768 7.1822 7.1822 7.2102 7.2102 7.4923 7.4923 7.5279 7.5279 7.6639 7.6639 7.6790 7.6790 10.7592 10.7592 10.7975 10.7975 11.5650 11.5650 11.5956 11.5956 11.7659 11.7659 k = 0.4483 0.3783 0.1382 ( 6086 PWs) bands (ev): -4.5969 -4.5969 -4.5963 -4.5963 -4.2843 -4.2843 -4.2839 -4.2839 -3.4369 -3.4369 -3.4326 -3.4326 3.3812 3.3812 3.3832 3.3832 4.4982 4.4982 4.5151 4.5151 4.7921 4.7921 4.8199 4.8199 5.3251 5.3251 5.3294 5.3294 5.5578 5.5578 5.6112 5.6112 6.3739 6.3739 6.4237 6.4237 7.1692 7.1692 7.1858 7.1858 7.4930 7.4930 7.5414 7.5414 7.6661 7.6661 7.6801 7.6801 10.6842 10.6842 10.7236 10.7236 11.5553 11.5553 11.5900 11.5900 11.7524 11.7524 k = 0.4425 0.3882 0.1382 ( 6086 PWs) bands (ev): -4.5896 -4.5896 -4.5890 -4.5890 -4.2854 -4.2854 -4.2850 -4.2850 -3.4321 -3.4321 -3.4273 -3.4273 3.4069 3.4069 3.4093 3.4093 4.5101 4.5101 4.5279 4.5279 4.7799 4.7799 4.8064 4.8064 5.3185 5.3185 5.3257 5.3257 5.5646 5.5646 5.6253 5.6253 6.3306 6.3306 6.3750 6.3750 7.1461 7.1461 7.1530 7.1530 7.4900 7.4900 7.5486 7.5486 7.6753 7.6753 7.6891 7.6891 10.6090 10.6090 10.6496 10.6496 11.5279 11.5279 11.5660 11.5660 11.7540 11.7540 k = 0.4368 0.3982 0.1382 ( 6094 PWs) bands (ev): -4.5818 -4.5818 -4.5811 -4.5811 -4.2868 -4.2868 -4.2864 -4.2864 -3.4269 -3.4269 -3.4217 -3.4217 3.4348 3.4348 3.4377 3.4377 4.5226 4.5226 4.5406 4.5406 4.7686 4.7686 4.7924 4.7924 5.3085 5.3085 5.3180 5.3180 5.5722 5.5722 5.6397 5.6397 6.2937 6.2937 6.3321 6.3321 7.1130 7.1130 7.1139 7.1139 7.4837 7.4837 7.5490 7.5490 7.6906 7.6906 7.7055 7.7055 10.5341 10.5341 10.5759 10.5759 11.4891 11.4891 11.5290 11.5290 11.7650 11.7650 k = 0.4310 0.4081 0.1382 ( 6094 PWs) bands (ev): -4.5734 -4.5734 -4.5726 -4.5726 -4.2884 -4.2884 -4.2879 -4.2879 -3.4213 -3.4213 -3.4157 -3.4157 3.4648 3.4648 3.4685 3.4685 4.5353 4.5353 4.5525 4.5525 4.7589 4.7589 4.7780 4.7780 5.2945 5.2945 5.3056 5.3056 5.5808 5.5808 5.6540 5.6540 6.2642 6.2642 6.2961 6.2961 7.0669 7.0669 7.0737 7.0737 7.4749 7.4749 7.5444 7.5444 7.7102 7.7102 7.7268 7.7268 10.4597 10.4597 10.5029 10.5029 11.4444 11.4444 11.4854 11.4854 11.7800 11.7800 k = 0.4253 0.4181 0.1382 ( 6090 PWs) bands (ev): -4.5644 -4.5644 -4.5636 -4.5636 -4.2903 -4.2903 -4.2898 -4.2898 -3.4155 -3.4155 -3.4094 -3.4094 3.4969 3.4969 3.5013 3.5013 4.5477 4.5477 4.5625 4.5625 4.7514 4.7514 4.7636 4.7636 5.2766 5.2766 5.2885 5.2885 5.5906 5.5906 5.6682 5.6682 6.2424 6.2424 6.2676 6.2676 7.0154 7.0154 7.0266 7.0266 7.4646 7.4646 7.5368 7.5368 7.7323 7.7323 7.7508 7.7508 10.3864 10.3864 10.4309 10.4309 11.3974 11.3974 11.4391 11.4391 11.7962 11.7962 k = 0.4195 0.4280 0.1382 ( 6086 PWs) bands (ev): -4.5551 -4.5551 -4.5542 -4.5542 -4.2924 -4.2924 -4.2919 -4.2919 -3.4094 -3.4094 -3.4029 -3.4029 3.5307 3.5307 3.5361 3.5361 4.5590 4.5590 4.5694 4.5694 4.7470 4.7470 4.7495 4.7495 5.2551 5.2551 5.2672 5.2672 5.6017 5.6017 5.6823 5.6823 6.2285 6.2285 6.2471 6.2471 6.9594 6.9594 6.9738 6.9738 7.4533 7.4533 7.5274 7.5274 7.7558 7.7558 7.7756 7.7756 10.3143 10.3143 10.3604 10.3604 11.3498 11.3498 11.3922 11.3922 11.8121 11.8121 k = 0.4138 0.4380 0.1382 ( 6082 PWs) bands (ev): -4.5453 -4.5453 -4.5443 -4.5443 -4.2949 -4.2949 -4.2944 -4.2944 -3.4031 -3.4031 -3.3962 -3.3962 3.5662 3.5662 3.5728 3.5728 4.5683 4.5683 4.5723 4.5723 4.7359 4.7359 4.7460 4.7460 5.2308 5.2308 5.2429 5.2429 5.6144 5.6144 5.6964 5.6964 6.2219 6.2219 6.2346 6.2346 6.8994 6.8994 6.9161 6.9161 7.4415 7.4415 7.5170 7.5170 7.7797 7.7797 7.8005 7.8005 10.2440 10.2440 10.2915 10.2915 11.3029 11.3029 11.3460 11.3460 11.8271 11.8271 k = 0.4080 0.4479 0.1382 ( 6080 PWs) bands (ev): -4.5352 -4.5352 -4.5342 -4.5342 -4.2977 -4.2977 -4.2971 -4.2971 -3.3966 -3.3966 -3.3894 -3.3894 3.6030 3.6030 3.6110 3.6110 4.5708 4.5708 4.5743 4.5743 4.7231 4.7231 4.7479 4.7479 5.2052 5.2052 5.2172 5.2172 5.6286 5.6286 5.7106 5.7106 6.2219 6.2219 6.2293 6.2293 6.8362 6.8362 6.8545 6.8545 7.4294 7.4294 7.5060 7.5060 7.8034 7.8034 7.8247 7.8247 10.1756 10.1756 10.2247 10.2247 11.2574 11.2574 11.3012 11.3013 11.8408 11.8408 k = 0.4023 0.4579 0.1382 ( 6086 PWs) bands (ev): -4.5248 -4.5248 -4.5237 -4.5237 -4.3010 -4.3010 -4.3003 -4.3003 -3.3902 -3.3902 -3.3826 -3.3826 3.6409 3.6409 3.6505 3.6505 4.5651 4.5651 4.5759 4.5759 4.7114 4.7114 4.7512 4.7512 5.1804 5.1804 5.1924 5.1924 5.6442 5.6442 5.7251 5.7251 6.2275 6.2275 6.2306 6.2306 6.7703 6.7703 6.7896 6.7896 7.4172 7.4172 7.4948 7.4948 7.8264 7.8264 7.8480 7.8480 10.1096 10.1096 10.1602 10.1602 11.2139 11.2139 11.2586 11.2586 11.8531 11.8531 k = 0.3966 0.4679 0.1382 ( 6090 PWs) bands (ev): -4.5141 -4.5141 -4.5130 -4.5130 -4.3046 -4.3046 -4.3038 -4.3038 -3.3837 -3.3837 -3.3759 -3.3759 3.6795 3.6795 3.6912 3.6912 4.5562 4.5562 4.5722 4.5722 4.7004 4.7004 4.7534 4.7534 5.1589 5.1589 5.1707 5.1707 5.6613 5.6613 5.7403 5.7403 6.2373 6.2373 6.2376 6.2376 6.7023 6.7023 6.7222 6.7222 7.4049 7.4049 7.4836 7.4836 7.8485 7.8485 7.8700 7.8700 10.0463 10.0463 10.0985 10.0985 11.1729 11.1729 11.2184 11.2184 11.8640 11.8640 k = 0.3908 0.4778 0.1382 ( 6090 PWs) bands (ev): -4.5033 -4.5033 -4.5021 -4.5021 -4.3086 -4.3086 -4.3078 -4.3078 -3.3774 -3.3774 -3.3692 -3.3692 3.7184 3.7184 3.7325 3.7325 4.5448 4.5448 4.5630 4.5630 4.6893 4.6893 4.7519 4.7519 5.1435 5.1435 5.1544 5.1544 5.6797 5.6797 5.7563 5.7563 6.2481 6.2481 6.2512 6.2512 6.6329 6.6329 6.6530 6.6530 7.3929 7.3929 7.4725 7.4725 7.8693 7.8693 7.8906 7.8906 9.9862 9.9862 10.0399 10.0399 11.1347 11.1347 11.1811 11.1811 11.8735 11.8735 k = 0.3851 0.4878 0.1382 ( 6088 PWs) bands (ev): -4.4924 -4.4924 -4.4910 -4.4910 -4.3131 -4.3131 -4.3121 -4.3121 -3.3712 -3.3712 -3.3628 -3.3628 3.7571 3.7571 3.7742 3.7742 4.5321 4.5321 4.5489 4.5489 4.6770 4.6770 4.7448 4.7448 5.1361 5.1361 5.1448 5.1448 5.6996 5.6996 5.7733 5.7733 6.2620 6.2620 6.2672 6.2672 6.5626 6.5626 6.5827 6.5827 7.3811 7.3811 7.4616 7.4616 7.8887 7.8887 7.9097 7.9097 9.9296 9.9296 9.9847 9.9847 11.0997 11.0997 11.1470 11.1470 11.8817 11.8817 k = 0.3793 0.4977 0.1382 ( 6096 PWs) bands (ev): -4.4815 -4.4815 -4.4800 -4.4800 -4.3180 -4.3180 -4.3169 -4.3169 -3.3653 -3.3653 -3.3567 -3.3567 3.7951 3.7951 3.8158 3.8158 4.5187 4.5187 4.5306 4.5306 4.6630 4.6630 4.7312 4.7312 5.1377 5.1377 5.1426 5.1426 5.7208 5.7208 5.7916 5.7916 6.2776 6.2776 6.2843 6.2843 6.4923 6.4923 6.5119 6.5119 7.3699 7.3699 7.4513 7.4513 7.9065 7.9065 7.9271 7.9271 9.8770 9.8770 9.9335 9.9335 11.0680 11.0680 11.1161 11.1161 11.8885 11.8885 k = 0.3736 0.5077 0.1382 ( 6096 PWs) bands (ev): -4.4706 -4.4706 -4.4690 -4.4690 -4.3233 -4.3233 -4.3221 -4.3221 -3.3598 -3.3598 -3.3509 -3.3509 3.8315 3.8315 3.8566 3.8566 4.5055 4.5055 4.5095 4.5095 4.6474 4.6474 4.7120 4.7120 5.1473 5.1473 5.1474 5.1474 5.7434 5.7434 5.8113 5.8113 6.2936 6.2936 6.3012 6.3012 6.4233 6.4233 6.4419 6.4419 7.3594 7.3594 7.4416 7.4416 7.9226 7.9226 7.9427 7.9427 9.8289 9.8289 9.8867 9.8867 11.0398 11.0398 11.0887 11.0887 11.8941 11.8941 k = 0.3678 0.5176 0.1382 ( 6108 PWs) bands (ev): -4.4600 -4.4600 -4.4581 -4.4581 -4.3290 -4.3290 -4.3276 -4.3276 -3.3547 -3.3547 -3.3457 -3.3457 3.8655 3.8655 3.8958 3.8958 4.4867 4.4867 4.4935 4.4935 4.6309 4.6309 4.6890 4.6890 5.1576 5.1576 5.1634 5.1634 5.7672 5.7672 5.8325 5.8325 6.3068 6.3068 6.3123 6.3123 6.3611 6.3611 6.3756 6.3756 7.3498 7.3498 7.4328 7.4328 7.9368 7.9368 7.9565 7.9565 9.7857 9.7857 9.8447 9.8447 11.0153 11.0153 11.0649 11.0649 11.8986 11.8987 k = 0.3621 0.5276 0.1382 ( 6098 PWs) bands (ev): -4.4496 -4.4496 -4.4474 -4.4474 -4.3352 -4.3352 -4.3335 -4.3335 -3.3501 -3.3501 -3.3410 -3.3410 3.8961 3.8961 3.9323 3.9323 4.4639 4.4639 4.4838 4.4838 4.6142 4.6142 4.6640 4.6640 5.1718 5.1718 5.1833 5.1833 5.7921 5.7921 5.8553 5.8553 6.2775 6.2775 6.2900 6.2900 6.3403 6.3403 6.3459 6.3459 7.3413 7.3413 7.4250 7.4250 7.9490 7.9490 7.9682 7.9682 9.7480 9.7480 9.8080 9.8080 10.9945 10.9945 11.0447 11.0447 11.9021 11.9021 k = 0.3563 0.5375 0.1382 ( 6100 PWs) bands (ev): -4.4397 -4.4397 -4.4372 -4.4372 -4.3416 -4.3416 -4.3396 -4.3396 -3.3462 -3.3462 -3.3369 -3.3369 3.9221 3.9221 3.9648 3.9648 4.4430 4.4430 4.4774 4.4774 4.5981 4.5981 4.6388 4.6388 5.1880 5.1880 5.2047 5.2047 5.8178 5.8178 5.8799 5.8799 6.2180 6.2180 6.2316 6.2316 6.3480 6.3480 6.3575 6.3575 7.3341 7.3341 7.4184 7.4184 7.9592 7.9592 7.9780 7.9780 9.7161 9.7161 9.7770 9.7770 10.9774 10.9774 11.0283 11.0283 11.9047 11.9047 k = 0.3506 0.5475 0.1382 ( 6100 PWs) bands (ev): -4.4306 -4.4306 -4.4277 -4.4277 -4.3480 -4.3480 -4.3455 -4.3455 -3.3430 -3.3430 -3.3337 -3.3337 3.9427 3.9427 3.9918 3.9918 4.4260 4.4260 4.4752 4.4752 4.5836 4.5836 4.6148 4.6148 5.2042 5.2042 5.2252 5.2252 5.8434 5.8434 5.9059 5.9059 6.1617 6.1617 6.1726 6.1726 6.3586 6.3586 6.3690 6.3690 7.3284 7.3284 7.4131 7.4131 7.9673 7.9673 7.9857 7.9857 9.6907 9.6907 9.7522 9.7522 10.9642 10.9642 11.0155 11.0155 11.9064 11.9064 k = 0.3448 0.5574 0.1382 ( 6108 PWs) bands (ev): -4.4229 -4.4229 -4.4194 -4.4194 -4.3540 -4.3540 -4.3510 -4.3510 -3.3407 -3.3407 -3.3312 -3.3312 3.9571 3.9571 4.0116 4.0116 4.4144 4.4144 4.4774 4.4774 4.5713 4.5713 4.5935 4.5935 5.2182 5.2182 5.2425 5.2425 5.8670 5.8670 5.9325 5.9325 6.1141 6.1141 6.1198 6.1198 6.3671 6.3671 6.3780 6.3780 7.3242 7.3242 7.4094 7.4094 7.9731 7.9731 7.9912 7.9912 9.6720 9.6720 9.7341 9.7341 10.9547 10.9547 11.0064 11.0064 11.9075 11.9075 k = 0.3391 0.5674 0.1382 ( 6112 PWs) bands (ev): -4.4174 -4.4174 -4.4133 -4.4133 -4.3586 -4.3586 -4.3551 -4.3551 -3.3392 -3.3392 -3.3297 -3.3297 3.9652 3.9652 4.0233 4.0233 4.4087 4.4087 4.4825 4.4825 4.5626 4.5626 4.5771 4.5771 5.2281 5.2281 5.2544 5.2544 5.8847 5.8847 5.9565 5.9565 6.0789 6.0789 6.0808 6.0808 6.3725 6.3725 6.3836 6.3836 7.3217 7.3217 7.4071 7.4071 7.9766 7.9766 7.9946 7.9946 9.6605 9.6605 9.7229 9.7229 10.9491 10.9491 11.0009 11.0009 11.9080 11.9080 k = 0.3333 0.5774 0.1382 ( 6108 PWs) bands (ev): -4.4153 -4.4153 -4.4109 -4.4109 -4.3605 -4.3605 -4.3566 -4.3566 -3.3387 -3.3387 -3.3292 -3.3292 3.9677 3.9677 4.0269 4.0269 4.4074 4.4074 4.4856 4.4856 4.5593 4.5593 4.5704 4.5704 5.2317 5.2317 5.2587 5.2587 5.8912 5.8912 5.9678 5.9678 6.0617 6.0617 6.0688 6.0688 6.3743 6.3743 6.3856 6.3856 7.3209 7.3209 7.4064 7.4064 7.9778 7.9778 7.9957 7.9957 9.6567 9.6567 9.7192 9.7192 10.9472 10.9472 10.9991 10.9991 11.9081 11.9081 k = 0.3333 0.5774 0.1382 ( 6108 PWs) bands (ev): -4.4153 -4.4153 -4.4109 -4.4109 -4.3605 -4.3605 -4.3566 -4.3566 -3.3387 -3.3387 -3.3292 -3.3292 3.9677 3.9677 4.0269 4.0269 4.4074 4.4074 4.4856 4.4856 4.5593 4.5593 4.5704 4.5704 5.2317 5.2317 5.2587 5.2587 5.8912 5.8912 5.9678 5.9678 6.0617 6.0617 6.0688 6.0688 6.3743 6.3743 6.3856 6.3856 7.3209 7.3209 7.4064 7.4064 7.9778 7.9778 7.9957 7.9957 9.6567 9.6567 9.7192 9.7192 10.9472 10.9472 10.9991 10.9991 11.9081 11.9081 k = 0.3276 0.5674 0.1382 ( 6112 PWs) bands (ev): -4.4174 -4.4174 -4.4134 -4.4134 -4.3585 -4.3585 -4.3550 -4.3550 -3.3392 -3.3392 -3.3297 -3.3297 3.9656 3.9656 4.0239 4.0239 4.4075 4.4075 4.4813 4.4813 4.5632 4.5632 4.5779 4.5779 5.2276 5.2276 5.2540 5.2540 5.8862 5.8862 5.9587 5.9587 6.0770 6.0770 6.0796 6.0796 6.3725 6.3725 6.3837 6.3837 7.3217 7.3217 7.4071 7.4071 7.9766 7.9766 7.9946 7.9946 9.6606 9.6606 9.7230 9.7230 10.9491 10.9491 11.0009 11.0009 11.9080 11.9080 k = 0.3218 0.5574 0.1382 ( 6108 PWs) bands (ev): -4.4235 -4.4235 -4.4200 -4.4200 -4.3534 -4.3534 -4.3505 -4.3505 -3.3408 -3.3408 -3.3314 -3.3314 3.9605 3.9605 4.0163 4.0163 4.4058 4.4058 4.4701 4.4701 4.5757 4.5757 4.5978 4.5978 5.2150 5.2150 5.2396 5.2396 5.8768 5.8768 5.9443 5.9443 6.1064 6.1064 6.1098 6.1098 6.3674 6.3674 6.3781 6.3781 7.3239 7.3239 7.4090 7.4090 7.9729 7.9729 7.9911 7.9911 9.6727 9.6727 9.7347 9.7347 10.9547 10.9547 11.0062 11.0062 11.9078 11.9078 k = 0.3161 0.5475 0.1382 ( 6104 PWs) bands (ev): -4.4324 -4.4324 -4.4295 -4.4295 -4.3466 -4.3466 -4.3442 -4.3442 -3.3436 -3.3436 -3.3342 -3.3342 3.9536 3.9536 4.0063 4.0063 4.4010 4.4010 4.4557 4.4557 4.5959 4.5959 4.6249 4.6249 5.1940 5.1940 5.2161 5.2161 5.8695 5.8695 5.9341 5.9341 6.1419 6.1419 6.1493 6.1493 6.3599 6.3599 6.3696 6.3696 7.3273 7.3273 7.4120 7.4120 7.9668 7.9668 7.9855 7.9855 9.6930 9.6930 9.7545 9.7545 10.9639 10.9639 11.0150 11.0150 11.9075 11.9075 k = 0.3103 0.5375 0.1382 ( 6096 PWs) bands (ev): -4.4434 -4.4434 -4.4410 -4.4410 -4.3390 -4.3390 -4.3370 -4.3370 -3.3475 -3.3475 -3.3383 -3.3383 3.9462 3.9462 3.9955 3.9955 4.3934 4.3934 4.4405 4.4405 4.6213 4.6213 4.6552 4.6552 5.1661 5.1661 5.1853 5.1853 5.8665 5.8665 5.9294 5.9294 6.1816 6.1816 6.1913 6.1913 6.3514 6.3514 6.3592 6.3592 7.3316 7.3316 7.4157 7.4157 7.9582 7.9582 7.9775 7.9775 9.7216 9.7216 9.7823 9.7823 10.9767 10.9767 11.0271 11.0271 11.9074 11.9074 k = 0.3046 0.5276 0.1382 ( 6088 PWs) bands (ev): -4.4560 -4.4560 -4.4538 -4.4538 -4.3312 -4.3312 -4.3295 -4.3295 -3.3527 -3.3527 -3.3435 -3.3435 3.9393 3.9393 3.9853 3.9853 4.3840 4.3840 4.4254 4.4254 4.6492 4.6492 4.6860 4.6860 5.1336 5.1336 5.1500 5.1500 5.8677 5.8677 5.9288 5.9288 6.2215 6.2215 6.2316 6.2316 6.3457 6.3457 6.3496 6.3496 7.3365 7.3365 7.4197 7.4197 7.9471 7.9471 7.9674 7.9674 9.7585 9.7585 9.8181 9.8181 10.9930 10.9930 11.0424 11.0424 11.9074 11.9074 k = 0.2989 0.5176 0.1382 ( 6094 PWs) bands (ev): -4.4698 -4.4698 -4.4679 -4.4679 -4.3234 -4.3234 -4.3220 -4.3220 -3.3590 -3.3590 -3.3500 -3.3500 3.9335 3.9335 3.9764 3.9764 4.3736 4.3736 4.4110 4.4110 4.6766 4.6766 4.7146 4.7146 5.0995 5.0995 5.1134 5.1134 5.8714 5.8714 5.9300 5.9300 6.2545 6.2545 6.2619 6.2619 6.3478 6.3478 6.3516 6.3516 7.3416 7.3416 7.4236 7.4236 7.9336 7.9336 7.9553 7.9553 9.8036 9.8036 9.8619 9.8619 11.0126 11.0126 11.0608 11.0608 11.9076 11.9076 k = 0.2931 0.5077 0.1382 ( 6094 PWs) bands (ev): -4.4848 -4.4848 -4.4830 -4.4830 -4.3159 -4.3159 -4.3146 -4.3146 -3.3665 -3.3665 -3.3577 -3.3577 3.9292 3.9292 3.9694 3.9694 4.3629 4.3629 4.3974 4.3974 4.7004 4.7004 4.7380 4.7380 5.0674 5.0674 5.0799 5.0799 5.8755 5.8755 5.9302 5.9302 6.2689 6.2689 6.2736 6.2736 6.3658 6.3658 6.3787 6.3787 7.3465 7.3465 7.4270 7.4270 7.9180 7.9180 7.9414 7.9414 9.8566 9.8566 9.9135 9.9135 11.0354 11.0354 11.0820 11.0820 11.9082 11.9082 k = 0.2874 0.4977 0.1382 ( 6078 PWs) bands (ev): -4.5009 -4.5009 -4.4992 -4.4992 -4.3088 -4.3088 -4.3075 -4.3075 -3.3752 -3.3752 -3.3666 -3.3666 3.9269 3.9269 3.9644 3.9644 4.3524 4.3524 4.3848 4.3848 4.7170 4.7170 4.7520 4.7520 5.0417 5.0417 5.0543 5.0543 5.8778 5.8778 5.9270 5.9270 6.2674 6.2674 6.2750 6.2750 6.4022 6.4022 6.4201 6.4201 7.3508 7.3508 7.4293 7.4293 7.9006 7.9006 7.9262 7.9262 9.9173 9.9174 9.9725 9.9725 11.0610 11.0610 11.1058 11.1058 11.9092 11.9092 k = 0.2816 0.4878 0.1382 ( 6066 PWs) bands (ev): -4.5180 -4.5180 -4.5163 -4.5163 -4.3021 -4.3021 -4.3009 -4.3009 -3.3850 -3.3850 -3.3766 -3.3766 3.9265 3.9265 3.9615 3.9615 4.3426 4.3426 4.3736 4.3736 4.7228 4.7228 4.7525 4.7525 5.0266 5.0266 5.0416 5.0416 5.8758 5.8758 5.9180 5.9180 6.2625 6.2625 6.2767 6.2767 6.4455 6.4455 6.4662 6.4662 7.3539 7.3539 7.4300 7.4300 7.8818 7.8818 7.9103 7.9103 9.9854 9.9854 10.0386 10.0386 11.0892 11.0892 11.1318 11.1318 11.9107 11.9107 k = 0.2759 0.4778 0.1382 ( 6062 PWs) bands (ev): -4.5361 -4.5361 -4.5345 -4.5345 -4.2960 -4.2960 -4.2947 -4.2947 -3.3959 -3.3959 -3.3878 -3.3878 3.9278 3.9278 3.9603 3.9603 4.3340 4.3340 4.3637 4.3637 4.7160 4.7160 4.7386 4.7386 5.0245 5.0245 5.0435 5.0435 5.8678 5.8678 5.9022 5.9022 6.2610 6.2610 6.2833 6.2833 6.4901 6.4901 6.5128 6.5128 7.3552 7.3552 7.4283 7.4283 7.8624 7.8624 7.8945 7.8945 10.0602 10.0602 10.1112 10.1112 11.1194 11.1194 11.1595 11.1595 11.9129 11.9129 k = 0.2701 0.4679 0.1382 ( 6070 PWs) bands (ev): -4.5552 -4.5552 -4.5536 -4.5536 -4.2904 -4.2904 -4.2890 -4.2890 -3.4078 -3.4078 -3.4000 -3.4000 3.9305 3.9305 3.9604 3.9604 4.3269 4.3269 4.3555 4.3555 4.6986 4.6986 4.7139 4.7139 5.0340 5.0340 5.0571 5.0571 5.8527 5.8527 5.8793 5.8793 6.2653 6.2653 6.2961 6.2961 6.5339 6.5339 6.5583 6.5583 7.3542 7.3542 7.4236 7.4236 7.8434 7.8434 7.8797 7.8797 10.1413 10.1413 10.1899 10.1899 11.1513 11.1513 11.1885 11.1885 11.9158 11.9158 k = 0.2644 0.4579 0.1382 ( 6086 PWs) bands (ev): -4.5753 -4.5753 -4.5736 -4.5736 -4.2855 -4.2855 -4.2840 -4.2840 -3.4205 -3.4205 -3.4131 -3.4131 3.9341 3.9341 3.9611 3.9611 4.3217 4.3217 4.3493 4.3493 4.6747 4.6747 4.6835 4.6835 5.0517 5.0517 5.0778 5.0778 5.8304 5.8304 5.8500 5.8500 6.2762 6.2762 6.3148 6.3148 6.5758 6.5758 6.6015 6.6015 7.3499 7.3499 7.4149 7.4149 7.8259 7.8259 7.8672 7.8672 10.2278 10.2278 10.2737 10.2737 11.1843 11.1843 11.2183 11.2183 11.9196 11.9196 k = 0.2586 0.4479 0.1382 ( 6094 PWs) bands (ev): -4.5964 -4.5964 -4.5946 -4.5946 -4.2813 -4.2813 -4.2796 -4.2796 -3.4341 -3.4341 -3.4271 -3.4271 3.9378 3.9378 3.9615 3.9615 4.3189 4.3189 4.3450 4.3450 4.6489 4.6489 4.6519 4.6519 5.0738 5.0738 5.1021 5.1021 5.8017 5.8017 5.8156 5.8156 6.2934 6.2934 6.3388 6.3388 6.6147 6.6147 6.6416 6.6416 7.3415 7.3415 7.4017 7.4017 7.8113 7.8113 7.8581 7.8581 10.3190 10.3190 10.3618 10.3618 11.2177 11.2177 11.2482 11.2482 11.9244 11.9244 k = 0.2529 0.4380 0.1382 ( 6094 PWs) bands (ev): -4.6184 -4.6184 -4.6166 -4.6166 -4.2779 -4.2779 -4.2760 -4.2760 -3.4483 -3.4483 -3.4417 -3.4417 3.9407 3.9407 3.9608 3.9608 4.3186 4.3186 4.3428 4.3428 4.6226 4.6226 4.6244 4.6244 5.0978 5.0978 5.1274 5.1274 5.7679 5.7679 5.7772 5.7772 6.3159 6.3159 6.3670 6.3670 6.6500 6.6500 6.6777 6.6777 7.3284 7.3284 7.3835 7.3835 7.8009 7.8009 7.8534 7.8534 10.4138 10.4138 10.4531 10.4531 11.2512 11.2512 11.2778 11.2778 11.9300 11.9301 k = 0.2471 0.4280 0.1382 ( 6096 PWs) bands (ev): -4.6414 -4.6414 -4.6396 -4.6396 -4.2753 -4.2753 -4.2732 -4.2732 -3.4631 -3.4631 -3.4570 -3.4570 3.9419 3.9419 3.9579 3.9579 4.3206 4.3206 4.3424 4.3424 4.5982 4.5982 4.6043 4.6043 5.1219 5.1219 5.1524 5.1524 5.7302 5.7302 5.7360 5.7360 6.3427 6.3427 6.3987 6.3987 6.6809 6.6809 6.7093 6.7093 7.3101 7.3101 7.3604 7.3604 7.7960 7.7960 7.8538 7.8538 10.5109 10.5109 10.5462 10.5462 11.2842 11.2842 11.3067 11.3067 11.9364 11.9364 k = 0.2414 0.4181 0.1382 ( 6092 PWs) bands (ev): -4.6654 -4.6654 -4.6635 -4.6635 -4.2736 -4.2736 -4.2712 -4.2712 -3.4783 -3.4783 -3.4727 -3.4727 3.9405 3.9405 3.9523 3.9523 4.3242 4.3242 4.3429 4.3429 4.5813 4.5813 4.5910 4.5910 5.1450 5.1450 5.1761 5.1761 5.6897 5.6897 5.6928 5.6928 6.3729 6.3729 6.4330 6.4330 6.7068 6.7068 6.7356 6.7356 7.2869 7.2869 7.3331 7.3331 7.7972 7.7972 7.8597 7.8597 10.6088 10.6088 10.6393 10.6393 11.3167 11.3167 11.3347 11.3347 11.9433 11.9433 k = 0.2356 0.4081 0.1382 ( 6096 PWs) bands (ev): -4.6903 -4.6903 -4.6883 -4.6883 -4.2729 -4.2729 -4.2702 -4.2702 -3.4938 -3.4938 -3.4887 -3.4887 3.9361 3.9361 3.9437 3.9437 4.3281 4.3281 4.3433 4.3433 4.5741 4.5741 4.5866 4.5866 5.1665 5.1665 5.1978 5.1978 5.6473 5.6473 5.6484 5.6484 6.4058 6.4058 6.4693 6.4693 6.7269 6.7269 6.7561 6.7561 7.2596 7.2596 7.3026 7.3026 7.8048 7.8048 7.8709 7.8709 10.7054 10.7054 10.7304 10.7304 11.3487 11.3487 11.3619 11.3619 11.9502 11.9502 k = 0.2299 0.3982 0.1382 ( 6090 PWs) bands (ev): -4.7161 -4.7161 -4.7140 -4.7140 -4.2731 -4.2731 -4.2701 -4.2701 -3.5094 -3.5094 -3.5048 -3.5048 3.9283 3.9283 3.9320 3.9320 4.3309 4.3309 4.3425 4.3425 4.5782 4.5782 4.5928 4.5928 5.1857 5.1857 5.2173 5.2173 5.6034 5.6034 5.6040 5.6040 6.4405 6.4405 6.5068 6.5068 6.7407 6.7407 6.7704 6.7704 7.2297 7.2297 7.2704 7.2704 7.8185 7.8185 7.8873 7.8873 10.7985 10.7985 10.8169 10.8169 11.3805 11.3805 11.3886 11.3886 11.9570 11.9570 k = 0.2241 0.3882 0.1382 ( 6094 PWs) bands (ev): -4.7428 -4.7428 -4.7407 -4.7407 -4.2744 -4.2744 -4.2711 -4.2711 -3.5250 -3.5250 -3.5209 -3.5209 3.9173 3.9173 3.9178 3.9178 4.3320 4.3320 4.3400 4.3400 4.5938 4.5938 4.6100 4.6100 5.2025 5.2025 5.2343 5.2343 5.5583 5.5583 5.5603 5.5603 6.4761 6.4761 6.5439 6.5439 6.7477 6.7477 6.7786 6.7786 7.1990 7.1990 7.2385 7.2385 7.8379 7.8379 7.9084 7.9084 10.8852 10.8852 10.8960 10.8960 11.4124 11.4124 11.4155 11.4155 11.9634 11.9635 k = 0.2184 0.3783 0.1382 ( 6094 PWs) bands (ev): -4.7704 -4.7704 -4.7682 -4.7682 -4.2768 -4.2768 -4.2732 -4.2732 -3.5404 -3.5404 -3.5369 -3.5369 3.9017 3.9017 3.9036 3.9036 4.3313 4.3313 4.3364 4.3364 4.6199 4.6199 4.6375 4.6375 5.2165 5.2165 5.2486 5.2486 5.5138 5.5138 5.5169 5.5169 6.5111 6.5111 6.5784 6.5784 6.7480 6.7480 6.7818 6.7818 7.1697 7.1697 7.2085 7.2085 7.8622 7.8622 7.9336 7.9336 10.9623 10.9623 10.9650 10.9650 11.4429 11.4429 11.4441 11.4441 11.9700 11.9703 k = 0.2126 0.3683 0.1382 ( 6086 PWs) bands (ev): -4.7987 -4.7987 -4.7965 -4.7965 -4.2804 -4.2804 -4.2765 -4.2765 -3.5554 -3.5554 -3.5525 -3.5525 3.8842 3.8842 3.8878 3.8878 4.3296 4.3296 4.3325 4.3325 4.6544 4.6544 4.6736 4.6736 5.2276 5.2276 5.2599 5.2599 5.4707 5.4707 5.4747 5.4747 6.5429 6.5429 6.6049 6.6049 6.7433 6.7433 6.7844 6.7844 7.1434 7.1434 7.1822 7.1822 7.8908 7.8908 7.9626 7.9626 11.0220 11.0220 11.0272 11.0272 11.4707 11.4707 11.4747 11.4747 11.9768 11.9770 k = 0.2069 0.3584 0.1382 ( 6078 PWs) bands (ev): -4.8279 -4.8279 -4.8256 -4.8256 -4.2852 -4.2852 -4.2809 -4.2809 -3.5701 -3.5701 -3.5678 -3.5678 3.8661 3.8661 3.8708 3.8708 4.3277 4.3277 4.3292 4.3292 4.6954 4.6954 4.7161 4.7161 5.2354 5.2354 5.2676 5.2676 5.4305 5.4305 5.4348 5.4348 6.5657 6.5657 6.6152 6.6152 6.7389 6.7389 6.7944 6.7944 7.1215 7.1215 7.1607 7.1607 7.9229 7.9229 7.9947 7.9947 11.0664 11.0664 11.0782 11.0782 11.4973 11.4973 11.5018 11.5018 11.9798 11.9825 k = 0.2011 0.3484 0.1382 ( 6068 PWs) bands (ev): -4.8577 -4.8577 -4.8555 -4.8555 -4.2911 -4.2911 -4.2866 -4.2866 -3.5841 -3.5841 -3.5824 -3.5824 3.8479 3.8479 3.8533 3.8533 4.3263 4.3263 4.3271 4.3271 4.7405 4.7405 4.7629 4.7629 5.2387 5.2387 5.2698 5.2698 5.3960 5.3960 5.3994 5.3994 6.5706 6.5706 6.6033 6.6033 6.7440 6.7440 6.8178 6.8178 7.1046 7.1046 7.1445 7.1445 7.9580 7.9580 8.0294 8.0294 11.0990 11.0990 11.1156 11.1156 11.5205 11.5205 11.5232 11.5232 11.9819 11.9820 k = 0.1954 0.3384 0.1382 ( 6060 PWs) bands (ev): -4.8883 -4.8883 -4.8860 -4.8860 -4.2983 -4.2983 -4.2936 -4.2936 -3.5975 -3.5975 -3.5963 -3.5963 3.8304 3.8304 3.8359 3.8359 4.3257 4.3257 4.3263 4.3263 4.7876 4.7876 4.8116 4.8116 5.2354 5.2354 5.2621 5.2621 5.3722 5.3722 5.3731 5.3731 6.5527 6.5527 6.5724 6.5724 6.7641 6.7641 6.8521 6.8521 7.0931 7.0931 7.1337 7.1337 7.9955 7.9955 8.0665 8.0665 11.1214 11.1214 11.1408 11.1408 11.5371 11.5371 11.5377 11.5377 11.9853 11.9857 k = 0.1897 0.3285 0.1382 ( 6076 PWs) bands (ev): -4.9194 -4.9194 -4.9171 -4.9171 -4.3067 -4.3067 -4.3018 -4.3018 -3.6102 -3.6102 -3.6095 -3.6095 3.8138 3.8138 3.8191 3.8191 4.3264 4.3264 4.3270 4.3270 4.8341 4.8341 4.8594 4.8594 5.2218 5.2218 5.2408 5.2408 5.3587 5.3587 5.3673 5.3673 6.5173 6.5173 6.5291 6.5291 6.7944 6.7944 6.8904 6.8904 7.0878 7.0878 7.1284 7.1284 8.0348 8.0348 8.1052 8.1052 11.1356 11.1356 11.1561 11.1561 11.5434 11.5434 11.5477 11.5477 11.9889 11.9890 k = 0.1839 0.3185 0.1382 ( 6076 PWs) bands (ev): -4.9510 -4.9510 -4.9488 -4.9488 -4.3163 -4.3163 -4.3113 -4.3113 -3.6220 -3.6220 -3.6218 -3.6218 3.7987 3.7987 3.8036 3.8036 4.3284 4.3284 4.3293 4.3293 4.8771 4.8771 4.9032 4.9032 5.1977 5.1977 5.2097 5.2097 5.3620 5.3620 5.3772 5.3772 6.4715 6.4715 6.4780 6.4780 6.8282 6.8282 6.9259 6.9259 7.0919 7.0919 7.1291 7.1291 8.0754 8.0754 8.1454 8.1454 11.1433 11.1433 11.1635 11.1635 11.5432 11.5432 11.5510 11.5510 11.9912 11.9918 k = 0.1782 0.3086 0.1382 ( 6066 PWs) bands (ev): -4.9830 -4.9830 -4.9809 -4.9809 -4.3271 -4.3271 -4.3219 -4.3219 -3.6332 -3.6332 -3.6330 -3.6330 3.7853 3.7853 3.7897 3.7897 4.3317 4.3317 4.3331 4.3331 4.9137 4.9137 4.9396 4.9396 5.1667 5.1667 5.1742 5.1742 5.3809 5.3809 5.3997 5.3997 6.4197 6.4197 6.4223 6.4223 6.8604 6.8604 6.9512 6.9512 7.1105 7.1105 7.1371 7.1371 8.1168 8.1168 8.1864 8.1864 11.1458 11.1458 11.1649 11.1649 11.5381 11.5381 11.5489 11.5489 11.9912 11.9922 k = 0.1724 0.2986 0.1382 ( 6066 PWs) bands (ev): -5.0154 -5.0154 -5.0133 -5.0133 -4.3389 -4.3389 -4.3337 -4.3337 -3.6437 -3.6437 -3.6431 -3.6431 3.7739 3.7739 3.7776 3.7776 4.3365 4.3365 4.3384 4.3384 4.9414 4.9414 4.9660 4.9660 5.1326 5.1326 5.1375 5.1375 5.4137 5.4137 5.4335 5.4335 6.3640 6.3640 6.3649 6.3649 6.8874 6.8874 6.9627 6.9627 7.1458 7.1458 7.1541 7.1541 8.1586 8.1586 8.2280 8.2280 11.1444 11.1444 11.1617 11.1617 11.5295 11.5295 11.5428 11.5428 11.9889 11.9899 k = 0.1667 0.2887 0.1382 ( 6078 PWs) bands (ev): -5.0480 -5.0480 -5.0460 -5.0460 -4.3518 -4.3518 -4.3466 -4.3466 -3.6532 -3.6532 -3.6524 -3.6524 3.7647 3.7647 3.7678 3.7678 4.3427 4.3427 4.3453 4.3453 4.9590 4.9590 4.9817 4.9817 5.0974 5.0974 5.1008 5.1008 5.4584 5.4584 5.4778 5.4778 6.3050 6.3050 6.3093 6.3093 6.9068 6.9068 6.9637 6.9637 7.1815 7.1815 7.1938 7.1938 8.2005 8.2005 8.2697 8.2697 11.1398 11.1398 11.1549 11.1549 11.5187 11.5187 11.5343 11.5343 11.9833 11.9889 k = 0.1609 0.2787 0.1382 ( 6086 PWs) bands (ev): -5.0808 -5.0808 -5.0789 -5.0789 -4.3656 -4.3656 -4.3605 -4.3605 -3.6618 -3.6618 -3.6607 -3.6607 3.7578 3.7578 3.7602 3.7602 4.3502 4.3502 4.3534 4.3534 4.9669 4.9669 4.9874 4.9874 5.0621 5.0621 5.0649 5.0649 5.5115 5.5115 5.5305 5.5305 6.2470 6.2470 6.2548 6.2548 6.9184 6.9184 6.9590 6.9590 7.2190 7.2190 7.2496 7.2496 8.2421 8.2421 8.3113 8.3113 11.1328 11.1328 11.1456 11.1456 11.5068 11.5068 11.5243 11.5243 11.9756 11.9791 k = 0.1552 0.2688 0.1382 ( 6080 PWs) bands (ev): -5.1137 -5.1137 -5.1119 -5.1119 -4.3803 -4.3803 -4.3753 -4.3753 -3.6696 -3.6696 -3.6683 -3.6683 3.7534 3.7534 3.7551 3.7551 4.3590 4.3590 4.3630 4.3630 4.9659 4.9659 4.9849 4.9849 5.0274 5.0274 5.0305 5.0305 5.5688 5.5688 5.5879 5.5879 6.1921 6.1921 6.2041 6.2041 6.9238 6.9238 6.9516 6.9516 7.2649 7.2649 7.3101 7.3101 8.2830 8.2830 8.3524 8.3524 11.1241 11.1241 11.1345 11.1345 11.4944 11.4944 11.5135 11.5135 11.9661 11.9665 k = 0.1494 0.2588 0.1382 ( 6080 PWs) bands (ev): -5.1465 -5.1465 -5.1448 -5.1448 -4.3956 -4.3956 -4.3909 -4.3909 -3.6765 -3.6765 -3.6751 -3.6751 3.7515 3.7515 3.7526 3.7526 4.3691 4.3691 4.3737 4.3737 4.9570 4.9570 4.9760 4.9760 4.9938 4.9938 4.9984 4.9984 5.6242 5.6242 5.6450 5.6450 6.1435 6.1435 6.1605 6.1605 6.9254 6.9254 6.9433 6.9433 7.3172 7.3172 7.3737 7.3737 8.3229 8.3229 8.3927 8.3927 11.1143 11.1143 11.1223 11.1223 11.4818 11.4818 11.5023 11.5023 11.9532 11.9536 k = 0.1437 0.2489 0.1382 ( 6074 PWs) bands (ev): -5.1791 -5.1791 -5.1775 -5.1775 -4.4116 -4.4116 -4.4071 -4.4071 -3.6826 -3.6826 -3.6811 -3.6811 3.7523 3.7523 3.7527 3.7527 4.3803 4.3803 4.3855 4.3855 4.9402 4.9402 4.9581 4.9581 4.9657 4.9657 4.9707 4.9707 5.6704 5.6704 5.6941 5.6941 6.1069 6.1069 6.1295 6.1295 6.9255 6.9255 6.9356 6.9356 7.3741 7.3741 7.4395 7.4395 8.3617 8.3617 8.4319 8.4319 11.1038 11.1038 11.1097 11.1097 11.4692 11.4692 11.4906 11.4906 11.9382 11.9387 k = 0.1379 0.2389 0.1382 ( 6082 PWs) bands (ev): -5.2115 -5.2115 -5.2100 -5.2100 -4.4281 -4.4281 -4.4239 -4.4239 -3.6880 -3.6880 -3.6864 -3.6864 3.7555 3.7555 3.7556 3.7556 4.3925 4.3925 4.3983 4.3983 4.9158 4.9158 4.9275 4.9275 4.9480 4.9480 4.9482 4.9482 5.6984 5.6984 5.7249 5.7249 6.0901 6.0901 6.1175 6.1175 6.9265 6.9265 6.9302 6.9302 7.4344 7.4344 7.5072 7.5072 8.3990 8.3990 8.4699 8.4699 11.0932 11.0932 11.0971 11.0971 11.4564 11.4564 11.4786 11.4786 11.9216 11.9230 k = 0.1322 0.2289 0.1382 ( 6080 PWs) bands (ev): -5.2435 -5.2435 -5.2422 -5.2422 -4.4450 -4.4450 -4.4411 -4.4411 -3.6927 -3.6927 -3.6912 -3.6912 3.7609 3.7609 3.7616 3.7616 4.4056 4.4056 4.4120 4.4120 4.8880 4.8880 4.8968 4.8968 4.9277 4.9277 4.9299 4.9299 5.7025 5.7025 5.7291 5.7291 6.0991 6.0991 6.1277 6.1277 6.9290 6.9290 6.9309 6.9309 7.4971 7.4971 7.5762 7.5762 8.4348 8.4348 8.5064 8.5064 11.0828 11.0828 11.0850 11.0850 11.4435 11.4435 11.4660 11.4660 11.9044 11.9055 k = 0.1264 0.2190 0.1382 ( 6086 PWs) bands (ev): -5.2751 -5.2751 -5.2739 -5.2739 -4.4622 -4.4622 -4.4585 -4.4585 -3.6968 -3.6968 -3.6953 -3.6953 3.7690 3.7690 3.7701 3.7701 4.4193 4.4193 4.4262 4.4262 4.8597 4.8597 4.8671 4.8671 4.9076 4.9076 4.9105 4.9105 5.6846 5.6846 5.7087 5.7087 6.1290 6.1290 6.1553 6.1553 6.9344 6.9344 6.9416 6.9416 7.5618 7.5618 7.6464 7.6464 8.4687 8.4687 8.5412 8.5412 11.0730 11.0730 11.0736 11.0736 11.4300 11.4300 11.4525 11.4525 11.8854 11.8874 k = 0.1207 0.2090 0.1382 ( 6082 PWs) bands (ev): -5.3060 -5.3060 -5.3050 -5.3050 -4.4794 -4.4794 -4.4761 -4.4761 -3.7004 -3.7004 -3.6990 -3.6990 3.7797 3.7797 3.7811 3.7811 4.4334 4.4334 4.4407 4.4407 4.8320 4.8320 4.8385 4.8385 4.8875 4.8875 4.8908 4.8908 5.6521 5.6521 5.6727 5.6727 6.1673 6.1673 6.1897 6.1897 6.9494 6.9494 6.9617 6.9617 7.6278 7.6278 7.7174 7.7174 8.5007 8.5007 8.5743 8.5743 11.0633 11.0633 11.0639 11.0639 11.4159 11.4159 11.4378 11.4378 11.8654 11.8662 k = 0.1149 0.1991 0.1382 ( 6090 PWs) bands (ev): -5.3363 -5.3363 -5.3354 -5.3354 -4.4967 -4.4967 -4.4937 -4.4937 -3.7035 -3.7035 -3.7022 -3.7022 3.7929 3.7929 3.7946 3.7946 4.4475 4.4475 4.4551 4.4551 4.8053 4.8053 4.8111 4.8111 4.8677 4.8677 4.8714 4.8714 5.6114 5.6114 5.6289 5.6289 6.2030 6.2030 6.2213 6.2213 6.9770 6.9770 6.9943 6.9943 7.6949 7.6949 7.7890 7.7890 8.5307 8.5307 8.6054 8.6054 11.0542 11.0542 11.0557 11.0557 11.4008 11.4008 11.4218 11.4218 11.8443 11.8444 k = 0.1092 0.1891 0.1382 ( 6078 PWs) bands (ev): -5.3659 -5.3659 -5.3650 -5.3650 -4.5139 -4.5139 -4.5113 -4.5113 -3.7062 -3.7062 -3.7050 -3.7050 3.8085 3.8085 3.8105 3.8105 4.4612 4.4612 4.4689 4.4689 4.7800 4.7800 4.7849 4.7849 4.8490 4.8490 4.8530 4.8530 5.5668 5.5668 5.5818 5.5818 6.2293 6.2293 6.2439 6.2439 7.0193 7.0193 7.0414 7.0414 7.7626 7.7626 7.8610 7.8610 8.5587 8.5587 8.6347 8.6347 11.0463 11.0463 11.0484 11.0484 11.3844 11.3844 11.4039 11.4039 11.8212 11.8213 k = 0.1034 0.1792 0.1382 ( 6092 PWs) bands (ev): -5.3945 -5.3945 -5.3937 -5.3937 -4.5309 -4.5309 -4.5286 -4.5286 -3.7085 -3.7085 -3.7074 -3.7074 3.8265 3.8265 3.8286 3.8286 4.4739 4.4739 4.4815 4.4815 4.7559 4.7559 4.7598 4.7598 4.8320 4.8320 4.8366 4.8366 5.5207 5.5207 5.5336 5.5336 6.2431 6.2431 6.2545 6.2545 7.0770 7.0770 7.1033 7.1033 7.8306 7.8306 7.9331 7.9331 8.5846 8.5846 8.6620 8.6620 11.0395 11.0395 11.0419 11.0419 11.3663 11.3663 11.3841 11.3841 11.7963 11.7964 k = 0.0977 0.1692 0.1382 ( 6096 PWs) bands (ev): -5.4222 -5.4222 -5.4215 -5.4215 -4.5476 -4.5476 -4.5456 -4.5456 -3.7105 -3.7105 -3.7096 -3.7096 3.8467 3.8467 3.8489 3.8489 4.4848 4.4848 4.4921 4.4921 4.7331 4.7331 4.7358 4.7358 4.8179 4.8179 4.8231 4.8231 5.4746 5.4746 5.4858 5.4858 6.2440 6.2440 6.2529 6.2529 7.1488 7.1488 7.1785 7.1785 7.8986 7.8986 8.0051 8.0051 8.6084 8.6084 8.6873 8.6873 11.0338 11.0338 11.0363 11.0363 11.3464 11.3464 11.3620 11.3620 11.7693 11.7694 k = 0.0920 0.1593 0.1382 ( 6090 PWs) bands (ev): -5.4488 -5.4488 -5.4482 -5.4482 -4.5639 -4.5639 -4.5622 -4.5622 -3.7123 -3.7123 -3.7114 -3.7114 3.8689 3.8689 3.8711 3.8711 4.4931 4.4931 4.4999 4.4999 4.7115 4.7115 4.7129 4.7129 4.8078 4.8078 4.8134 4.8134 5.4293 5.4293 5.4391 5.4391 6.2336 6.2336 6.2407 6.2407 7.2322 7.2322 7.2648 7.2648 7.9663 7.9663 8.0766 8.0766 8.6302 8.6302 8.7107 8.7107 11.0289 11.0289 11.0312 11.0312 11.3245 11.3245 11.3374 11.3374 11.7401 11.7401 k = 0.0862 0.1493 0.1382 ( 6094 PWs) bands (ev): -5.4742 -5.4742 -5.4737 -5.4737 -4.5797 -4.5797 -4.5783 -4.5783 -3.7138 -3.7138 -3.7131 -3.7131 3.8930 3.8930 3.8952 3.8952 4.4982 4.4982 4.5040 4.5040 4.6907 4.6907 4.6908 4.6908 4.8027 4.8027 4.8085 4.8085 5.3854 5.3854 5.3941 5.3941 6.2140 6.2140 6.2198 6.2198 7.3245 7.3245 7.3592 7.3592 8.0333 8.0333 8.1473 8.1473 8.6501 8.6501 8.7322 8.7322 11.0246 11.0246 11.0264 11.0264 11.3003 11.3003 11.3104 11.3104 11.7089 11.7090 k = 0.0805 0.1394 0.1382 ( 6102 PWs) bands (ev): -5.4984 -5.4984 -5.4980 -5.4980 -4.5950 -4.5950 -4.5937 -4.5937 -3.7151 -3.7151 -3.7145 -3.7145 3.9188 3.9188 3.9209 3.9209 4.4997 4.4997 4.5042 4.5042 4.6695 4.6695 4.6703 4.6703 4.8033 4.8033 4.8089 4.8089 5.3433 5.3433 5.3510 5.3510 6.1872 6.1872 6.1920 6.1920 7.4231 7.4231 7.4595 7.4595 8.0994 8.0994 8.2167 8.2167 8.6681 8.6681 8.7518 8.7518 11.0206 11.0206 11.0217 11.0217 11.2737 11.2737 11.2808 11.2808 11.6764 11.6764 k = 0.0747 0.1294 0.1382 ( 6102 PWs) bands (ev): -5.5213 -5.5213 -5.5210 -5.5210 -4.6095 -4.6095 -4.6085 -4.6085 -3.7163 -3.7163 -3.7157 -3.7157 3.9461 3.9461 3.9480 3.9480 4.4974 4.4974 4.5006 4.5006 4.6486 4.6486 4.6503 4.6503 4.8098 4.8098 4.8149 4.8149 5.3034 5.3034 5.3102 5.3102 6.1550 6.1550 6.1590 6.1590 7.5257 7.5257 7.5635 7.5635 8.1642 8.1642 8.2845 8.2845 8.6844 8.6844 8.7695 8.7695 11.0167 11.0167 11.0167 11.0167 11.2448 11.2448 11.2490 11.2490 11.6431 11.6432 k = 0.0690 0.1195 0.1382 ( 6114 PWs) bands (ev): -5.5428 -5.5428 -5.5426 -5.5426 -4.6233 -4.6233 -4.6225 -4.6225 -3.7173 -3.7173 -3.7168 -3.7168 3.9746 3.9746 3.9764 3.9764 4.4920 4.4920 4.4940 4.4940 4.6281 4.6281 4.6302 4.6302 4.8216 4.8216 4.8261 4.8261 5.2657 5.2657 5.2718 5.2718 6.1188 6.1188 6.1222 6.1222 7.6306 7.6306 7.6692 7.6692 8.2273 8.2273 8.3500 8.3500 8.6992 8.6992 8.7855 8.7855 11.0111 11.0111 11.0124 11.0124 11.2139 11.2139 11.2151 11.2151 11.6098 11.6098 k = 0.0632 0.1095 0.1382 ( 6114 PWs) bands (ev): -5.5629 -5.5629 -5.5627 -5.5627 -4.6362 -4.6362 -4.6356 -4.6356 -3.7181 -3.7181 -3.7178 -3.7178 4.0042 4.0042 4.0058 4.0058 4.4841 4.4841 4.4852 4.4852 4.6079 4.6079 4.6102 4.6102 4.8377 4.8377 4.8415 4.8415 5.2306 5.2306 5.2360 5.2360 6.0798 6.0798 6.0827 6.0827 7.7360 7.7360 7.7752 7.7752 8.2884 8.2884 8.4126 8.4126 8.7127 8.7127 8.7997 8.7997 11.0048 11.0048 11.0075 11.0075 11.1797 11.1797 11.1814 11.1814 11.5771 11.5771 k = 0.0575 0.0995 0.1382 ( 6114 PWs) bands (ev): -5.5814 -5.5814 -5.5812 -5.5812 -4.6483 -4.6483 -4.6478 -4.6478 -3.7189 -3.7189 -3.7186 -3.7186 4.0345 4.0345 4.0359 4.0359 4.4748 4.4748 4.4750 4.4750 4.5878 4.5878 4.5901 4.5901 4.8571 4.8571 4.8604 4.8604 5.1981 5.1981 5.2029 5.2029 6.0391 6.0391 6.0415 6.0415 7.8407 7.8407 7.8797 7.8797 8.3471 8.3471 8.4714 8.4714 8.7252 8.7252 8.8121 8.8121 10.9973 10.9973 11.0018 11.0018 11.1436 11.1436 11.1479 11.1479 11.5452 11.5452 k = 0.0517 0.0896 0.1382 ( 6110 PWs) bands (ev): -5.5983 -5.5983 -5.5982 -5.5982 -4.6594 -4.6594 -4.6591 -4.6591 -3.7195 -3.7195 -3.7193 -3.7193 4.0654 4.0654 4.0665 4.0665 4.4643 4.4643 4.4646 4.4646 4.5677 4.5677 4.5699 4.5699 4.8789 4.8789 4.8817 4.8817 5.1684 5.1684 5.1725 5.1725 5.9975 5.9975 5.9995 5.9995 7.9431 7.9431 7.9814 7.9814 8.4031 8.4031 8.5255 8.5255 8.7371 8.7371 8.8227 8.8227 10.9887 10.9887 10.9949 10.9949 11.1074 11.1074 11.1141 11.1141 11.5144 11.5145 k = 0.0460 0.0796 0.1382 ( 6110 PWs) bands (ev): -5.6136 -5.6136 -5.6135 -5.6135 -4.6695 -4.6695 -4.6693 -4.6693 -3.7201 -3.7201 -3.7200 -3.7200 4.0965 4.0965 4.0973 4.0973 4.4537 4.4537 4.4544 4.4544 4.5476 4.5476 4.5496 4.5496 4.9022 4.9022 4.9047 4.9047 5.1416 5.1416 5.1451 5.1451 5.9561 5.9561 5.9576 5.9576 8.0421 8.0421 8.0787 8.0787 8.4562 8.4562 8.5737 8.5737 8.7492 8.7492 8.8312 8.8312 10.9789 10.9789 10.9868 10.9868 11.0723 11.0723 11.0809 11.0809 11.4849 11.4851 k = 0.0402 0.0697 0.1382 ( 6118 PWs) bands (ev): -5.6272 -5.6272 -5.6272 -5.6272 -4.6786 -4.6786 -4.6784 -4.6784 -3.7206 -3.7206 -3.7205 -3.7205 4.1274 4.1274 4.1281 4.1281 4.4436 4.4436 4.4444 4.4444 4.5275 4.5275 4.5293 4.5293 4.9262 4.9262 4.9283 4.9283 5.1177 5.1177 5.1207 5.1207 5.9156 5.9156 5.9167 5.9167 8.1362 8.1362 8.1699 8.1699 8.5063 8.5063 8.6147 8.6147 8.7620 8.7620 8.8375 8.8375 10.9680 10.9680 10.9773 10.9773 11.0392 11.0392 11.0492 11.0492 11.4567 11.4574 k = 0.0345 0.0597 0.1382 ( 6122 PWs) bands (ev): -5.6391 -5.6391 -5.6391 -5.6391 -4.6865 -4.6865 -4.6864 -4.6864 -3.7210 -3.7210 -3.7209 -3.7209 4.1580 4.1580 4.1584 4.1584 4.4343 4.4343 4.4351 4.4351 4.5073 4.5073 4.5088 4.5088 4.9500 4.9500 4.9519 4.9519 5.0968 5.0968 5.0994 5.0994 5.8770 5.8770 5.8778 5.8778 8.2238 8.2238 8.2532 8.2532 8.5533 8.5533 8.6473 8.6473 8.7761 8.7761 8.8413 8.8413 10.9563 10.9563 10.9662 10.9662 11.0094 11.0094 11.0200 11.0200 11.4304 11.4304 k = 0.0287 0.0498 0.1382 ( 6130 PWs) bands (ev): -5.6493 -5.6493 -5.6492 -5.6492 -4.6933 -4.6933 -4.6932 -4.6932 -3.7214 -3.7214 -3.7213 -3.7213 4.1876 4.1877 4.1879 4.1879 4.4260 4.4260 4.4268 4.4268 4.4872 4.4872 4.4883 4.4883 4.9728 4.9728 4.9744 4.9744 5.0791 5.0791 5.0812 5.0812 5.8413 5.8413 5.8418 5.8418 8.3034 8.3034 8.3269 8.3269 8.5972 8.5972 8.6717 8.6717 8.7910 8.7910 8.8423 8.8423 10.9441 10.9441 10.9534 10.9534 10.9844 10.9844 10.9942 10.9942 11.4061 11.4062 k = 0.0230 0.0398 0.1382 ( 6118 PWs) bands (ev): -5.6576 -5.6576 -5.6576 -5.6576 -4.6989 -4.6989 -4.6989 -4.6989 -3.7216 -3.7216 -3.7216 -3.7216 4.2160 4.2160 4.2161 4.2161 4.4189 4.4189 4.4196 4.4196 4.4673 4.4673 4.4682 4.4682 4.9935 4.9935 4.9949 4.9949 5.0647 5.0647 5.0664 5.0664 5.8096 5.8096 5.8099 5.8099 8.3728 8.3728 8.3893 8.3893 8.6376 8.6376 8.6893 8.6893 8.8049 8.8049 8.8403 8.8403 10.9320 10.9320 10.9387 10.9387 10.9655 10.9655 10.9725 10.9725 11.3846 11.3851 k = 0.0172 0.0299 0.1382 ( 6124 PWs) bands (ev): -5.6641 -5.6641 -5.6641 -5.6641 -4.7033 -4.7033 -4.7033 -4.7033 -3.7218 -3.7218 -3.7218 -3.7218 4.2421 4.2421 4.2422 4.2422 4.4130 4.4130 4.4135 4.4135 4.4484 4.4484 4.4490 4.4490 5.0111 5.0111 5.0121 5.0121 5.0538 5.0538 5.0550 5.0550 5.7831 5.7831 5.7832 5.7832 8.4299 8.4299 8.4391 8.4391 8.6734 8.6734 8.7026 8.7026 8.8156 8.8156 8.8357 8.8357 10.9207 10.9207 10.9242 10.9242 10.9521 10.9521 10.9557 10.9557 11.3669 11.3670 k = 0.0115 0.0199 0.1382 ( 6124 PWs) bands (ev): -5.6687 -5.6687 -5.6687 -5.6687 -4.7064 -4.7064 -4.7064 -4.7064 -3.7220 -3.7220 -3.7220 -3.7220 4.2647 4.2647 4.2647 4.2647 4.4080 4.4080 4.4083 4.4083 4.4319 4.4319 4.4322 4.4322 5.0239 5.0239 5.0245 5.0245 5.0470 5.0470 5.0476 5.0476 5.7630 5.7630 5.7631 5.7631 8.4721 8.4721 8.4755 8.4755 8.7026 8.7026 8.7138 8.7138 8.8216 8.8216 8.8295 8.8295 10.9113 10.9113 10.9124 10.9124 10.9428 10.9428 10.9439 10.9439 11.3535 11.3536 k = 0.0057 0.0100 0.1382 ( 6132 PWs) bands (ev): -5.6716 -5.6716 -5.6716 -5.6716 -4.7083 -4.7083 -4.7083 -4.7083 -3.7221 -3.7221 -3.7221 -3.7221 4.2812 4.2812 4.2812 4.2812 4.4034 4.4034 4.4035 4.4035 4.4208 4.4208 4.4209 4.4209 5.0301 5.0301 5.0302 5.0302 5.0449 5.0449 5.0451 5.0451 5.7505 5.7505 5.7505 5.7505 8.4976 8.4976 8.4981 8.4981 8.7215 8.7215 8.7233 8.7233 8.8230 8.8230 8.8242 8.8242 10.9049 10.9049 10.9050 10.9050 10.9370 10.9370 10.9371 10.9371 11.3452 11.3452 k = 0.0000 0.0000 0.1382 ( 6128 PWs) bands (ev): -5.6725 -5.6725 -5.6725 -5.6725 -4.7089 -4.7089 -4.7089 -4.7089 -3.7221 -3.7221 -3.7221 -3.7221 4.2875 4.2875 4.2875 4.2875 4.4009 4.4009 4.4009 4.4009 4.4172 4.4172 4.4172 4.4172 5.0312 5.0312 5.0312 5.0312 5.0453 5.0453 5.0453 5.0453 5.7462 5.7462 5.7462 5.7462 8.5059 8.5059 8.5059 8.5059 8.7277 8.7277 8.7277 8.7277 8.8225 8.8225 8.8225 8.8225 10.9026 10.9026 10.9026 10.9026 10.9350 10.9350 10.9350 10.9350 11.3424 11.3424 k = 0.5000 0.2887 0.1382 ( 6080 PWs) bands (ev): -4.6293 -4.6293 -4.6293 -4.6293 -4.2804 -4.2804 -4.2804 -4.2804 -3.4576 -3.4576 -3.4576 -3.4576 3.2686 3.2686 3.2686 3.2686 4.4472 4.4472 4.4472 4.4472 4.8782 4.8782 4.8782 4.8782 5.3133 5.3133 5.3133 5.3133 5.5309 5.5309 5.5309 5.5309 6.8181 6.8181 6.8181 6.8181 7.0825 7.0825 7.0825 7.0825 7.4697 7.4697 7.4697 7.4697 7.7280 7.7280 7.7280 7.7280 11.2894 11.2894 11.2894 11.2894 11.3231 11.3231 11.3231 11.3231 12.0360 12.0360 k = 0.5000 0.2887 0.1267 ( 6088 PWs) bands (ev): -4.6313 -4.6313 -4.6272 -4.6272 -4.2810 -4.2810 -4.2798 -4.2798 -3.4578 -3.4578 -3.4573 -3.4573 3.2327 3.2327 3.3063 3.3063 4.4287 4.4287 4.4622 4.4622 4.8700 4.8700 4.8901 4.8901 5.3073 5.3073 5.3192 5.3192 5.5159 5.5159 5.5452 5.5452 6.7410 6.7410 6.8937 6.8937 7.0709 7.0709 7.0978 7.0978 7.4677 7.4677 7.4715 7.4715 7.6925 7.6925 7.7617 7.7617 11.2659 11.2659 11.2947 11.2947 11.3194 11.3194 11.3485 11.3485 12.0281 12.0315 k = 0.5000 0.2887 0.1152 ( 6076 PWs) bands (ev): -4.6333 -4.6333 -4.6252 -4.6252 -4.2816 -4.2816 -4.2792 -4.2792 -3.4580 -3.4580 -3.4571 -3.4571 3.1991 3.1991 3.3454 3.3454 4.4068 4.4068 4.4736 4.4736 4.8654 4.8654 4.9057 4.9057 5.3015 5.3015 5.3250 5.3250 5.5010 5.5010 5.5582 5.5582 6.6656 6.6656 6.9614 6.9614 7.0639 7.0639 7.1192 7.1192 7.4655 7.4655 7.4730 7.4730 7.6560 7.6560 7.7927 7.7927 11.2429 11.2429 11.2743 11.2743 11.3450 11.3450 11.3765 11.3765 12.0093 12.0099 k = 0.5000 0.2887 0.1037 ( 6076 PWs) bands (ev): -4.6352 -4.6352 -4.6232 -4.6232 -4.2822 -4.2822 -4.2786 -4.2786 -3.4582 -3.4582 -3.4569 -3.4569 3.1679 3.1679 3.3857 3.3857 4.3821 4.3821 4.4817 4.4817 4.8640 4.8640 4.9247 4.9247 5.2958 5.2958 5.3305 5.3305 5.4865 5.4865 5.5689 5.5689 6.5938 6.5938 7.0045 7.0045 7.0686 7.0686 7.1543 7.1543 7.4632 7.4632 7.4740 7.4740 7.6196 7.6196 7.8201 7.8201 11.2213 11.2213 11.2548 11.2548 11.3734 11.3734 11.4064 11.4064 11.9825 11.9826 k = 0.5000 0.2887 0.0922 ( 6078 PWs) bands (ev): -4.6371 -4.6371 -4.6214 -4.6214 -4.2827 -4.2827 -4.2781 -4.2781 -3.4585 -3.4585 -3.4567 -3.4567 3.1393 3.1393 3.4264 3.4264 4.3550 4.3550 4.4869 4.4869 4.8651 4.8651 4.9469 4.9469 5.2904 5.2904 5.3358 5.3358 5.4730 5.4730 5.5767 5.5767 6.5273 6.5273 7.0137 7.0137 7.0866 7.0866 7.2094 7.2094 7.4608 7.4608 7.4745 7.4745 7.5843 7.5843 7.8434 7.8434 11.2012 11.2012 11.2374 11.2374 11.4035 11.4035 11.4378 11.4378 11.9469 11.9470 k = 0.5000 0.2887 0.0806 ( 6086 PWs) bands (ev): -4.6387 -4.6387 -4.6197 -4.6197 -4.2832 -4.2832 -4.2776 -4.2776 -3.4587 -3.4587 -3.4566 -3.4566 3.1137 3.1137 3.4670 3.4670 4.3262 4.3262 4.4897 4.4897 4.8681 4.8681 4.9715 4.9715 5.2853 5.2853 5.3407 5.3407 5.4606 5.4606 5.5807 5.5807 6.4674 6.4674 7.0099 7.0099 7.1032 7.1032 7.2769 7.2769 7.4584 7.4584 7.4737 7.4737 7.5516 7.5516 7.8616 7.8616 11.1828 11.1828 11.2221 11.2221 11.4350 11.4350 11.4706 11.4706 11.9033 11.9033 k = 0.5000 0.2887 0.0691 ( 6096 PWs) bands (ev): -4.6403 -4.6403 -4.6181 -4.6181 -4.2837 -4.2837 -4.2771 -4.2771 -3.4588 -3.4588 -3.4564 -3.4564 3.0912 3.0912 3.5068 3.5068 4.2967 4.2967 4.4910 4.4910 4.8721 4.8721 4.9979 4.9979 5.2806 5.2806 5.3451 5.3451 5.4497 5.4497 5.5803 5.5803 6.4154 6.4154 7.0036 7.0036 7.1160 7.1160 7.3468 7.3468 7.4561 7.4561 7.4706 7.4706 7.5239 7.5239 7.8745 7.8745 11.1664 11.1664 11.2090 11.2090 11.4680 11.4680 11.5047 11.5047 11.8567 11.8567 k = 0.5000 0.2887 0.0576 ( 6084 PWs) bands (ev): -4.6416 -4.6416 -4.6167 -4.6167 -4.2841 -4.2841 -4.2767 -4.2767 -3.4590 -3.4590 -3.4563 -3.4563 3.0718 3.0718 3.5447 3.5447 4.2675 4.2675 4.4910 4.4910 4.8765 4.8765 5.0252 5.0252 5.2764 5.2764 5.3489 5.3489 5.4404 5.4404 5.5754 5.5754 6.3719 6.3719 6.9973 6.9973 7.1262 7.1262 7.4122 7.4122 7.4541 7.4541 7.4638 7.4638 7.5054 7.5054 7.8816 7.8816 11.1522 11.1522 11.1981 11.1981 11.5021 11.5021 11.5398 11.5398 11.8120 11.8120 k = 0.5000 0.2887 0.0461 ( 6098 PWs) bands (ev): -4.6427 -4.6427 -4.6156 -4.6156 -4.2844 -4.2844 -4.2764 -4.2764 -3.4591 -3.4591 -3.4562 -3.4562 3.0559 3.0559 3.5795 3.5795 4.2398 4.2398 4.4905 4.4905 4.8808 4.8808 5.0519 5.0519 5.2728 5.2728 5.3520 5.3520 5.4327 5.4327 5.5668 5.5668 6.3373 6.3373 6.9916 6.9916 7.1344 7.1344 7.4370 7.4370 7.4526 7.4526 7.4840 7.4840 7.4988 7.4988 7.8830 7.8830 11.1402 11.1402 11.1891 11.1891 11.5372 11.5372 11.5759 11.5759 11.7722 11.7722 k = 0.5000 0.2887 0.0346 ( 6096 PWs) bands (ev): -4.6436 -4.6436 -4.6146 -4.6146 -4.2847 -4.2847 -4.2761 -4.2761 -3.4593 -3.4593 -3.4561 -3.4561 3.0433 3.0433 3.6097 3.6097 4.2151 4.2151 4.4897 4.4897 4.8845 4.8845 5.0766 5.0766 5.2698 5.2698 5.3543 5.3543 5.4267 5.4267 5.5559 5.5559 6.3115 6.3115 6.9870 6.9870 7.1408 7.1408 7.4236 7.4236 7.4508 7.4508 7.4922 7.4922 7.5400 7.5400 7.8794 7.8794 11.1308 11.1308 11.1822 11.1822 11.5728 11.5728 11.6124 11.6124 11.7393 11.7393 k = 0.5000 0.2887 0.0230 ( 6086 PWs) bands (ev): -4.6442 -4.6442 -4.6140 -4.6140 -4.2849 -4.2849 -4.2759 -4.2759 -3.4593 -3.4593 -3.4560 -3.4560 3.0343 3.0343 3.6334 3.6334 4.1954 4.1954 4.4889 4.4889 4.8874 4.8874 5.0970 5.0970 5.2676 5.2676 5.3559 5.3559 5.4223 5.4223 5.5452 5.5452 6.2938 6.2938 6.9836 6.9836 7.1454 7.1454 7.4107 7.4107 7.4496 7.4496 7.4912 7.4912 7.5842 7.5842 7.8726 7.8726 11.1240 11.1240 11.1773 11.1773 11.6083 11.6083 11.6484 11.6484 11.7140 11.7140 k = 0.5000 0.2887 0.0115 ( 6074 PWs) bands (ev): -4.6446 -4.6446 -4.6135 -4.6135 -4.2850 -4.2850 -4.2758 -4.2758 -3.4594 -3.4594 -3.4560 -3.4560 3.0289 3.0289 3.6486 3.6486 4.1825 4.1825 4.4884 4.4884 4.8892 4.8892 5.1106 5.1106 5.2662 5.2662 5.3568 5.3568 5.4197 5.4197 5.5372 5.5372 6.2836 6.2836 6.9815 6.9815 7.1482 7.1482 7.4023 7.4023 7.4488 7.4488 7.4908 7.4908 7.6143 7.6143 7.8656 7.8656 11.1198 11.1198 11.1743 11.1743 11.6421 11.6421 11.6802 11.6802 11.6951 11.6951 k = 0.5000 0.2887-0.0000 ( 6058 PWs) bands (ev): -4.6448 -4.6448 -4.6134 -4.6134 -4.2850 -4.2850 -4.2758 -4.2758 -3.4594 -3.4594 -3.4559 -3.4559 3.0271 3.0271 3.6539 3.6539 4.1780 4.1780 4.4882 4.4882 4.8898 4.8898 5.1155 5.1155 5.2657 5.2657 5.3570 5.3570 5.4188 5.4188 5.5342 5.5342 6.2803 6.2803 6.9808 6.9808 7.1492 7.1492 7.3994 7.3994 7.4486 7.4486 7.4907 7.4907 7.6251 7.6251 7.8626 7.8626 11.1185 11.1185 11.1734 11.1734 11.6650 11.6650 11.6802 11.6802 11.6960 11.6961 k = 0.3333 0.5774-0.0000 ( 6066 PWs) bands (ev): -4.4194 -4.4194 -4.4068 -4.4068 -4.3647 -4.3647 -4.3524 -4.3524 -3.3389 -3.3389 -3.3290 -3.3290 3.8255 3.8255 3.8856 3.8856 4.5602 4.5602 4.5673 4.5673 4.9618 4.9618 5.1190 5.1190 5.1321 5.1321 5.1379 5.1379 5.2372 5.2372 5.2787 5.2787 6.2465 6.2465 6.2534 6.2534 6.4104 6.4104 6.4223 6.4223 7.4819 7.4819 7.5888 7.5888 7.9274 7.9274 8.0582 8.0582 9.4183 9.4183 10.2107 10.2107 10.3913 10.3913 11.3366 11.3366 11.6333 11.6333 k = 0.3333 0.5774 0.0115 ( 6075 PWs) bands (ev): -4.4194 -4.4194 -4.4068 -4.4068 -4.3646 -4.3646 -4.3525 -4.3525 -3.3389 -3.3389 -3.3290 -3.3290 3.8272 3.8272 3.8873 3.8873 4.5602 4.5602 4.5673 4.5673 4.9338 4.9338 5.0497 5.0497 5.1577 5.1577 5.2087 5.2087 5.2382 5.2382 5.2818 5.2818 6.2455 6.2455 6.2526 6.2526 6.4098 6.4098 6.4217 6.4217 7.4792 7.4792 7.5858 7.5858 7.9278 7.9278 8.0575 8.0575 9.4203 9.4203 10.1948 10.1948 10.4076 10.4076 11.3334 11.3334 11.6375 11.6375 k = 0.3333 0.5774 0.0230 ( 6105 PWs) bands (ev): -4.4192 -4.4192 -4.4070 -4.4070 -4.3645 -4.3645 -4.3526 -4.3526 -3.3389 -3.3389 -3.3290 -3.3290 3.8323 3.8323 3.8924 3.8924 4.5601 4.5601 4.5673 4.5673 4.8758 4.8758 4.9738 4.9738 5.2007 5.2007 5.2424 5.2424 5.2891 5.2891 5.2971 5.2971 6.2425 6.2425 6.2501 6.2501 6.4081 6.4081 6.4199 6.4199 7.4714 7.4714 7.5770 7.5770 7.9292 7.9292 8.0555 8.0555 9.4265 9.4265 10.1576 10.1576 10.4461 10.4461 11.3239 11.3239 11.6497 11.6497 k = 0.3333 0.5774 0.0346 ( 6102 PWs) bands (ev): -4.4190 -4.4190 -4.4072 -4.4072 -4.3643 -4.3643 -4.3528 -4.3528 -3.3389 -3.3389 -3.3290 -3.3290 3.8407 3.8407 3.9007 3.9007 4.5600 4.5600 4.5673 4.5673 4.8107 4.8107 4.9001 4.9001 5.2218 5.2218 5.2503 5.2503 5.3408 5.3408 5.3702 5.3702 6.2373 6.2373 6.2458 6.2458 6.4054 6.4054 6.4170 6.4170 7.4588 7.4588 7.5630 7.5630 7.9315 7.9315 8.0522 8.0522 9.4367 9.4367 10.1119 10.1119 10.4940 10.4940 11.3084 11.3084 11.6695 11.6695 k = 0.3333 0.5774 0.0461 ( 6114 PWs) bands (ev): -4.4187 -4.4187 -4.4075 -4.4075 -4.3639 -4.3639 -4.3532 -4.3532 -3.3389 -3.3389 -3.3290 -3.3290 3.8521 3.8521 3.9122 3.9122 4.5599 4.5599 4.5671 4.5671 4.7451 4.7451 4.8295 4.8295 5.2272 5.2272 5.2552 5.2552 5.4069 5.4069 5.4511 5.4511 6.2294 6.2294 6.2391 6.2391 6.4017 6.4017 6.4132 6.4132 7.4424 7.4424 7.5446 7.5446 7.9346 7.9346 8.0478 8.0478 9.4508 9.4508 10.0632 10.0632 10.5458 10.5458 11.2873 11.2873 11.6957 11.6957 k = 0.3333 0.5774 0.0576 ( 6120 PWs) bands (ev): -4.4183 -4.4183 -4.4079 -4.4079 -4.3636 -4.3636 -4.3535 -4.3535 -3.3388 -3.3388 -3.3290 -3.3290 3.8663 3.8663 3.9264 3.9264 4.5598 4.5598 4.5667 4.5667 4.6817 4.6817 4.7625 4.7625 5.2290 5.2290 5.2573 5.2573 5.4802 5.4802 5.5313 5.5313 6.2185 6.2185 6.2298 6.2298 6.3974 6.3974 6.4086 6.4086 7.4232 7.4232 7.5229 7.5229 7.9386 7.9386 8.0424 8.0424 9.4687 9.4687 10.0136 10.0136 10.5994 10.5994 11.2611 11.2611 11.7270 11.7270 k = 0.3333 0.5774 0.0691 ( 6117 PWs) bands (ev): -4.4178 -4.4178 -4.4084 -4.4084 -4.3631 -4.3631 -4.3540 -4.3540 -3.3388 -3.3388 -3.3291 -3.3291 3.8828 3.8828 3.9428 3.9428 4.5597 4.5597 4.5650 4.5650 4.6229 4.6229 4.6998 4.6998 5.2300 5.2300 5.2582 5.2582 5.5550 5.5550 5.6100 5.6100 6.2039 6.2039 6.2171 6.2171 6.3926 6.3926 6.4038 6.4038 7.4024 7.4024 7.4995 7.4995 7.9434 7.9434 8.0361 8.0361 9.4901 9.4901 9.9641 9.9641 10.6537 10.6537 11.2303 11.2303 11.7616 11.7616 k = 0.3333 0.5774 0.0806 ( 6096 PWs) bands (ev): -4.4173 -4.4173 -4.4089 -4.4089 -4.3626 -4.3626 -4.3545 -4.3545 -3.3388 -3.3388 -3.3291 -3.3291 3.9009 3.9009 3.9609 3.9609 4.5517 4.5517 4.5596 4.5596 4.5802 4.5802 4.6423 4.6423 5.2306 5.2306 5.2586 5.2586 5.6289 5.6289 5.6864 5.6864 6.1850 6.1850 6.2002 6.2002 6.3878 6.3878 6.3989 6.3989 7.3815 7.3815 7.4758 7.4758 7.9489 7.9489 8.0290 8.0290 9.5150 9.5150 9.9154 9.9154 10.7081 10.7081 11.1954 11.1954 11.7974 11.7974 k = 0.3333 0.5774 0.0922 ( 6096 PWs) bands (ev): -4.4168 -4.4168 -4.4094 -4.4094 -4.3620 -4.3620 -4.3551 -4.3551 -3.3388 -3.3388 -3.3291 -3.3291 3.9198 3.9198 3.9796 3.9796 4.5097 4.5097 4.5595 4.5595 4.5722 4.5722 4.5911 4.5911 5.2310 5.2310 5.2587 5.2587 5.7002 5.7002 5.7595 5.7595 6.1616 6.1616 6.1786 6.1786 6.3833 6.3833 6.3944 6.3944 7.3619 7.3619 7.4535 7.4535 7.9550 7.9550 8.0215 8.0215 9.5428 9.5428 9.8679 9.8679 10.7621 10.7621 11.1570 11.1570 11.8319 11.8320 k = 0.3333 0.5774 0.1037 ( 6087 PWs) bands (ev): -4.4163 -4.4163 -4.4100 -4.4100 -4.3615 -4.3615 -4.3556 -4.3556 -3.3387 -3.3387 -3.3292 -3.3292 3.9378 3.9378 3.9975 3.9975 4.4684 4.4684 4.5478 4.5478 4.5594 4.5594 4.5709 4.5709 5.2313 5.2313 5.2588 5.2588 5.7669 5.7669 5.8282 5.8282 6.1338 6.1338 6.1519 6.1519 6.3795 6.3795 6.3907 6.3907 7.3450 7.3450 7.4341 7.4341 7.9615 7.9615 8.0137 8.0137 9.5734 9.5734 9.8221 9.8221 10.8154 10.8154 11.1158 11.1158 11.8627 11.8627 k = 0.3333 0.5774 0.1152 ( 6099 PWs) bands (ev): -4.4158 -4.4158 -4.4105 -4.4105 -4.3610 -4.3610 -4.3561 -4.3561 -3.3387 -3.3387 -3.3292 -3.3292 3.9533 3.9533 4.0127 4.0127 4.4358 4.4358 4.5144 4.5144 4.5593 4.5593 4.5706 4.5706 5.2316 5.2316 5.2588 5.2588 5.8262 5.8262 5.8907 5.8907 6.1032 6.1032 6.1204 6.1204 6.3766 6.3766 6.3879 6.3879 7.3319 7.3319 7.4191 7.4191 7.9683 7.9683 8.0059 8.0059 9.6058 9.6058 9.7787 9.7787 10.8674 10.8674 11.0723 11.0723 11.8870 11.8870 k = 0.3333 0.5774 0.1267 ( 6108 PWs) bands (ev): -4.4154 -4.4154 -4.4108 -4.4108 -4.3606 -4.3606 -4.3565 -4.3565 -3.3387 -3.3387 -3.3292 -3.3292 3.9639 3.9639 4.0231 4.0231 4.4147 4.4147 4.4930 4.4930 4.5593 4.5593 4.5704 4.5704 5.2317 5.2317 5.2587 5.2587 5.8721 5.8721 5.9427 5.9427 6.0749 6.0749 6.0874 6.0874 6.3749 6.3749 6.3861 6.3861 7.3237 7.3237 7.4096 7.4096 7.9746 7.9746 7.9991 7.9991 9.6379 9.6379 9.7401 9.7401 10.9163 10.9163 11.0284 11.0284 11.9027 11.9027 k = 0.3333 0.5774 0.1382 ( 6108 PWs) bands (ev): -4.4153 -4.4153 -4.4109 -4.4109 -4.3605 -4.3605 -4.3566 -4.3566 -3.3387 -3.3387 -3.3292 -3.3292 3.9677 3.9677 4.0269 4.0269 4.4074 4.4074 4.4856 4.4856 4.5593 4.5593 4.5704 4.5704 5.2317 5.2317 5.2587 5.2587 5.8912 5.8912 5.9678 5.9678 6.0617 6.0617 6.0688 6.0688 6.3743 6.3743 6.3856 6.3856 7.3209 7.3209 7.4064 7.4064 7.9778 7.9778 7.9957 7.9957 9.6567 9.6567 9.7192 9.7192 10.9472 10.9472 10.9991 10.9991 11.9081 11.9081 Writing output data file Zr2SeN2.save init_run : 0.14s CPU 0.28s WALL ( 1 calls) electrons : 390.10s CPU 395.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 390.10s CPU 395.62s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.09s WALL ( 319 calls) cegterg : 367.87s CPU 372.61s WALL ( 1215 calls) Called by sum_band: Called by *egterg: h_psi : 160.81s CPU 163.78s WALL ( 23151 calls) s_psi : 7.38s CPU 7.45s WALL ( 23151 calls) g_psi : 0.58s CPU 0.64s WALL ( 21617 calls) cdiaghg : 164.06s CPU 164.98s WALL ( 21936 calls) cegterg:over : 17.53s CPU 17.85s WALL ( 21617 calls) cegterg:upda : 20.06s CPU 20.75s WALL ( 21617 calls) cegterg:last : 7.16s CPU 7.18s WALL ( 2191 calls) cdiaghg:chol : 9.27s CPU 9.33s WALL ( 21936 calls) cdiaghg:inve : 6.45s CPU 6.32s WALL ( 21936 calls) cdiaghg:para : 9.51s CPU 9.61s WALL ( 43872 calls) Called by h_psi: h_psi:vloc : 135.82s CPU 138.41s WALL ( 23151 calls) h_psi:vnl : 24.18s CPU 24.55s WALL ( 23151 calls) add_vuspsi : 10.28s CPU 10.43s WALL ( 23151 calls) General routines calbec : 13.81s CPU 14.06s WALL ( 23151 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 125.39s CPU 127.67s WALL ( 1558448 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.32s WALL ( 638 calls) Parallel routines fft_scatter : 51.73s CPU 52.55s WALL ( 1558471 calls) PWSCF : 6m50.43s CPU 7m13.82s WALL This run was terminated on: 21: 2:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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