Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13: 0: 6 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: ./ZrSiCuAs.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 21 6 1481 1144 185 Max 26 22 8 1495 1167 195 Sum 901 769 233 53597 41617 6781 bravais-lattice index = 14 lattice parameter (alat) = 6.9421 a.u. unit-cell volume = 871.6590 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.942097 celldm(2)= 1.000000 celldm(3)= 2.605401 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.605401 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.383818 ) 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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) As 5.00 74.92160 As( 1.00) Cu 11.00 63.54600 Cu( 1.00) Si 4.00 28.08550 Si( 1.00) 16 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0028249 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0028249 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0028249 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0028249 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0028249 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028249 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0028249 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028249 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0028249 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0028249 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0028249 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0028249 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0028249 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0028249 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0028249 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0028249 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0028249 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0028249 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0028249 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0028249 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0028249 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028249 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0028249 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0028249 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028249 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0028249 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0028249 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0028249 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0028249 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028249 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0028249 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0028249 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0028249 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0028249 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0028249 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0028249 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0028249 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0028249 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028249 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0028249 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0028249 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0028249 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0028249 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0028249 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0028249 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0028249 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0028249 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0028249 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0028249 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0028249 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0028249 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0028249 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0028249 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0028249 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0028249 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0028249 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0028249 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0028249 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028249 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028249 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028249 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028249 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028249 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0028249 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0028249 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028249 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0028249 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0028249 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0028249 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028249 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0028249 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0028249 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028249 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0028249 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028249 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0028249 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0028249 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0028249 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0028249 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0028249 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0028249 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0028249 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0028249 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0028249 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0028249 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0028249 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0028249 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0028249 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0028249 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0028249 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0028249 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0028249 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0028249 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0028249 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0028249 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0028249 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0028249 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0028249 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0028249 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0028249 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0028249 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0028249 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0028249 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0028249 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0028249 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0028249 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0028249 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0028249 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0028249 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0028249 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0028249 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0028249 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0028249 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0028249 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0028249 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0028249 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0028249 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0028249 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0028249 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0028249 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0028249 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0028249 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0028249 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0028249 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0028249 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0028249 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0028249 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0028249 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0028249 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0028249 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0028249 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0028249 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0028249 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0028249 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0028249 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.0112888), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.0225775), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.0338663), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.0451551), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.0564438), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.0677326), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.0790214), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.0903101), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.1015989), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.1128877), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.1241765), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.1354652), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.1467540), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.1580428), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.1693315), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.1806203), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.1919091), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.1919091), wk = 0.0028249 k( 170) = ( 0.0000000 0.0116279 0.1919091), wk = 0.0028249 k( 171) = ( 0.0000000 0.0232558 0.1919091), wk = 0.0028249 k( 172) = ( 0.0000000 0.0348837 0.1919091), wk = 0.0028249 k( 173) = ( 0.0000000 0.0465116 0.1919091), wk = 0.0028249 k( 174) = ( 0.0000000 0.0581395 0.1919091), wk = 0.0028249 k( 175) = ( 0.0000000 0.0697674 0.1919091), wk = 0.0028249 k( 176) = ( 0.0000000 0.0813954 0.1919091), wk = 0.0028249 k( 177) = ( 0.0000000 0.0930233 0.1919091), wk = 0.0028249 k( 178) = ( 0.0000000 0.1046512 0.1919091), wk = 0.0028249 k( 179) = ( 0.0000000 0.1162791 0.1919091), wk = 0.0028249 k( 180) = ( 0.0000000 0.1279070 0.1919091), wk = 0.0028249 k( 181) = ( 0.0000000 0.1395349 0.1919091), wk = 0.0028249 k( 182) = ( 0.0000000 0.1511628 0.1919091), wk = 0.0028249 k( 183) = ( 0.0000000 0.1627907 0.1919091), wk = 0.0028249 k( 184) = ( 0.0000000 0.1744186 0.1919091), wk = 0.0028249 k( 185) = ( 0.0000000 0.1860465 0.1919091), wk = 0.0028249 k( 186) = ( 0.0000000 0.1976744 0.1919091), wk = 0.0028249 k( 187) = ( 0.0000000 0.2093023 0.1919091), wk = 0.0028249 k( 188) = ( 0.0000000 0.2209302 0.1919091), wk = 0.0028249 k( 189) = ( 0.0000000 0.2325581 0.1919091), wk = 0.0028249 k( 190) = ( 0.0000000 0.2441860 0.1919091), wk = 0.0028249 k( 191) = ( 0.0000000 0.2558140 0.1919091), wk = 0.0028249 k( 192) = ( 0.0000000 0.2674419 0.1919091), wk = 0.0028249 k( 193) = ( 0.0000000 0.2790698 0.1919091), wk = 0.0028249 k( 194) = ( 0.0000000 0.2906977 0.1919091), wk = 0.0028249 k( 195) = ( 0.0000000 0.3023256 0.1919091), wk = 0.0028249 k( 196) = ( 0.0000000 0.3139535 0.1919091), wk = 0.0028249 k( 197) = ( 0.0000000 0.3255814 0.1919091), wk = 0.0028249 k( 198) = ( 0.0000000 0.3372093 0.1919091), wk = 0.0028249 k( 199) = ( 0.0000000 0.3488372 0.1919091), wk = 0.0028249 k( 200) = ( 0.0000000 0.3604651 0.1919091), wk = 0.0028249 k( 201) = ( 0.0000000 0.3720930 0.1919091), wk = 0.0028249 k( 202) = ( 0.0000000 0.3837209 0.1919091), wk = 0.0028249 k( 203) = ( 0.0000000 0.3953488 0.1919091), wk = 0.0028249 k( 204) = ( 0.0000000 0.4069767 0.1919091), wk = 0.0028249 k( 205) = ( 0.0000000 0.4186047 0.1919091), wk = 0.0028249 k( 206) = ( 0.0000000 0.4302326 0.1919091), wk = 0.0028249 k( 207) = ( 0.0000000 0.4418605 0.1919091), wk = 0.0028249 k( 208) = ( 0.0000000 0.4534884 0.1919091), wk = 0.0028249 k( 209) = ( 0.0000000 0.4651163 0.1919091), wk = 0.0028249 k( 210) = ( 0.0000000 0.4767442 0.1919091), wk = 0.0028249 k( 211) = ( 0.0000000 0.4883721 0.1919091), wk = 0.0028249 k( 212) = ( 0.0000000 0.5000000 0.1919091), wk = 0.0028249 k( 213) = ( 0.0000000 0.5000000 0.1919091), wk = 0.0028249 k( 214) = ( 0.0116279 0.5000000 0.1919091), wk = 0.0028249 k( 215) = ( 0.0232558 0.5000000 0.1919091), wk = 0.0028249 k( 216) = ( 0.0348837 0.5000000 0.1919091), wk = 0.0028249 k( 217) = ( 0.0465116 0.5000000 0.1919091), wk = 0.0028249 k( 218) = ( 0.0581395 0.5000000 0.1919091), wk = 0.0028249 k( 219) = ( 0.0697674 0.5000000 0.1919091), wk = 0.0028249 k( 220) = ( 0.0813954 0.5000000 0.1919091), wk = 0.0028249 k( 221) = ( 0.0930233 0.5000000 0.1919091), wk = 0.0028249 k( 222) = ( 0.1046512 0.5000000 0.1919091), wk = 0.0028249 k( 223) = ( 0.1162791 0.5000000 0.1919091), wk = 0.0028249 k( 224) = ( 0.1279070 0.5000000 0.1919091), wk = 0.0028249 k( 225) = ( 0.1395349 0.5000000 0.1919091), wk = 0.0028249 k( 226) = ( 0.1511628 0.5000000 0.1919091), wk = 0.0028249 k( 227) = ( 0.1627907 0.5000000 0.1919091), wk = 0.0028249 k( 228) = ( 0.1744186 0.5000000 0.1919091), wk = 0.0028249 k( 229) = ( 0.1860465 0.5000000 0.1919091), wk = 0.0028249 k( 230) = ( 0.1976744 0.5000000 0.1919091), wk = 0.0028249 k( 231) = ( 0.2093023 0.5000000 0.1919091), wk = 0.0028249 k( 232) = ( 0.2209302 0.5000000 0.1919091), wk = 0.0028249 k( 233) = ( 0.2325581 0.5000000 0.1919091), wk = 0.0028249 k( 234) = ( 0.2441860 0.5000000 0.1919091), wk = 0.0028249 k( 235) = ( 0.2558140 0.5000000 0.1919091), wk = 0.0028249 k( 236) = ( 0.2674419 0.5000000 0.1919091), wk = 0.0028249 k( 237) = ( 0.2790698 0.5000000 0.1919091), wk = 0.0028249 k( 238) = ( 0.2906977 0.5000000 0.1919091), wk = 0.0028249 k( 239) = ( 0.3023256 0.5000000 0.1919091), wk = 0.0028249 k( 240) = ( 0.3139535 0.5000000 0.1919091), wk = 0.0028249 k( 241) = ( 0.3255814 0.5000000 0.1919091), wk = 0.0028249 k( 242) = ( 0.3372093 0.5000000 0.1919091), wk = 0.0028249 k( 243) = ( 0.3488372 0.5000000 0.1919091), wk = 0.0028249 k( 244) = ( 0.3604651 0.5000000 0.1919091), wk = 0.0028249 k( 245) = ( 0.3720930 0.5000000 0.1919091), wk = 0.0028249 k( 246) = ( 0.3837209 0.5000000 0.1919091), wk = 0.0028249 k( 247) = ( 0.3953488 0.5000000 0.1919091), wk = 0.0028249 k( 248) = ( 0.4069767 0.5000000 0.1919091), wk = 0.0028249 k( 249) = ( 0.4186047 0.5000000 0.1919091), wk = 0.0028249 k( 250) = ( 0.4302326 0.5000000 0.1919091), wk = 0.0028249 k( 251) = ( 0.4418605 0.5000000 0.1919091), wk = 0.0028249 k( 252) = ( 0.4534884 0.5000000 0.1919091), wk = 0.0028249 k( 253) = ( 0.4651163 0.5000000 0.1919091), wk = 0.0028249 k( 254) = ( 0.4767442 0.5000000 0.1919091), wk = 0.0028249 k( 255) = ( 0.4883721 0.5000000 0.1919091), wk = 0.0028249 k( 256) = ( 0.5000000 0.5000000 0.1919091), wk = 0.0028249 k( 257) = ( 0.5000000 0.5000000 0.1919091), wk = 0.0028249 k( 258) = ( 0.4918033 0.4918033 0.1919091), wk = 0.0028249 k( 259) = ( 0.4836066 0.4836066 0.1919091), wk = 0.0028249 k( 260) = ( 0.4754098 0.4754098 0.1919091), wk = 0.0028249 k( 261) = ( 0.4672131 0.4672131 0.1919091), wk = 0.0028249 k( 262) = ( 0.4590164 0.4590164 0.1919091), wk = 0.0028249 k( 263) = ( 0.4508197 0.4508197 0.1919091), wk = 0.0028249 k( 264) = ( 0.4426230 0.4426229 0.1919091), wk = 0.0028249 k( 265) = ( 0.4344262 0.4344262 0.1919091), wk = 0.0028249 k( 266) = ( 0.4262295 0.4262295 0.1919091), wk = 0.0028249 k( 267) = ( 0.4180328 0.4180328 0.1919091), wk = 0.0028249 k( 268) = ( 0.4098361 0.4098361 0.1919091), wk = 0.0028249 k( 269) = ( 0.4016393 0.4016393 0.1919091), wk = 0.0028249 k( 270) = ( 0.3934426 0.3934426 0.1919091), wk = 0.0028249 k( 271) = ( 0.3852459 0.3852459 0.1919091), wk = 0.0028249 k( 272) = ( 0.3770492 0.3770492 0.1919091), wk = 0.0028249 k( 273) = ( 0.3688525 0.3688525 0.1919091), wk = 0.0028249 k( 274) = ( 0.3606557 0.3606557 0.1919091), wk = 0.0028249 k( 275) = ( 0.3524590 0.3524590 0.1919091), wk = 0.0028249 k( 276) = ( 0.3442623 0.3442623 0.1919091), wk = 0.0028249 k( 277) = ( 0.3360656 0.3360656 0.1919091), wk = 0.0028249 k( 278) = ( 0.3278688 0.3278688 0.1919091), wk = 0.0028249 k( 279) = ( 0.3196721 0.3196721 0.1919091), wk = 0.0028249 k( 280) = ( 0.3114754 0.3114754 0.1919091), wk = 0.0028249 k( 281) = ( 0.3032787 0.3032787 0.1919091), wk = 0.0028249 k( 282) = ( 0.2950820 0.2950820 0.1919091), wk = 0.0028249 k( 283) = ( 0.2868852 0.2868852 0.1919091), wk = 0.0028249 k( 284) = ( 0.2786885 0.2786885 0.1919091), wk = 0.0028249 k( 285) = ( 0.2704918 0.2704918 0.1919091), wk = 0.0028249 k( 286) = ( 0.2622951 0.2622951 0.1919091), wk = 0.0028249 k( 287) = ( 0.2540984 0.2540984 0.1919091), wk = 0.0028249 k( 288) = ( 0.2459016 0.2459016 0.1919091), wk = 0.0028249 k( 289) = ( 0.2377049 0.2377049 0.1919091), wk = 0.0028249 k( 290) = ( 0.2295082 0.2295082 0.1919091), wk = 0.0028249 k( 291) = ( 0.2213115 0.2213115 0.1919091), wk = 0.0028249 k( 292) = ( 0.2131147 0.2131147 0.1919091), wk = 0.0028249 k( 293) = ( 0.2049180 0.2049180 0.1919091), wk = 0.0028249 k( 294) = ( 0.1967213 0.1967213 0.1919091), wk = 0.0028249 k( 295) = ( 0.1885246 0.1885246 0.1919091), wk = 0.0028249 k( 296) = ( 0.1803279 0.1803279 0.1919091), wk = 0.0028249 k( 297) = ( 0.1721312 0.1721311 0.1919091), wk = 0.0028249 k( 298) = ( 0.1639344 0.1639344 0.1919091), wk = 0.0028249 k( 299) = ( 0.1557377 0.1557377 0.1919091), wk = 0.0028249 k( 300) = ( 0.1475410 0.1475410 0.1919091), wk = 0.0028249 k( 301) = ( 0.1393443 0.1393443 0.1919091), wk = 0.0028249 k( 302) = ( 0.1311475 0.1311475 0.1919091), wk = 0.0028249 k( 303) = ( 0.1229508 0.1229508 0.1919091), wk = 0.0028249 k( 304) = ( 0.1147541 0.1147541 0.1919091), wk = 0.0028249 k( 305) = ( 0.1065574 0.1065574 0.1919091), wk = 0.0028249 k( 306) = ( 0.0983607 0.0983607 0.1919091), wk = 0.0028249 k( 307) = ( 0.0901639 0.0901639 0.1919091), wk = 0.0028249 k( 308) = ( 0.0819672 0.0819672 0.1919091), wk = 0.0028249 k( 309) = ( 0.0737705 0.0737705 0.1919091), wk = 0.0028249 k( 310) = ( 0.0655738 0.0655738 0.1919091), wk = 0.0028249 k( 311) = ( 0.0573770 0.0573770 0.1919091), wk = 0.0028249 k( 312) = ( 0.0491803 0.0491803 0.1919091), wk = 0.0028249 k( 313) = ( 0.0409836 0.0409836 0.1919091), wk = 0.0028249 k( 314) = ( 0.0327869 0.0327869 0.1919091), wk = 0.0028249 k( 315) = ( 0.0245902 0.0245902 0.1919091), wk = 0.0028249 k( 316) = ( 0.0163934 0.0163934 0.1919091), wk = 0.0028249 k( 317) = ( 0.0081967 0.0081967 0.1919091), wk = 0.0028249 k( 318) = ( 0.0000000 0.0000000 0.1919091), wk = 0.0028249 k( 319) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.5000000 0.0112888), wk = 0.0028249 k( 321) = ( 0.0000000 0.5000000 0.0225775), wk = 0.0028249 k( 322) = ( 0.0000000 0.5000000 0.0338663), wk = 0.0028249 k( 323) = ( 0.0000000 0.5000000 0.0451551), wk = 0.0028249 k( 324) = ( 0.0000000 0.5000000 0.0564438), wk = 0.0028249 k( 325) = ( 0.0000000 0.5000000 0.0677326), wk = 0.0028249 k( 326) = ( 0.0000000 0.5000000 0.0790214), wk = 0.0028249 k( 327) = ( 0.0000000 0.5000000 0.0903101), wk = 0.0028249 k( 328) = ( 0.0000000 0.5000000 0.1015989), wk = 0.0028249 k( 329) = ( 0.0000000 0.5000000 0.1128877), wk = 0.0028249 k( 330) = ( 0.0000000 0.5000000 0.1241765), wk = 0.0028249 k( 331) = ( 0.0000000 0.5000000 0.1354652), wk = 0.0028249 k( 332) = ( 0.0000000 0.5000000 0.1467540), wk = 0.0028249 k( 333) = ( 0.0000000 0.5000000 0.1580428), wk = 0.0028249 k( 334) = ( 0.0000000 0.5000000 0.1693315), wk = 0.0028249 k( 335) = ( 0.0000000 0.5000000 0.1806203), wk = 0.0028249 k( 336) = ( 0.0000000 0.5000000 0.1919091), wk = 0.0028249 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 338) = ( 0.5000000 0.5000000 0.0112888), wk = 0.0028249 k( 339) = ( 0.5000000 0.5000000 0.0225775), wk = 0.0028249 k( 340) = ( 0.5000000 0.5000000 0.0338663), wk = 0.0028249 k( 341) = ( 0.5000000 0.5000000 0.0451551), wk = 0.0028249 k( 342) = ( 0.5000000 0.5000000 0.0564438), wk = 0.0028249 k( 343) = ( 0.5000000 0.5000000 0.0677326), wk = 0.0028249 k( 344) = ( 0.5000000 0.5000000 0.0790214), wk = 0.0028249 k( 345) = ( 0.5000000 0.5000000 0.0903101), wk = 0.0028249 k( 346) = ( 0.5000000 0.5000000 0.1015989), wk = 0.0028249 k( 347) = ( 0.5000000 0.5000000 0.1128877), wk = 0.0028249 k( 348) = ( 0.5000000 0.5000000 0.1241765), wk = 0.0028249 k( 349) = ( 0.5000000 0.5000000 0.1354652), wk = 0.0028249 k( 350) = ( 0.5000000 0.5000000 0.1467540), wk = 0.0028249 k( 351) = ( 0.5000000 0.5000000 0.1580428), wk = 0.0028249 k( 352) = ( 0.5000000 0.5000000 0.1693315), wk = 0.0028249 k( 353) = ( 0.5000000 0.5000000 0.1806203), wk = 0.0028249 k( 354) = ( 0.5000000 0.5000000 0.1919091), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0028249 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028249 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028249 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028249 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0028249 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028249 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028249 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028249 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0028249 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0028249 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0028249 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028249 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0028249 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028249 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0028249 k( 17) = ( 0.0000000 0.1860465 0.0000000), wk = 0.0028249 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0028249 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0028249 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0028249 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0028249 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0028249 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0028249 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0028249 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0028249 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0028249 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0028249 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0028249 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028249 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0028249 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0028249 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028249 k( 33) = ( 0.0000000 0.3720930 0.0000000), wk = 0.0028249 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0028249 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0028249 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0028249 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028249 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0028249 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0028249 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0028249 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0028249 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0028249 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0028249 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0028249 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0028249 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028249 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0028249 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0028249 k( 51) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0028249 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0028249 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0028249 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0028249 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0028249 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0028249 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0028249 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0028249 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0028249 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0028249 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0028249 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0028249 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0028249 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0028249 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0028249 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0028249 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0028249 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0028249 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028249 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028249 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028249 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028249 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028249 k( 74) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0028249 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0028249 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028249 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028249 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0028249 k( 79) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0028249 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0028249 k( 81) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0028249 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0028249 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0028249 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028249 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0028249 k( 86) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0028249 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0028249 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 90) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0028249 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0028249 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0028249 k( 93) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0028249 k( 94) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0028249 k( 95) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0028249 k( 96) = ( 0.4426230 0.4426230 0.0000000), wk = 0.0028249 k( 97) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0028249 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0028249 k( 99) = ( 0.4180328 0.4180328 0.0000000), wk = 0.0028249 k( 100) = ( 0.4098361 0.4098361 0.0000000), wk = 0.0028249 k( 101) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0028249 k( 102) = ( 0.3934426 0.3934426 0.0000000), wk = 0.0028249 k( 103) = ( 0.3852459 0.3852459 0.0000000), wk = 0.0028249 k( 104) = ( 0.3770492 0.3770492 0.0000000), wk = 0.0028249 k( 105) = ( 0.3688525 0.3688525 0.0000000), wk = 0.0028249 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0028249 k( 107) = ( 0.3524590 0.3524590 0.0000000), wk = 0.0028249 k( 108) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0028249 k( 109) = ( 0.3360656 0.3360656 0.0000000), wk = 0.0028249 k( 110) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0028249 k( 111) = ( 0.3196721 0.3196721 0.0000000), wk = 0.0028249 k( 112) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0028249 k( 113) = ( 0.3032787 0.3032787 0.0000000), wk = 0.0028249 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0028249 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0028249 k( 116) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0028249 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0028249 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0028249 k( 119) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0028249 k( 120) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0028249 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0028249 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0028249 k( 123) = ( 0.2213115 0.2213115 0.0000000), wk = 0.0028249 k( 124) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0028249 k( 125) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0028249 k( 126) = ( 0.1967213 0.1967213 0.0000000), wk = 0.0028249 k( 127) = ( 0.1885246 0.1885246 0.0000000), wk = 0.0028249 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0028249 k( 129) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0028249 k( 130) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0028249 k( 131) = ( 0.1557377 0.1557377 0.0000000), wk = 0.0028249 k( 132) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0028249 k( 133) = ( 0.1393443 0.1393443 0.0000000), wk = 0.0028249 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0028249 k( 135) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0028249 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0028249 k( 137) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0028249 k( 138) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0028249 k( 139) = ( 0.0901639 0.0901639 0.0000000), wk = 0.0028249 k( 140) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0028249 k( 141) = ( 0.0737705 0.0737705 0.0000000), wk = 0.0028249 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0028249 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0028249 k( 144) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0028249 k( 145) = ( 0.0409836 0.0409836 0.0000000), wk = 0.0028249 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0028249 k( 147) = ( 0.0245902 0.0245902 0.0000000), wk = 0.0028249 k( 148) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0028249 k( 149) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0028249 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 152) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0028249 k( 153) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0028249 k( 154) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0028249 k( 155) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0028249 k( 156) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0028249 k( 157) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0028249 k( 158) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0028249 k( 159) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0028249 k( 160) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0028249 k( 161) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0028249 k( 162) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0028249 k( 163) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0028249 k( 164) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0028249 k( 165) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0028249 k( 166) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0028249 k( 167) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0028249 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 170) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0028249 k( 171) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0028249 k( 172) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0028249 k( 173) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0028249 k( 174) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0028249 k( 175) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0028249 k( 176) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0028249 k( 177) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0028249 k( 178) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0028249 k( 179) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0028249 k( 180) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0028249 k( 181) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0028249 k( 182) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0028249 k( 183) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0028249 k( 184) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0028249 k( 185) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0028249 k( 186) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0028249 k( 187) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0028249 k( 188) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0028249 k( 189) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0028249 k( 190) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0028249 k( 191) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0028249 k( 192) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0028249 k( 193) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0028249 k( 194) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0028249 k( 195) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0028249 k( 196) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0028249 k( 197) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0028249 k( 198) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0028249 k( 199) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0028249 k( 200) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0028249 k( 201) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0028249 k( 202) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0028249 k( 203) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0028249 k( 204) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0028249 k( 205) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0028249 k( 206) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0028249 k( 207) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0028249 k( 208) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0028249 k( 209) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0028249 k( 210) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0028249 k( 211) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0028249 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 213) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 214) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0028249 k( 215) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0028249 k( 216) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0028249 k( 217) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0028249 k( 218) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0028249 k( 219) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0028249 k( 220) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0028249 k( 221) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0028249 k( 222) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0028249 k( 223) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0028249 k( 224) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0028249 k( 225) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0028249 k( 226) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0028249 k( 227) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0028249 k( 228) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0028249 k( 229) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0028249 k( 230) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0028249 k( 231) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0028249 k( 232) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0028249 k( 233) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0028249 k( 234) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0028249 k( 235) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0028249 k( 236) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0028249 k( 237) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0028249 k( 238) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0028249 k( 239) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0028249 k( 240) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0028249 k( 241) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0028249 k( 242) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0028249 k( 243) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0028249 k( 244) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0028249 k( 245) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0028249 k( 246) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0028249 k( 247) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0028249 k( 248) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0028249 k( 249) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0028249 k( 250) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0028249 k( 251) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0028249 k( 252) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0028249 k( 253) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0028249 k( 254) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0028249 k( 255) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0028249 k( 256) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 257) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 k( 258) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0028249 k( 259) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0028249 k( 260) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0028249 k( 261) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0028249 k( 262) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0028249 k( 263) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0028249 k( 264) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0028249 k( 265) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0028249 k( 266) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0028249 k( 267) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0028249 k( 268) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0028249 k( 269) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0028249 k( 270) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0028249 k( 271) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0028249 k( 272) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0028249 k( 273) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0028249 k( 274) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0028249 k( 275) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0028249 k( 276) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0028249 k( 277) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0028249 k( 278) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0028249 k( 279) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0028249 k( 280) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0028249 k( 281) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0028249 k( 282) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0028249 k( 283) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0028249 k( 284) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0028249 k( 285) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0028249 k( 286) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0028249 k( 287) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0028249 k( 288) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0028249 k( 289) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0028249 k( 290) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0028249 k( 291) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0028249 k( 292) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0028249 k( 293) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0028249 k( 294) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0028249 k( 295) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0028249 k( 296) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0028249 k( 297) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0028249 k( 298) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0028249 k( 299) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0028249 k( 300) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0028249 k( 301) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0028249 k( 302) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0028249 k( 303) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0028249 k( 304) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0028249 k( 305) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0028249 k( 306) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0028249 k( 307) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0028249 k( 308) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0028249 k( 309) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0028249 k( 310) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0028249 k( 311) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0028249 k( 312) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0028249 k( 313) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0028249 k( 314) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0028249 k( 315) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0028249 k( 316) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0028249 k( 317) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0028249 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 319) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249 k( 320) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0028249 k( 321) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0028249 k( 322) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0028249 k( 323) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0028249 k( 324) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0028249 k( 325) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0028249 k( 326) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0028249 k( 327) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0028249 k( 328) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0028249 k( 329) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0028249 k( 330) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0028249 k( 331) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0028249 k( 332) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0028249 k( 333) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0028249 k( 334) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0028249 k( 335) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0028249 k( 336) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028249 k( 338) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0028249 k( 339) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0028249 k( 340) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0028249 k( 341) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0028249 k( 342) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0028249 k( 343) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0028249 k( 344) = ( 0.5000000 0.5000000 0.2058824), wk = 0.0028249 k( 345) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0028249 k( 346) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0028249 k( 347) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0028249 k( 348) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0028249 k( 349) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0028249 k( 350) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0028249 k( 351) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0028249 k( 352) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0028249 k( 353) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0028249 k( 354) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028249 Dense grid: 53597 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 41617 G-vectors FFT dimensions: ( 32, 32, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 312, 58) NL pseudopotentials 0.47 Mb ( 156, 196) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1495) G-vector shells 0.01 Mb ( 738) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 312, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.35 Mb ( 196, 2, 58) The potential is recalculated from file : ./ZrSiCuAs.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 12.8 secs Computing kpt #: 12 total cpu time spent up to now is 13.5 secs Computing kpt #: 13 total cpu time spent up to now is 14.2 secs Computing kpt #: 14 total cpu time spent up to now is 14.9 secs Computing kpt #: 15 total cpu time spent up to now is 15.7 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.0 secs Computing kpt #: 18 total cpu time spent up to now is 17.8 secs Computing kpt #: 19 total cpu time spent up to now is 18.6 secs Computing kpt #: 20 total cpu time spent up to now is 19.5 secs Computing kpt #: 21 total cpu time spent up to now is 20.8 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.5 secs Computing kpt #: 23 total cpu time spent up to now is 23.8 secs Computing kpt #: 24 total cpu time spent up to now is 24.9 secs Computing kpt #: 25 total cpu time spent up to now is 25.6 secs Computing kpt #: 26 total cpu time spent up to now is 26.3 secs Computing kpt #: 27 total cpu time spent up to now is 27.0 secs Computing kpt #: 28 total cpu time spent up to now is 28.1 secs Computing kpt #: 29 total cpu time spent up to now is 29.8 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 31.5 secs Computing kpt #: 31 total cpu time spent up to now is 32.9 secs Computing kpt #: 32 total cpu time spent up to now is 33.8 secs Computing kpt #: 33 total cpu time spent up to now is 34.6 secs Computing kpt #: 34 total cpu time spent up to now is 35.4 secs Computing kpt #: 35 total cpu time spent up to now is 36.2 secs Computing kpt #: 36 total cpu time spent up to now is 37.0 secs Computing kpt #: 37 total cpu time spent up to now is 37.6 secs Computing kpt #: 38 total cpu time spent up to now is 38.3 secs Computing kpt #: 39 total cpu time spent up to now is 39.1 secs Computing kpt #: 40 total cpu time spent up to now is 39.8 secs Computing kpt #: 41 total cpu time spent up to now is 40.6 secs Computing kpt #: 42 total cpu time spent up to now is 41.5 secs Computing kpt #: 43 total cpu time spent up to now is 42.5 secs Computing kpt #: 44 total cpu time spent up to now is 43.5 secs Computing kpt #: 45 total cpu time spent up to now is 44.7 secs Computing kpt #: 46 total cpu time spent up to now is 48.9 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.7 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.5 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.3 secs Computing kpt #: 50 total cpu time spent up to now is 55.5 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.3 secs Computing kpt #: 52 total cpu time spent up to now is 58.4 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.2 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.0 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.8 secs Computing kpt #: 56 total cpu time spent up to now is 64.8 secs Computing kpt #: 57 total cpu time spent up to now is 66.2 secs Computing kpt #: 58 total cpu time spent up to now is 67.2 secs Computing kpt #: 59 total cpu time spent up to now is 68.2 secs Computing kpt #: 60 total cpu time spent up to now is 69.2 secs Computing kpt #: 61 total cpu time spent up to now is 70.0 secs Computing kpt #: 62 total cpu time spent up to now is 70.9 secs Computing kpt #: 63 total cpu time spent up to now is 71.6 secs Computing kpt #: 64 total cpu time spent up to now is 72.4 secs Computing kpt #: 65 total cpu time spent up to now is 73.1 secs Computing kpt #: 66 total cpu time spent up to now is 74.1 secs Computing kpt #: 67 total cpu time spent up to now is 75.2 secs Computing kpt #: 68 total cpu time spent up to now is 76.2 secs Computing kpt #: 69 total cpu time spent up to now is 77.2 secs Computing kpt #: 70 total cpu time spent up to now is 78.4 secs Computing kpt #: 71 total cpu time spent up to now is 79.4 secs Computing kpt #: 72 total cpu time spent up to now is 80.5 secs Computing kpt #: 73 total cpu time spent up to now is 81.5 secs Computing kpt #: 74 total cpu time spent up to now is 82.5 secs Computing kpt #: 75 total cpu time spent up to now is 83.6 secs Computing kpt #: 76 total cpu time spent up to now is 84.6 secs Computing kpt #: 77 total cpu time spent up to now is 85.7 secs Computing kpt #: 78 total cpu time spent up to now is 86.7 secs Computing kpt #: 79 total cpu time spent up to now is 87.7 secs Computing kpt #: 80 total cpu time spent up to now is 88.8 secs Computing kpt #: 81 total cpu time spent up to now is 89.8 secs Computing kpt #: 82 total cpu time spent up to now is 90.8 secs Computing kpt #: 83 total cpu time spent up to now is 91.9 secs Computing kpt #: 84 total cpu time spent up to now is 92.9 secs Computing kpt #: 85 total cpu time spent up to now is 93.9 secs Computing kpt #: 86 total cpu time spent up to now is 95.0 secs Computing kpt #: 87 total cpu time spent up to now is 96.2 secs Computing kpt #: 88 total cpu time spent up to now is 97.2 secs Computing kpt #: 89 total cpu time spent up to now is 98.2 secs Computing kpt #: 90 total cpu time spent up to now is 99.2 secs Computing kpt #: 91 total cpu time spent up to now is 100.2 secs Computing kpt #: 92 total cpu time spent up to now is 101.2 secs Computing kpt #: 93 total cpu time spent up to now is 102.2 secs Computing kpt #: 94 total cpu time spent up to now is 103.2 secs Computing kpt #: 95 total cpu time spent up to now is 104.2 secs Computing kpt #: 96 total cpu time spent up to now is 105.2 secs Computing kpt #: 97 total cpu time spent up to now is 106.1 secs Computing kpt #: 98 total cpu time spent up to now is 107.0 secs Computing kpt #: 99 total cpu time spent up to now is 107.9 secs Computing kpt #: 100 total cpu time spent up to now is 108.9 secs Computing kpt #: 101 total cpu time spent up to now is 109.8 secs Computing kpt #: 102 total cpu time spent up to now is 110.8 secs Computing kpt #: 103 total cpu time spent up to now is 111.7 secs Computing kpt #: 104 total cpu time spent up to now is 112.6 secs Computing kpt #: 105 total cpu time spent up to now is 113.5 secs Computing kpt #: 106 total cpu time spent up to now is 114.5 secs Computing kpt #: 107 total cpu time spent up to now is 115.5 secs Computing kpt #: 108 total cpu time spent up to now is 116.6 secs Computing kpt #: 109 total cpu time spent up to now is 117.7 secs Computing kpt #: 110 total cpu time spent up to now is 118.8 secs Computing kpt #: 111 total cpu time spent up to now is 120.3 secs Computing kpt #: 112 total cpu time spent up to now is 121.3 secs Computing kpt #: 113 total cpu time spent up to now is 122.4 secs Computing kpt #: 114 total cpu time spent up to now is 123.9 secs Computing kpt #: 115 total cpu time spent up to now is 125.5 secs Computing kpt #: 116 total cpu time spent up to now is 127.2 secs Computing kpt #: 117 total cpu time spent up to now is 128.7 secs Computing kpt #: 118 total cpu time spent up to now is 129.8 secs Computing kpt #: 119 total cpu time spent up to now is 130.9 secs Computing kpt #: 120 total cpu time spent up to now is 131.9 secs Computing kpt #: 121 total cpu time spent up to now is 132.9 secs Computing kpt #: 122 total cpu time spent up to now is 133.8 secs Computing kpt #: 123 total cpu time spent up to now is 134.8 secs Computing kpt #: 124 total cpu time spent up to now is 135.7 secs Computing kpt #: 125 total cpu time spent up to now is 136.6 secs Computing kpt #: 126 total cpu time spent up to now is 137.6 secs Computing kpt #: 127 total cpu time spent up to now is 138.5 secs Computing kpt #: 128 total cpu time spent up to now is 139.5 secs Computing kpt #: 129 total cpu time spent up to now is 140.6 secs Computing kpt #: 130 total cpu time spent up to now is 142.1 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 132 total cpu time spent up to now is 144.7 secs Computing kpt #: 133 total cpu time spent up to now is 145.4 secs Computing kpt #: 134 total cpu time spent up to now is 146.1 secs Computing kpt #: 135 total cpu time spent up to now is 146.7 secs Computing kpt #: 136 total cpu time spent up to now is 147.4 secs Computing kpt #: 137 total cpu time spent up to now is 148.0 secs Computing kpt #: 138 total cpu time spent up to now is 148.7 secs Computing kpt #: 139 total cpu time spent up to now is 149.3 secs Computing kpt #: 140 total cpu time spent up to now is 150.0 secs Computing kpt #: 141 total cpu time spent up to now is 150.6 secs Computing kpt #: 142 total cpu time spent up to now is 151.3 secs Computing kpt #: 143 total cpu time spent up to now is 151.9 secs Computing kpt #: 144 total cpu time spent up to now is 152.6 secs Computing kpt #: 145 total cpu time spent up to now is 153.2 secs Computing kpt #: 146 total cpu time spent up to now is 153.9 secs Computing kpt #: 147 total cpu time spent up to now is 154.6 secs Computing kpt #: 148 total cpu time spent up to now is 155.2 secs Computing kpt #: 149 total cpu time spent up to now is 156.0 secs Computing kpt #: 150 total cpu time spent up to now is 156.8 secs Computing kpt #: 151 total cpu time spent up to now is 157.5 secs Computing kpt #: 152 total cpu time spent up to now is 158.3 secs Computing kpt #: 153 total cpu time spent up to now is 159.2 secs Computing kpt #: 154 total cpu time spent up to now is 160.1 secs Computing kpt #: 155 total cpu time spent up to now is 161.1 secs Computing kpt #: 156 total cpu time spent up to now is 162.1 secs Computing kpt #: 157 total cpu time spent up to now is 163.0 secs Computing kpt #: 158 total cpu time spent up to now is 163.9 secs Computing kpt #: 159 total cpu time spent up to now is 164.8 secs Computing kpt #: 160 total cpu time spent up to now is 165.8 secs Computing kpt #: 161 total cpu time spent up to now is 166.8 secs Computing kpt #: 162 total cpu time spent up to now is 167.8 secs Computing kpt #: 163 total cpu time spent up to now is 168.8 secs Computing kpt #: 164 total cpu time spent up to now is 169.8 secs Computing kpt #: 165 total cpu time spent up to now is 170.7 secs Computing kpt #: 166 total cpu time spent up to now is 171.8 secs Computing kpt #: 167 total cpu time spent up to now is 172.8 secs Computing kpt #: 168 total cpu time spent up to now is 173.7 secs Computing kpt #: 169 total cpu time spent up to now is 174.7 secs Computing kpt #: 170 total cpu time spent up to now is 175.7 secs Computing kpt #: 171 total cpu time spent up to now is 176.7 secs Computing kpt #: 172 total cpu time spent up to now is 177.7 secs Computing kpt #: 173 total cpu time spent up to now is 178.6 secs Computing kpt #: 174 total cpu time spent up to now is 179.4 secs Computing kpt #: 175 total cpu time spent up to now is 180.1 secs Computing kpt #: 176 total cpu time spent up to now is 180.8 secs Computing kpt #: 177 total cpu time spent up to now is 181.6 secs Computing kpt #: 178 total cpu time spent up to now is 182.4 secs Computing kpt #: 179 total cpu time spent up to now is 183.1 secs Computing kpt #: 180 total cpu time spent up to now is 183.9 secs Computing kpt #: 181 total cpu time spent up to now is 184.7 secs Computing kpt #: 182 total cpu time spent up to now is 185.6 secs Computing kpt #: 183 total cpu time spent up to now is 186.6 secs Computing kpt #: 184 total cpu time spent up to now is 187.6 secs Computing kpt #: 185 total cpu time spent up to now is 188.8 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.6 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.3 secs Computing kpt #: 188 total cpu time spent up to now is 194.0 secs Computing kpt #: 189 total cpu time spent up to now is 195.3 secs Computing kpt #: 190 total cpu time spent up to now is 196.3 secs Computing kpt #: 191 total cpu time spent up to now is 197.4 secs Computing kpt #: 192 total cpu time spent up to now is 198.3 secs Computing kpt #: 193 total cpu time spent up to now is 199.2 secs Computing kpt #: 194 total cpu time spent up to now is 200.0 secs Computing kpt #: 195 total cpu time spent up to now is 200.9 secs Computing kpt #: 196 total cpu time spent up to now is 201.9 secs Computing kpt #: 197 total cpu time spent up to now is 202.8 secs Computing kpt #: 198 total cpu time spent up to now is 203.7 secs Computing kpt #: 199 total cpu time spent up to now is 204.4 secs Computing kpt #: 200 total cpu time spent up to now is 205.4 secs Computing kpt #: 201 total cpu time spent up to now is 206.2 secs Computing kpt #: 202 total cpu time spent up to now is 207.1 secs Computing kpt #: 203 total cpu time spent up to now is 208.0 secs Computing kpt #: 204 total cpu time spent up to now is 208.8 secs Computing kpt #: 205 total cpu time spent up to now is 209.7 secs Computing kpt #: 206 total cpu time spent up to now is 210.6 secs Computing kpt #: 207 total cpu time spent up to now is 211.5 secs Computing kpt #: 208 total cpu time spent up to now is 212.4 secs Computing kpt #: 209 total cpu time spent up to now is 213.4 secs Computing kpt #: 210 total cpu time spent up to now is 214.6 secs Computing kpt #: 211 total cpu time spent up to now is 215.6 secs Computing kpt #: 212 total cpu time spent up to now is 217.0 secs Computing kpt #: 213 total cpu time spent up to now is 218.1 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.9 secs Computing kpt #: 215 total cpu time spent up to now is 221.2 secs Computing kpt #: 216 total cpu time spent up to now is 222.1 secs Computing kpt #: 217 total cpu time spent up to now is 223.5 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.2 secs Computing kpt #: 219 total cpu time spent up to now is 226.5 secs Computing kpt #: 220 total cpu time spent up to now is 227.8 secs Computing kpt #: 221 total cpu time spent up to now is 228.7 secs Computing kpt #: 222 total cpu time spent up to now is 230.1 secs Computing kpt #: 223 total cpu time spent up to now is 231.0 secs Computing kpt #: 224 total cpu time spent up to now is 232.2 secs Computing kpt #: 225 total cpu time spent up to now is 233.2 secs Computing kpt #: 226 total cpu time spent up to now is 234.2 secs Computing kpt #: 227 total cpu time spent up to now is 235.2 secs Computing kpt #: 228 total cpu time spent up to now is 236.1 secs Computing kpt #: 229 total cpu time spent up to now is 237.0 secs Computing kpt #: 230 total cpu time spent up to now is 238.0 secs Computing kpt #: 231 total cpu time spent up to now is 239.0 secs Computing kpt #: 232 total cpu time spent up to now is 240.0 secs Computing kpt #: 233 total cpu time spent up to now is 241.0 secs Computing kpt #: 234 total cpu time spent up to now is 242.0 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.8 secs Computing kpt #: 236 total cpu time spent up to now is 244.8 secs Computing kpt #: 237 total cpu time spent up to now is 245.9 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.7 secs Computing kpt #: 239 total cpu time spent up to now is 248.9 secs Computing kpt #: 240 total cpu time spent up to now is 249.9 secs Computing kpt #: 241 total cpu time spent up to now is 251.1 secs Computing kpt #: 242 total cpu time spent up to now is 252.3 secs Computing kpt #: 243 total cpu time spent up to now is 253.4 secs Computing kpt #: 244 total cpu time spent up to now is 255.0 secs Computing kpt #: 245 total cpu time spent up to now is 256.7 secs Computing kpt #: 246 total cpu time spent up to now is 258.4 secs Computing kpt #: 247 total cpu time spent up to now is 260.0 secs Computing kpt #: 248 total cpu time spent up to now is 261.3 secs Computing kpt #: 249 total cpu time spent up to now is 262.5 secs Computing kpt #: 250 total cpu time spent up to now is 263.6 secs Computing kpt #: 251 total cpu time spent up to now is 265.0 secs Computing kpt #: 252 total cpu time spent up to now is 266.2 secs Computing kpt #: 253 total cpu time spent up to now is 267.3 secs Computing kpt #: 254 total cpu time spent up to now is 268.4 secs Computing kpt #: 255 total cpu time spent up to now is 269.5 secs Computing kpt #: 256 total cpu time spent up to now is 271.0 secs Computing kpt #: 257 total cpu time spent up to now is 272.6 secs Computing kpt #: 258 total cpu time spent up to now is 273.7 secs Computing kpt #: 259 total cpu time spent up to now is 274.7 secs Computing kpt #: 260 total cpu time spent up to now is 275.7 secs Computing kpt #: 261 total cpu time spent up to now is 276.7 secs Computing kpt #: 262 total cpu time spent up to now is 277.9 secs Computing kpt #: 263 total cpu time spent up to now is 279.4 secs Computing kpt #: 264 total cpu time spent up to now is 280.3 secs Computing kpt #: 265 total cpu time spent up to now is 281.2 secs Computing kpt #: 266 total cpu time spent up to now is 282.0 secs Computing kpt #: 267 total cpu time spent up to now is 282.7 secs Computing kpt #: 268 total cpu time spent up to now is 283.4 secs Computing kpt #: 269 total cpu time spent up to now is 284.1 secs Computing kpt #: 270 total cpu time spent up to now is 284.7 secs Computing kpt #: 271 total cpu time spent up to now is 285.3 secs Computing kpt #: 272 total cpu time spent up to now is 286.0 secs Computing kpt #: 273 total cpu time spent up to now is 286.6 secs Computing kpt #: 274 total cpu time spent up to now is 287.2 secs Computing kpt #: 275 total cpu time spent up to now is 287.9 secs Computing kpt #: 276 total cpu time spent up to now is 288.6 secs Computing kpt #: 277 total cpu time spent up to now is 289.2 secs Computing kpt #: 278 total cpu time spent up to now is 289.9 secs Computing kpt #: 279 total cpu time spent up to now is 290.7 secs Computing kpt #: 280 total cpu time spent up to now is 291.5 secs Computing kpt #: 281 total cpu time spent up to now is 292.5 secs Computing kpt #: 282 total cpu time spent up to now is 293.3 secs Computing kpt #: 283 total cpu time spent up to now is 294.1 secs Computing kpt #: 284 total cpu time spent up to now is 294.9 secs Computing kpt #: 285 total cpu time spent up to now is 295.8 secs Computing kpt #: 286 total cpu time spent up to now is 296.8 secs Computing kpt #: 287 total cpu time spent up to now is 297.7 secs Computing kpt #: 288 total cpu time spent up to now is 298.7 secs Computing kpt #: 289 total cpu time spent up to now is 299.9 secs Computing kpt #: 290 total cpu time spent up to now is 301.2 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.9 secs Computing kpt #: 292 total cpu time spent up to now is 304.2 secs Computing kpt #: 293 total cpu time spent up to now is 305.4 secs Computing kpt #: 294 total cpu time spent up to now is 306.4 secs Computing kpt #: 295 total cpu time spent up to now is 307.4 secs Computing kpt #: 296 total cpu time spent up to now is 308.4 secs Computing kpt #: 297 total cpu time spent up to now is 309.3 secs Computing kpt #: 298 total cpu time spent up to now is 310.2 secs Computing kpt #: 299 total cpu time spent up to now is 311.2 secs Computing kpt #: 300 total cpu time spent up to now is 312.4 secs Computing kpt #: 301 total cpu time spent up to now is 313.4 secs Computing kpt #: 302 total cpu time spent up to now is 314.4 secs Computing kpt #: 303 total cpu time spent up to now is 315.3 secs Computing kpt #: 304 total cpu time spent up to now is 316.2 secs Computing kpt #: 305 total cpu time spent up to now is 317.1 secs Computing kpt #: 306 total cpu time spent up to now is 318.0 secs Computing kpt #: 307 total cpu time spent up to now is 318.9 secs Computing kpt #: 308 total cpu time spent up to now is 319.8 secs Computing kpt #: 309 total cpu time spent up to now is 320.7 secs Computing kpt #: 310 total cpu time spent up to now is 321.7 secs Computing kpt #: 311 total cpu time spent up to now is 322.7 secs Computing kpt #: 312 total cpu time spent up to now is 323.7 secs Computing kpt #: 313 total cpu time spent up to now is 324.7 secs Computing kpt #: 314 total cpu time spent up to now is 325.7 secs Computing kpt #: 315 total cpu time spent up to now is 326.7 secs Computing kpt #: 316 total cpu time spent up to now is 327.7 secs Computing kpt #: 317 total cpu time spent up to now is 328.7 secs Computing kpt #: 318 total cpu time spent up to now is 329.7 secs Computing kpt #: 319 total cpu time spent up to now is 330.8 secs Computing kpt #: 320 total cpu time spent up to now is 331.8 secs Computing kpt #: 321 total cpu time spent up to now is 332.9 secs Computing kpt #: 322 total cpu time spent up to now is 334.1 secs Computing kpt #: 323 total cpu time spent up to now is 335.1 secs Computing kpt #: 324 total cpu time spent up to now is 336.0 secs Computing kpt #: 325 total cpu time spent up to now is 336.9 secs Computing kpt #: 326 total cpu time spent up to now is 337.8 secs Computing kpt #: 327 total cpu time spent up to now is 338.9 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.7 secs Computing kpt #: 329 total cpu time spent up to now is 342.1 secs Computing kpt #: 330 total cpu time spent up to now is 343.4 secs Computing kpt #: 331 total cpu time spent up to now is 344.5 secs Computing kpt #: 332 total cpu time spent up to now is 345.7 secs Computing kpt #: 333 total cpu time spent up to now is 346.6 secs Computing kpt #: 334 total cpu time spent up to now is 347.7 secs Computing kpt #: 335 total cpu time spent up to now is 348.8 secs Computing kpt #: 336 total cpu time spent up to now is 349.9 secs Computing kpt #: 337 total cpu time spent up to now is 350.9 secs Computing kpt #: 338 total cpu time spent up to now is 351.9 secs Computing kpt #: 339 total cpu time spent up to now is 352.9 secs Computing kpt #: 340 total cpu time spent up to now is 353.9 secs Computing kpt #: 341 total cpu time spent up to now is 355.2 secs Computing kpt #: 342 total cpu time spent up to now is 356.2 secs Computing kpt #: 343 total cpu time spent up to now is 357.3 secs Computing kpt #: 344 total cpu time spent up to now is 358.5 secs Computing kpt #: 345 total cpu time spent up to now is 359.8 secs Computing kpt #: 346 total cpu time spent up to now is 361.0 secs Computing kpt #: 347 total cpu time spent up to now is 362.2 secs Computing kpt #: 348 total cpu time spent up to now is 363.6 secs Computing kpt #: 349 total cpu time spent up to now is 364.8 secs Computing kpt #: 350 total cpu time spent up to now is 365.8 secs Computing kpt #: 351 total cpu time spent up to now is 366.9 secs Computing kpt #: 352 total cpu time spent up to now is 368.1 secs Computing kpt #: 353 total cpu time spent up to now is 369.7 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.4 secs ethr = 2.08E-08, avg # of iterations = 52.9 total cpu time spent up to now is 371.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5177 PWs) bands (ev): -2.6239 -2.6239 -1.7263 -1.7263 -0.4942 -0.4942 4.0301 4.0301 4.9331 4.9331 5.9832 5.9832 6.0145 6.0145 6.2446 6.2446 6.6207 6.6207 6.9102 6.9102 6.9742 6.9742 7.3286 7.3286 7.4012 7.4012 7.9249 7.9249 7.9715 7.9715 7.9763 7.9763 8.0316 8.0316 8.4499 8.4499 8.4997 8.4997 8.6986 8.6986 8.7972 8.7972 8.8256 8.8256 10.2842 10.2842 10.3960 10.3960 11.6142 11.6142 12.2149 12.2149 12.2969 12.2969 12.4041 12.4041 12.5440 12.5440 k = 0.0000 0.0116-0.0000 ( 5179 PWs) bands (ev): -2.6226 -2.6226 -1.7254 -1.7254 -0.4930 -0.4930 4.0315 4.0315 4.9333 4.9333 5.9827 5.9827 6.0139 6.0139 6.2452 6.2452 6.6201 6.6201 6.9048 6.9048 6.9750 6.9750 7.3294 7.3294 7.4019 7.4019 7.8586 7.8586 7.9745 7.9745 8.0154 8.0154 8.0464 8.0464 8.4465 8.4465 8.4986 8.4986 8.6793 8.6793 8.7804 8.7804 8.8693 8.8693 10.2808 10.2808 10.3923 10.3923 11.6203 11.6203 12.1878 12.1878 12.2971 12.2971 12.4155 12.4155 12.5513 12.5513 k = 0.0000 0.0233-0.0000 ( 5177 PWs) bands (ev): -2.6189 -2.6189 -1.7226 -1.7226 -0.4893 -0.4893 4.0357 4.0357 4.9339 4.9339 5.9809 5.9809 6.0124 6.0124 6.2467 6.2467 6.6184 6.6184 6.8889 6.8889 6.9771 6.9771 7.3312 7.3312 7.4039 7.4039 7.7651 7.7651 7.9758 7.9758 8.0220 8.0220 8.1039 8.1039 8.4371 8.4371 8.4951 8.4951 8.6369 8.6369 8.7784 8.7784 8.9368 8.9368 10.2707 10.2707 10.3815 10.3815 11.6383 11.6383 12.1298 12.1298 12.2966 12.2966 12.4158 12.4158 12.5891 12.5891 k = 0.0000 0.0349-0.0000 ( 5181 PWs) bands (ev): -2.6128 -2.6128 -1.7181 -1.7181 -0.4832 -0.4832 4.0427 4.0427 4.9348 4.9348 5.9773 5.9773 6.0105 6.0105 6.2493 6.2493 6.6155 6.6155 6.8631 6.8631 6.9797 6.9797 7.3329 7.3329 7.4076 7.4076 7.6658 7.6658 7.9776 7.9776 8.0212 8.0212 8.1550 8.1550 8.4229 8.4229 8.4892 8.4892 8.5934 8.5934 8.7867 8.7867 9.0112 9.0112 10.2541 10.2541 10.3641 10.3641 11.6677 11.6677 12.0638 12.0638 12.2950 12.2950 12.3894 12.3894 12.6579 12.6579 k = 0.0000 0.0465-0.0000 ( 5197 PWs) bands (ev): -2.6042 -2.6042 -1.7117 -1.7117 -0.4747 -0.4747 4.0524 4.0524 4.9360 4.9360 5.9711 5.9711 6.0089 6.0089 6.2529 6.2529 6.6110 6.6110 6.8272 6.8272 6.9825 6.9825 7.3330 7.3330 7.4122 7.4122 7.5661 7.5661 7.9796 7.9796 8.0192 8.0192 8.1888 8.1888 8.4054 8.4054 8.4805 8.4805 8.5596 8.5596 8.7993 8.7993 9.0893 9.0893 10.2314 10.2314 10.3410 10.3410 11.7079 11.7079 11.9978 11.9978 12.2914 12.2914 12.3508 12.3508 12.7404 12.7404 k = 0.0000 0.0581-0.0000 ( 5193 PWs) bands (ev): -2.5932 -2.5932 -1.7035 -1.7035 -0.4637 -0.4637 4.0649 4.0649 4.9374 4.9374 5.9619 5.9619 6.0083 6.0083 6.2575 6.2575 6.6047 6.6047 6.7805 6.7805 6.9856 6.9856 7.3303 7.3303 7.4072 7.4072 7.4805 7.4805 7.9812 7.9812 8.0168 8.0168 8.2007 8.2007 8.3863 8.3863 8.4691 8.4691 8.5422 8.5422 8.8138 8.8138 9.1697 9.1697 10.2031 10.2031 10.3128 10.3128 11.7576 11.7576 11.9349 11.9349 12.2781 12.2781 12.3155 12.3155 12.8278 12.8278 k = 0.0000 0.0698-0.0000 ( 5193 PWs) bands (ev): -2.5799 -2.5799 -1.6936 -1.6936 -0.4502 -0.4502 4.0801 4.0801 4.9389 4.9389 5.9494 5.9494 6.0086 6.0086 6.2631 6.2631 6.5959 6.5959 6.7218 6.7218 6.9889 6.9889 7.3187 7.3187 7.3532 7.3532 7.4573 7.4573 7.9814 7.9814 8.0143 8.0143 8.1904 8.1904 8.3669 8.3669 8.4548 8.4548 8.5431 8.5431 8.8290 8.8290 9.2510 9.2510 10.1704 10.1704 10.2801 10.2801 11.8150 11.8150 11.8772 11.8772 12.2385 12.2385 12.3035 12.3035 12.9149 12.9149 k = 0.0000 0.0814-0.0000 ( 5189 PWs) bands (ev): -2.5641 -2.5641 -1.6819 -1.6819 -0.4344 -0.4344 4.0979 4.0979 4.9402 4.9402 5.9338 5.9338 6.0098 6.0098 6.2697 6.2697 6.5820 6.5820 6.6514 6.6514 6.9924 6.9924 7.2552 7.2552 7.3261 7.3261 7.4666 7.4666 7.9793 7.9793 8.0118 8.0118 8.1635 8.1635 8.3487 8.3487 8.4373 8.4373 8.5585 8.5585 8.8437 8.8437 9.3323 9.3323 10.1344 10.1344 10.2433 10.2433 11.8196 11.8196 11.8845 11.8845 12.1876 12.1876 12.3019 12.3019 12.9909 12.9909 k = 0.0000 0.0930-0.0000 ( 5193 PWs) bands (ev): -2.5460 -2.5460 -1.6686 -1.6686 -0.4160 -0.4160 4.1183 4.1183 4.9412 4.9412 5.9152 5.9152 6.0117 6.0117 6.2771 6.2771 6.5403 6.5403 6.5908 6.5908 6.9962 6.9962 7.1795 7.1795 7.3159 7.3159 7.4812 7.4812 7.9745 7.9745 8.0085 8.0085 8.1275 8.1275 8.3334 8.3334 8.4164 8.4164 8.5827 8.5827 8.8574 8.8574 9.4130 9.4130 10.0964 10.0964 10.2028 10.2028 11.7720 11.7720 11.9549 11.9549 12.1343 12.1343 12.3035 12.3035 13.0255 13.0255 k = 0.0000 0.1047-0.0000 ( 5197 PWs) bands (ev): -2.5255 -2.5255 -1.6537 -1.6537 -0.3953 -0.3953 4.1413 4.1413 4.9416 4.9416 5.8938 5.8938 6.0142 6.0142 6.2855 6.2855 6.4447 6.4447 6.5660 6.5660 7.0000 7.0000 7.1133 7.1133 7.3052 7.3052 7.4972 7.4972 7.9670 7.9670 8.0027 8.0027 8.0885 8.0885 8.3224 8.3224 8.3921 8.3921 8.6116 8.6116 8.8697 8.8697 9.4924 9.4924 10.0575 10.0575 10.1591 10.1591 11.7287 11.7287 12.0285 12.0285 12.0831 12.0831 12.3075 12.3075 13.0236 13.0236 k = 0.0000 0.1163-0.0000 ( 5197 PWs) bands (ev): -2.5028 -2.5028 -1.6372 -1.6372 -0.3721 -0.3721 4.1666 4.1666 4.9412 4.9412 5.8697 5.8697 6.0171 6.0171 6.2942 6.2942 6.3292 6.3292 6.5450 6.5450 7.0037 7.0037 7.0583 7.0583 7.2932 7.2932 7.5137 7.5137 7.9568 7.9568 7.9917 7.9917 8.0516 8.0516 8.3164 8.3164 8.3650 8.3650 8.6431 8.6431 8.8802 8.8802 9.5700 9.5700 10.0184 10.0184 10.1126 10.1126 11.6903 11.6903 12.0236 12.0236 12.1146 12.1146 12.3143 12.3143 13.0006 13.0006 k = 0.0000 0.1279-0.0000 ( 5197 PWs) bands (ev): -2.4779 -2.4779 -1.6193 -1.6193 -0.3465 -0.3465 4.1943 4.1943 4.9395 4.9395 5.8428 5.8428 6.0205 6.0205 6.2004 6.2004 6.3052 6.3052 6.5215 6.5215 7.0029 7.0029 7.0177 7.0177 7.2800 7.2800 7.5299 7.5299 7.9437 7.9437 7.9724 7.9724 8.0217 8.0217 8.3127 8.3127 8.3387 8.3387 8.6763 8.6763 8.8886 8.8886 9.6453 9.6453 9.9792 9.9792 10.0642 10.0642 11.6568 11.6568 11.9740 11.9740 12.1944 12.1944 12.3246 12.3246 12.9578 12.9578 k = 0.0000 0.1395-0.0000 ( 5201 PWs) bands (ev): -2.4508 -2.4508 -1.6000 -1.6000 -0.3184 -0.3184 4.2243 4.2243 4.9363 4.9363 5.8133 5.8133 6.0239 6.0239 6.0647 6.0647 6.3157 6.3157 6.4949 6.4949 6.9730 6.9730 7.0145 7.0145 7.2657 7.2657 7.5455 7.5455 7.9263 7.9263 7.9466 7.9466 7.9996 7.9996 8.2920 8.2920 8.3333 8.3333 8.7110 8.7110 8.8949 8.8949 9.7177 9.7177 9.9398 9.9398 10.0153 10.0153 11.6277 11.6277 11.9264 11.9264 12.2727 12.2727 12.3417 12.3417 12.8957 12.8957 k = 0.0000 0.1512-0.0000 ( 5205 PWs) bands (ev): -2.4216 -2.4216 -1.5794 -1.5794 -0.2880 -0.2880 4.2562 4.2562 4.9311 4.9311 5.7811 5.7811 5.9215 5.9215 6.0291 6.0291 6.3266 6.3266 6.4658 6.4658 6.9434 6.9434 7.0177 7.0177 7.2505 7.2505 7.5601 7.5601 7.9021 7.9021 7.9223 7.9223 7.9810 7.9810 8.2574 8.2574 8.3454 8.3454 8.7470 8.7470 8.8989 8.8989 9.7853 9.7853 9.9000 9.9000 9.9679 9.9679 11.6025 11.6025 11.8829 11.8829 12.3298 12.3298 12.3835 12.3835 12.8169 12.8169 k = 0.0000 0.1628-0.0000 ( 5201 PWs) bands (ev): -2.3903 -2.3903 -1.5575 -1.5575 -0.2551 -0.2551 4.2900 4.2900 4.9235 4.9235 5.7445 5.7445 5.7771 5.7771 6.0337 6.0337 6.3368 6.3368 6.4357 6.4357 6.9192 6.9192 7.0208 7.0208 7.2346 7.2346 7.5735 7.5735 7.8745 7.8745 7.9006 7.9006 7.9628 7.9628 8.2195 8.2195 8.3648 8.3648 8.7846 8.7846 8.9008 8.9008 9.8268 9.8268 9.8788 9.8788 9.9243 9.9243 11.5807 11.5807 11.8444 11.8444 12.3576 12.3576 12.4572 12.4572 12.7254 12.7254 k = 0.0000 0.1744-0.0000 ( 5203 PWs) bands (ev): -2.3570 -2.3570 -1.5346 -1.5346 -0.2197 -0.2197 4.3254 4.3254 4.9130 4.9130 5.6229 5.6229 5.7123 5.7123 6.0387 6.0387 6.3431 6.3431 6.4089 6.4089 6.8997 6.8997 7.0228 7.0228 7.2185 7.2185 7.5853 7.5853 7.8481 7.8481 7.8785 7.8785 7.9442 7.9442 8.1804 8.1804 8.3893 8.3893 8.8238 8.8238 8.9006 8.9006 9.7903 9.7903 9.8843 9.8843 9.9276 9.9276 11.5618 11.5618 11.8118 11.8118 12.3816 12.3816 12.5365 12.5365 12.6254 12.6254 k = 0.0000 0.1860-0.0000 ( 5193 PWs) bands (ev): -2.3219 -2.3219 -1.5107 -1.5107 -0.1820 -0.1820 4.3621 4.3621 4.8992 4.8992 5.4714 5.4714 5.6736 5.6736 6.0441 6.0441 6.3356 6.3356 6.3962 6.3962 6.8840 6.8840 7.0234 7.0234 7.2026 7.2026 7.5951 7.5951 7.8250 7.8250 7.8554 7.8554 7.9248 7.9248 8.1413 8.1413 8.4182 8.4182 8.8647 8.8647 8.8984 8.8984 9.7369 9.7369 9.8480 9.8480 9.9845 9.9845 11.5451 11.5451 11.7860 11.7860 12.4077 12.4077 12.5210 12.5210 12.6146 12.6146 k = 0.0000 0.1977-0.0000 ( 5204 PWs) bands (ev): -2.2849 -2.2849 -1.4860 -1.4860 -0.1418 -0.1418 4.3997 4.3997 4.8816 4.8816 5.3181 5.3181 5.6339 5.6339 6.0497 6.0497 6.3118 6.3118 6.4013 6.4013 6.8713 6.8713 7.0217 7.0217 7.1876 7.1876 7.6022 7.6022 7.8056 7.8056 7.8318 7.8318 7.9042 7.9042 8.1031 8.1031 8.4507 8.4507 8.8939 8.8939 8.9080 8.9080 9.6799 9.6799 9.8128 9.8128 10.0376 10.0376 11.5302 11.5302 11.7676 11.7676 12.4125 12.4125 12.4405 12.4405 12.6892 12.6892 k = 0.0000 0.2093-0.0000 ( 5200 PWs) bands (ev): -2.2461 -2.2461 -1.4605 -1.4605 -0.0992 -0.0992 4.4378 4.4378 4.8599 4.8599 5.1640 5.1640 5.5933 5.5933 6.0557 6.0557 6.2832 6.2832 6.4140 6.4140 6.8611 6.8611 7.0170 7.0170 7.1743 7.1743 7.6062 7.6062 7.7893 7.7893 7.8094 7.8094 7.8822 7.8822 8.0670 8.0670 8.4863 8.4863 8.8888 8.8888 8.9524 8.9524 9.6213 9.6213 9.7775 9.7775 10.0846 10.0846 11.5163 11.5163 11.7569 11.7569 12.3123 12.3123 12.4713 12.4713 12.7586 12.7586 k = 0.0000 0.2209-0.0000 ( 5190 PWs) bands (ev): -2.2058 -2.2058 -1.4345 -1.4345 -0.0542 -0.0542 4.4755 4.4755 4.8339 4.8339 5.0098 5.0098 5.5526 5.5526 6.0618 6.0618 6.2556 6.2556 6.4294 6.4294 6.8528 6.8528 7.0086 7.0086 7.1631 7.1631 7.6064 7.6064 7.7717 7.7717 7.7937 7.7937 7.8586 7.8586 8.0337 8.0337 8.5244 8.5244 8.8825 8.8825 8.9990 8.9990 9.5623 9.5623 9.7411 9.7411 10.1236 10.1236 11.5028 11.5028 11.7543 11.7543 12.2162 12.2162 12.5076 12.5076 12.8207 12.8207 k = 0.0000 0.2326-0.0000 ( 5184 PWs) bands (ev): -2.1639 -2.1639 -1.4081 -1.4081 -0.0068 -0.0068 4.5121 4.5121 4.8027 4.8027 4.8565 4.8565 5.5127 5.5127 6.0680 6.0680 6.2309 6.2309 6.4464 6.4464 6.8461 6.8461 6.9963 6.9963 7.1542 7.1542 7.6023 7.6023 7.7492 7.7492 7.7884 7.7884 7.8336 7.8336 8.0038 8.0038 8.5643 8.5643 8.8759 8.8759 9.0474 9.0474 9.5035 9.5035 9.7030 9.7030 10.1528 10.1528 11.4890 11.4890 11.7595 11.7595 12.1294 12.1294 12.5474 12.5474 12.8731 12.8731 k = 0.0000 0.2442-0.0000 ( 5188 PWs) bands (ev): -2.1206 -2.1206 -1.3815 -1.3815 0.0431 0.0431 4.5461 4.5461 4.7009 4.7009 4.7704 4.7704 5.4748 5.4748 6.0741 6.0741 6.2103 6.2103 6.4643 6.4643 6.8406 6.8406 6.9802 6.9802 7.1473 7.1473 7.5945 7.5945 7.7246 7.7246 7.7894 7.7894 7.8087 7.8087 7.9775 7.9775 8.6050 8.6050 8.8701 8.8701 9.0974 9.0974 9.4455 9.4455 9.6628 9.6628 10.1702 10.1702 11.4743 11.4743 11.7724 11.7724 12.0555 12.0555 12.5904 12.5904 12.9135 12.9135 k = 0.0000 0.2558-0.0000 ( 5194 PWs) bands (ev): -2.0760 -2.0760 -1.3548 -1.3548 0.0954 0.0954 4.5436 4.5436 4.5816 4.5816 4.7313 4.7313 5.4404 5.4404 6.0800 6.0800 6.1943 6.1943 6.4831 6.4831 6.8362 6.8362 6.9610 6.9610 7.1417 7.1417 7.5836 7.5836 7.6995 7.6995 7.7776 7.7776 7.8015 7.8015 7.9545 7.9545 8.6447 8.6447 8.8670 8.8670 9.1487 9.1487 9.3887 9.3887 9.6202 9.6202 10.1740 10.1740 11.4581 11.4581 11.7919 11.7919 11.9974 11.9974 12.6363 12.6363 12.9370 12.9370 k = 0.0000 0.2674-0.0000 ( 5194 PWs) bands (ev): -2.0303 -2.0303 -1.3283 -1.3283 0.1501 0.1501 4.3949 4.3949 4.6033 4.6033 4.6894 4.6894 5.4115 5.4115 6.0857 6.0857 6.1832 6.1832 6.5026 6.5026 6.8326 6.8326 6.9395 6.9395 7.1366 7.1366 7.5708 7.5708 7.6741 7.6741 7.7523 7.7523 7.8123 7.8123 7.9347 7.9347 8.6800 8.6800 8.8700 8.8700 9.2003 9.2003 9.3341 9.3341 9.5753 9.5753 10.1631 10.1631 11.4396 11.4396 11.8167 11.8167 11.9578 11.9578 12.6843 12.6843 12.8962 12.8962 k = 0.0000 0.2791-0.0000 ( 5192 PWs) bands (ev): -1.9835 -1.9835 -1.3022 -1.3022 0.2072 0.2072 4.2443 4.2443 4.6180 4.6180 4.6472 4.6472 5.3902 5.3902 6.0911 6.0911 6.1770 6.1770 6.5228 6.5228 6.8295 6.8295 6.9167 6.9167 7.1311 7.1311 7.5570 7.5570 7.6483 7.6483 7.7270 7.7270 7.8271 7.8271 7.9180 7.9180 8.7063 8.7063 8.8841 8.8841 9.2448 9.2448 9.2887 9.2887 9.5281 9.5281 10.1372 10.1372 11.4182 11.4182 11.8445 11.8445 11.9387 11.9387 12.7313 12.7313 12.8352 12.8352 k = 0.0000 0.2907-0.0000 ( 5200 PWs) bands (ev): -1.9360 -1.9360 -1.2767 -1.2767 0.2668 0.2668 4.0949 4.0949 4.5921 4.5921 4.6342 4.6342 5.3787 5.3787 6.0962 6.0962 6.1752 6.1752 6.5434 6.5434 6.8264 6.8264 6.8933 6.8933 7.1246 7.1246 7.5429 7.5429 7.6222 7.6222 7.7030 7.7030 7.8443 7.8443 7.9045 7.9045 8.7199 8.7199 8.9130 8.9130 9.2198 9.2198 9.3141 9.3141 9.4789 9.4789 10.0976 10.0976 11.3934 11.3934 11.8723 11.8723 11.9410 11.9410 12.7435 12.7435 12.8121 12.8121 k = 0.0000 0.3023-0.0000 ( 5210 PWs) bands (ev): -1.8877 -1.8877 -1.2520 -1.2520 0.3288 0.3288 3.9470 3.9470 4.5443 4.5443 4.6309 4.6309 5.3784 5.3784 6.1015 6.1015 6.1771 6.1771 6.5643 6.5643 6.8219 6.8219 6.8714 6.8714 7.1168 7.1168 7.5289 7.5289 7.5960 7.5960 7.6803 7.6803 7.8614 7.8614 7.8964 7.8964 8.7224 8.7224 8.9553 8.9553 9.1712 9.1712 9.3629 9.3629 9.4280 9.4280 10.0476 10.0476 11.3644 11.3644 11.8986 11.8986 11.9616 11.9616 12.6946 12.6946 12.8567 12.8567 k = 0.0000 0.3140-0.0000 ( 5204 PWs) bands (ev): -1.8390 -1.8390 -1.2283 -1.2283 0.3932 0.3932 3.8008 3.8008 4.4946 4.4946 4.6178 4.6178 5.3898 5.3898 6.1073 6.1073 6.1819 6.1819 6.5855 6.5855 6.8128 6.8128 6.8546 6.8546 7.1074 7.1074 7.5148 7.5148 7.5704 7.5704 7.6589 7.6589 7.8699 7.8699 7.9021 7.9021 8.7181 8.7181 9.0068 9.0068 9.1231 9.1231 9.3755 9.3755 9.4080 9.4080 9.9922 9.9922 11.3309 11.3309 11.9231 11.9231 11.9942 11.9942 12.6460 12.6460 12.9116 12.9116 k = 0.0000 0.3256-0.0000 ( 5208 PWs) bands (ev): -1.7899 -1.7899 -1.2060 -1.2060 0.4601 0.4601 3.6564 3.6564 4.4445 4.4445 4.5950 4.5950 5.4123 5.4123 6.1138 6.1138 6.1890 6.1890 6.6066 6.6066 6.7959 6.7959 6.8465 6.8465 7.0964 7.0964 7.4994 7.4994 7.5465 7.5465 7.6386 7.6386 7.8686 7.8686 7.9225 7.9225 8.7101 8.7101 9.0643 9.0643 9.0769 9.0769 9.3221 9.3221 9.4422 9.4422 9.9398 9.9398 11.2925 11.2925 11.9391 11.9391 12.0374 12.0374 12.6113 12.6113 12.9667 12.9667 k = 0.0000 0.3372-0.0000 ( 5212 PWs) bands (ev): -1.7408 -1.7408 -1.1852 -1.1852 0.5295 0.5295 3.5140 3.5140 4.3950 4.3950 4.5640 4.5640 5.4441 5.4441 6.1209 6.1209 6.1978 6.1978 6.6270 6.6270 6.7744 6.7744 6.8445 6.8445 7.0841 7.0841 7.4809 7.4809 7.5263 7.5263 7.6192 7.6192 7.8673 7.8673 7.9484 7.9484 8.7005 8.7005 9.0324 9.0324 9.1263 9.1263 9.2679 9.2679 9.4557 9.4557 9.9027 9.9027 11.2490 11.2490 11.9366 11.9366 12.0927 12.0927 12.5969 12.5969 12.9970 12.9970 k = 0.0000 0.3488-0.0000 ( 5210 PWs) bands (ev): -1.6918 -1.6918 -1.1662 -1.1662 0.6013 0.6013 3.3736 3.3736 4.3469 4.3469 4.5268 4.5268 5.4835 5.4835 6.1285 6.1285 6.2079 6.2079 6.6455 6.6455 6.7528 6.7528 6.8455 6.8455 7.0706 7.0706 7.4581 7.4581 7.5108 7.5108 7.6006 7.6006 7.8689 7.8689 7.9770 7.9770 8.6903 8.6903 8.9903 8.9903 9.1876 9.1876 9.2170 9.2170 9.4379 9.4379 9.8934 9.8934 11.2001 11.2001 11.9112 11.9112 12.1597 12.1597 12.6055 12.6055 13.0075 13.0075 k = 0.0000 0.3605-0.0000 ( 5212 PWs) bands (ev): -1.6432 -1.6432 -1.1492 -1.1492 0.6756 0.6756 3.2353 3.2353 4.3008 4.3008 4.4854 4.4854 5.5286 5.5286 6.1364 6.1364 6.2189 6.2189 6.6584 6.6584 6.7361 6.7361 6.8483 6.8483 7.0564 7.0564 7.4321 7.4321 7.4987 7.4987 7.5825 7.5825 7.8745 7.8745 8.0076 8.0076 8.6803 8.6803 8.9506 8.9506 9.1552 9.1552 9.2622 9.2622 9.3883 9.3883 9.9144 9.9144 11.1461 11.1461 11.8649 11.8649 12.2360 12.2360 12.6348 12.6348 13.0185 13.0185 k = 0.0000 0.3721-0.0000 ( 5208 PWs) bands (ev): -1.5951 -1.5951 -1.1346 -1.1346 0.7525 0.7525 3.0993 3.0993 4.2573 4.2573 4.4413 4.4413 5.5778 5.5778 6.1442 6.1442 6.2309 6.2309 6.6579 6.6579 6.7323 6.7323 6.8525 6.8525 7.0418 7.0418 7.4041 7.4041 7.4884 7.4884 7.5650 7.5650 7.8845 7.8845 8.0399 8.0399 8.6708 8.6708 8.9132 8.9132 9.1002 9.1002 9.3114 9.3114 9.3368 9.3368 9.9581 9.9581 11.0870 11.0870 11.8026 11.8026 12.3199 12.3199 12.6795 12.6795 13.0313 13.0313 k = 0.0000 0.3837-0.0000 ( 5212 PWs) bands (ev): -1.5479 -1.5479 -1.1225 -1.1225 0.8318 0.8318 2.9656 2.9656 4.2171 4.2171 4.3962 4.3962 5.6295 5.6295 6.1515 6.1515 6.2435 6.2435 6.6431 6.6431 6.7424 6.7424 6.8580 6.8580 7.0275 7.0275 7.3751 7.3751 7.4790 7.4790 7.5480 7.5480 7.8992 7.8992 8.0738 8.0738 8.6621 8.6621 8.8782 8.8782 9.0449 9.0449 9.2292 9.2292 9.4067 9.4067 10.0158 10.0158 11.0232 11.0232 11.7292 11.7292 12.4098 12.4098 12.7341 12.7341 13.0462 13.0462 k = 0.0000 0.3953-0.0000 ( 5220 PWs) bands (ev): -1.5018 -1.5018 -1.1132 -1.1132 0.9137 0.9137 2.8343 2.8343 4.1805 4.1805 4.3511 4.3511 5.6827 5.6827 6.1577 6.1577 6.2569 6.2569 6.6216 6.6216 6.7584 6.7584 6.8646 6.8646 7.0138 7.0138 7.3456 7.3456 7.4699 7.4699 7.5316 7.5316 7.9188 7.9188 8.1090 8.1090 8.6545 8.6545 8.8456 8.8456 8.9898 8.9898 9.1376 9.1376 9.4817 9.4817 10.0822 10.0822 10.9551 10.9551 11.6484 11.6484 12.5044 12.5044 12.7938 12.7938 13.0630 13.0630 k = 0.0000 0.4070-0.0000 ( 5220 PWs) bands (ev): -1.4571 -1.4571 -1.1069 -1.1069 0.9981 0.9981 2.7054 2.7054 4.1481 4.1481 4.3070 4.3070 5.7363 5.7363 6.1624 6.1624 6.2710 6.2710 6.5980 6.5980 6.7757 6.7757 6.8724 6.8724 7.0016 7.0016 7.3158 7.3158 7.4612 7.4612 7.5159 7.5159 7.9434 7.9434 8.1455 8.1455 8.6483 8.6483 8.8155 8.8155 8.9352 8.9352 9.0436 9.0436 9.5588 9.5588 10.1542 10.1542 10.8832 10.8832 11.5627 11.5627 12.6026 12.6026 12.8551 12.8551 13.0817 13.0817 k = 0.0000 0.4186-0.0000 ( 5224 PWs) bands (ev): -1.4140 -1.4140 -1.1037 -1.1037 1.0851 1.0851 2.5790 2.5790 4.1201 4.1201 4.2648 4.2648 5.7892 5.7892 6.1650 6.1650 6.2858 6.2858 6.5737 6.5737 6.7921 6.7921 6.8807 6.8807 6.9920 6.9920 7.2858 7.2858 7.4531 7.4531 7.5009 7.5009 7.9730 7.9730 8.1829 8.1829 8.6435 8.6435 8.7878 8.7878 8.8812 8.8812 8.9498 8.9498 9.6376 9.6376 10.2302 10.2302 10.8080 10.8080 11.4738 11.4738 12.7032 12.7032 12.9149 12.9149 13.1022 13.1022 k = 0.0000 0.4302-0.0000 ( 5228 PWs) bands (ev): -1.3727 -1.3727 -1.1039 -1.1039 1.1746 1.1746 2.4552 2.4552 4.0970 4.0970 4.2252 4.2252 5.8408 5.8408 6.1650 6.1650 6.3015 6.3015 6.5494 6.5494 6.8070 6.8070 6.8882 6.8882 6.9866 6.9866 7.2558 7.2558 7.4457 7.4457 7.4869 7.4869 8.0076 8.0076 8.2209 8.2209 8.6402 8.6402 8.7624 8.7624 8.8279 8.8279 8.8582 8.8582 9.7181 9.7181 10.3090 10.3090 10.7302 10.7302 11.3830 11.3830 12.8045 12.8045 12.9710 12.9710 13.1248 13.1248 k = 0.0000 0.4419-0.0000 ( 5228 PWs) bands (ev): -1.3337 -1.3337 -1.1075 -1.1075 1.2668 1.2668 2.3339 2.3339 4.0790 4.0790 4.1888 4.1888 5.8902 5.8902 6.1618 6.1618 6.3180 6.3180 6.5253 6.5253 6.8200 6.8200 6.8929 6.8929 6.9877 6.9877 7.2259 7.2259 7.4393 7.4393 7.4740 7.4740 8.0471 8.0471 8.2588 8.2588 8.6385 8.6385 8.7392 8.7392 8.7683 8.7683 8.7782 8.7782 9.7998 9.7998 10.3897 10.3897 10.6507 10.6507 11.2911 11.2911 12.9040 12.9040 13.0211 13.0211 13.1508 13.1508 k = 0.0000 0.4535-0.0000 ( 5220 PWs) bands (ev): -1.2970 -1.2970 -1.1146 -1.1146 1.3616 1.3616 2.2153 2.2153 4.0663 4.0663 4.1560 4.1560 5.9368 5.9368 6.1550 6.1550 6.3353 6.3353 6.5017 6.5017 6.8313 6.8313 6.8930 6.8930 6.9966 6.9966 7.1962 7.1962 7.4344 7.4344 7.4623 7.4623 8.0912 8.0912 8.2955 8.2955 8.6374 8.6374 8.6884 8.6884 8.7156 8.7156 8.7296 8.7296 9.8829 9.8829 10.4682 10.4682 10.5738 10.5738 11.1986 11.1986 12.9958 12.9958 13.0638 13.0638 13.1843 13.1843 k = 0.0000 0.4651-0.0000 ( 5224 PWs) bands (ev): -1.2630 -1.2630 -1.1253 -1.1253 1.4590 1.4590 2.0993 2.0993 4.0589 4.0589 4.1273 4.1273 5.9799 5.9799 6.1440 6.1440 6.3534 6.3534 6.4785 6.4785 6.8414 6.8414 6.8892 6.8892 7.0124 7.0124 7.1668 7.1668 7.4310 7.4310 7.4521 7.4521 8.1397 8.1397 8.3276 8.3276 8.6090 8.6090 8.6462 8.6462 8.6743 8.6743 8.7037 8.7037 9.9669 9.9669 10.4711 10.4711 10.5727 10.5727 11.1060 11.1060 13.0681 13.0681 13.0977 13.0977 13.2354 13.2354 k = 0.0000 0.4767-0.0000 ( 5228 PWs) bands (ev): -1.2318 -1.2318 -1.1397 -1.1397 1.5591 1.5591 1.9859 1.9859 4.0570 4.0570 4.1032 4.1032 6.0189 6.0189 6.1286 6.1286 6.3724 6.3724 6.4559 6.4559 6.8505 6.8505 6.8829 6.8829 7.0330 7.0330 7.1379 7.1379 7.4295 7.4295 7.4437 7.4437 8.1918 8.1918 8.3468 8.3468 8.5567 8.5567 8.6285 8.6285 8.6483 8.6483 8.6874 8.6874 10.0517 10.0517 10.3922 10.3922 10.6541 10.6541 11.0137 11.0137 13.1116 13.1116 13.1220 13.1220 13.3108 13.3108 k = 0.0000 0.4884-0.0000 ( 5228 PWs) bands (ev): -1.2038 -1.2038 -1.1576 -1.1576 1.6618 1.6618 1.8752 1.8752 4.0606 4.0606 4.0839 4.0839 6.0535 6.0535 6.1084 6.1084 6.3922 6.3922 6.4340 6.4340 6.8591 6.8591 6.8754 6.8754 7.0568 7.0568 7.1098 7.1098 7.4300 7.4300 7.4371 7.4371 8.2459 8.2459 8.3374 8.3374 8.5365 8.5365 8.5862 8.5862 8.6544 8.6544 8.6740 8.6740 10.1370 10.1370 10.3079 10.3079 10.7417 10.7417 10.9220 10.9220 13.1327 13.1327 13.1361 13.1361 13.3953 13.3953 k = 0.0000 0.5000-0.0000 ( 5240 PWs) bands (ev): -1.1790 -1.1790 -1.1790 -1.1790 1.7671 1.7671 1.7671 1.7671 4.0696 4.0696 4.0696 4.0696 6.0834 6.0834 6.0834 6.0834 6.4127 6.4127 6.4127 6.4127 6.8674 6.8674 6.8674 6.8674 7.0826 7.0826 7.0826 7.0826 7.4324 7.4324 7.4324 7.4324 8.2981 8.2981 8.2981 8.2981 8.5520 8.5520 8.5520 8.5520 8.6630 8.6630 8.6630 8.6630 10.2225 10.2225 10.2225 10.2225 10.8312 10.8312 10.8312 10.8312 13.1399 13.1399 13.1399 13.1399 13.4266 13.4266 k = 0.0000 0.5000-0.0000 ( 5240 PWs) bands (ev): -1.1790 -1.1790 -1.1790 -1.1790 1.7671 1.7671 1.7671 1.7671 4.0696 4.0696 4.0696 4.0696 6.0834 6.0834 6.0834 6.0834 6.4127 6.4127 6.4127 6.4127 6.8674 6.8674 6.8674 6.8674 7.0826 7.0826 7.0826 7.0826 7.4324 7.4324 7.4324 7.4324 8.2981 8.2981 8.2981 8.2981 8.5520 8.5520 8.5520 8.5520 8.6630 8.6630 8.6630 8.6630 10.2225 10.2225 10.2225 10.2225 10.8312 10.8312 10.8312 10.8312 13.1399 13.1399 13.1399 13.1399 13.4266 13.4266 k = 0.0116 0.5000-0.0000 ( 5244 PWs) bands (ev): -1.1785 -1.1785 -1.1784 -1.1784 1.7682 1.7682 1.7688 1.7688 4.0701 4.0701 4.0706 4.0706 6.0831 6.0831 6.0840 6.0840 6.4113 6.4113 6.4122 6.4122 6.8668 6.8668 6.8674 6.8674 7.0807 7.0807 7.0827 7.0827 7.4318 7.4318 7.4342 7.4342 8.2906 8.2906 8.2996 8.2996 8.5505 8.5505 8.5527 8.5527 8.6612 8.6612 8.6670 8.6670 10.1974 10.1974 10.2120 10.2120 10.8396 10.8396 10.8545 10.8545 13.1380 13.1380 13.1395 13.1395 13.4192 13.4194 k = 0.0233 0.5000-0.0000 ( 5250 PWs) bands (ev): -1.1770 -1.1770 -1.1769 -1.1769 1.7719 1.7719 1.7731 1.7731 4.0721 4.0721 4.0731 4.0731 6.0833 6.0833 6.0851 6.0851 6.4081 6.4081 6.4097 6.4097 6.8655 6.8655 6.8666 6.8666 7.0773 7.0773 7.0812 7.0812 7.4324 7.4324 7.4370 7.4370 8.2776 8.2776 8.2949 8.2949 8.5483 8.5483 8.5528 8.5528 8.6617 8.6617 8.6726 8.6726 10.1433 10.1433 10.1684 10.1684 10.8769 10.8769 10.9029 10.9029 13.1337 13.1337 13.1366 13.1366 13.4015 13.4023 k = 0.0349 0.5000-0.0000 ( 5238 PWs) bands (ev): -1.1746 -1.1746 -1.1743 -1.1743 1.7783 1.7783 1.7801 1.7801 4.0756 4.0756 4.0770 4.0770 6.0838 6.0838 6.0865 6.0865 6.4030 6.4030 6.4054 6.4054 6.8636 6.8636 6.8653 6.8653 7.0724 7.0724 7.0781 7.0781 7.4340 7.4340 7.4408 7.4408 8.2601 8.2601 8.2846 8.2846 8.5456 8.5456 8.5524 8.5524 8.6640 8.6640 8.6787 8.6787 10.0701 10.0701 10.1012 10.1012 10.9342 10.9342 10.9667 10.9667 13.1259 13.1259 13.1301 13.1301 13.3762 13.3780 k = 0.0465 0.5000-0.0000 ( 5246 PWs) bands (ev): -1.1711 -1.1711 -1.1708 -1.1708 1.7874 1.7874 1.7898 1.7898 4.0806 4.0806 4.0824 4.0824 6.0846 6.0846 6.0883 6.0883 6.3960 6.3960 6.3993 6.3993 6.8608 6.8608 6.8632 6.8632 7.0661 7.0661 7.0733 7.0733 7.4365 7.4365 7.4454 7.4454 8.2389 8.2389 8.2694 8.2694 8.5423 8.5423 8.5515 8.5515 8.6669 8.6669 8.6840 8.6840 9.9855 9.9855 10.0194 10.0194 11.0029 11.0029 11.0389 11.0389 13.1133 13.1133 13.1183 13.1183 13.3455 13.3458 k = 0.0581 0.5000-0.0000 ( 5234 PWs) bands (ev): -1.1667 -1.1667 -1.1663 -1.1663 1.7991 1.7991 1.8021 1.8021 4.0869 4.0869 4.0892 4.0892 6.0857 6.0857 6.0903 6.0903 6.3875 6.3875 6.3915 6.3915 6.8572 6.8572 6.8603 6.8603 7.0587 7.0587 7.0669 7.0669 7.4401 7.4401 7.4508 7.4508 8.2151 8.2151 8.2503 8.2503 8.5387 8.5387 8.5503 8.5503 8.6692 8.6692 8.6871 8.6871 9.8946 9.8946 9.9292 9.9292 11.0774 11.0774 11.1151 11.1151 13.0946 13.0946 13.0998 13.0998 13.3110 13.3111 k = 0.0698 0.5000-0.0000 ( 5226 PWs) bands (ev): -1.1613 -1.1613 -1.1608 -1.1608 1.8135 1.8135 1.8171 1.8171 4.0946 4.0946 4.0972 4.0972 6.0869 6.0869 6.0927 6.0927 6.3773 6.3773 6.3821 6.3821 6.8527 6.8527 6.8566 6.8566 7.0502 7.0502 7.0590 7.0590 7.4442 7.4442 7.4567 7.4567 8.1896 8.1896 8.2282 8.2282 8.5349 8.5349 8.5488 8.5488 8.6692 8.6692 8.6867 8.6867 9.8009 9.8009 9.8346 9.8346 11.1544 11.1544 11.1927 11.1927 13.0690 13.0690 13.0740 13.0740 13.2727 13.2731 k = 0.0814 0.5000-0.0000 ( 5218 PWs) bands (ev): -1.1549 -1.1549 -1.1544 -1.1544 1.8306 1.8306 1.8347 1.8347 4.1036 4.1036 4.1065 4.1065 6.0883 6.0883 6.0952 6.0952 6.3658 6.3658 6.3712 6.3712 6.8473 6.8473 6.8519 6.8519 7.0407 7.0407 7.0495 7.0495 7.4490 7.4490 7.4629 7.4629 8.1631 8.1631 8.2043 8.2043 8.5309 8.5309 8.5470 8.5470 8.6654 8.6654 8.6810 8.6810 9.7073 9.7073 9.7389 9.7389 11.2321 11.2321 11.2703 11.2703 13.0370 13.0370 13.0416 13.0416 13.2308 13.2309 k = 0.0930 0.5000-0.0000 ( 5210 PWs) bands (ev): -1.1477 -1.1477 -1.1470 -1.1470 1.8503 1.8503 1.8550 1.8550 4.1138 4.1138 4.1168 4.1168 6.0897 6.0897 6.0978 6.0978 6.3529 6.3529 6.3590 6.3590 6.8409 6.8409 6.8462 6.8462 7.0305 7.0305 7.0385 7.0385 7.4543 7.4543 7.4692 7.4692 8.1362 8.1362 8.1790 8.1790 8.5268 8.5268 8.5450 8.5450 8.6559 8.6559 8.6685 8.6685 9.6164 9.6164 9.6448 9.6448 11.3090 11.3090 11.3468 11.3468 12.9997 12.9997 13.0044 13.0044 13.1866 13.1870 k = 0.1047 0.5000-0.0000 ( 5206 PWs) bands (ev): -1.1395 -1.1395 -1.1388 -1.1388 1.8726 1.8726 1.8778 1.8778 4.1251 4.1251 4.1282 4.1282 6.0910 6.0910 6.1004 6.1004 6.3388 6.3388 6.3456 6.3456 6.8337 6.8337 6.8395 6.8395 7.0196 7.0196 7.0259 7.0259 7.4600 7.4600 7.4757 7.4757 8.1095 8.1095 8.1531 8.1531 8.5225 8.5225 8.5427 8.5427 8.6389 8.6389 8.6471 8.6471 9.5308 9.5308 9.5547 9.5547 11.3844 11.3844 11.4215 11.4215 12.9591 12.9591 12.9644 12.9644 13.1420 13.1422 k = 0.1163 0.5000-0.0000 ( 5218 PWs) bands (ev): -1.1305 -1.1305 -1.1297 -1.1297 1.8974 1.8974 1.9033 1.9033 4.1373 4.1373 4.1405 4.1405 6.0920 6.0920 6.1028 6.1028 6.3238 6.3238 6.3311 6.3311 6.8256 6.8256 6.8316 6.8316 7.0082 7.0082 7.0116 7.0116 7.4661 7.4661 7.4821 7.4821 8.0833 8.0833 8.1270 8.1270 8.5179 8.5179 8.5398 8.5398 8.6128 8.6128 8.6156 8.6156 9.4529 9.4529 9.4713 9.4713 11.4573 11.4573 11.4938 11.4938 12.9172 12.9172 12.9234 12.9234 13.0985 13.0992 k = 0.1279 0.5000-0.0000 ( 5218 PWs) bands (ev): -1.1207 -1.1207 -1.1199 -1.1199 1.9249 1.9249 1.9313 1.9313 4.1505 4.1505 4.1536 4.1536 6.0925 6.0925 6.1048 6.1048 6.3080 6.3080 6.3159 6.3159 6.8167 6.8167 6.8227 6.8227 6.9959 6.9959 6.9964 6.9964 7.4726 7.4726 7.4885 7.4885 8.0578 8.0578 8.1009 8.1009 8.5116 8.5116 8.5332 8.5332 8.5754 8.5754 8.5771 8.5771 9.3847 9.3847 9.3970 9.3970 11.5272 11.5272 11.5632 11.5632 12.8762 12.8762 12.8831 12.8831 13.0578 13.0579 k = 0.1395 0.5000-0.0000 ( 5210 PWs) bands (ev): -1.1101 -1.1101 -1.1092 -1.1092 1.9549 1.9549 1.9618 1.9618 4.1643 4.1643 4.1672 4.1672 6.0924 6.0924 6.1062 6.1062 6.2917 6.2917 6.3000 6.3000 6.8070 6.8070 6.8127 6.8127 6.9787 6.9787 6.9843 6.9843 7.4793 7.4793 7.4947 7.4947 8.0330 8.0330 8.0749 8.0749 8.4946 8.4946 8.4998 8.4998 8.5398 8.5398 8.5491 8.5491 9.3273 9.3273 9.3331 9.3331 11.5934 11.5934 11.6291 11.6291 12.8379 12.8379 12.8451 12.8451 13.0206 13.0206 k = 0.1512 0.5000-0.0000 ( 5214 PWs) bands (ev): -1.0988 -1.0988 -1.0978 -1.0978 1.9875 1.9875 1.9949 1.9949 4.1787 4.1787 4.1813 4.1813 6.0913 6.0913 6.1068 6.1068 6.2750 6.2750 6.2837 6.2837 6.7967 6.7967 6.8016 6.8016 6.9602 6.9602 6.9721 6.9721 7.4863 7.4863 7.5008 7.5008 8.0086 8.0086 8.0487 8.0487 8.4335 8.4335 8.4451 8.4451 8.5233 8.5233 8.5439 8.5439 9.2803 9.2803 9.2806 9.2806 11.6551 11.6551 11.6908 11.6908 12.8042 12.8042 12.8110 12.8110 12.9875 12.9876 k = 0.1628 0.5000-0.0000 ( 5214 PWs) bands (ev): -1.0868 -1.0868 -1.0857 -1.0857 2.0225 2.0225 2.0304 2.0304 4.1934 4.1934 4.1956 4.1956 6.0890 6.0890 6.1062 6.1062 6.2584 6.2584 6.2674 6.2674 6.7857 6.7857 6.7897 6.7897 6.9408 6.9408 6.9600 6.9600 7.4935 7.4935 7.5066 7.5066 7.9842 7.9842 8.0216 8.0216 8.3538 8.3538 8.3739 8.3739 8.5186 8.5186 8.5426 8.5426 9.2376 9.2376 9.2433 9.2433 11.7116 11.7116 11.7479 11.7479 12.7766 12.7766 12.7821 12.7821 12.9589 12.9590 k = 0.1744 0.5000-0.0000 ( 5214 PWs) bands (ev): -1.0742 -1.0742 -1.0730 -1.0730 2.0600 2.0600 2.0684 2.0684 4.2084 4.2084 4.2101 4.2101 6.0850 6.0850 6.1040 6.1040 6.2422 6.2422 6.2513 6.2513 6.7741 6.7741 6.7768 6.7768 6.9208 6.9208 6.9480 6.9480 7.5007 7.5007 7.5123 7.5123 7.9587 7.9587 7.9923 7.9923 8.2666 8.2666 8.2933 8.2933 8.5170 8.5170 8.5426 8.5426 9.2033 9.2033 9.2133 9.2133 11.7625 11.7625 11.7998 11.7998 12.7566 12.7566 12.7596 12.7596 12.9350 12.9350 k = 0.1860 0.5000-0.0000 ( 5210 PWs) bands (ev): -1.0610 -1.0610 -1.0598 -1.0598 2.1000 2.1000 2.1087 2.1087 4.2235 4.2235 4.2245 4.2245 6.0789 6.0789 6.0997 6.0997 6.2267 6.2267 6.2358 6.2358 6.7620 6.7620 6.7631 6.7631 6.9005 6.9005 6.9365 6.9365 7.5078 7.5078 7.5177 7.5177 7.9296 7.9296 7.9580 7.9580 8.1772 8.1772 8.2102 8.2102 8.5170 8.5170 8.5436 8.5436 9.1753 9.1753 9.1888 9.1888 11.8073 11.8073 11.8461 11.8461 12.7443 12.7443 12.7452 12.7452 12.9158 12.9158 k = 0.1977 0.5000-0.0000 ( 5216 PWs) bands (ev): -1.0473 -1.0473 -1.0460 -1.0460 2.1423 2.1423 2.1515 2.1515 4.2383 4.2383 4.2386 4.2386 6.0702 6.0702 6.0929 6.0929 6.2124 6.2124 6.2213 6.2213 6.7488 6.7488 6.7491 6.7491 6.8807 6.8807 6.9256 6.9256 7.5144 7.5144 7.5225 7.5225 7.8921 7.8921 7.9135 7.9135 8.0930 8.0930 8.1324 8.1324 8.5183 8.5183 8.5455 8.5455 9.1516 9.1516 9.1679 9.1679 11.8460 11.8460 11.8868 11.8868 12.7368 12.7368 12.7426 12.7426 12.9015 12.9015 k = 0.2093 0.5000-0.0000 ( 5222 PWs) bands (ev): -1.0331 -1.0331 -1.0318 -1.0318 2.1869 2.1869 2.1966 2.1966 4.2522 4.2522 4.2529 4.2529 6.0587 6.0587 6.0834 6.0834 6.1994 6.1994 6.2078 6.2078 6.7340 6.7340 6.7354 6.7354 6.8618 6.8618 6.9154 6.9154 7.5195 7.5195 7.5264 7.5264 7.8385 7.8385 7.8525 7.8525 8.0241 8.0241 8.0687 8.0687 8.5207 8.5207 8.5482 8.5482 9.1306 9.1306 9.1491 9.1491 11.8793 11.8793 11.9223 11.9223 12.7368 12.7368 12.7488 12.7488 12.8923 12.8923 k = 0.2209 0.5000-0.0000 ( 5230 PWs) bands (ev): -1.0185 -1.0185 -1.0172 -1.0172 2.2339 2.2339 2.2439 2.2439 4.2653 4.2653 4.2669 4.2669 6.0441 6.0441 6.0709 6.0709 6.1880 6.1880 6.1952 6.1952 6.7187 6.7187 6.7209 6.7209 6.8445 6.8445 6.9062 6.9062 7.5213 7.5213 7.5284 7.5284 7.7665 7.7665 7.7746 7.7746 7.9762 7.9762 8.0223 8.0223 8.5242 8.5242 8.5518 8.5518 9.1109 9.1109 9.1312 9.1312 11.9079 11.9079 11.9533 11.9533 12.7437 12.7437 12.7628 12.7629 12.8882 12.8882 k = 0.2326 0.5000-0.0000 ( 5230 PWs) bands (ev): -1.0036 -1.0036 -1.0022 -1.0022 2.2831 2.2831 2.2935 2.2935 4.2775 4.2775 4.2801 4.2801 6.0266 6.0266 6.0555 6.0555 6.1778 6.1778 6.1833 6.1833 6.7033 6.7033 6.7054 6.7054 6.8293 6.8293 6.8980 6.8980 7.5137 7.5137 7.5249 7.5249 7.6891 7.6891 7.6893 7.6893 7.9436 7.9436 7.9885 7.9885 8.5288 8.5288 8.5562 8.5562 9.0916 9.0916 9.1136 9.1136 11.9334 11.9334 11.9809 11.9809 12.7560 12.7560 12.7835 12.7835 12.8895 12.8895 k = 0.2442 0.5000-0.0000 ( 5238 PWs) bands (ev): -0.9885 -0.9885 -0.9871 -0.9871 2.3345 2.3345 2.3452 2.3452 4.2887 4.2887 4.2925 4.2925 6.0061 6.0061 6.0376 6.0376 6.1685 6.1685 6.1715 6.1715 6.6877 6.6877 6.6891 6.6891 6.8165 6.8165 6.8911 6.8911 7.4803 7.4803 7.5020 7.5020 7.6170 7.6170 7.6308 7.6308 7.9190 7.9190 7.9621 7.9621 8.5343 8.5343 8.5615 8.5615 9.0721 9.0721 9.0956 9.0956 11.9571 11.9571 12.0067 12.0067 12.7725 12.7725 12.8091 12.8091 12.8962 12.8962 k = 0.2558 0.5000-0.0000 ( 5238 PWs) bands (ev): -0.9732 -0.9732 -0.9718 -0.9718 2.3880 2.3880 2.3990 2.3990 4.2989 4.2989 4.3038 4.3038 5.9828 5.9828 6.0170 6.0170 6.1591 6.1591 6.1597 6.1597 6.6722 6.6722 6.6722 6.6722 6.8065 6.8065 6.8855 6.8855 7.4105 7.4105 7.4362 7.4362 7.5855 7.5855 7.6074 7.6074 7.8983 7.8983 7.9397 7.9397 8.5408 8.5408 8.5675 8.5675 9.0520 9.0520 9.0768 9.0768 11.9805 11.9805 12.0319 12.0319 12.7915 12.7915 12.8378 12.8378 12.9084 12.9084 k = 0.2674 0.5000-0.0000 ( 5230 PWs) bands (ev): -0.9578 -0.9578 -0.9564 -0.9564 2.4435 2.4435 2.4548 2.4548 4.3078 4.3078 4.3139 4.3139 5.9568 5.9568 5.9939 5.9939 6.1457 6.1457 6.1512 6.1512 6.6550 6.6550 6.6568 6.6568 6.7992 6.7992 6.8812 6.8812 7.3228 7.3228 7.3463 7.3463 7.5787 7.5787 7.6031 7.6031 7.8797 7.8797 7.9197 7.9197 8.5480 8.5480 8.5742 8.5742 9.0310 9.0310 9.0570 9.0570 12.0050 12.0050 12.0578 12.0578 12.8122 12.8122 12.8675 12.8675 12.9253 12.9253 k = 0.2791 0.5000-0.0000 ( 5222 PWs) bands (ev): -0.9424 -0.9424 -0.9410 -0.9410 2.5009 2.5009 2.5125 2.5125 4.3155 4.3155 4.3227 4.3227 5.9277 5.9277 5.9679 5.9679 6.1312 6.1312 6.1425 6.1425 6.6379 6.6379 6.6416 6.6416 6.7946 6.7946 6.8782 6.8782 7.2319 7.2319 7.2527 7.2527 7.5784 7.5784 7.6050 7.6050 7.8623 7.8623 7.9011 7.9011 8.5560 8.5560 8.5815 8.5815 9.0091 9.0091 9.0362 9.0362 12.0316 12.0316 12.0855 12.0855 12.8342 12.8342 12.8966 12.8966 12.9461 12.9461 k = 0.2907 0.5000-0.0000 ( 5226 PWs) bands (ev): -0.9271 -0.9271 -0.9257 -0.9257 2.5602 2.5602 2.5720 2.5720 4.3218 4.3218 4.3301 4.3301 5.8954 5.8954 5.9381 5.9381 6.1155 6.1155 6.1335 6.1335 6.6213 6.6213 6.6266 6.6266 6.7926 6.7926 6.8764 6.8764 7.1434 7.1434 7.1617 7.1617 7.5797 7.5797 7.6088 7.6088 7.8455 7.8455 7.8834 7.8834 8.5646 8.5646 8.5893 8.5893 8.9863 8.9863 9.0144 9.0144 12.0609 12.0609 12.1159 12.1159 12.8576 12.8576 12.9243 12.9243 12.9696 12.9696 k = 0.3023 0.5000-0.0000 ( 5222 PWs) bands (ev): -0.9120 -0.9120 -0.9105 -0.9105 2.6212 2.6212 2.6331 2.6331 4.3267 4.3267 4.3360 4.3360 5.8592 5.8592 5.9038 5.9038 6.0992 6.0992 6.1241 6.1241 6.6054 6.6054 6.6117 6.6117 6.7930 6.7930 6.8754 6.8754 7.0600 7.0600 7.0767 7.0767 7.5813 7.5813 7.6132 7.6132 7.8293 7.8293 7.8664 7.8664 8.5737 8.5737 8.5975 8.5975 8.9628 8.9628 8.9917 8.9917 12.0936 12.0936 12.1493 12.1493 12.8829 12.8829 12.9515 12.9515 12.9944 12.9944 k = 0.3140 0.5000-0.0000 ( 5214 PWs) bands (ev): -0.8971 -0.8971 -0.8956 -0.8956 2.6838 2.6838 2.6958 2.6958 4.3303 4.3303 4.3405 4.3405 5.8187 5.8187 5.8639 5.8639 6.0827 6.0827 6.1143 6.1143 6.5904 6.5904 6.5970 6.5970 6.7957 6.7957 6.8733 6.8733 6.9835 6.9835 7.0012 7.0012 7.5824 7.5824 7.6172 7.6172 7.8134 7.8134 7.8500 7.8500 8.5832 8.5832 8.6060 8.6060 8.9388 8.9388 8.9682 8.9682 12.1297 12.1297 12.1860 12.1860 12.9104 12.9104 12.9797 12.9797 13.0196 13.0196 k = 0.3256 0.5000-0.0000 ( 5202 PWs) bands (ev): -0.8825 -0.8825 -0.8811 -0.8811 2.7478 2.7478 2.7599 2.7599 4.3326 4.3326 4.3435 4.3435 5.7734 5.7734 5.8174 5.8174 6.0669 6.0669 6.1041 6.1041 6.5765 6.5765 6.5824 6.5824 6.8000 6.8000 6.8629 6.8629 6.9153 6.9153 6.9435 6.9435 7.5828 7.5828 7.6204 7.6204 7.7980 7.7980 7.8340 7.8340 8.5928 8.5928 8.6146 8.6146 8.9145 8.9145 8.9443 8.9443 12.1692 12.1692 12.2260 12.2260 12.9403 12.9403 13.0098 13.0098 13.0447 13.0447 k = 0.3372 0.5000-0.0000 ( 5194 PWs) bands (ev): -0.8684 -0.8684 -0.8669 -0.8669 2.8130 2.8130 2.8251 2.8251 4.3337 4.3337 4.3451 4.3451 5.7227 5.7227 5.7641 5.7641 6.0523 6.0523 6.0938 6.0938 6.5636 6.5636 6.5677 6.5677 6.8031 6.8031 6.8297 6.8297 6.8587 6.8587 6.9194 6.9194 7.5821 7.5821 7.6223 7.6223 7.7829 7.7829 7.8184 7.8184 8.6027 8.6027 8.6234 8.6234 8.8904 8.8904 8.9202 8.9202 12.2120 12.2120 12.2690 12.2690 12.9729 12.9729 13.0424 13.0424 13.0695 13.0695 k = 0.3488 0.5000-0.0000 ( 5198 PWs) bands (ev): -0.8547 -0.8547 -0.8534 -0.8534 2.8791 2.8791 2.8913 2.8913 4.3337 4.3337 4.3455 4.3455 5.6667 5.6667 5.7040 5.7040 6.0393 6.0393 6.0834 6.0834 6.5518 6.5518 6.5531 6.5531 6.7842 6.7842 6.7849 6.7849 6.8337 6.8337 6.9183 6.9183 7.5801 7.5801 7.6227 7.6227 7.7685 7.7685 7.8033 7.8033 8.6124 8.6124 8.6321 8.6321 8.8666 8.8666 8.8961 8.8961 12.2574 12.2574 12.3145 12.3145 13.0082 13.0082 13.0775 13.0775 13.0940 13.0940 k = 0.3605 0.5000-0.0000 ( 5206 PWs) bands (ev): -0.8417 -0.8417 -0.8404 -0.8404 2.9460 2.9460 2.9580 2.9580 4.3328 4.3328 4.3447 4.3447 5.6056 5.6056 5.6381 5.6381 6.0281 6.0281 6.0732 6.0732 6.5386 6.5386 6.5408 6.5408 6.7417 6.7417 6.7452 6.7452 6.8399 6.8399 6.9249 6.9249 7.5765 7.5765 7.6210 7.6210 7.7551 7.7551 7.7889 7.7889 8.6221 8.6221 8.6406 8.6406 8.8437 8.8437 8.8725 8.8725 12.3048 12.3048 12.3618 12.3618 13.0460 13.0460 13.1145 13.1145 13.1189 13.1189 k = 0.3721 0.5000-0.0000 ( 5198 PWs) bands (ev): -0.8293 -0.8293 -0.8280 -0.8280 3.0132 3.0132 3.0251 3.0251 4.3311 4.3311 4.3429 4.3429 5.5401 5.5401 5.5674 5.5674 6.0187 6.0187 6.0633 6.0633 6.5244 6.5244 6.5307 6.5307 6.7057 6.7057 6.7080 6.7080 6.8530 6.8530 6.9350 6.9350 7.5713 7.5713 7.6169 7.6169 7.7431 7.7431 7.7753 7.7753 8.6315 8.6315 8.6488 8.6488 8.8218 8.8218 8.8496 8.8496 12.3534 12.3534 12.4098 12.4098 13.0860 13.0860 13.1451 13.1451 13.1517 13.1517 k = 0.3837 0.5000-0.0000 ( 5198 PWs) bands (ev): -0.8177 -0.8177 -0.8165 -0.8165 3.0803 3.0803 3.0919 3.0919 4.3288 4.3288 4.3404 4.3404 5.4714 5.4714 5.4935 5.4935 6.0109 6.0109 6.0539 6.0539 6.5108 6.5108 6.5213 6.5213 6.6761 6.6761 6.6763 6.6763 6.8689 6.8689 6.9472 6.9472 7.5641 7.5641 7.6100 7.6100 7.7327 7.7327 7.7627 7.7627 8.6404 8.6404 8.6567 8.6567 8.8014 8.8014 8.8278 8.8278 12.4022 12.4022 12.4573 12.4573 13.1273 13.1273 13.1741 13.1741 13.1850 13.1850 k = 0.3953 0.5000-0.0000 ( 5196 PWs) bands (ev): -0.8069 -0.8069 -0.8058 -0.8058 3.1468 3.1468 3.1580 3.1580 4.3262 4.3262 4.3373 4.3373 5.4006 5.4006 5.4180 5.4180 6.0046 6.0046 6.0451 6.0451 6.4983 6.4983 6.5124 6.5124 6.6497 6.6497 6.6526 6.6526 6.8867 6.8867 6.9610 6.9610 7.5552 7.5552 7.6001 7.6001 7.7243 7.7243 7.7514 7.7514 8.6489 8.6489 8.6640 8.6640 8.7827 8.7827 8.8072 8.8072 12.4499 12.4499 12.5030 12.5030 13.1676 13.1676 13.2091 13.2091 13.2150 13.2150 k = 0.4070 0.5000-0.0000 ( 5198 PWs) bands (ev): -0.7970 -0.7970 -0.7960 -0.7960 3.2119 3.2119 3.2226 3.2226 4.3233 4.3233 4.3337 4.3337 5.3293 5.3293 5.3426 5.3426 5.9997 5.9997 6.0369 6.0369 6.4871 6.4871 6.5038 6.5038 6.6282 6.6282 6.6335 6.6335 6.9060 6.9060 6.9757 6.9757 7.5445 7.5445 7.5876 7.5876 7.7179 7.7179 7.7415 7.7415 8.6567 8.6567 8.6706 8.6706 8.7659 8.7659 8.7882 8.7882 12.4955 12.4955 12.5456 12.5456 13.2049 13.2049 13.2447 13.2447 13.2527 13.2527 k = 0.4186 0.5000-0.0000 ( 5202 PWs) bands (ev): -0.7881 -0.7881 -0.7872 -0.7872 3.2749 3.2749 3.2850 3.2850 4.3205 4.3205 4.3300 4.3300 5.2590 5.2590 5.2688 5.2688 5.9960 5.9960 6.0293 6.0293 6.4776 6.4776 6.4957 6.4957 6.6110 6.6110 6.6182 6.6182 6.9262 6.9262 6.9908 6.9908 7.5324 7.5324 7.5729 7.5729 7.7131 7.7131 7.7329 7.7329 8.6637 8.6637 8.6765 8.6765 8.7513 8.7513 8.7709 8.7709 12.5377 12.5377 12.5837 12.5837 13.2402 13.2402 13.2755 13.2755 13.3039 13.3039 k = 0.4302 0.5000-0.0000 ( 5190 PWs) bands (ev): -0.7803 -0.7803 -0.7795 -0.7795 3.3347 3.3347 3.3439 3.3439 4.3178 4.3178 4.3263 4.3263 5.1917 5.1917 5.1986 5.1986 5.9934 5.9934 6.0225 6.0225 6.4698 6.4698 6.4880 6.4880 6.5976 6.5976 6.6058 6.6058 6.9471 6.9471 7.0058 7.0058 7.5195 7.5195 7.5567 7.5567 7.7097 7.7097 7.7258 7.7258 8.6698 8.6698 8.6815 8.6815 8.7390 8.7390 8.7557 8.7557 12.5755 12.5755 12.6165 12.6165 13.2753 13.2753 13.3074 13.3074 13.3606 13.3606 k = 0.4419 0.5000-0.0000 ( 5198 PWs) bands (ev): -0.7735 -0.7735 -0.7728 -0.7728 3.3899 3.3899 3.3982 3.3982 4.3154 4.3154 4.3227 4.3227 5.1292 5.1292 5.1338 5.1338 5.9917 5.9917 6.0163 6.0163 6.4637 6.4637 6.4808 6.4808 6.5875 6.5875 6.5958 6.5958 6.9678 6.9678 7.0197 7.0197 7.5066 7.5066 7.5399 7.5399 7.7073 7.7073 7.7200 7.7200 8.6749 8.6749 8.6854 8.6854 8.7292 8.7292 8.7426 8.7426 12.6082 12.6082 12.6432 12.6432 13.3105 13.3105 13.3396 13.3396 13.4209 13.4209 k = 0.4535 0.5000-0.0000 ( 5196 PWs) bands (ev): -0.7679 -0.7679 -0.7674 -0.7674 3.4391 3.4391 3.4461 3.4461 4.3135 4.3135 4.3195 4.3195 5.0736 5.0736 5.0764 5.0764 5.9909 5.9909 6.0108 6.0108 6.4593 6.4593 6.4742 6.4742 6.5801 6.5801 6.5878 6.5878 6.9878 6.9878 7.0318 7.0318 7.4948 7.4948 7.5233 7.5233 7.7058 7.7058 7.7154 7.7154 8.6787 8.6787 8.6881 8.6881 8.7220 8.7220 8.7320 8.7320 12.6355 12.6355 12.6639 12.6639 13.3446 13.3446 13.3704 13.3704 13.4831 13.4831 k = 0.4651 0.5000-0.0000 ( 5200 PWs) bands (ev): -0.7635 -0.7635 -0.7631 -0.7631 3.4804 3.4804 3.4860 3.4860 4.3121 4.3121 4.3167 4.3167 5.0270 5.0270 5.0286 5.0286 5.9910 5.9910 6.0060 6.0060 6.4565 6.4565 6.4684 6.4684 6.5752 6.5752 6.5815 6.5815 7.0063 7.0063 7.0411 7.0411 7.4850 7.4850 7.5079 7.5079 7.7049 7.7049 7.7118 7.7118 8.6813 8.6813 8.6893 8.6893 8.7173 8.7173 8.7241 8.7241 12.6572 12.6572 12.6787 12.6787 13.3761 13.3761 13.3977 13.3977 13.5448 13.5448 k = 0.4767 0.5000-0.0000 ( 5192 PWs) bands (ev): -0.7603 -0.7603 -0.7600 -0.7600 3.5121 3.5121 3.5159 3.5159 4.3113 4.3113 4.3144 4.3144 4.9916 4.9916 4.9924 4.9924 5.9918 5.9918 6.0018 6.0018 6.4553 6.4553 6.4635 6.4635 6.5722 6.5722 6.5767 6.5767 7.0224 7.0224 7.0466 7.0466 7.4785 7.4785 7.4946 7.4946 7.7047 7.7047 7.7090 7.7090 8.6831 8.6831 8.6890 8.6890 8.7148 8.7148 8.7188 8.7188 12.6735 12.6735 12.6879 12.6879 13.4027 13.4027 13.4186 13.4186 13.6018 13.6018 k = 0.4884 0.5000-0.0000 ( 5196 PWs) bands (ev): -0.7583 -0.7583 -0.7582 -0.7582 3.5323 3.5323 3.5343 3.5343 4.3112 4.3112 4.3127 4.3127 4.9695 4.9695 4.9698 4.9698 5.9933 5.9933 5.9983 5.9983 6.4554 6.4554 6.4596 6.4596 6.5710 6.5710 6.5733 6.5733 7.0351 7.0351 7.0476 7.0476 7.4760 7.4760 7.4843 7.4843 7.7049 7.7049 7.7070 7.7070 8.6846 8.6846 8.6877 8.6877 8.7140 8.7140 8.7158 8.7158 12.6846 12.6846 12.6918 12.6918 13.4220 13.4220 13.4305 13.4305 13.6468 13.6468 k = 0.5000 0.5000-0.0000 ( 5184 PWs) bands (ev): -0.7576 -0.7576 -0.7576 -0.7576 3.5399 3.5399 3.5399 3.5399 4.3117 4.3117 4.3117 4.3117 4.9621 4.9621 4.9621 4.9621 5.9955 5.9955 5.9955 5.9955 6.4569 6.4569 6.4569 6.4569 6.5715 6.5715 6.5715 6.5715 7.0437 7.0437 7.0437 7.0437 7.4779 7.4779 7.4779 7.4779 7.7057 7.7057 7.7057 7.7057 8.6861 8.6861 8.6861 8.6861 8.7144 8.7144 8.7144 8.7144 12.6907 12.6907 12.6907 12.6907 13.4316 13.4316 13.4316 13.4316 13.6658 13.6658 k = 0.5000 0.5000-0.0000 ( 5184 PWs) bands (ev): -0.7576 -0.7576 -0.7576 -0.7576 3.5399 3.5399 3.5399 3.5399 4.3117 4.3117 4.3117 4.3117 4.9621 4.9621 4.9621 4.9621 5.9955 5.9955 5.9955 5.9955 6.4569 6.4569 6.4569 6.4569 6.5715 6.5715 6.5715 6.5715 7.0437 7.0437 7.0437 7.0437 7.4779 7.4779 7.4779 7.4779 7.7057 7.7057 7.7057 7.7057 8.6861 8.6861 8.6861 8.6861 8.7144 8.7144 8.7144 8.7144 12.6907 12.6907 12.6907 12.6907 13.4316 13.4316 13.4316 13.4316 13.6658 13.6658 k = 0.4918 0.4918-0.0000 ( 5190 PWs) bands (ev): -0.7587 -0.7587 -0.7578 -0.7578 3.5255 3.5255 3.5413 3.5413 4.3108 4.3108 4.3132 4.3132 4.9622 4.9622 4.9770 4.9770 5.9933 5.9933 5.9983 5.9983 6.4554 6.4554 6.4596 6.4596 6.5710 6.5710 6.5734 6.5734 7.0348 7.0348 7.0479 7.0479 7.4755 7.4755 7.4847 7.4847 7.7049 7.7049 7.7071 7.7071 8.6844 8.6844 8.6879 8.6879 8.7137 8.7137 8.7161 8.7161 12.6842 12.6842 12.6922 12.6922 13.4203 13.4203 13.4324 13.4324 13.6394 13.6394 k = 0.4836 0.4836-0.0000 ( 5182 PWs) bands (ev): -0.7618 -0.7618 -0.7584 -0.7584 3.4843 3.4843 3.5453 3.5453 4.3091 4.3091 4.3168 4.3168 4.9625 4.9625 5.0199 5.0199 5.9916 5.9916 6.0019 6.0019 6.4552 6.4552 6.4636 6.4636 6.5721 6.5721 6.5768 6.5768 7.0201 7.0201 7.0492 7.0492 7.4753 7.4753 7.4975 7.4975 7.7044 7.7044 7.7093 7.7093 8.6819 8.6819 8.6907 8.6907 8.7130 8.7130 8.7203 8.7203 12.6704 12.6704 12.6910 12.6910 13.3950 13.3950 13.4295 13.4295 13.5829 13.5829 k = 0.4754 0.4754-0.0000 ( 5195 PWs) bands (ev): -0.7671 -0.7671 -0.7595 -0.7595 3.4205 3.4205 3.5519 3.5519 4.3065 4.3065 4.3228 4.3228 4.9632 4.9632 5.0861 5.0861 5.9904 5.9904 6.0061 6.0061 6.4562 6.4562 6.4686 6.4686 6.5748 6.5748 6.5820 6.5820 6.9996 6.9996 7.0487 7.0487 7.4760 7.4760 7.5160 7.5160 7.7039 7.7039 7.7126 7.7126 8.6783 8.6783 8.6944 8.6944 8.7121 8.7121 8.7275 8.7275 12.6481 12.6481 12.6876 12.6876 13.3619 13.3619 13.4241 13.4241 13.5164 13.5164 k = 0.4672 0.4672-0.0000 ( 5195 PWs) bands (ev): -0.7744 -0.7744 -0.7610 -0.7610 3.3395 3.3395 3.5611 3.5611 4.3034 4.3034 4.3313 4.3313 4.9643 4.9643 5.1696 5.1696 5.9894 5.9894 6.0109 6.0109 6.4585 6.4585 6.4747 6.4747 6.5792 6.5792 6.5893 6.5893 6.9747 6.9747 7.0470 7.0470 7.4774 7.4774 7.5386 7.5386 7.7035 7.7035 7.7171 7.7171 8.6737 8.6737 8.6988 8.6988 8.7113 8.7113 8.7380 8.7380 12.6171 12.6171 12.6817 12.6817 13.3275 13.3275 13.4136 13.4136 13.4491 13.4491 k = 0.4590 0.4590-0.0000 ( 5195 PWs) bands (ev): -0.7839 -0.7839 -0.7630 -0.7630 3.2461 3.2461 3.5730 3.5730 4.2998 4.2998 4.3421 4.3421 4.9659 4.9659 5.2648 5.2648 5.9886 5.9886 6.0160 6.0160 6.4623 6.4623 6.4816 6.4816 6.5855 6.5855 6.5993 6.5993 6.9469 6.9469 7.0441 7.0441 7.4794 7.4794 7.5637 7.5637 7.7032 7.7032 7.7227 7.7227 8.6685 8.6685 8.7035 8.7035 8.7108 8.7108 8.7515 8.7515 12.5776 12.5776 12.6723 12.6723 13.2964 13.2964 13.3654 13.3654 13.4127 13.4127 k = 0.4508 0.4508-0.0000 ( 5203 PWs) bands (ev): -0.7956 -0.7956 -0.7655 -0.7655 3.1439 3.1439 3.5875 3.5875 4.2961 4.2961 4.3553 4.3553 4.9683 4.9683 5.3668 5.3668 5.9879 5.9879 6.0210 6.0210 6.4675 6.4675 6.4891 6.4891 6.5935 6.5935 6.6133 6.6133 6.9175 6.9175 7.0402 7.0402 7.4817 7.4817 7.5897 7.5897 7.7030 7.7030 7.7296 7.7296 8.6633 8.6633 8.7075 8.7075 8.7121 8.7121 8.7678 8.7678 12.5309 12.5309 12.6585 12.6585 13.2709 13.2709 13.2932 13.2932 13.3666 13.3666 k = 0.4426 0.4426-0.0000 ( 5195 PWs) bands (ev): -0.8093 -0.8093 -0.7686 -0.7686 3.0359 3.0359 3.6047 3.6047 4.2926 4.2926 4.3709 4.3709 4.9715 4.9715 5.4712 5.4712 5.9871 5.9871 6.0255 6.0255 6.4743 6.4743 6.4970 6.4970 6.6032 6.6032 6.6329 6.6329 6.8880 6.8880 7.0352 7.0352 7.4844 7.4844 7.6151 7.6151 7.7030 7.7030 7.7376 7.7376 8.6591 8.6591 8.7087 8.7087 8.7174 8.7174 8.7863 8.7863 12.4785 12.4785 12.6392 12.6392 13.2189 13.2189 13.2518 13.2518 13.2901 13.2901 k = 0.4344 0.4344-0.0000 ( 5191 PWs) bands (ev): -0.8253 -0.8253 -0.7723 -0.7723 2.9242 2.9242 3.6245 3.6245 4.2895 4.2895 4.3888 4.3888 4.9758 4.9758 5.5738 5.5738 5.9862 5.9862 6.0289 6.0289 6.4829 6.4829 6.5052 6.5052 6.6143 6.6143 6.6600 6.6600 6.8598 6.8598 7.0289 7.0289 7.4876 7.4876 7.6386 7.6386 7.7034 7.7034 7.7467 7.7467 8.6566 8.6566 8.7092 8.7092 8.7245 8.7245 8.8063 8.8063 12.4228 12.4228 12.6134 12.6134 13.1445 13.1445 13.2106 13.2106 13.2397 13.2397 k = 0.4262 0.4262-0.0000 ( 5195 PWs) bands (ev): -0.8434 -0.8434 -0.7766 -0.7766 2.8101 2.8101 3.6469 3.6469 4.2870 4.2870 4.4091 4.4091 4.9813 4.9813 5.6707 5.6707 5.9848 5.9848 6.0307 6.0307 6.4932 6.4932 6.5137 6.5137 6.6265 6.6265 6.6959 6.6959 6.8349 6.8349 7.0214 7.0214 7.4911 7.4911 7.6585 7.6585 7.7052 7.7052 7.7566 7.7566 8.6567 8.6567 8.7103 8.7103 8.7329 8.7329 8.8272 8.8272 12.3659 12.3659 12.5801 12.5801 13.0707 13.0707 13.1340 13.1340 13.2326 13.2326 k = 0.4180 0.4180-0.0000 ( 5197 PWs) bands (ev): -0.8637 -0.8637 -0.7816 -0.7816 2.6949 2.6949 3.6718 3.6718 4.2856 4.2856 4.4318 4.4318 4.9884 4.9884 5.7578 5.7578 5.9827 5.9827 6.0305 6.0305 6.5052 6.5052 6.5228 6.5228 6.6398 6.6398 6.7386 6.7386 6.8188 6.8188 7.0127 7.0127 7.4950 7.4950 7.6729 7.6729 7.7095 7.7095 7.7671 7.7671 8.6597 8.6597 8.7127 8.7127 8.7424 8.7424 8.8483 8.8483 12.3099 12.3099 12.5390 12.5390 12.9980 12.9980 13.0610 13.0610 13.2307 13.2307 k = 0.4098 0.4098-0.0000 ( 5205 PWs) bands (ev): -0.8861 -0.8861 -0.7874 -0.7874 2.5793 2.5793 3.6994 3.6994 4.2854 4.2854 4.4567 4.4567 4.9972 4.9972 5.8318 5.8318 5.9795 5.9795 6.0282 6.0282 6.5181 6.5181 6.5333 6.5333 6.6542 6.6542 6.7629 6.7629 6.8394 6.8394 7.0030 7.0030 7.4993 7.4993 7.6807 7.6807 7.7171 7.7171 7.7779 7.7779 8.6654 8.6654 8.7175 8.7175 8.7532 8.7532 8.8688 8.8688 12.2564 12.2564 12.4900 12.4900 12.9268 12.9268 12.9929 12.9929 13.2332 13.2332 k = 0.4016 0.4016-0.0000 ( 5209 PWs) bands (ev): -0.9107 -0.9107 -0.7940 -0.7940 2.4639 2.4639 3.7296 3.7296 4.2867 4.2867 4.4840 4.4840 5.0079 5.0079 5.8899 5.8899 5.9748 5.9748 6.0244 6.0244 6.5305 6.5305 6.5463 6.5463 6.6696 6.6696 6.7577 6.7577 6.9083 6.9083 6.9939 6.9939 7.5039 7.5039 7.6836 7.6836 7.7258 7.7258 7.7888 7.7888 8.6721 8.6721 8.7270 8.7270 8.7656 8.7656 8.8881 8.8881 12.2068 12.2068 12.4332 12.4332 12.8569 12.8569 12.9312 12.9312 13.2393 13.2393 k = 0.3934 0.3934-0.0000 ( 5209 PWs) bands (ev): -0.9375 -0.9375 -0.8015 -0.8015 2.3491 2.3491 3.7623 3.7623 4.2897 4.2897 4.5135 4.5135 5.0208 5.0208 5.9285 5.9285 5.9702 5.9702 6.0200 6.0200 6.5415 6.5415 6.5625 6.5625 6.6855 6.6855 6.7505 6.7505 6.9660 6.9660 7.0185 7.0185 7.5089 7.5089 7.6843 7.6843 7.7330 7.7330 7.7998 7.7998 8.6777 8.6777 8.7434 8.7434 8.7799 8.7799 8.9056 8.9056 12.1619 12.1619 12.3693 12.3693 12.7879 12.7879 12.8773 12.8773 13.2486 13.2486 k = 0.3852 0.3852-0.0000 ( 5201 PWs) bands (ev): -0.9663 -0.9663 -0.8099 -0.8099 2.2354 2.2354 3.7976 3.7976 4.2947 4.2947 4.5453 4.5453 5.0360 5.0360 5.9355 5.9355 5.9775 5.9775 6.0164 6.0164 6.5515 6.5515 6.5807 6.5807 6.7016 6.7016 6.7485 6.7485 6.9593 6.9593 7.1220 7.1220 7.5143 7.5143 7.6838 7.6838 7.7372 7.7372 7.8113 7.8113 8.6811 8.6811 8.7669 8.7669 8.7974 8.7974 8.9209 8.9209 12.1218 12.1218 12.2990 12.2990 12.7192 12.7192 12.8330 12.8330 13.2607 13.2607 k = 0.3770 0.3770-0.0000 ( 5209 PWs) bands (ev): -0.9973 -0.9973 -0.8193 -0.8193 2.1231 2.1231 3.8355 3.8355 4.3017 4.3017 4.5793 4.5793 5.0537 5.0537 5.9191 5.9191 5.9900 5.9900 6.0141 6.0141 6.5610 6.5610 6.5997 6.5997 6.7169 6.7169 6.7537 6.7537 6.9459 6.9459 7.2435 7.2435 7.5200 7.5200 7.6828 7.6828 7.7381 7.7381 7.8234 7.8234 8.6827 8.6827 8.7929 8.7929 8.8222 8.8222 8.9338 8.9338 12.0862 12.0862 12.2233 12.2233 12.6506 12.6506 12.7997 12.7997 13.2753 13.2753 k = 0.3689 0.3689-0.0000 ( 5209 PWs) bands (ev): -1.0302 -1.0302 -0.8298 -0.8298 2.0122 2.0122 3.8758 3.8758 4.3110 4.3110 4.6156 4.6156 5.0741 5.0741 5.8943 5.8943 5.9957 5.9957 6.0124 6.0124 6.5701 6.5701 6.6187 6.6187 6.7316 6.7316 6.7665 6.7665 6.9315 6.9315 7.3744 7.3744 7.5262 7.5262 7.6815 7.6815 7.7358 7.7358 7.8363 7.8363 8.6833 8.6833 8.8159 8.8159 8.8591 8.8591 8.9446 8.9446 12.0537 12.0537 12.1437 12.1437 12.5823 12.5823 12.7787 12.7787 13.2921 13.2921 k = 0.3607 0.3607-0.0000 ( 5199 PWs) bands (ev): -1.0651 -1.0651 -0.8413 -0.8413 1.9032 1.9032 3.9187 3.9187 4.3225 4.3225 4.6540 4.6540 5.0973 5.0973 5.8642 5.8642 5.9949 5.9949 6.0103 6.0103 6.5787 6.5787 6.6373 6.6373 6.7472 6.7472 6.7849 6.7849 6.9174 6.9174 7.5088 7.5088 7.5349 7.5349 7.6800 7.6800 7.7313 7.7313 7.8499 7.8499 8.6831 8.6831 8.8372 8.8372 8.9061 8.9061 8.9537 8.9537 12.0193 12.0193 12.0652 12.0652 12.5140 12.5140 12.7712 12.7712 13.3109 13.3109 k = 0.3525 0.3525-0.0000 ( 5205 PWs) bands (ev): -1.1019 -1.1019 -0.8540 -0.8540 1.7960 1.7960 3.9641 3.9641 4.3363 4.3363 4.6946 4.6946 5.1236 5.1236 5.8303 5.8303 5.9878 5.9878 6.0082 6.0082 6.5867 6.5867 6.6553 6.6553 6.7640 6.7640 6.8068 6.8068 6.9050 6.9050 7.5382 7.5382 7.6483 7.6483 7.6806 7.6806 7.7264 7.7264 7.8639 7.8639 8.6825 8.6825 8.8589 8.8589 8.9593 8.9593 8.9632 8.9632 11.9569 11.9569 12.0134 12.0134 12.4459 12.4459 12.7782 12.7782 13.3315 13.3315 k = 0.3443 0.3443-0.0000 ( 5205 PWs) bands (ev): -1.1405 -1.1405 -0.8679 -0.8679 1.6909 1.6909 4.0119 4.0119 4.3523 4.3523 4.7372 4.7372 5.1529 5.1529 5.7936 5.7936 5.9743 5.9743 6.0070 6.0070 6.5940 6.5940 6.6723 6.6723 6.7804 6.7804 6.8315 6.8315 6.8965 6.8965 7.5454 7.5454 7.6739 7.6739 7.7147 7.7147 7.7973 7.7973 7.8785 7.8785 8.6816 8.6816 8.8819 8.8819 8.9721 8.9721 9.0203 9.0203 11.8702 11.8702 11.9847 11.9847 12.3779 12.3779 12.8000 12.8000 13.3537 13.3537 k = 0.3361 0.3361-0.0000 ( 5197 PWs) bands (ev): -1.1807 -1.1807 -0.8829 -0.8829 1.5879 1.5879 4.0622 4.0622 4.3704 4.3704 4.7820 4.7820 5.1853 5.1853 5.7548 5.7548 5.9556 5.9556 6.0065 6.0065 6.6006 6.6006 6.6879 6.6879 6.7929 6.7929 6.8586 6.8586 6.8955 6.8955 7.5526 7.5526 7.6711 7.6711 7.7092 7.7092 7.8930 7.8930 7.9331 7.9331 8.6806 8.6806 8.9066 8.9066 8.9861 8.9861 9.0852 9.0852 11.7783 11.7783 11.9598 11.9598 12.3098 12.3098 12.8365 12.8365 13.3774 13.3774 k = 0.3279 0.3279-0.0000 ( 5197 PWs) bands (ev): -1.2226 -1.2226 -0.8991 -0.8991 1.4872 1.4872 4.1149 4.1149 4.3905 4.3905 4.8288 4.8288 5.2211 5.2211 5.7147 5.7147 5.9328 5.9328 6.0063 6.0063 6.6066 6.6066 6.7008 6.7008 6.7998 6.7998 6.8880 6.8880 6.9049 6.9049 7.5598 7.5598 7.6673 7.6673 7.7039 7.7039 7.9080 7.9080 8.0625 8.0625 8.6795 8.6795 8.9331 8.9331 9.0079 9.0079 9.1545 9.1545 11.6842 11.6842 11.9362 11.9362 12.2416 12.2416 12.8870 12.8870 13.4021 13.4021 k = 0.3197 0.3197-0.0000 ( 5197 PWs) bands (ev): -1.2658 -1.2658 -0.9165 -0.9165 1.3887 1.3887 4.1699 4.1699 4.4124 4.4124 4.8776 4.8776 5.2600 5.2600 5.6738 5.6738 5.9065 5.9065 6.0062 6.0062 6.6118 6.6118 6.7084 6.7084 6.8044 6.8044 6.9182 6.9182 6.9245 6.9245 7.5671 7.5671 7.6627 7.6627 7.7002 7.7002 7.9231 7.9231 8.1795 8.1795 8.6784 8.6784 8.9616 8.9616 9.0427 9.0427 9.2277 9.2277 11.5892 11.5892 11.9136 11.9136 12.1732 12.1732 12.9501 12.9501 13.4272 13.4272 k = 0.3115 0.3115-0.0000 ( 5197 PWs) bands (ev): -1.3105 -1.3105 -0.9352 -0.9352 1.2926 1.2926 4.2274 4.2274 4.4359 4.4359 4.9284 4.9284 5.3022 5.3022 5.6328 5.6328 5.8774 5.8774 6.0063 6.0063 6.6161 6.6161 6.7084 6.7084 6.8123 6.8123 6.9446 6.9446 6.9552 6.9552 7.5743 7.5743 7.6579 7.6579 7.6985 7.6985 7.9382 7.9382 8.2784 8.2784 8.6776 8.6776 8.9918 8.9918 9.0963 9.0963 9.3043 9.3043 11.4937 11.4937 11.8920 11.8920 12.1043 12.1043 13.0241 13.0241 13.4503 13.4503 k = 0.3033 0.3033-0.0000 ( 5189 PWs) bands (ev): -1.3563 -1.3563 -0.9550 -0.9550 1.1989 1.1989 4.2872 4.2872 4.4604 4.4604 4.9811 4.9811 5.3472 5.3472 5.5924 5.5924 5.8461 5.8461 6.0063 6.0063 6.6195 6.6195 6.7015 6.7015 6.8256 6.8256 6.9715 6.9715 6.9898 6.9898 7.5812 7.5812 7.6535 7.6535 7.6985 7.6985 7.9533 7.9533 8.3552 8.3552 8.6771 8.6771 9.0239 9.0239 9.1728 9.1728 9.3840 9.3840 11.3985 11.3985 11.8718 11.8718 12.0350 12.0350 13.1068 13.1068 13.4643 13.4643 k = 0.2951 0.2951-0.0000 ( 5187 PWs) bands (ev): -1.4031 -1.4031 -0.9759 -0.9759 1.1077 1.1077 4.3492 4.3492 4.4857 4.4857 5.0357 5.0357 5.3942 5.3942 5.5539 5.5539 5.8134 5.8134 6.0065 6.0065 6.6217 6.6217 6.6899 6.6899 6.8429 6.8429 7.0001 7.0001 7.0256 7.0256 7.5876 7.5876 7.6503 7.6503 7.7002 7.7002 7.9684 7.9684 8.4096 8.4096 8.6769 8.6769 9.0579 9.0579 9.2725 9.2725 9.4662 9.4662 11.3040 11.3040 11.8534 11.8534 11.9651 11.9651 13.1957 13.1957 13.4638 13.4638 k = 0.2869 0.2869-0.0000 ( 5183 PWs) bands (ev): -1.4508 -1.4508 -0.9979 -0.9979 1.0190 1.0190 4.4136 4.4136 4.5112 4.5112 5.0921 5.0921 5.4376 5.4376 5.5231 5.5231 5.7798 5.7798 6.0066 6.0066 6.6221 6.6221 6.6765 6.6765 6.8627 6.8627 7.0299 7.0299 7.0618 7.0618 7.5934 7.5934 7.6488 7.6488 7.7035 7.7035 7.9834 7.9834 8.4454 8.4454 8.6768 8.6768 9.0939 9.0939 9.3919 9.3919 9.5507 9.5507 11.2107 11.2107 11.8363 11.8363 11.8953 11.8953 13.2868 13.2868 13.4561 13.4561 k = 0.2787 0.2787-0.0000 ( 5197 PWs) bands (ev): -1.4993 -1.4993 -1.0210 -1.0210 0.9328 0.9328 4.4801 4.4801 4.5364 4.5364 5.1502 5.1502 5.4471 5.4471 5.5305 5.5305 5.7462 5.7462 6.0068 6.0068 6.6198 6.6198 6.6636 6.6636 6.8835 6.8835 7.0605 7.0605 7.0980 7.0980 7.5984 7.5984 7.6494 7.6494 7.7083 7.7083 7.9983 7.9983 8.4681 8.4681 8.6768 8.6768 9.1319 9.1319 9.5255 9.5255 9.6369 9.6369 11.1193 11.1193 11.8085 11.8085 11.8380 11.8380 13.3694 13.3694 13.4522 13.4522 k = 0.2705 0.2705-0.0000 ( 5193 PWs) bands (ev): -1.5484 -1.5484 -1.0451 -1.0451 0.8491 0.8491 4.5487 4.5487 4.5606 4.5606 5.2098 5.2098 5.4195 5.4195 5.5795 5.5795 5.7135 5.7135 6.0070 6.0070 6.6132 6.6132 6.6536 6.6536 6.9048 6.9048 7.0919 7.0919 7.1340 7.1340 7.6026 7.6026 7.6524 7.6524 7.7147 7.7147 8.0133 8.0133 8.4831 8.4831 8.6768 8.6768 9.1719 9.1719 9.6682 9.6682 9.7242 9.7242 11.0305 11.0305 11.7422 11.7422 11.8214 11.8214 13.3994 13.3994 13.4760 13.4760 k = 0.2623 0.2623-0.0000 ( 5199 PWs) bands (ev): -1.5979 -1.5979 -1.0701 -1.0701 0.7679 0.7679 4.5826 4.5826 4.6199 4.6199 5.2703 5.2703 5.3863 5.3863 5.6370 5.6370 5.6847 5.6847 6.0072 6.0072 6.6018 6.6018 6.6476 6.6476 6.9258 6.9258 7.1237 7.1237 7.1693 7.1693 7.6059 7.6059 7.6579 7.6579 7.7225 7.7225 8.0281 8.0281 8.4943 8.4943 8.6768 8.6768 9.2137 9.2137 9.8112 9.8112 9.8164 9.8164 10.9452 10.9452 11.6677 11.6677 11.8156 11.8156 13.3875 13.3875 13.4514 13.4514 k = 0.2541 0.2541-0.0000 ( 5203 PWs) bands (ev): -1.6476 -1.6476 -1.0960 -1.0960 0.6894 0.6894 4.6021 4.6021 4.6928 4.6928 5.3235 5.3235 5.3619 5.3619 5.6481 5.6481 5.7097 5.7097 6.0074 6.0074 6.5871 6.5871 6.6443 6.6443 6.9461 6.9461 7.1559 7.1559 7.2039 7.2039 7.6086 7.6086 7.6660 7.6660 7.7317 7.7317 8.0431 8.0431 8.5047 8.5047 8.6769 8.6769 9.2573 9.2573 9.8981 9.8981 9.9653 9.9653 10.8649 10.8649 11.5905 11.5905 11.8154 11.8154 13.3680 13.3680 13.4165 13.4165 k = 0.2459 0.2459-0.0000 ( 5197 PWs) bands (ev): -1.6975 -1.6975 -1.1226 -1.1226 0.6134 0.6134 4.6181 4.6181 4.7678 4.7678 5.3111 5.3111 5.4055 5.4055 5.6243 5.6243 5.7764 5.7764 6.0077 6.0077 6.5708 6.5708 6.6423 6.6423 6.9654 6.9654 7.1882 7.1882 7.2375 7.2375 7.6109 7.6109 7.6764 7.6764 7.7419 7.7419 8.0580 8.0580 8.5163 8.5163 8.6771 8.6771 9.3027 9.3027 9.9812 9.9812 10.1135 10.1135 10.7918 10.7918 11.5111 11.5111 11.8210 11.8210 13.3459 13.3459 13.3791 13.3791 k = 0.2377 0.2377-0.0000 ( 5189 PWs) bands (ev): -1.7472 -1.7472 -1.1498 -1.1498 0.5400 0.5400 4.6295 4.6295 4.8447 4.8447 5.2804 5.2804 5.4702 5.4702 5.6033 5.6033 5.8476 5.8476 6.0082 6.0082 6.5540 6.5540 6.6409 6.6409 6.9833 6.9833 7.2203 7.2203 7.2700 7.2700 7.6130 7.6130 7.6891 7.6891 7.7531 7.7531 8.0731 8.0731 8.5305 8.5305 8.6778 8.6778 9.3495 9.3495 10.0571 10.0571 10.2582 10.2582 10.7299 10.7299 11.4294 11.4294 11.8329 11.8329 13.3212 13.3212 13.3416 13.3416 k = 0.2295 0.2295-0.0000 ( 5193 PWs) bands (ev): -1.7968 -1.7968 -1.1776 -1.1776 0.4691 0.4691 4.6357 4.6357 4.9236 4.9236 5.2500 5.2500 5.5376 5.5376 5.5875 5.5875 5.9208 5.9208 6.0095 6.0095 6.5370 6.5370 6.6402 6.6402 6.9996 6.9996 7.2519 7.2519 7.3013 7.3013 7.6152 7.6152 7.7036 7.7036 7.7651 7.7651 8.0882 8.0882 8.5480 8.5480 8.6792 8.6792 9.3978 9.3978 10.1190 10.1190 10.3971 10.3971 10.6862 10.6862 11.3455 11.3455 11.8522 11.8522 13.2878 13.2878 13.3110 13.3110 k = 0.2213 0.2213-0.0000 ( 5195 PWs) bands (ev): -1.8460 -1.8460 -1.2058 -1.2058 0.4008 0.4008 4.6360 4.6360 5.0042 5.0042 5.2210 5.2210 5.5765 5.5765 5.6074 5.6074 5.9883 5.9883 6.0188 6.0188 6.5201 6.5201 6.6401 6.6401 7.0140 7.0140 7.2828 7.2828 7.3314 7.3314 7.6179 7.6179 7.7198 7.7198 7.7778 7.7778 8.1035 8.1035 8.5690 8.5690 8.6822 8.6822 9.4473 9.4473 10.1568 10.1568 10.5275 10.5275 10.6712 10.6712 11.2591 11.2591 11.8795 11.8795 13.2456 13.2456 13.2886 13.2886 k = 0.2131 0.2131-0.0000 ( 5195 PWs) bands (ev): -1.8948 -1.8948 -1.2344 -1.2344 0.3351 0.3351 4.6302 4.6302 5.0866 5.0866 5.1934 5.1934 5.5725 5.5725 5.6778 5.6778 6.0041 6.0041 6.0815 6.0815 6.5035 6.5035 6.6412 6.6412 7.0264 7.0264 7.3124 7.3124 7.3604 7.3604 7.6213 7.6213 7.7373 7.7373 7.7909 7.7909 8.1189 8.1189 8.5923 8.5923 8.6886 8.6886 9.4979 9.4979 10.1629 10.1629 10.6440 10.6440 10.6960 10.6960 11.1703 11.1703 11.9156 11.9156 13.2000 13.2000 13.2697 13.2697 k = 0.2049 0.2049-0.0000 ( 5191 PWs) bands (ev): -1.9428 -1.9428 -1.2631 -1.2631 0.2720 0.2720 4.6183 4.6183 5.1661 5.1661 5.1720 5.1720 5.5744 5.5744 5.7497 5.7497 6.0059 6.0059 6.1591 6.1591 6.4872 6.4872 6.6440 6.6440 7.0369 7.0369 7.3405 7.3405 7.3881 7.3881 7.6260 7.6260 7.7558 7.7558 7.8045 7.8045 8.1347 8.1347 8.6144 8.6144 8.7023 8.7023 9.5493 9.5493 10.1400 10.1400 10.7286 10.7286 10.7740 10.7740 11.0793 11.0793 11.9608 11.9608 13.1526 13.1526 13.2538 13.2538 k = 0.1967 0.1967-0.0000 ( 5187 PWs) bands (ev): -1.9901 -1.9901 -1.2919 -1.2919 0.2114 0.2114 4.6008 4.6008 5.1432 5.1432 5.2563 5.2563 5.5818 5.5818 5.8226 5.8226 6.0068 6.0068 6.2370 6.2370 6.4712 6.4712 6.6499 6.6499 7.0454 7.0454 7.3664 7.3664 7.4144 7.4144 7.6326 7.6326 7.7749 7.7749 7.8183 7.8183 8.1507 8.1507 8.6301 8.6301 8.7286 8.7286 9.6013 9.6013 10.0982 10.0982 10.8055 10.8055 10.8689 10.8689 10.9870 10.9870 12.0150 12.0150 13.1039 13.1039 13.2413 13.2413 k = 0.1885 0.1885-0.0000 ( 5189 PWs) bands (ev): -2.0364 -2.0364 -1.3207 -1.3207 0.1534 0.1534 4.5784 4.5784 5.1206 5.1206 5.3432 5.3432 5.5942 5.5942 5.8959 5.8959 6.0081 6.0081 6.3123 6.3123 6.4558 6.4558 6.6606 6.6606 7.0520 7.0520 7.3898 7.3898 7.4389 7.4389 7.6417 7.6417 7.7943 7.7943 7.8324 7.8324 8.1669 8.1669 8.6383 8.6383 8.7686 8.7686 9.6536 9.6536 10.0464 10.0464 10.8668 10.8668 10.9149 10.9149 10.9580 10.9580 12.0770 12.0770 13.0545 13.0545 13.2324 13.2324 k = 0.1803 0.1803-0.0000 ( 5195 PWs) bands (ev): -2.0817 -2.0817 -1.3493 -1.3493 0.0979 0.0979 4.5518 4.5518 5.0997 5.0997 5.4314 5.4314 5.6108 5.6108 5.9660 5.9660 6.0136 6.0136 6.3804 6.3804 6.4416 6.4416 6.6797 6.6797 7.0569 7.0569 7.4105 7.4105 7.4612 7.4612 7.6542 7.6542 7.8136 7.8136 7.8466 7.8466 8.1835 8.1835 8.6417 8.6417 8.8195 8.8195 9.7061 9.7061 9.9899 9.9899 10.7842 10.7842 10.9927 10.9927 11.0348 11.0348 12.1450 12.1450 13.0048 13.0048 13.2277 13.2277 k = 0.1721 0.1721-0.0000 ( 5191 PWs) bands (ev): -2.1258 -2.1258 -1.3776 -1.3776 0.0449 0.0449 4.5219 4.5219 5.0803 5.0803 5.5206 5.5206 5.6307 5.6307 5.9986 5.9986 6.0576 6.0576 6.4198 6.4198 6.4451 6.4451 6.7117 6.7117 7.0605 7.0605 7.4282 7.4282 7.4810 7.4810 7.6706 7.6706 7.8325 7.8325 7.8610 7.8610 8.2005 8.2005 8.6425 8.6425 8.8789 8.8789 9.7583 9.7583 9.9317 9.9317 10.6841 10.6841 11.0811 11.0811 11.1105 11.1105 12.2166 12.2166 12.9551 12.9551 13.2276 13.2276 k = 0.1639 0.1639-0.0000 ( 5187 PWs) bands (ev): -2.1686 -2.1686 -1.4056 -1.4056 -0.0055 -0.0055 4.4896 4.4896 5.0626 5.0626 5.6107 5.6107 5.6532 5.6532 6.0022 6.0022 6.1314 6.1314 6.4096 6.4096 6.4834 6.4834 6.7599 6.7599 7.0632 7.0632 7.4429 7.4429 7.4983 7.4983 7.6911 7.6911 7.8508 7.8508 7.8757 7.8757 8.2178 8.2178 8.6418 8.6418 8.9453 8.9453 9.8100 9.8100 9.8735 9.8735 10.5808 10.5808 11.1486 11.1486 11.2021 11.2021 12.2890 12.2890 12.9060 12.9060 13.2323 13.2323 k = 0.1557 0.1557-0.0000 ( 5187 PWs) bands (ev): -2.2100 -2.2100 -1.4329 -1.4329 -0.0534 -0.0534 4.4557 4.4557 5.0463 5.0463 5.6772 5.6772 5.7016 5.7016 6.0032 6.0032 6.2084 6.2084 6.3969 6.3969 6.5105 6.5105 6.8223 6.8223 7.0658 7.0658 7.4543 7.4543 7.5138 7.5138 7.7154 7.7154 7.8681 7.8681 7.8910 7.8910 8.2354 8.2354 8.6399 8.6399 9.0178 9.0178 9.8157 9.8157 9.8612 9.8612 10.4752 10.4752 11.2024 11.2024 11.3020 11.3020 12.3593 12.3593 12.8578 12.8578 13.2342 13.2342 k = 0.1475 0.1475-0.0000 ( 5197 PWs) bands (ev): -2.2498 -2.2498 -1.4597 -1.4597 -0.0988 -0.0988 4.4209 4.4209 5.0315 5.0315 5.7026 5.7026 5.7924 5.7924 6.0036 6.0036 6.2853 6.2853 6.3858 6.3858 6.5278 6.5278 6.8919 6.8919 7.0702 7.0702 7.4626 7.4626 7.5282 7.5282 7.7428 7.7428 7.8842 7.8842 7.9070 7.9070 8.2534 8.2534 8.6370 8.6370 9.0954 9.0954 9.7594 9.7594 9.9109 9.9109 10.3677 10.3677 11.2502 11.2502 11.4030 11.4030 12.4250 12.4250 12.8111 12.8111 13.1158 13.1158 k = 0.1393 0.1393-0.0000 ( 5197 PWs) bands (ev): -2.2881 -2.2881 -1.4856 -1.4856 -0.1417 -0.1417 4.3857 4.3857 5.0181 5.0181 5.7285 5.7285 5.8830 5.8830 6.0043 6.0043 6.3480 6.3480 6.3905 6.3905 6.5392 6.5392 6.9579 6.9579 7.0821 7.0821 7.4681 7.4681 7.5429 7.5429 7.7727 7.7727 7.8992 7.8992 7.9239 7.9239 8.2717 8.2717 8.6332 8.6332 9.1774 9.1774 9.7044 9.7044 9.9591 9.9591 10.2586 10.2586 11.2944 11.2944 11.5030 11.5030 12.4842 12.4842 12.7664 12.7664 12.9870 12.9870 k = 0.1311 0.1311-0.0000 ( 5209 PWs) bands (ev): -2.3247 -2.3247 -1.5108 -1.5108 -0.1821 -0.1821 4.3506 4.3506 5.0060 5.0060 5.7544 5.7544 5.9700 5.9700 6.0080 6.0080 6.3512 6.3512 6.4561 6.4561 6.5475 6.5475 7.0023 7.0023 7.1151 7.1151 7.4712 7.4712 7.5589 7.5589 7.8042 7.8042 7.9133 7.9133 7.9417 7.9417 8.2901 8.2901 8.6285 8.6285 9.2630 9.2630 9.6510 9.6510 10.0054 10.0054 10.1481 10.1481 11.3367 11.3367 11.6010 11.6010 12.5352 12.5352 12.7240 12.7240 12.8593 12.8593 k = 0.1230 0.1230-0.0000 ( 5205 PWs) bands (ev): -2.3594 -2.3594 -1.5349 -1.5349 -0.2200 -0.2200 4.3162 4.3162 4.9952 4.9952 5.7800 5.7800 5.9999 5.9999 6.0680 6.0680 6.3415 6.3415 6.5360 6.5360 6.5545 6.5545 7.0190 7.0190 7.1719 7.1719 7.4727 7.4727 7.5782 7.5782 7.8365 7.8365 7.9269 7.9269 7.9606 7.9606 8.3088 8.3088 8.6226 8.6226 9.3510 9.3510 9.5995 9.5995 10.0354 10.0354 10.0507 10.0507 11.3782 11.3782 11.6957 11.6957 12.5771 12.5771 12.6841 12.6841 12.7340 12.7340 k = 0.1148 0.1148-0.0000 ( 5205 PWs) bands (ev): -2.3923 -2.3923 -1.5580 -1.5580 -0.2555 -0.2555 4.2827 4.2827 4.9855 4.9855 5.8050 5.8050 6.0013 6.0013 6.1551 6.1551 6.3311 6.3311 6.5598 6.5598 6.6191 6.6191 7.0229 7.0229 7.2331 7.2331 7.4727 7.4727 7.6034 7.6034 7.8689 7.8689 7.9407 7.9407 7.9809 7.9809 8.3275 8.3275 8.6155 8.6155 9.4383 9.4383 9.5519 9.5519 9.9244 9.9244 10.0914 10.0914 11.4198 11.4198 11.7862 11.7862 12.6089 12.6089 12.6100 12.6100 12.6497 12.6497 k = 0.1066 0.1066-0.0000 ( 5201 PWs) bands (ev): -2.4233 -2.4233 -1.5799 -1.5799 -0.2884 -0.2884 4.2506 4.2506 4.9769 4.9769 5.8290 5.8290 6.0016 6.0016 6.2406 6.2406 6.3216 6.3216 6.5653 6.5653 6.7029 6.7029 7.0225 7.0225 7.2861 7.2861 7.4719 7.4719 7.6374 7.6374 7.9002 7.9002 7.9557 7.9557 8.0033 8.0033 8.3461 8.3461 8.6069 8.6069 9.4816 9.4816 9.5503 9.5503 9.8122 9.8122 10.1302 10.1302 11.4623 11.4623 11.8715 11.8715 12.4918 12.4918 12.6128 12.6128 12.6356 12.6356 k = 0.0984 0.0984-0.0000 ( 5193 PWs) bands (ev): -2.4522 -2.4522 -1.6005 -1.6005 -0.3190 -0.3190 4.2200 4.2200 4.9693 4.9693 5.8519 5.8519 6.0017 6.0017 6.3037 6.3037 6.3328 6.3328 6.5707 6.5707 6.7878 6.7878 7.0208 7.0208 7.3255 7.3255 7.4704 7.4704 7.6812 7.6812 7.9279 7.9279 7.9740 7.9740 8.0287 8.0287 8.3646 8.3646 8.5967 8.5967 9.4406 9.4406 9.6336 9.6336 9.7004 9.7004 10.1660 10.1660 11.5065 11.5065 11.9503 11.9503 12.3778 12.3778 12.5849 12.5849 12.6489 12.6489 k = 0.0902 0.0902-0.0000 ( 5193 PWs) bands (ev): -2.4791 -2.4791 -1.6198 -1.6198 -0.3470 -0.3470 4.1912 4.1912 4.9626 4.9626 5.8735 5.8735 6.0017 6.0017 6.2991 6.2991 6.4089 6.4089 6.5762 6.5762 6.8727 6.8727 7.0195 7.0195 7.3509 7.3509 7.4683 7.4683 7.7325 7.7325 7.9492 7.9492 7.9990 7.9990 8.0583 8.0583 8.3826 8.3826 8.5844 8.5844 9.3923 9.3923 9.5895 9.5895 9.7236 9.7236 10.1986 10.1986 11.5530 11.5530 12.0214 12.0214 12.2697 12.2697 12.5595 12.5595 12.6559 12.6559 k = 0.0820 0.0820-0.0000 ( 5197 PWs) bands (ev): -2.5037 -2.5037 -1.6377 -1.6377 -0.3726 -0.3726 4.1643 4.1643 4.9568 4.9568 5.8935 5.8935 6.0018 6.0018 6.2907 6.2907 6.4855 6.4855 6.5817 6.5817 6.9521 6.9521 7.0247 7.0247 7.3650 7.3650 7.4657 7.4657 7.7854 7.7854 7.9646 7.9646 8.0306 8.0306 8.0938 8.0938 8.4001 8.4001 8.5699 8.5699 9.3423 9.3423 9.4810 9.4810 9.8122 9.8122 10.2281 10.2281 11.6022 11.6022 12.0807 12.0807 12.1714 12.1714 12.5378 12.5378 12.6567 12.6567 k = 0.0738 0.0738-0.0000 ( 5191 PWs) bands (ev): -2.5263 -2.5263 -1.6541 -1.6541 -0.3957 -0.3957 4.1396 4.1396 4.9518 4.9518 5.9119 5.9119 6.0021 6.0021 6.2826 6.2826 6.5577 6.5577 6.5874 6.5874 6.9910 6.9910 7.0711 7.0711 7.3717 7.3717 7.4627 7.4627 7.8338 7.8338 7.9765 7.9765 8.0663 8.0663 8.1373 8.1373 8.4168 8.4168 8.5529 8.5529 9.2896 9.2896 9.3770 9.3770 9.8976 9.8976 10.2544 10.2544 11.6549 11.6549 12.0599 12.0599 12.1511 12.1511 12.5198 12.5198 12.6525 12.6525 k = 0.0656 0.0656-0.0000 ( 5191 PWs) bands (ev): -2.5465 -2.5465 -1.6689 -1.6689 -0.4164 -0.4164 4.1172 4.1172 4.9475 4.9475 5.9285 5.9285 6.0025 6.0025 6.2751 6.2751 6.5927 6.5927 6.6251 6.6251 6.9943 6.9943 7.1528 7.1528 7.3742 7.3742 7.4602 7.4602 7.8734 7.8734 7.9865 7.9865 8.1023 8.1023 8.1910 8.1910 8.4325 8.4325 8.5331 8.5331 9.2284 9.2284 9.2842 9.2842 9.9782 9.9782 10.2777 10.2777 11.7113 11.7113 11.9755 11.9755 12.1928 12.1928 12.5050 12.5050 12.6446 12.6446 k = 0.0574 0.0574-0.0000 ( 5179 PWs) bands (ev): -2.5645 -2.5645 -1.6822 -1.6822 -0.4347 -0.4347 4.0971 4.0971 4.9439 4.9439 5.9430 5.9430 6.0031 6.0031 6.2683 6.2683 6.5982 6.5982 6.6865 6.6865 6.9923 6.9923 7.2360 7.2360 7.3761 7.3761 7.4604 7.4604 7.9038 7.9038 7.9951 7.9951 8.1353 8.1353 8.2547 8.2547 8.4469 8.4469 8.5107 8.5107 9.1489 9.1489 9.2134 9.2134 10.0522 10.0522 10.2984 10.2984 11.7714 11.7714 11.8962 11.8962 12.2286 12.2286 12.4932 12.4932 12.6340 12.6340 k = 0.0492 0.0492-0.0000 ( 5175 PWs) bands (ev): -2.5801 -2.5801 -1.6938 -1.6938 -0.4505 -0.4505 4.0796 4.0796 4.9409 4.9409 5.9554 5.9554 6.0042 6.0042 6.2623 6.2623 6.6035 6.6035 6.7416 6.7416 6.9892 6.9892 7.3034 7.3034 7.3836 7.3836 7.4709 7.4709 7.9263 7.9263 8.0027 8.0027 8.1621 8.1621 8.3254 8.3254 8.4596 8.4596 8.4870 8.4870 9.0619 9.0619 9.1553 9.1553 10.1180 10.1180 10.3171 10.3171 11.8167 11.8167 11.8444 11.8444 12.2558 12.2558 12.4836 12.4836 12.6216 12.6216 k = 0.0410 0.0410-0.0000 ( 5177 PWs) bands (ev): -2.5934 -2.5934 -1.7036 -1.7036 -0.4639 -0.4639 4.0646 4.0646 4.9384 4.9384 5.9653 5.9653 6.0057 6.0057 6.2571 6.2571 6.6082 6.6082 6.7899 6.7899 6.9860 6.9860 7.3320 7.3320 7.3991 7.3991 7.5127 7.5127 7.9429 7.9429 8.0091 8.0091 8.1782 8.1782 8.3989 8.3989 8.4621 8.4621 8.4739 8.4739 8.9796 8.9796 9.0995 9.0995 10.1737 10.1737 10.3345 10.3345 11.7603 11.7603 11.9078 11.9078 12.2747 12.2747 12.4753 12.4753 12.6079 12.6079 k = 0.0328 0.0328-0.0000 ( 5183 PWs) bands (ev): -2.6044 -2.6044 -1.7118 -1.7118 -0.4748 -0.4748 4.0523 4.0523 4.9364 4.9364 5.9728 5.9728 6.0077 6.0077 6.2526 6.2526 6.6125 6.6125 6.8310 6.8310 6.9828 6.9828 7.3360 7.3360 7.4055 7.4055 7.5889 7.5889 7.9551 7.9551 8.0144 8.0144 8.1770 8.1770 8.4402 8.4402 8.4792 8.4792 8.4836 8.4836 8.9068 8.9068 9.0429 9.0429 10.2179 10.2179 10.3514 10.3514 11.7088 11.7088 11.9799 11.9799 12.2868 12.2868 12.4670 12.4670 12.5932 12.5932 k = 0.0246 0.0246-0.0000 ( 5181 PWs) bands (ev): -2.6129 -2.6129 -1.7181 -1.7181 -0.4833 -0.4833 4.0426 4.0426 4.9349 4.9349 5.9779 5.9779 6.0101 6.0101 6.2492 6.2492 6.6159 6.6159 6.8643 6.8643 6.9798 6.9798 7.3342 7.3342 7.4052 7.4052 7.6782 7.6782 7.9638 7.9638 8.0185 8.0185 8.1523 8.1523 8.4364 8.4364 8.4897 8.4897 8.5522 8.5522 8.8469 8.8469 8.9850 8.9850 10.2496 10.2496 10.3678 10.3678 11.6679 11.6679 12.0540 12.0540 12.2934 12.2934 12.4564 12.4564 12.5774 12.5774 k = 0.0164 0.0164-0.0000 ( 5173 PWs) bands (ev): -2.6190 -2.6190 -1.7227 -1.7227 -0.4894 -0.4894 4.0357 4.0357 4.9339 4.9339 5.9810 5.9810 6.0123 6.0123 6.2467 6.2467 6.6185 6.6185 6.8892 6.8892 6.9771 6.9771 7.3315 7.3315 7.4034 7.4034 7.7702 7.7702 7.9696 7.9696 8.0208 8.0208 8.1047 8.1047 8.4401 8.4401 8.4952 8.4952 8.6212 8.6212 8.8034 8.8034 8.9258 8.9258 10.2699 10.2699 10.3823 10.3823 11.6382 11.6382 12.1262 12.1262 12.2964 12.2964 12.4402 12.4402 12.5614 12.5614 k = 0.0082 0.0082-0.0000 ( 5175 PWs) bands (ev): -2.6226 -2.6226 -1.7254 -1.7254 -0.4930 -0.4930 4.0315 4.0315 4.9333 4.9333 5.9827 5.9827 6.0139 6.0139 6.2451 6.2451 6.6202 6.6202 6.9048 6.9048 6.9750 6.9750 7.3294 7.3294 7.4018 7.4018 7.8598 7.8598 7.9729 7.9729 8.0153 8.0153 8.0469 8.0469 8.4467 8.4467 8.4986 8.4986 8.6771 8.6771 8.7846 8.7846 8.8672 8.8672 10.2808 10.2808 10.3924 10.3924 11.6203 11.6203 12.1874 12.1874 12.2972 12.2972 12.4178 12.4178 12.5488 12.5488 k = 0.0000 0.0000 0.0000 ( 5177 PWs) bands (ev): -2.6239 -2.6239 -1.7263 -1.7263 -0.4942 -0.4942 4.0301 4.0301 4.9331 4.9331 5.9832 5.9832 6.0145 6.0145 6.2446 6.2446 6.6207 6.6207 6.9102 6.9102 6.9742 6.9742 7.3286 7.3286 7.4012 7.4012 7.9249 7.9249 7.9715 7.9715 7.9763 7.9763 8.0316 8.0316 8.4499 8.4499 8.4997 8.4997 8.6986 8.6986 8.7972 8.7972 8.8256 8.8256 10.2842 10.2842 10.3960 10.3960 11.6142 11.6142 12.2149 12.2149 12.2969 12.2969 12.4041 12.4041 12.5440 12.5440 k = 0.0000 0.0000 0.0000 ( 5177 PWs) bands (ev): -2.6239 -2.6239 -1.7263 -1.7263 -0.4942 -0.4942 4.0301 4.0301 4.9331 4.9331 5.9832 5.9832 6.0145 6.0145 6.2446 6.2446 6.6207 6.6207 6.9102 6.9102 6.9742 6.9742 7.3286 7.3286 7.4012 7.4012 7.9249 7.9249 7.9715 7.9715 7.9763 7.9763 8.0316 8.0316 8.4499 8.4499 8.4997 8.4997 8.6986 8.6986 8.7972 8.7972 8.8256 8.8256 10.2842 10.2842 10.3960 10.3960 11.6142 11.6142 12.2149 12.2149 12.2969 12.2969 12.4041 12.4041 12.5440 12.5440 k = 0.0000 0.0000 0.0113 ( 5177 PWs) bands (ev): -2.6231 -2.6231 -1.7284 -1.7284 -0.4922 -0.4922 4.0236 4.0236 4.9399 4.9399 5.9831 5.9831 6.0145 6.0145 6.2446 6.2446 6.6204 6.6204 6.9112 6.9112 6.9766 6.9766 7.3287 7.3287 7.4012 7.4012 7.9196 7.9196 7.9726 7.9726 7.9772 7.9772 8.0318 8.0318 8.4499 8.4499 8.5049 8.5049 8.6966 8.6966 8.7928 8.7928 8.8235 8.8235 10.2855 10.2855 10.3977 10.3977 11.6130 11.6130 12.2148 12.2148 12.2971 12.2971 12.4040 12.4040 12.5436 12.5436 k = 0.0000 0.0000 0.0226 ( 5165 PWs) bands (ev): -2.6210 -2.6210 -1.7347 -1.7347 -0.4861 -0.4861 4.0049 4.0049 4.9597 4.9597 5.9830 5.9830 6.0144 6.0144 6.2446 6.2446 6.6196 6.6196 6.9139 6.9139 6.9840 6.9840 7.3291 7.3291 7.4013 7.4013 7.9045 7.9045 7.9757 7.9757 7.9798 7.9798 8.0325 8.0325 8.4499 8.4499 8.5198 8.5198 8.6909 8.6909 8.7795 8.7795 8.8173 8.8173 10.2895 10.2895 10.4028 10.4028 11.6093 11.6093 12.2142 12.2142 12.2976 12.2976 12.4035 12.4035 12.5423 12.5423 k = 0.0000 0.0000 0.0339 ( 5165 PWs) bands (ev): -2.6174 -2.6174 -1.7448 -1.7448 -0.4762 -0.4762 3.9758 3.9758 4.9903 4.9903 5.9828 5.9828 6.0143 6.0143 6.2446 6.2446 6.6183 6.6183 6.9185 6.9185 6.9961 6.9961 7.3297 7.3297 7.4014 7.4014 7.8812 7.8812 7.9810 7.9810 7.9840 7.9840 8.0336 8.0336 8.4499 8.4499 8.5428 8.5428 8.6816 8.6816 8.7576 8.7576 8.8071 8.8071 10.2959 10.2959 10.4109 10.4109 11.6033 11.6033 12.2133 12.2133 12.2985 12.2985 12.4027 12.4027 12.5401 12.5401 k = 0.0000 0.0000 0.0452 ( 5161 PWs) bands (ev): -2.6125 -2.6125 -1.7585 -1.7585 -0.4631 -0.4631 3.9390 3.9390 5.0292 5.0292 5.9825 5.9825 6.0141 6.0141 6.2446 6.2446 6.6165 6.6165 6.9248 6.9248 7.0131 7.0131 7.3307 7.3307 7.4015 7.4015 7.8516 7.8516 7.9883 7.9883 7.9895 7.9895 8.0354 8.0354 8.4499 8.4499 8.5719 8.5719 8.6688 8.6688 8.7274 8.7274 8.7934 8.7934 10.3046 10.3046 10.4219 10.4219 11.5952 11.5952 12.2121 12.2121 12.2996 12.2996 12.4015 12.4015 12.4731 12.4731 k = 0.0000 0.0000 0.0564 ( 5161 PWs) bands (ev): -2.6064 -2.6064 -1.7751 -1.7751 -0.4471 -0.4471 3.8971 3.8971 5.0737 5.0737 5.9822 5.9822 6.0139 6.0139 6.2446 6.2446 6.6144 6.6144 6.9328 6.9328 7.0347 7.0347 7.3321 7.3321 7.4017 7.4017 7.8178 7.8178 7.9958 7.9958 7.9975 7.9975 8.0381 8.0381 8.4499 8.4499 8.6050 8.6050 8.6529 8.6529 8.6895 8.6895 8.7763 8.7763 10.3151 10.3151 10.4353 10.4353 11.5851 11.5851 12.2107 12.2107 12.3009 12.3009 12.3905 12.3905 12.4038 12.4038 k = 0.0000 0.0000 0.0677 ( 5169 PWs) bands (ev): -2.5991 -2.5991 -1.7941 -1.7941 -0.4291 -0.4291 3.8522 3.8522 5.1213 5.1213 5.9817 5.9817 6.0136 6.0136 6.2446 6.2446 6.6121 6.6121 6.9425 6.9425 7.0607 7.0607 7.3341 7.3341 7.4018 7.4018 7.7812 7.7812 8.0024 8.0024 8.0086 8.0086 8.0423 8.0423 8.4498 8.4498 8.6342 8.6342 8.6405 8.6405 8.6443 8.6443 8.7566 8.7566 10.3270 10.3270 10.4505 10.4505 11.5734 11.5734 12.2091 12.2091 12.3024 12.3024 12.3184 12.3184 12.3997 12.3997 k = 0.0000 0.0000 0.0790 ( 5169 PWs) bands (ev): -2.5908 -2.5908 -1.8148 -1.8148 -0.4097 -0.4097 3.8063 3.8063 5.1700 5.1700 5.9813 5.9813 6.0134 6.0134 6.2446 6.2446 6.6096 6.6096 6.9536 6.9536 7.0909 7.0909 7.3370 7.3370 7.4020 7.4020 7.7432 7.7432 8.0082 8.0082 8.0215 8.0215 8.0489 8.0489 8.4498 8.4498 8.5925 8.5925 8.6132 8.6132 8.6769 8.6769 8.7346 8.7346 10.3401 10.3401 10.4671 10.4671 11.5604 11.5604 12.2074 12.2074 12.2490 12.2490 12.3039 12.3039 12.3980 12.3980 k = 0.0000 0.0000 0.0903 ( 5177 PWs) bands (ev): -2.5817 -2.5817 -1.8367 -1.8367 -0.3895 -0.3895 3.7609 3.7609 5.2180 5.2180 5.9808 5.9808 6.0130 6.0130 6.2446 6.2446 6.6070 6.6070 6.9660 6.9660 7.1244 7.1244 7.3414 7.3414 7.4022 7.4022 7.7048 7.7048 8.0126 8.0126 8.0360 8.0360 8.0582 8.0582 8.4497 8.4497 8.5352 8.5352 8.5903 8.5903 8.7077 8.7077 8.7162 8.7162 10.3536 10.3536 10.4844 10.4844 11.5466 11.5466 12.1850 12.1850 12.2057 12.2057 12.3055 12.3055 12.3962 12.3962 k = 0.0000 0.0000 0.1016 ( 5185 PWs) bands (ev): -2.5721 -2.5721 -1.8589 -1.8589 -0.3693 -0.3693 3.7174 3.7174 5.2640 5.2640 5.9802 5.9802 6.0127 6.0127 6.2446 6.2446 6.6044 6.6044 6.9795 6.9795 7.1601 7.1601 7.3481 7.3481 7.4024 7.4024 7.6669 7.6669 8.0156 8.0156 8.0519 8.0519 8.0700 8.0700 8.4488 8.4488 8.4739 8.4739 8.5660 8.5660 8.6854 8.6854 8.7486 8.7486 10.3673 10.3673 10.5018 10.5018 11.5324 11.5324 12.1271 12.1271 12.2040 12.2040 12.3070 12.3070 12.3944 12.3944 k = 0.0000 0.0000 0.1129 ( 5177 PWs) bands (ev): -2.5621 -2.5621 -1.8809 -1.8809 -0.3497 -0.3497 3.6768 3.6768 5.3069 5.3069 5.9798 5.9798 6.0125 6.0125 6.2446 6.2446 6.6019 6.6019 6.9939 6.9939 7.1958 7.1958 7.3591 7.3591 7.4026 7.4026 7.6302 7.6302 8.0176 8.0176 8.0689 8.0689 8.0836 8.0836 8.4061 8.4061 8.4506 8.4506 8.5409 8.5409 8.6603 8.6603 8.7815 8.7815 10.3807 10.3807 10.5188 10.5188 11.5182 11.5182 12.0754 12.0754 12.2024 12.2024 12.3084 12.3084 12.3926 12.3926 k = 0.0000 0.0000 0.1242 ( 5189 PWs) bands (ev): -2.5522 -2.5522 -1.9019 -1.9019 -0.3313 -0.3313 3.6399 3.6399 5.3456 5.3456 5.9793 5.9793 6.0123 6.0123 6.2446 6.2446 6.5995 6.5995 7.0087 7.0087 7.2280 7.2280 7.3771 7.3771 7.4027 7.4027 7.5954 7.5954 8.0189 8.0189 8.0868 8.0868 8.0983 8.0983 8.3383 8.3383 8.4502 8.4502 8.5156 8.5156 8.6354 8.6354 8.8116 8.8116 10.3932 10.3932 10.5348 10.5348 11.5046 11.5046 12.0303 12.0303 12.2009 12.2009 12.3096 12.3096 12.3909 12.3909 k = 0.0000 0.0000 0.1355 ( 5209 PWs) bands (ev): -2.5426 -2.5426 -1.9213 -1.9213 -0.3148 -0.3148 3.6076 3.6076 5.3794 5.3794 5.9789 5.9789 6.0121 6.0121 6.2445 6.2445 6.5974 6.5974 7.0234 7.0234 7.2529 7.2529 7.4028 7.4028 7.4049 7.4049 7.5634 7.5634 8.0198 8.0198 8.1049 8.1049 8.1132 8.1132 8.2694 8.2694 8.4499 8.4499 8.4909 8.4909 8.6116 8.6116 8.8383 8.8383 10.4046 10.4046 10.5493 10.5493 11.4921 11.4921 11.9918 11.9918 12.1996 12.1996 12.3107 12.3107 12.3893 12.3893 k = 0.0000 0.0000 0.1468 ( 5220 PWs) bands (ev): -2.5340 -2.5340 -1.9384 -1.9384 -0.3005 -0.3005 3.5802 3.5802 5.4078 5.4078 5.9784 5.9784 6.0119 6.0119 6.2445 6.2445 6.5956 6.5956 7.0374 7.0374 7.2693 7.2693 7.4030 7.4030 7.4422 7.4422 7.5351 7.5351 8.0204 8.0204 8.1226 8.1226 8.1275 8.1275 8.2018 8.2018 8.4493 8.4493 8.4678 8.4678 8.5898 8.5898 8.8609 8.8609 10.4144 10.4144 10.5618 10.5618 11.4811 11.4811 11.9601 11.9601 12.1985 12.1985 12.3116 12.3116 12.3879 12.3879 k = 0.0000 0.0000 0.1580 ( 5220 PWs) bands (ev): -2.5266 -2.5266 -1.9525 -1.9525 -0.2890 -0.2890 3.5585 3.5585 5.4303 5.4303 5.9782 5.9782 6.0118 6.0118 6.2445 6.2445 6.5940 6.5940 7.0498 7.0498 7.2791 7.2791 7.4030 7.4030 7.4843 7.4843 7.5113 7.5113 8.0208 8.0208 8.1370 8.1370 8.1403 8.1403 8.1406 8.1406 8.4434 8.4434 8.4527 8.4527 8.5711 8.5711 8.8791 8.8791 10.4224 10.4224 10.5720 10.5720 11.4720 11.4720 11.9354 11.9354 12.1976 12.1976 12.3124 12.3124 12.3867 12.3867 k = 0.0000 0.0000 0.1693 ( 5204 PWs) bands (ev): -2.5209 -2.5209 -1.9631 -1.9631 -0.2805 -0.2805 3.5427 3.5427 5.4466 5.4466 5.9780 5.9780 6.0118 6.0118 6.2445 6.2445 6.5930 6.5930 7.0597 7.0597 7.2848 7.2848 7.4032 7.4032 7.4933 7.4933 7.5246 7.5246 8.0211 8.0211 8.0843 8.0843 8.1505 8.1505 8.1527 8.1527 8.4281 8.4281 8.4511 8.4511 8.5566 8.5566 8.8924 8.8924 10.4283 10.4283 10.5796 10.5796 11.4653 11.4653 11.9177 11.9177 12.1970 12.1970 12.3129 12.3129 12.3859 12.3859 k = 0.0000 0.0000 0.1806 ( 5220 PWs) bands (ev): -2.5173 -2.5173 -1.9696 -1.9696 -0.2753 -0.2753 3.5331 3.5331 5.4565 5.4565 5.9779 5.9779 6.0117 6.0117 6.2444 6.2444 6.5923 6.5923 7.0662 7.0662 7.2876 7.2876 7.4032 7.4032 7.4819 7.4819 7.5549 7.5549 8.0211 8.0211 8.0462 8.0462 8.1571 8.1571 8.1619 8.1619 8.4170 8.4170 8.4508 8.4508 8.5474 8.5474 8.9005 8.9005 10.4319 10.4319 10.5842 10.5842 11.4612 11.4612 11.9070 11.9070 12.1966 12.1966 12.3132 12.3132 12.3853 12.3853 k = 0.0000 0.0000 0.1919 ( 5216 PWs) bands (ev): -2.5161 -2.5161 -1.9719 -1.9719 -0.2736 -0.2736 3.5299 3.5299 5.4598 5.4598 5.9778 5.9778 6.0117 6.0117 6.2444 6.2444 6.5921 6.5921 7.0684 7.0684 7.2885 7.2885 7.4032 7.4032 7.4780 7.4780 7.5664 7.5664 8.0212 8.0212 8.0321 8.0321 8.1594 8.1594 8.1652 8.1652 8.4130 8.4130 8.4509 8.4509 8.5442 8.5442 8.9032 8.9032 10.4331 10.4331 10.5857 10.5857 11.4597 11.4597 11.9034 11.9034 12.1964 12.1964 12.3133 12.3133 12.3851 12.3851 k = 0.0000 0.0000 0.1919 ( 5216 PWs) bands (ev): -2.5161 -2.5161 -1.9719 -1.9719 -0.2736 -0.2736 3.5299 3.5299 5.4598 5.4598 5.9778 5.9778 6.0117 6.0117 6.2444 6.2444 6.5921 6.5921 7.0684 7.0684 7.2885 7.2885 7.4032 7.4032 7.4780 7.4780 7.5664 7.5664 8.0212 8.0212 8.0321 8.0321 8.1594 8.1594 8.1652 8.1652 8.4130 8.4130 8.4509 8.4509 8.5442 8.5442 8.9032 8.9032 10.4331 10.4331 10.5857 10.5857 11.4597 11.4597 11.9034 11.9034 12.1964 12.1964 12.3133 12.3133 12.3851 12.3851 k = 0.0000 0.0116 0.1919 ( 5210 PWs) bands (ev): -2.5150 -2.5150 -1.9707 -1.9707 -0.2726 -0.2726 3.5314 3.5314 5.4602 5.4602 5.9769 5.9769 6.0108 6.0108 6.2450 6.2450 6.5926 6.5926 7.0635 7.0635 7.2878 7.2878 7.4002 7.4002 7.4612 7.4612 7.5727 7.5727 8.0207 8.0207 8.0295 8.0295 8.1626 8.1626 8.1748 8.1748 8.3997 8.3997 8.4531 8.4531 8.5489 8.5489 8.9068 8.9068 10.4287 10.4287 10.5804 10.5804 11.4699 11.4699 11.9071 11.9071 12.1775 12.1775 12.3181 12.3181 12.3916 12.3916 k = 0.0000 0.0233 0.1919 ( 5214 PWs) bands (ev): -2.5115 -2.5115 -1.9672 -1.9672 -0.2697 -0.2697 3.5360 3.5360 5.4614 5.4614 5.9738 5.9738 6.0084 6.0084 6.2465 6.2465 6.5943 6.5943 7.0491 7.0491 7.2860 7.2860 7.3925 7.3925 7.4133 7.4133 7.5900 7.5900 8.0191 8.0191 8.0251 8.0251 8.1662 8.1662 8.2036 8.2036 8.3726 8.3726 8.4472 8.4472 8.5638 8.5638 8.9170 8.9170 10.4158 10.4158 10.5653 10.5653 11.4988 11.4988 11.9182 11.9182 12.1330 12.1330 12.3308 12.3308 12.3927 12.3927 k = 0.0000 0.0349 0.1919 ( 5218 PWs) bands (ev): -2.5058 -2.5058 -1.9615 -1.9615 -0.2649 -0.2649 3.5438 3.5438 5.4634 5.4634 5.9672 5.9672 6.0057 6.0057 6.2491 6.2491 6.5969 6.5969 7.0260 7.0260 7.2829 7.2829 7.3399 7.3399 7.3824 7.3824 7.6153 7.6153 8.0165 8.0165 8.0230 8.0230 8.1715 8.1715 8.2407 8.2407 8.3412 8.3412 8.4277 8.4277 8.5865 8.5865 8.9324 8.9324 10.3959 10.3959 10.5419 10.5419 11.5426 11.5426 11.9377 11.9377 12.0782 12.0782 12.3438 12.3438 12.3798 12.3798 k = 0.0000 0.0465 0.1919 ( 5218 PWs) bands (ev): -2.4978 -2.4978 -1.9534 -1.9534 -0.2581 -0.2581 3.5545 3.5545 5.4662 5.4662 5.9562 5.9562 6.0041 6.0041 6.2527 6.2527 6.6001 6.6001 6.9953 6.9953 7.2478 7.2478 7.2785 7.2785 7.3709 7.3709 7.6459 7.6459 8.0131 8.0131 8.0239 8.0239 8.1788 8.1788 8.2779 8.2779 8.3091 8.3091 8.3987 8.3987 8.6129 8.6129 8.9513 8.9513 10.3705 10.3705 10.5126 10.5126 11.5958 11.5958 11.9640 11.9640 12.0235 12.0235 12.3229 12.3229 12.3929 12.3929 k = 0.0000 0.0581 0.1919 ( 5214 PWs) bands (ev): -2.4876 -2.4876 -1.9431 -1.9431 -0.2494 -0.2494 3.5683 3.5683 5.4696 5.4696 5.9404 5.9404 6.0038 6.0038 6.2573 6.2573 6.6035 6.6035 6.9582 6.9582 7.1422 7.1422 7.2726 7.2726 7.3588 7.3588 7.6799 7.6799 8.0089 8.0089 8.0274 8.0274 8.1880 8.1880 8.2720 8.2720 8.3155 8.3155 8.3647 8.3647 8.6404 8.6404 8.9723 8.9723 10.3411 10.3411 10.4796 10.4796 11.6520 11.6520 11.9470 11.9470 12.0250 12.0250 12.2785 12.2785 12.4266 12.4266 k = 0.0000 0.0698 0.1919 ( 5208 PWs) bands (ev): -2.4751 -2.4751 -1.9306 -1.9306 -0.2388 -0.2388 3.5852 3.5852 5.4735 5.4735 5.9202 5.9202 6.0047 6.0047 6.2629 6.2629 6.6060 6.6060 6.9153 6.9153 7.0277 7.0277 7.2654 7.2654 7.3463 7.3463 7.7158 7.7158 8.0036 8.0036 8.0328 8.0328 8.1991 8.1991 8.2387 8.2387 8.3198 8.3198 8.3520 8.3520 8.6676 8.6676 8.9943 8.9943 10.3085 10.3085 10.4458 10.4458 11.7054 11.7054 11.8894 11.8894 12.0836 12.0836 12.2269 12.2269 12.4680 12.4680 k = 0.0000 0.0814 0.1919 ( 5208 PWs) bands (ev): -2.4604 -2.4604 -1.9159 -1.9159 -0.2262 -0.2262 3.6049 3.6049 5.4779 5.4779 5.8958 5.8958 6.0065 6.0065 6.2695 6.2695 6.6054 6.6054 6.8666 6.8666 6.9100 6.9100 7.2569 7.2569 7.3331 7.3331 7.7523 7.7523 7.9971 7.9971 8.0394 8.0394 8.2017 8.2017 8.2156 8.2156 8.2826 8.2826 8.3743 8.3743 8.6939 8.6939 9.0166 9.0166 10.2723 10.2723 10.4142 10.4142 11.7525 11.7525 11.8302 11.8302 12.1554 12.1554 12.1785 12.1785 12.5146 12.5146 k = 0.0000 0.0930 0.1919 ( 5202 PWs) bands (ev): -2.4435 -2.4435 -1.8991 -1.8991 -0.2117 -0.2117 3.6277 3.6277 5.4824 5.4824 5.8675 5.8675 6.0090 6.0090 6.2770 6.2770 6.5934 6.5934 6.7891 6.7891 6.8226 6.8226 7.2472 7.2472 7.3192 7.3192 7.7882 7.7882 7.9894 7.9894 8.0461 8.0461 8.1703 8.1703 8.2291 8.2291 8.2443 8.2443 8.3928 8.3928 8.7189 8.7189 9.0386 9.0386 10.2318 10.2318 10.3881 10.3881 11.7704 11.7704 11.7949 11.7949 12.1118 12.1118 12.2595 12.2595 12.5652 12.5652 k = 0.0000 0.1047 0.1919 ( 5200 PWs) bands (ev): -2.4244 -2.4244 -1.8801 -1.8801 -0.1953 -0.1953 3.6532 3.6532 5.4868 5.4868 5.8354 5.8354 6.0120 6.0120 6.2854 6.2854 6.5434 6.5434 6.7087 6.7087 6.7687 6.7687 7.2363 7.2363 7.3045 7.3045 7.8216 7.8216 7.9802 7.9802 8.0515 8.0515 8.1388 8.1388 8.2092 8.2092 8.2462 8.2462 8.4061 8.4061 8.7421 8.7421 9.0599 9.0599 10.1865 10.1865 10.3696 10.3696 11.7153 11.7153 11.8294 11.8294 12.0548 12.0548 12.3655 12.3655 12.6187 12.6187 k = 0.0000 0.1163 0.1919 ( 5188 PWs) bands (ev): -2.4032 -2.4032 -1.8592 -1.8592 -0.1770 -0.1770 3.6816 3.6816 5.4908 5.4908 5.7995 5.7995 6.0155 6.0155 6.2947 6.2947 6.4378 6.4378 6.6696 6.6696 6.7230 6.7230 7.2243 7.2243 7.2887 7.2887 7.8500 7.8500 7.9691 7.9691 8.0529 8.0529 8.1109 8.1109 8.1806 8.1806 8.2654 8.2654 8.4154 8.4154 8.7635 8.7635 9.0803 9.0803 10.1368 10.1368 10.3598 10.3598 11.6620 11.6620 11.8602 11.8602 11.9995 11.9995 12.4792 12.4792 12.6744 12.6744 k = 0.0000 0.1279 0.1919 ( 5188 PWs) bands (ev): -2.3800 -2.3800 -1.8363 -1.8363 -0.1567 -0.1567 3.7127 3.7127 5.4940 5.4940 5.7596 5.7596 6.0194 6.0194 6.3027 6.3027 6.3093 6.3093 6.6259 6.6259 6.7030 6.7030 7.2114 7.2114 7.2719 7.2719 7.8701 7.8701 7.9557 7.9557 8.0442 8.0442 8.0919 8.0919 8.1624 8.1624 8.2865 8.2865 8.4221 8.4221 8.7826 8.7826 9.0995 9.0995 10.0838 10.0838 10.3584 10.3584 11.6117 11.6117 11.8821 11.8821 11.9528 11.9528 12.5966 12.5966 12.7313 12.7313 k = 0.0000 0.1395 0.1919 ( 5188 PWs) bands (ev): -2.3547 -2.3547 -1.8116 -1.8116 -0.1345 -0.1345 3.7464 3.7464 5.4958 5.4958 5.7151 5.7151 6.0235 6.0235 6.1693 6.1693 6.3158 6.3158 6.5685 6.5685 6.7022 6.7022 7.1977 7.1977 7.2541 7.2541 7.8780 7.8780 7.9403 7.9403 8.0231 8.0231 8.0823 8.0823 8.1588 8.1588 8.3094 8.3094 8.4282 8.4282 8.7995 8.7995 9.1172 9.1172 10.0288 10.0288 10.3649 10.3649 11.5649 11.5649 11.8668 11.8668 11.9445 11.9445 12.7139 12.7139 12.7885 12.7885 k = 0.0000 0.1512 0.1919 ( 5188 PWs) bands (ev): -2.3275 -2.3275 -1.7852 -1.7852 -0.1104 -0.1104 3.7825 3.7825 5.4955 5.4955 5.6650 5.6650 6.0208 6.0208 6.0377 6.0377 6.3270 6.3270 6.5076 6.5076 6.7076 6.7076 7.1834 7.1834 7.2353 7.2353 7.8721 7.8721 7.9238 7.9238 7.9973 7.9973 8.0727 8.0727 8.1711 8.1711 8.3340 8.3340 8.4357 8.4357 8.8137 8.8137 9.1334 9.1334 9.9727 9.9727 10.3788 10.3788 11.5218 11.5218 11.8220 11.8220 11.9679 11.9679 12.8267 12.8267 12.8424 12.8424 k = 0.0000 0.1628 0.1919 ( 5190 PWs) bands (ev): -2.2984 -2.2984 -1.7571 -1.7571 -0.0843 -0.0843 3.8208 3.8208 5.4923 5.4923 5.6066 5.6066 5.8939 5.8939 6.0343 6.0343 6.3375 6.3375 6.4475 6.4475 6.7153 6.7153 7.1686 7.1686 7.2156 7.2156 7.8545 7.8545 7.9065 7.9065 7.9720 7.9720 8.0584 8.0584 8.1956 8.1956 8.3602 8.3602 8.4461 8.4461 8.8254 8.8254 9.1479 9.1479 9.9164 9.9164 10.3994 10.3994 11.4827 11.4827 11.7741 11.7741 11.9968 11.9968 12.8130 12.8130 12.9106 12.9106 k = 0.0000 0.1744 0.1919 ( 5196 PWs) bands (ev): -2.2674 -2.2674 -1.7275 -1.7275 -0.0563 -0.0563 3.8611 3.8611 5.4852 5.4852 5.5348 5.5348 5.7691 5.7691 6.0393 6.0393 6.3408 6.3408 6.3970 6.3970 6.7242 6.7242 7.1532 7.1532 7.1953 7.1953 7.8297 7.8297 7.8868 7.8868 7.9491 7.9491 8.0387 8.0387 8.2273 8.2273 8.3878 8.3878 8.4604 8.4604 8.8344 8.8344 9.1606 9.1606 9.8607 9.8607 10.4261 10.4261 11.4476 11.4476 11.7270 11.7270 12.0275 12.0275 12.7027 12.7027 12.9660 12.9660 k = 0.0000 0.1860 0.1919 ( 5196 PWs) bands (ev): -2.2346 -2.2346 -1.6965 -1.6965 -0.0263 -0.0263 3.9029 3.9029 5.4425 5.4425 5.4728 5.4728 5.6626 5.6626 6.0446 6.0446 6.3110 6.3110 6.3839 6.3839 6.7338 6.7338 7.1374 7.1374 7.1746 7.1746 7.8013 7.8013 7.8642 7.8642 7.9288 7.9288 8.0140 8.0140 8.2627 8.2627 8.4168 8.4168 8.4788 8.4788 8.8406 8.8406 9.1717 9.1717 9.8060 9.8060 10.4584 10.4584 11.4166 11.4166 11.6808 11.6808 12.0592 12.0592 12.5905 12.5905 13.0213 13.0213 k = 0.0000 0.1977 0.1919 ( 5198 PWs) bands (ev): -2.2002 -2.2002 -1.6642 -1.6642 0.0056 0.0056 3.9456 3.9456 5.3288 5.3288 5.4539 5.4539 5.5766 5.5766 6.0499 6.0499 6.2640 6.2640 6.3942 6.3942 6.7436 6.7436 7.1207 7.1207 7.1542 7.1542 7.7713 7.7713 7.8395 7.8395 7.9102 7.9102 7.9853 7.9853 8.2990 8.2990 8.4468 8.4468 8.5012 8.5012 8.8441 8.8441 9.1814 9.1814 9.7531 9.7531 10.4958 10.4958 11.3897 11.3897 11.6343 11.6343 12.0918 12.0918 12.4842 12.4842 13.0397 13.0702 k = 0.0000 0.2093 0.1919 ( 5200 PWs) bands (ev): -2.1641 -2.1641 -1.6309 -1.6309 0.0396 0.0396 3.9884 3.9884 5.2020 5.2020 5.4272 5.4272 5.5044 5.5044 6.0550 6.0550 6.2206 6.2206 6.4089 6.4089 6.7535 6.7535 7.1027 7.1027 7.1350 7.1350 7.7405 7.7405 7.8137 7.8137 7.8923 7.8923 7.9535 7.9535 8.3342 8.3342 8.4777 8.4777 8.5270 8.5270 8.8449 8.8449 9.1902 9.1902 9.7025 9.7025 10.5376 10.5376 11.3666 11.3666 11.5859 11.5859 12.1251 12.1251 12.3878 12.3878 13.0334 13.0347 k = 0.0000 0.2209 0.1919 ( 5192 PWs) bands (ev): -2.1266 -2.1266 -1.5967 -1.5967 0.0757 0.0757 4.0296 4.0296 5.0713 5.0713 5.3920 5.3920 5.4386 5.4386 6.0595 6.0595 6.1854 6.1854 6.4255 6.4255 6.7634 6.7634 7.0827 7.0827 7.1179 7.1179 7.7092 7.7092 7.7876 7.7876 7.8745 7.8745 7.9200 7.9200 8.3666 8.3666 8.5091 8.5091 8.5558 8.5558 8.8432 8.8432 9.1989 9.1989 9.6548 9.6548 10.5835 10.5835 11.3471 11.3471 11.5332 11.5332 12.1591 12.1591 12.3055 12.3055 13.0221 13.0221 k = 0.0000 0.2326 0.1919 ( 5192 PWs) bands (ev): -2.0876 -2.0876 -1.5619 -1.5619 0.1138 0.1138 4.0664 4.0664 4.9438 4.9438 5.3481 5.3481 5.3754 5.3754 6.0628 6.0628 6.1599 6.1599 6.4431 6.4431 6.7729 6.7729 7.0609 7.0609 7.1030 7.1030 7.6775 7.6775 7.7616 7.7616 7.8556 7.8556 7.8862 7.8862 8.3945 8.3945 8.5407 8.5407 8.5870 8.5870 8.8391 8.8391 9.2085 9.2085 9.6106 9.6106 10.6328 10.6328 11.3308 11.3308 11.4740 11.4740 12.1925 12.1925 12.2416 12.2416 13.0046 13.0046 k = 0.0000 0.2442 0.1919 ( 5194 PWs) bands (ev): -2.0473 -2.0473 -1.5265 -1.5265 0.1540 0.1540 4.0940 4.0940 4.8264 4.8264 5.2962 5.2962 5.3130 5.3130 6.0647 6.0647 6.1446 6.1446 6.4615 6.4615 6.7819 6.7819 7.0380 7.0380 7.0903 7.0903 7.6457 7.6457 7.7357 7.7357 7.8338 7.8338 7.8546 7.8546 8.4161 8.4161 8.5718 8.5718 8.6202 8.6202 8.8327 8.8327 9.2202 9.2202 9.5705 9.5705 10.6852 10.6852 11.3165 11.3165 11.4074 11.4074 12.1904 12.1904 12.2335 12.2335 12.9812 12.9812 k = 0.0000 0.2558 0.1919 ( 5204 PWs) bands (ev): -2.0058 -2.0058 -1.4910 -1.4910 0.1963 0.1963 4.1034 4.1034 4.7291 4.7291 5.2378 5.2378 5.2506 5.2506 6.0656 6.0656 6.1382 6.1382 6.4807 6.4807 6.7898 6.7898 7.0147 7.0147 7.0793 7.0793 7.6136 7.6136 7.7101 7.7101 7.8058 7.8058 7.8293 7.8293 8.4298 8.4298 8.6019 8.6019 8.6549 8.6549 8.8242 8.8242 9.2356 9.2356 9.5355 9.5355 10.7399 10.7399 11.2993 11.2993 11.3380 11.3380 12.1658 12.1658 12.2685 12.2685 12.9526 12.9526 k = 0.0000 0.2674 0.1919 ( 5196 PWs) bands (ev): -1.9633 -1.9633 -1.4554 -1.4554 0.2409 0.2409 4.0826 4.0826 4.6645 4.6645 5.1740 5.1740 5.1881 5.1881 6.0669 6.0669 6.1384 6.1384 6.5007 6.5007 6.7963 6.7963 6.9920 6.9920 7.0701 7.0701 7.5815 7.5815 7.6846 7.6846 7.7740 7.7740 7.8083 7.8083 8.4343 8.4343 8.6302 8.6302 8.6909 8.6909 8.8140 8.8140 9.2558 9.2558 9.5064 9.5064 10.7964 10.7964 11.2412 11.2412 11.3045 11.3045 12.1587 12.1587 12.3056 12.3056 12.9199 12.9199 k = 0.0000 0.2791 0.1919 ( 5192 PWs) bands (ev): -1.9198 -1.9198 -1.4201 -1.4201 0.2878 0.2878 4.0239 4.0239 4.6406 4.6406 5.1063 5.1063 5.1257 5.1257 6.0695 6.0695 6.1427 6.1427 6.5212 6.5212 6.8007 6.8007 6.9708 6.9708 7.0624 7.0624 7.5494 7.5494 7.6590 7.6590 7.7420 7.7420 7.7884 7.7884 8.4287 8.4287 8.6557 8.6557 8.7280 8.7280 8.8023 8.8023 9.2816 9.2816 9.4841 9.4841 10.8538 10.8538 11.1575 11.1575 11.2932 11.2932 12.1679 12.1679 12.3438 12.3438 12.8840 12.8840 k = 0.0000 0.2907 0.1919 ( 5192 PWs) bands (ev): -1.8755 -1.8755 -1.3854 -1.3854 0.3371 0.3371 3.9326 3.9326 4.6523 4.6523 5.0363 5.0363 5.0637 5.0637 6.0740 6.0740 6.1496 6.1496 6.5423 6.5423 6.8017 6.8017 6.9524 6.9524 7.0563 7.0563 7.5176 7.5176 7.6330 7.6330 7.7113 7.7113 7.7686 7.7686 8.4127 8.4127 8.6777 8.6777 8.7658 8.7658 8.7894 8.7894 9.3133 9.3133 9.4697 9.4697 10.9109 10.9109 11.0708 11.0708 11.2837 11.2837 12.1913 12.1913 12.3829 12.3829 12.8465 12.8465 k = 0.0000 0.3023 0.1919 ( 5200 PWs) bands (ev): -1.8307 -1.8307 -1.3515 -1.3515 0.3888 0.3888 3.8205 3.8205 4.6878 4.6878 4.9656 4.9656 5.0020 5.0020 6.0802 6.0802 6.1581 6.1581 6.5637 6.5637 6.7981 6.7981 6.9381 6.9381 7.0519 7.0519 7.4862 7.4862 7.6066 7.6066 7.6823 7.6823 7.7487 7.7487 8.3867 8.3867 8.6951 8.6951 8.7750 8.7750 8.8049 8.8049 9.3507 9.3507 9.4641 9.4641 10.9550 10.9550 10.9963 10.9963 11.2733 11.2733 12.2267 12.2267 12.4231 12.4231 12.8088 12.8088 k = 0.0000 0.3140 0.1919 ( 5220 PWs) bands (ev): -1.7853 -1.7853 -1.3188 -1.3188 0.4430 0.4430 3.6969 3.6969 4.7373 4.7373 4.8958 4.8958 4.9410 4.9410 6.0875 6.0875 6.1676 6.1676 6.5854 6.5854 6.7893 6.7893 6.9288 6.9288 7.0492 7.0492 7.4555 7.4555 7.5794 7.5794 7.6551 7.6551 7.7286 7.7286 8.3515 8.3515 8.7074 8.7074 8.7606 8.7606 8.8440 8.8440 9.3928 9.3928 9.4680 9.4680 10.8908 10.8908 11.0305 11.0305 11.2607 11.2607 12.2720 12.2720 12.4642 12.4642 12.7724 12.7724 k = 0.0000 0.3256 0.1919 ( 5220 PWs) bands (ev): -1.7397 -1.7397 -1.2876 -1.2876 0.4999 0.4999 3.5675 3.5675 4.7886 4.7886 4.8345 4.8345 4.8808 4.8808 6.0954 6.0954 6.1780 6.1780 6.6070 6.6070 6.7756 6.7756 6.9244 6.9244 7.0481 7.0481 7.4259 7.4259 7.5518 7.5518 7.6299 7.6299 7.7084 7.7084 8.3083 8.3083 8.7142 8.7142 8.7460 8.7460 8.8837 8.8837 9.4383 9.4383 9.4817 9.4817 10.8097 10.8097 11.0825 11.0825 11.2447 11.2447 12.3256 12.3256 12.5065 12.5065 12.7393 12.7393 k = 0.0000 0.3372 0.1919 ( 5212 PWs) bands (ev): -1.6940 -1.6940 -1.2582 -1.2582 0.5594 0.5594 3.4353 3.4353 4.7530 4.7530 4.8212 4.8212 4.8689 4.8689 6.1034 6.1034 6.1890 6.1890 6.6279 6.6279 6.7590 6.7590 6.9238 6.9238 7.0487 7.0487 7.3975 7.3975 7.5236 7.5236 7.6065 7.6065 7.6883 7.6883 8.2584 8.2584 8.7151 8.7151 8.7321 8.7321 8.9238 8.9238 9.4852 9.4852 9.5057 9.5057 10.7326 10.7326 11.1312 11.1312 11.2242 11.2242 12.3859 12.3859 12.5498 12.5498 12.7110 12.7110 k = 0.0000 0.3488 0.1919 ( 5212 PWs) bands (ev): -1.6484 -1.6484 -1.2309 -1.2309 0.6218 0.6218 3.3022 3.3022 4.6903 4.6903 4.7638 4.7638 4.9367 4.9367 6.1107 6.1107 6.2006 6.2006 6.6465 6.6465 6.7423 6.7423 6.9256 6.9256 7.0509 7.0509 7.3705 7.3705 7.4952 7.4952 7.5846 7.5846 7.6681 7.6681 8.2031 8.2031 8.7089 8.7089 8.7210 8.7210 8.9642 8.9642 9.5291 9.5291 9.5422 9.5422 10.6617 10.6617 11.1732 11.1732 11.1993 11.1993 12.4513 12.4513 12.5936 12.5936 12.6898 12.6898 k = 0.0000 0.3605 0.1919 ( 5208 PWs) bands (ev): -1.6032 -1.6032 -1.2061 -1.2061 0.6871 0.6871 3.1691 3.1691 4.6298 4.6298 4.7079 4.7079 5.0089 5.0089 6.1169 6.1169 6.2126 6.2126 6.6579 6.6579 6.7313 6.7313 6.9289 6.9289 7.0543 7.0543 7.3454 7.3454 7.4666 7.4666 7.5641 7.5641 7.6483 7.6483 8.1437 8.1437 8.6969 8.6969 8.7126 8.7126 9.0049 9.0049 9.5713 9.5713 9.5868 9.5868 10.5990 10.5990 11.1640 11.1640 11.2121 11.2121 12.5202 12.5202 12.6338 12.6338 12.6814 12.6814 k = 0.0000 0.3721 0.1919 ( 5208 PWs) bands (ev): -1.5585 -1.5585 -1.1840 -1.1840 0.7554 0.7554 3.0368 3.0368 4.5730 4.5730 4.6542 4.6542 5.0834 5.0834 6.1211 6.1211 6.2252 6.2252 6.6547 6.6547 6.7342 6.7342 6.9330 6.9330 7.0586 7.0586 7.3225 7.3225 7.4383 7.4383 7.5448 7.5448 7.6288 7.6288 8.0814 8.0814 8.6836 8.6836 8.7033 8.7033 9.0457 9.0457 9.6184 9.6184 9.6299 9.6299 10.5463 10.5463 11.1254 11.1254 11.2384 11.2384 12.5906 12.5906 12.6515 12.6515 12.7063 12.7063 k = 0.0000 0.3837 0.1919 ( 5218 PWs) bands (ev): -1.5146 -1.5146 -1.1649 -1.1649 0.8267 0.8267 2.9058 2.9058 4.5206 4.5206 4.6029 4.6029 5.1596 5.1596 6.1228 6.1228 6.2384 6.2384 6.6387 6.6387 6.7495 6.7495 6.9377 6.9377 7.0635 7.0635 7.3019 7.3019 7.4105 7.4105 7.5266 7.5266 7.6098 7.6098 8.0175 8.0175 8.6706 8.6706 8.6928 8.6928 9.0868 9.0868 9.6670 9.6670 9.6709 9.6709 10.5061 10.5061 11.0797 11.0797 11.2544 11.2544 12.6457 12.6457 12.6729 12.6729 12.7542 12.7542 k = 0.0000 0.3953 0.1919 ( 5218 PWs) bands (ev): -1.4717 -1.4717 -1.1491 -1.1491 0.9012 0.9012 2.7765 2.7765 4.4730 4.4730 4.5544 4.5544 5.2366 5.2366 6.1212 6.1212 6.2522 6.2522 6.6175 6.6175 6.7700 6.7700 6.9428 6.9428 7.0685 7.0685 7.2839 7.2839 7.3836 7.3836 7.5095 7.5095 7.5917 7.5917 7.9533 7.9533 8.6584 8.6584 8.6815 8.6815 9.1281 9.1281 9.6949 9.6949 9.7285 9.7285 10.4808 10.4808 11.0275 11.0275 11.2586 11.2586 12.6596 12.6596 12.7393 12.7393 12.8079 12.8079 k = 0.0000 0.4070 0.1919 ( 5216 PWs) bands (ev): -1.4301 -1.4301 -1.1367 -1.1367 0.9789 0.9789 2.6490 2.6490 4.4305 4.4305 4.5090 4.5090 5.3139 5.3139 6.1157 6.1157 6.2668 6.2668 6.5943 6.5943 6.7923 6.7923 6.9480 6.9480 7.0728 7.0728 7.2685 7.2685 7.3585 7.3585 7.4933 7.4933 7.5747 7.5747 7.8897 7.8897 8.6472 8.6472 8.6699 8.6699 9.1695 9.1695 9.7110 9.7110 9.7904 9.7904 10.4724 10.4724 10.9693 10.9693 11.2505 11.2505 12.6754 12.6754 12.8088 12.8088 12.8638 12.8638 k = 0.0000 0.4186 0.1919 ( 5216 PWs) bands (ev): -1.3901 -1.3901 -1.1280 -1.1280 1.0598 1.0598 2.5236 2.5236 4.3935 4.3935 4.4671 4.4671 5.3910 5.3910 6.1056 6.1056 6.2821 6.2821 6.5704 6.5704 6.8152 6.8152 6.9533 6.9533 7.0762 7.0762 7.2550 7.2550 7.3366 7.3366 7.4779 7.4779 7.5592 7.5592 7.8281 7.8281 8.6373 8.6373 8.6586 8.6586 9.2111 9.2111 9.7139 9.7139 9.8560 9.8560 10.4817 10.4817 10.9059 10.9059 11.2302 11.2302 12.6972 12.6972 12.8761 12.8761 12.9190 12.9190 k = 0.0000 0.4302 0.1919 ( 5214 PWs) bands (ev): -1.3519 -1.3519 -1.1231 -1.1231 1.1440 1.1440 2.4006 2.4006 4.3620 4.3620 4.4290 4.4290 5.4672 5.4672 6.0902 6.0902 6.2981 6.2981 6.5464 6.5464 6.8379 6.8379 6.9582 6.9582 7.0786 7.0786 7.2413 7.2413 7.3205 7.3205 7.4632 7.4632 7.5455 7.5455 7.7695 7.7695 8.6287 8.6287 8.6479 8.6479 9.2529 9.2529 9.7044 9.7044 9.9248 9.9248 10.5076 10.5076 10.8380 10.8380 11.1985 11.1985 12.7247 12.7247 12.9398 12.9398 12.9694 12.9694 k = 0.0000 0.4419 0.1919 ( 5206 PWs) bands (ev): -1.3158 -1.3158 -1.1221 -1.1221 1.2315 1.2315 2.2799 2.2799 4.3364 4.3364 4.3949 4.3949 5.5420 5.5420 6.0692 6.0692 6.3150 6.3150 6.5226 6.5226 6.8600 6.8600 6.9624 6.9624 7.0806 7.0806 7.2252 7.2252 7.3128 7.3128 7.4490 7.4490 7.5343 7.5343 7.7150 7.7150 8.6215 8.6215 8.6381 8.6381 9.2949 9.2949 9.6843 9.6843 9.9963 9.9963 10.5475 10.5475 10.7665 10.7665 11.1568 11.1568 12.7573 12.7573 12.9979 12.9979 13.0124 13.0124 k = 0.0000 0.4535 0.1919 ( 5204 PWs) bands (ev): -1.2821 -1.2821 -1.1251 -1.1251 1.3223 1.3223 2.1619 2.1619 4.3166 4.3166 4.3653 4.3653 5.6147 5.6147 6.0421 6.0421 6.3326 6.3326 6.4991 6.4991 6.8810 6.8810 6.9650 6.9650 7.0833 7.0833 7.2059 7.2059 7.3140 7.3140 7.4348 7.4348 7.5261 7.5261 7.6657 7.6657 8.6159 8.6159 8.6295 8.6295 9.3370 9.3370 9.6563 9.6563 10.0700 10.0700 10.5981 10.5981 10.6921 10.6921 11.1066 11.1066 12.7941 12.7941 13.0462 13.0462 13.0494 13.0494 k = 0.0000 0.4651 0.1919 ( 5188 PWs) bands (ev): -1.2509 -1.2509 -1.1320 -1.1320 1.4163 1.4163 2.0465 2.0465 4.3028 4.3028 4.3404 4.3404 5.6846 5.6846 6.0086 6.0086 6.3509 6.3509 6.4761 6.4761 6.9006 6.9006 6.9652 6.9652 7.0882 7.0882 7.1847 7.1847 7.3223 7.3223 7.4201 7.4201 7.5217 7.5217 7.6228 7.6228 8.6119 8.6119 8.6223 8.6223 9.3792 9.3792 9.6228 9.6228 10.1457 10.1457 10.6155 10.6155 10.6567 10.6567 11.0497 11.0497 12.8344 12.8344 13.0775 13.0775 13.0856 13.0856 k = 0.0000 0.4767 0.1919 ( 5192 PWs) bands (ev): -1.2227 -1.2227 -1.1428 -1.1428 1.5136 1.5136 1.9339 1.9339 4.2949 4.2949 4.3205 4.3205 5.7511 5.7511 5.9688 5.9688 6.3700 6.3700 6.4535 6.4535 6.9181 6.9181 6.9622 6.9622 7.0963 7.0963 7.1631 7.1631 7.3355 7.3355 7.4044 7.4044 7.5219 7.5219 7.5871 7.5871 8.6095 8.6095 8.6165 8.6165 9.4214 9.4214 9.5856 9.5856 10.2228 10.2228 10.5376 10.5376 10.7202 10.7202 10.9876 10.9876 12.8775 12.8775 13.0635 13.0635 13.1026 13.1026 k = 0.0000 0.4884 0.1919 ( 5188 PWs) bands (ev): -1.1975 -1.1975 -1.1574 -1.1574 1.6140 1.6140 1.8243 1.8243 4.2928 4.2928 4.3058 4.3058 5.8133 5.8133 5.9227 5.9227 6.3899 6.3899 6.4316 6.4316 6.9334 6.9334 6.9557 6.9557 7.1084 7.1084 7.1426 7.1426 7.3518 7.3518 7.3874 7.3874 7.5275 7.5275 7.5594 7.5594 8.6087 8.6087 8.6122 8.6122 9.4635 9.4635 9.5461 9.5461 10.3010 10.3010 10.4589 10.4589 10.7868 10.7868 10.9221 10.9221 12.9227 12.9227 13.0166 13.0166 13.1199 13.1199 k = 0.0000 0.5000 0.1919 ( 5180 PWs) bands (ev): -1.1757 -1.1757 -1.1757 -1.1757 1.7176 1.7176 1.7176 1.7176 4.2965 4.2965 4.2965 4.2965 5.8708 5.8708 5.8708 5.8708 6.4104 6.4104 6.4104 6.4104 6.9461 6.9461 6.9461 6.9461 7.1241 7.1241 7.1241 7.1241 7.3696 7.3696 7.3696 7.3696 7.5397 7.5397 7.5397 7.5397 8.6096 8.6096 8.6096 8.6096 9.5052 9.5052 9.5052 9.5052 10.3798 10.3798 10.3798 10.3798 10.8546 10.8546 10.8546 10.8546 12.9693 12.9693 12.9693 12.9693 13.1287 13.1287 k = 0.0000 0.5000 0.1919 ( 5180 PWs) bands (ev): -1.1757 -1.1757 -1.1757 -1.1757 1.7176 1.7176 1.7176 1.7176 4.2965 4.2965 4.2965 4.2965 5.8708 5.8708 5.8708 5.8708 6.4104 6.4104 6.4104 6.4104 6.9461 6.9461 6.9461 6.9461 7.1241 7.1241 7.1241 7.1241 7.3696 7.3696 7.3696 7.3696 7.5397 7.5397 7.5397 7.5397 8.6096 8.6096 8.6096 8.6096 9.5052 9.5052 9.5052 9.5052 10.3798 10.3798 10.3798 10.3798 10.8546 10.8546 10.8546 10.8546 12.9693 12.9693 12.9693 12.9693 13.1287 13.1287 k = 0.0116 0.5000 0.1919 ( 5180 PWs) bands (ev): -1.1752 -1.1752 -1.1752 -1.1752 1.7187 1.7187 1.7193 1.7193 4.2967 4.2967 4.2976 4.2976 5.8698 5.8698 5.8716 5.8716 6.4072 6.4072 6.4120 6.4120 6.9385 6.9385 6.9517 6.9517 7.1173 7.1173 7.1291 7.1291 7.3670 7.3670 7.3738 7.3738 7.5403 7.5403 7.5408 7.5408 8.6075 8.6075 8.6094 8.6094 9.5017 9.5017 9.5047 9.5047 10.3585 10.3585 10.3663 10.3663 10.8626 10.8626 10.8724 10.8724 12.9417 12.9417 12.9480 12.9480 13.1453 13.1455 k = 0.0233 0.5000 0.1919 ( 5192 PWs) bands (ev): -1.1738 -1.1738 -1.1736 -1.1736 1.7225 1.7225 1.7237 1.7237 4.2982 4.2982 4.3001 4.3001 5.8689 5.8689 5.8725 5.8725 6.4023 6.4023 6.4118 6.4118 6.9291 6.9291 6.9552 6.9552 7.1091 7.1091 7.1318 7.1318 7.3661 7.3661 7.3792 7.3792 7.5426 7.5426 7.5437 7.5437 8.6030 8.6030 8.6069 8.6069 9.4939 9.4939 9.5000 9.5000 10.3090 10.3090 10.3223 10.3223 10.8919 10.8919 10.9093 10.9093 12.8921 12.8921 12.8978 12.8978 13.1869 13.1870 k = 0.0349 0.5000 0.1919 ( 5200 PWs) bands (ev): -1.1713 -1.1713 -1.1711 -1.1711 1.7290 1.7290 1.7308 1.7308 4.3011 4.3011 4.3038 4.3038 5.8679 5.8679 5.8734 5.8734 6.3959 6.3959 6.4099 6.4099 6.9183 6.9183 6.9563 6.9563 7.0999 7.0999 7.1319 7.1319 7.3673 7.3673 7.3857 7.3857 7.5466 7.5466 7.5481 7.5481 8.5963 8.5963 8.6019 8.6019 9.4813 9.4813 9.4904 9.4904 10.2419 10.2419 10.2588 10.2588 10.9321 10.9321 10.9551 10.9551 12.8410 12.8410 12.8435 12.8435 13.2294 13.2294 k = 0.0465 0.5000 0.1919 ( 5216 PWs) bands (ev): -1.1679 -1.1679 -1.1676 -1.1676 1.7382 1.7382 1.7406 1.7406 4.3052 4.3052 4.3088 4.3088 5.8668 5.8668 5.8742 5.8742 6.3882 6.3882 6.4064 6.4064 6.9063 6.9063 6.9550 6.9550 7.0900 7.0900 7.1291 7.1291 7.3706 7.3706 7.3931 7.3931 7.5522 7.5522 7.5542 7.5542 8.5873 8.5873 8.5946 8.5946 9.4626 9.4626 9.4745 9.4745 10.1659 10.1659 10.1852 10.1852 10.9744 10.9744 11.0018 11.0018 12.7948 12.7948 12.7965 12.7965 13.2645 13.2646 k = 0.0581 0.5000 0.1919 ( 5220 PWs) bands (ev): -1.1635 -1.1635 -1.1631 -1.1631 1.7502 1.7502 1.7531 1.7531 4.3105 4.3105 4.3149 4.3149 5.8655 5.8655 5.8749 5.8749 6.3794 6.3794 6.4013 6.4013 6.8932 6.8932 6.9513 6.9513 7.0797 7.0797 7.1233 7.1233 7.3760 7.3760 7.4015 7.4015 7.5593 7.5593 7.5617 7.5617 8.5761 8.5761 8.5848 8.5848 9.4361 9.4361 9.4506 9.4506 10.0874 10.0874 10.1082 10.1082 11.0134 11.0134 11.0444 11.0444 12.7562 12.7562 12.7626 12.7626 13.2903 13.2903 k = 0.0698 0.5000 0.1919 ( 5228 PWs) bands (ev): -1.1581 -1.1581 -1.1576 -1.1576 1.7648 1.7648 1.7684 1.7684 4.3170 4.3170 4.3221 4.3221 5.8640 5.8640 5.8754 5.8754 6.3695 6.3695 6.3947 6.3947 6.8795 6.8795 6.9453 6.9453 7.0689 7.0689 7.1148 7.1148 7.3835 7.3835 7.4106 7.4106 7.5677 7.5677 7.5705 7.5705 8.5626 8.5626 8.5726 8.5726 9.4000 9.4000 9.4163 9.4163 10.0114 10.0114 10.0331 10.0331 11.0461 11.0461 11.0798 11.0798 12.7307 12.7307 12.7419 12.7419 13.3069 13.3069 k = 0.0814 0.5000 0.1919 ( 5220 PWs) bands (ev): -1.1519 -1.1519 -1.1513 -1.1513 1.7822 1.7822 1.7863 1.7863 4.3244 4.3244 4.3302 4.3302 5.8621 5.8621 5.8757 5.8757 6.3590 6.3590 6.3870 6.3870 6.8652 6.8652 6.9374 6.9374 7.0577 7.0577 7.1036 7.1036 7.3928 7.3928 7.4205 7.4205 7.5774 7.5774 7.5806 7.5806 8.5470 8.5470 8.5578 8.5578 9.3522 9.3522 9.3691 9.3691 9.9420 9.9420 9.9634 9.9634 11.0709 11.0709 11.1067 11.1067 12.7200 12.7200 12.7356 12.7356 13.3154 13.3154 k = 0.0930 0.5000 0.1919 ( 5224 PWs) bands (ev): -1.1447 -1.1447 -1.1440 -1.1440 1.8022 1.8022 1.8069 1.8069 4.3327 4.3327 4.3391 4.3391 5.8598 5.8598 5.8756 5.8756 6.3479 6.3479 6.3781 6.3781 6.8505 6.8505 6.9276 6.9276 7.0460 7.0460 7.0901 7.0901 7.4037 7.4037 7.4311 7.4311 7.5881 7.5881 7.5916 7.5916 8.5290 8.5290 8.5402 8.5402 9.2917 9.2917 9.3076 9.3076 9.8819 9.8819 9.9018 9.9018 11.0876 11.0876 11.1245 11.1245 12.7247 12.7247 12.7442 12.7442 13.3175 13.3176 k = 0.1047 0.5000 0.1919 ( 5220 PWs) bands (ev): -1.1366 -1.1366 -1.1358 -1.1358 1.8249 1.8249 1.8302 1.8302 4.3418 4.3418 4.3486 4.3486 5.8570 5.8570 5.8752 5.8752 6.3366 6.3366 6.3683 6.3683 6.8357 6.8357 6.9165 6.9165 7.0339 7.0339 7.0747 7.0747 7.4159 7.4159 7.4424 7.4424 7.5996 7.5996 7.6034 7.6034 8.5085 8.5085 8.5195 8.5195 9.2188 9.2188 9.2322 9.2322 9.8316 9.8316 9.8490 9.8490 11.0972 11.0972 11.1341 11.1341 12.7446 12.7446 12.7670 12.7670 13.3148 13.3148 k = 0.1163 0.5000 0.1919 ( 5216 PWs) bands (ev): -1.1277 -1.1277 -1.1268 -1.1268 1.8503 1.8503 1.8561 1.8561 4.3514 4.3514 4.3585 4.3585 5.8536 5.8536 5.8742 5.8742 6.3252 6.3252 6.3578 6.3578 6.8209 6.8209 6.9042 6.9042 7.0213 7.0213 7.0577 7.0577 7.4291 7.4291 7.4543 7.4543 7.6117 7.6117 7.6157 7.6157 8.4849 8.4849 8.4950 8.4950 9.1359 9.1359 9.1453 9.1453 9.7898 9.7898 9.8040 9.8040 11.1010 11.1010 11.1369 11.1369 12.7785 12.7785 12.8030 12.8030 13.3087 13.3087 k = 0.1279 0.5000 0.1919 ( 5220 PWs) bands (ev): -1.1179 -1.1179 -1.1170 -1.1170 1.8783 1.8783 1.8846 1.8846 4.3614 4.3614 4.3687 4.3687 5.8495 5.8495 5.8726 5.8726 6.3140 6.3140 6.3468 6.3468 6.8063 6.8063 6.8911 6.8911 7.0083 7.0083 7.0394 7.0394 7.4431 7.4431 7.4667 7.4667 7.6241 7.6241 7.6284 7.6284 8.4577 8.4577 8.4657 8.4657 9.0465 9.0465 9.0507 9.0507 9.7540 9.7540 9.7649 9.7649 11.1009 11.1009 11.1349 11.1349 12.8247 12.8247 12.8503 12.8503 13.3004 13.3004 k = 0.1395 0.5000 0.1919 ( 5212 PWs) bands (ev): -1.1074 -1.1074 -1.1064 -1.1064 1.9089 1.9089 1.9158 1.9158 4.3716 4.3716 4.3790 4.3790 5.8449 5.8449 5.8705 5.8705 6.3031 6.3031 6.3355 6.3355 6.7922 6.7922 6.8773 6.8773 6.9950 6.9950 7.0201 7.0201 7.4578 7.4578 7.4795 7.4795 7.6365 7.6365 7.6409 7.6409 8.4254 8.4254 8.4300 8.4300 8.9527 8.9527 8.9550 8.9550 9.7218 9.7218 9.7294 9.7294 11.0988 11.0988 11.1302 11.1302 12.8813 12.8813 12.9071 12.9071 13.2910 13.2910 k = 0.1512 0.5000 0.1919 ( 5212 PWs) bands (ev): -1.0962 -1.0962 -1.0951 -1.0951 1.9421 1.9421 1.9495 1.9495 4.3818 4.3818 4.3890 4.3890 5.8396 5.8396 5.8676 5.8676 6.2927 6.2927 6.3240 6.3240 6.7785 6.7785 6.8631 6.8631 6.9817 6.9817 7.0002 7.0002 7.4728 7.4728 7.4926 7.4926 7.6486 7.6486 7.6531 7.6531 8.3857 8.3857 8.3861 8.3861 8.8563 8.8563 8.8663 8.8663 9.6908 9.6908 9.6958 9.6958 11.0966 11.0966 11.1248 11.1248 12.9461 12.9461 12.9713 12.9713 13.2814 13.2814 k = 0.1628 0.5000 0.1919 ( 5212 PWs) bands (ev): -1.0843 -1.0843 -1.0832 -1.0832 1.9778 1.9778 1.9858 1.9858 4.3916 4.3916 4.3986 4.3986 5.8337 5.8337 5.8642 5.8642 6.2828 6.2828 6.3125 6.3125 6.7654 6.7654 6.8485 6.8485 6.9684 6.9684 6.9798 6.9798 7.4879 7.4879 7.5058 7.5058 7.6600 7.6600 7.6645 7.6645 8.3303 8.3303 8.3370 8.3370 8.7666 8.7666 8.7853 8.7853 9.6597 9.6597 9.6623 9.6623 11.0957 11.0957 11.1206 11.1206 13.0172 13.0172 13.0409 13.0409 13.2725 13.2725 k = 0.1744 0.5000 0.1919 ( 5224 PWs) bands (ev): -1.0717 -1.0717 -1.0706 -1.0706 2.0162 2.0162 2.0246 2.0246 4.4010 4.4010 4.4074 4.4074 5.8275 5.8275 5.8601 5.8601 6.2734 6.2734 6.3009 6.3009 6.7531 6.7531 6.8336 6.8336 6.9553 6.9553 6.9591 6.9591 7.5028 7.5028 7.5189 7.5189 7.6699 7.6699 7.6743 7.6743 8.2624 8.2624 8.2755 8.2755 8.6885 8.6885 8.7158 8.7158 9.6272 9.6272 9.6281 9.6281 11.0975 11.0975 11.1188 11.1188 13.0918 13.0918 13.1128 13.1128 13.2657 13.2657 k = 0.1860 0.5000 0.1919 ( 5216 PWs) bands (ev): -1.0586 -1.0586 -1.0574 -1.0574 2.0570 2.0570 2.0659 2.0659 4.4096 4.4096 4.4154 4.4154 5.8210 5.8210 5.8556 5.8556 6.2645 6.2645 6.2893 6.2893 6.7417 6.7417 6.8185 6.8185 6.9385 6.9385 6.9428 6.9428 7.5173 7.5173 7.5317 7.5317 7.6775 7.6775 7.6814 7.6814 8.1831 8.1831 8.2013 8.2013 8.6250 8.6250 8.6593 8.6593 9.5924 9.5924 9.5927 9.5927 11.1028 11.1028 11.1206 11.1206 13.1643 13.1643 13.1813 13.1813 13.2654 13.2654 k = 0.1977 0.5000 0.1919 ( 5216 PWs) bands (ev): -1.0450 -1.0450 -1.0437 -1.0437 2.1002 2.1002 2.1096 2.1096 4.4172 4.4172 4.4221 4.4221 5.8145 5.8145 5.8508 5.8508 6.2558 6.2558 6.2776 6.2776 6.7311 6.7311 6.8031 6.8031 6.9178 6.9178 6.9308 6.9308 7.5307 7.5307 7.5437 7.5437 7.6809 7.6809 7.6842 7.6842 8.0968 8.0968 8.1182 8.1182 8.5757 8.5757 8.6147 8.6147 9.5549 9.5549 9.5558 9.5558 11.1121 11.1121 11.1266 11.1266 13.2120 13.2120 13.2284 13.2284 13.2933 13.2933 k = 0.2093 0.5000 0.1919 ( 5216 PWs) bands (ev): -1.0309 -1.0309 -1.0296 -1.0296 2.1459 2.1459 2.1558 2.1558 4.4236 4.4236 4.4275 4.4275 5.8082 5.8082 5.8459 5.8459 6.2473 6.2473 6.2655 6.2655 6.7214 6.7214 6.7875 6.7875 6.8972 6.8972 6.9195 6.9195 7.5419 7.5419 7.5542 7.5542 7.6770 7.6770 7.6790 7.6790 8.0111 8.0111 8.0337 8.0337 8.5380 8.5380 8.5798 8.5798 9.5155 9.5155 9.5166 9.5166 11.1257 11.1257 11.1371 11.1371 13.2211 13.2211 13.2420 13.2420 13.3617 13.3617 k = 0.2209 0.5000 0.1919 ( 5212 PWs) bands (ev): -1.0165 -1.0165 -1.0151 -1.0151 2.1940 2.1940 2.2043 2.2043 4.4286 4.4286 4.4313 4.4313 5.8022 5.8022 5.8411 5.8411 6.2387 6.2387 6.2530 6.2530 6.7125 6.7125 6.7716 6.7716 6.8765 6.8765 6.9086 6.9086 7.5477 7.5477 7.5606 7.5606 7.6615 7.6615 7.6615 7.6615 7.9370 7.9370 7.9590 7.9590 8.5092 8.5092 8.5524 8.5524 9.4741 9.4741 9.4750 9.4750 11.1436 11.1436 11.1521 11.1521 13.2198 13.2198 13.2416 13.2416 13.4410 13.4410 k = 0.2326 0.5000 0.1919 ( 5216 PWs) bands (ev): -1.0017 -1.0017 -1.0003 -1.0003 2.2445 2.2445 2.2551 2.2551 4.4319 4.4319 4.4334 4.4334 5.7969 5.7969 5.8366 5.8366 6.2296 6.2296 6.2397 6.2397 6.7043 6.7043 6.7554 6.7554 6.8555 6.8555 6.8978 6.8978 7.5370 7.5370 7.5527 7.5527 7.6338 7.6338 7.6375 7.6375 7.8854 7.8854 7.9054 7.9054 8.4870 8.4870 8.5309 8.5309 9.4311 9.4311 9.4314 9.4314 11.1657 11.1657 11.1715 11.1715 13.2171 13.2171 13.2379 13.2379 13.5204 13.5204 k = 0.2442 0.5000 0.1919 ( 5204 PWs) bands (ev): -0.9867 -0.9867 -0.9852 -0.9852 2.2972 2.2972 2.3082 2.3082 4.4336 4.4336 4.4337 4.4337 5.7922 5.7922 5.8326 5.8326 6.2197 6.2197 6.2253 6.2253 6.6966 6.6966 6.7388 6.7388 6.8336 6.8336 6.8864 6.8864 7.4907 7.4907 7.5073 7.5073 7.6199 7.6199 7.6252 7.6252 7.8578 7.8578 7.8753 7.8753 8.4702 8.4702 8.5141 8.5141 9.3861 9.3861 9.3867 9.3867 11.1914 11.1914 11.1949 11.1949 13.2145 13.2145 13.2335 13.2335 13.5951 13.5951 k = 0.2558 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.9715 -0.9715 -0.9700 -0.9700 2.3521 2.3521 2.3635 2.3635 4.4321 4.4321 4.4334 4.4334 5.7883 5.7883 5.8291 5.8291 6.2086 6.2086 6.2094 6.2094 6.6891 6.6891 6.7216 6.7216 6.8095 6.8095 6.8731 6.8731 7.4174 7.4174 7.4328 7.4328 7.6218 7.6218 7.6271 7.6271 7.8459 7.8459 7.8612 7.8612 8.4579 8.4579 8.5015 8.5015 9.3395 9.3395 9.3413 9.3413 11.2204 11.2204 11.2217 11.2217 13.2126 13.2126 13.2292 13.2292 13.6498 13.6502 k = 0.2674 0.5000 0.1919 ( 5212 PWs) bands (ev): -0.9562 -0.9562 -0.9547 -0.9547 2.4092 2.4092 2.4209 2.4209 4.4286 4.4286 4.4314 4.4314 5.7851 5.7851 5.8262 5.8262 6.1916 6.1916 6.1958 6.1958 6.6817 6.6817 6.7034 6.7034 6.7817 6.7817 6.8560 6.8560 7.3376 7.3376 7.3523 7.3523 7.6279 7.6279 7.6340 7.6340 7.8415 7.8415 7.8553 7.8553 8.4497 8.4497 8.4927 8.4927 9.2922 9.2922 9.2953 9.2953 11.2514 11.2514 11.2519 11.2519 13.2113 13.2113 13.2252 13.2252 13.6782 13.6782 k = 0.2791 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.9409 -0.9409 -0.9394 -0.9394 2.4683 2.4683 2.4803 2.4803 4.4233 4.4233 4.4276 4.4276 5.7825 5.7825 5.8238 5.8238 6.1713 6.1713 6.1808 6.1808 6.6742 6.6742 6.6835 6.6835 6.7480 6.7480 6.8328 6.8328 7.2632 7.2632 7.2783 7.2783 7.6348 7.6348 7.6420 7.6420 7.8403 7.8403 7.8528 7.8528 8.4452 8.4452 8.4874 8.4874 9.2445 9.2445 9.2490 9.2490 11.2830 11.2830 11.2853 11.2853 13.2110 13.2110 13.2218 13.2218 13.6945 13.6945 k = 0.2907 0.5000 0.1919 ( 5196 PWs) bands (ev): -0.9257 -0.9257 -0.9242 -0.9242 2.5293 2.5293 2.5416 2.5416 4.4163 4.4163 4.4221 4.4221 5.7800 5.7800 5.8213 5.8213 6.1480 6.1480 6.1627 6.1627 6.6602 6.6602 6.6661 6.6661 6.7065 6.7065 6.8022 6.8022 7.2011 7.2011 7.2187 7.2187 7.6414 7.6414 7.6500 7.6500 7.8398 7.8398 7.8512 7.8512 8.4444 8.4444 8.4855 8.4855 9.1970 9.1970 9.2029 9.2029 11.3159 11.3159 11.3197 11.3197 13.2115 13.2115 13.2191 13.2191 13.7061 13.7062 k = 0.3023 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.9106 -0.9106 -0.9091 -0.9091 2.5923 2.5923 2.6048 2.6048 4.4078 4.4078 4.4149 4.4149 5.7770 5.7770 5.8182 5.8182 6.1211 6.1211 6.1411 6.1411 6.6310 6.6310 6.6519 6.6519 6.6624 6.6624 6.7661 6.7661 7.1551 7.1551 7.1773 7.1773 7.6472 7.6472 7.6572 7.6572 7.8389 7.8389 7.8493 7.8493 8.4469 8.4469 8.4868 8.4868 9.1502 9.1502 9.1574 9.1574 11.3491 11.3491 11.3543 11.3543 13.2132 13.2132 13.2174 13.2174 13.7159 13.7159 k = 0.3140 0.5000 0.1919 ( 5204 PWs) bands (ev): -0.8958 -0.8958 -0.8943 -0.8943 2.6569 2.6569 2.6695 2.6695 4.3981 4.3981 4.4064 4.4064 5.7724 5.7724 5.8131 5.8131 6.0905 6.0905 6.1151 6.1151 6.5929 6.5929 6.5987 6.5987 6.6509 6.6509 6.7309 6.7309 7.1255 7.1255 7.1534 7.1534 7.6522 7.6522 7.6636 7.6636 7.8369 7.8369 7.8462 7.8462 8.4527 8.4527 8.4912 8.4912 9.1043 9.1043 9.1128 9.1128 11.3816 11.3816 11.3880 11.3880 13.2165 13.2165 13.2172 13.2172 13.7253 13.7253 k = 0.3256 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.8813 -0.8813 -0.8798 -0.8798 2.7230 2.7230 2.7358 2.7358 4.3873 4.3873 4.3968 4.3968 5.7645 5.7645 5.8036 5.8036 6.0571 6.0571 6.0849 6.0849 6.5406 6.5406 6.5464 6.5464 6.6422 6.6422 6.7020 6.7020 7.1101 7.1101 7.1437 7.1437 7.6561 7.6561 7.6689 7.6689 7.8333 7.8333 7.8415 7.8415 8.4614 8.4614 8.4985 8.4985 9.0599 9.0599 9.0695 9.0695 11.4126 11.4126 11.4199 11.4199 13.2192 13.2192 13.2218 13.2218 13.7348 13.7348 k = 0.3372 0.5000 0.1919 ( 5208 PWs) bands (ev): -0.8672 -0.8672 -0.8658 -0.8658 2.7905 2.7905 2.8034 2.8034 4.3758 4.3758 4.3863 4.3863 5.7505 5.7505 5.7855 5.7855 6.0237 6.0237 6.0517 6.0517 6.4848 6.4848 6.4967 6.4967 6.6337 6.6337 6.6797 6.6797 7.1060 7.1060 7.1445 7.1445 7.6590 7.6590 7.6732 7.6732 7.8279 7.8279 7.8349 7.8349 8.4728 8.4728 8.5083 8.5083 9.0174 9.0174 9.0278 9.0278 11.4409 11.4409 11.4491 11.4491 13.2243 13.2243 13.2300 13.2300 13.7450 13.7451 k = 0.3488 0.5000 0.1919 ( 5208 PWs) bands (ev): -0.8537 -0.8537 -0.8523 -0.8523 2.8591 2.8591 2.8720 2.8720 4.3640 4.3640 4.3752 4.3752 5.7263 5.7263 5.7536 5.7536 5.9953 5.9953 6.0190 6.0190 6.4346 6.4346 6.4497 6.4497 6.6254 6.6254 6.6620 6.6620 7.1105 7.1105 7.1528 7.1528 7.6608 7.6608 7.6764 7.6764 7.8205 7.8205 7.8264 7.8264 8.4865 8.4865 8.5202 8.5202 8.9770 8.9770 8.9880 8.9880 11.4658 11.4658 11.4745 11.4745 13.2335 13.2335 13.2420 13.2420 13.7563 13.7563 k = 0.3605 0.5000 0.1919 ( 5212 PWs) bands (ev): -0.8407 -0.8407 -0.8393 -0.8393 2.9285 2.9285 2.9413 2.9413 4.3520 4.3520 4.3639 4.3639 5.6879 5.6879 5.7047 5.7047 5.9762 5.9762 5.9914 5.9914 6.3913 6.3913 6.4084 6.4084 6.6174 6.6174 6.6474 6.6474 7.1217 7.1217 7.1667 7.1667 7.6615 7.6615 7.6784 7.6784 7.8111 7.8111 7.8158 7.8158 8.5021 8.5021 8.5340 8.5340 8.9392 8.9392 8.9504 8.9504 11.4867 11.4867 11.4956 11.4956 13.2480 13.2480 13.2585 13.2585 13.7688 13.7688 k = 0.3721 0.5000 0.1919 ( 5204 PWs) bands (ev): -0.8284 -0.8284 -0.8271 -0.8271 2.9983 2.9983 3.0110 3.0110 4.3404 4.3404 4.3527 4.3527 5.6340 5.6340 5.6401 5.6401 5.9664 5.9664 5.9722 5.9722 6.3549 6.3549 6.3735 6.3735 6.6098 6.6098 6.6349 6.6349 7.1379 7.1379 7.1848 7.1848 7.6609 7.6609 7.6794 7.6794 7.7998 7.7998 7.8034 7.8034 8.5191 8.5191 8.5492 8.5492 8.9041 8.9041 8.9153 8.9153 11.5029 11.5029 11.5119 11.5119 13.2685 13.2685 13.2804 13.2804 13.7826 13.7826 k = 0.3837 0.5000 0.1919 ( 5192 PWs) bands (ev): -0.8168 -0.8168 -0.8156 -0.8156 3.0681 3.0681 3.0805 3.0805 4.3294 4.3294 4.3420 4.3420 5.5646 5.5646 5.5668 5.5668 5.9615 5.9615 5.9635 5.9635 6.3244 6.3244 6.3444 6.3444 6.6027 6.6027 6.6240 6.6240 7.1582 7.1582 7.2063 7.2063 7.6589 7.6589 7.6791 7.6791 7.7868 7.7868 7.7895 7.7895 8.5371 8.5371 8.5652 8.5652 8.8720 8.8720 8.8830 8.8830 11.5143 11.5143 11.5231 11.5231 13.2959 13.2959 13.3082 13.3082 13.7973 13.7974 k = 0.3953 0.5000 0.1919 ( 5196 PWs) bands (ev): -0.8061 -0.8061 -0.8049 -0.8049 3.1373 3.1373 3.1493 3.1493 4.3193 4.3193 4.3320 4.3320 5.4828 5.4828 5.4906 5.4906 5.9573 5.9573 5.9648 5.9648 6.2990 6.2990 6.3199 6.3199 6.5963 6.5963 6.6143 6.6143 7.1817 7.1817 7.2304 7.2304 7.6550 7.6550 7.6772 7.6772 7.7724 7.7724 7.7745 7.7745 8.5555 8.5555 8.5816 8.5816 8.8431 8.8431 8.8534 8.8534 11.5211 11.5211 11.5294 11.5294 13.3302 13.3302 13.3421 13.3421 13.8125 13.8126 k = 0.4070 0.5000 0.1919 ( 5196 PWs) bands (ev): -0.7962 -0.7962 -0.7952 -0.7952 3.2052 3.2052 3.2166 3.2166 4.3105 4.3105 4.3232 4.3232 5.3985 5.3985 5.4099 5.4099 5.9574 5.9574 5.9685 5.9685 6.2777 6.2777 6.2991 6.2991 6.5904 6.5904 6.6058 6.6058 7.2079 7.2079 7.2566 7.2566 7.6486 7.6486 7.6732 7.6732 7.7574 7.7574 7.7594 7.7594 8.5739 8.5739 8.5979 8.5979 8.8174 8.8174 8.8268 8.8268 11.5238 11.5238 11.5313 11.5313 13.3714 13.3714 13.3818 13.3818 13.8273 13.8273 k = 0.4186 0.5000 0.1919 ( 5192 PWs) bands (ev): -0.7874 -0.7874 -0.7865 -0.7865 3.2708 3.2708 3.2815 3.2815 4.3034 4.3034 4.3158 4.3158 5.3147 5.3147 5.3281 5.3281 5.9603 5.9603 5.9735 5.9735 6.2599 6.2599 6.2812 6.2812 6.5853 6.5853 6.5984 6.5984 7.2361 7.2361 7.2846 7.2846 7.6388 7.6388 7.6662 7.6662 7.7430 7.7430 7.7452 7.7452 8.5917 8.5917 8.6135 8.6135 8.7951 8.7951 8.8032 8.8032 11.5229 11.5229 11.5296 11.5296 13.4186 13.4186 13.4266 13.4266 13.8401 13.8401 k = 0.4302 0.5000 0.1919 ( 5192 PWs) bands (ev): -0.7795 -0.7795 -0.7787 -0.7787 3.3330 3.3330 3.3428 3.3428 4.2981 4.2981 4.3101 4.3101 5.2340 5.2340 5.2481 5.2481 5.9647 5.9647 5.9788 5.9788 6.2451 6.2451 6.2657 6.2657 6.5809 6.5809 6.5918 6.5918 7.2660 7.2660 7.3140 7.3140 7.6248 7.6248 7.6548 7.6548 7.7306 7.7306 7.7331 7.7331 8.6084 8.6084 8.6280 8.6280 8.7761 8.7761 8.7829 8.7829 11.5195 11.5195 11.5253 11.5253 13.4706 13.4706 13.4753 13.4753 13.8493 13.8493 k = 0.4419 0.5000 0.1919 ( 5188 PWs) bands (ev): -0.7728 -0.7728 -0.7721 -0.7721 3.3904 3.3904 3.3991 3.3991 4.2950 4.2950 4.3062 4.3062 5.1587 5.1587 5.1727 5.1727 5.9700 5.9700 5.9839 5.9839 6.2331 6.2331 6.2522 6.2522 6.5773 6.5773 6.5862 6.5862 7.2973 7.2973 7.3444 7.3444 7.6062 7.6062 7.6384 7.6384 7.7214 7.7214 7.7237 7.7237 8.6236 8.6236 8.6407 8.6407 8.7605 8.7605 8.7657 8.7657 11.5145 11.5145 11.5193 11.5193 13.5257 13.5257 13.5260 13.5260 13.8534 13.8534 k = 0.4535 0.5000 0.1919 ( 5196 PWs) bands (ev): -0.7672 -0.7672 -0.7667 -0.7667 3.4414 3.4414 3.4488 3.4488 4.2940 4.2940 4.3041 4.3041 5.0915 5.0915 5.1044 5.1044 5.9756 5.9756 5.9882 5.9882 6.2238 6.2238 6.2405 6.2405 6.5744 6.5744 6.5815 6.5815 7.3295 7.3295 7.3755 7.3755 7.5834 7.5834 7.6173 7.6173 7.7152 7.7152 7.7169 7.7169 8.6368 8.6368 8.6513 8.6513 8.7481 8.7481 8.7518 8.7518 11.5089 11.5089 11.5127 11.5127 13.5769 13.5769 13.5814 13.5814 13.8518 13.8519 k = 0.4651 0.5000 0.1919 ( 5196 PWs) bands (ev): -0.7628 -0.7628 -0.7624 -0.7624 3.4842 3.4842 3.4899 3.4899 4.2949 4.2949 4.3033 4.3033 5.0352 5.0352 5.0461 5.0461 5.9810 5.9810 5.9915 5.9915 6.2172 6.2172 6.2307 6.2307 6.5724 6.5724 6.5776 6.5776 7.3623 7.3623 7.4068 7.4068 7.5574 7.5574 7.5926 7.5926 7.7113 7.7113 7.7124 7.7124 8.6477 8.6477 8.6593 8.6593 8.7390 8.7390 8.7412 8.7412 11.5035 11.5035 11.5063 11.5063 13.6253 13.6253 13.6347 13.6347 13.8451 13.8451 k = 0.4767 0.5000 0.1919 ( 5196 PWs) bands (ev): -0.7596 -0.7596 -0.7593 -0.7593 3.5167 3.5167 3.5207 3.5207 4.2972 4.2972 4.3033 4.3033 4.9926 4.9926 5.0005 5.0005 5.9858 5.9858 5.9933 5.9933 6.2132 6.2132 6.2227 6.2227 6.5711 6.5711 6.5746 6.5746 7.3953 7.3953 7.4377 7.4377 7.5294 7.5294 7.5655 7.5655 7.7089 7.7089 7.7095 7.7095 8.6561 8.6561 8.6643 8.6643 8.7327 8.7327 8.7339 8.7339 11.4993 11.4993 11.5011 11.5011 13.6686 13.6686 13.6812 13.6812 13.8351 13.8352 k = 0.4884 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.7577 -0.7577 -0.7575 -0.7575 3.5375 3.5375 3.5395 3.5395 4.2999 4.2999 4.3031 4.3031 4.9665 4.9665 4.9708 4.9708 5.9897 5.9897 5.9936 5.9936 6.2119 6.2119 6.2168 6.2168 6.5708 6.5708 6.5725 6.5725 7.4278 7.4278 7.4642 7.4642 7.5038 7.5038 7.5370 7.5370 7.7076 7.7076 7.7079 7.7079 8.6620 8.6620 8.6663 8.6663 8.7292 8.7292 8.7296 8.7296 11.4966 11.4966 11.4976 11.4976 13.7031 13.7031 13.7139 13.7139 13.8268 13.8268 k = 0.5000 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.7570 -0.7570 -0.7570 -0.7570 3.5452 3.5452 3.5452 3.5452 4.3020 4.3020 4.3020 4.3020 4.9591 4.9591 4.9591 4.9591 5.9924 5.9924 5.9924 5.9924 6.2132 6.2132 6.2132 6.2132 6.5712 6.5712 6.5712 6.5712 7.4576 7.4576 7.4576 7.4576 7.5095 7.5095 7.5095 7.5095 7.7073 7.7073 7.7073 7.7073 8.6655 8.6655 8.6655 8.6655 8.7282 8.7282 8.7282 8.7282 11.4960 11.4960 11.4960 11.4960 13.7217 13.7217 13.7217 13.7217 13.8299 13.8299 k = 0.5000 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.7570 -0.7570 -0.7570 -0.7570 3.5452 3.5452 3.5452 3.5452 4.3020 4.3020 4.3020 4.3020 4.9591 4.9591 4.9591 4.9591 5.9924 5.9924 5.9924 5.9924 6.2132 6.2132 6.2132 6.2132 6.5712 6.5712 6.5712 6.5712 7.4576 7.4576 7.4576 7.4576 7.5095 7.5095 7.5095 7.5095 7.7073 7.7073 7.7073 7.7073 8.6655 8.6655 8.6655 8.6655 8.7282 8.7282 8.7282 8.7282 11.4960 11.4960 11.4960 11.4960 13.7217 13.7217 13.7217 13.7217 13.8299 13.8299 k = 0.4918 0.4918 0.1919 ( 5196 PWs) bands (ev): -0.7580 -0.7580 -0.7572 -0.7572 3.5306 3.5306 3.5466 3.5466 4.2990 4.2990 4.3039 4.3039 4.9624 4.9624 4.9748 4.9748 5.9896 5.9896 5.9938 5.9938 6.2116 6.2116 6.2172 6.2172 6.5707 6.5707 6.5725 6.5725 7.4254 7.4254 7.4757 7.4757 7.4912 7.4912 7.5404 7.5404 7.7074 7.7074 7.7081 7.7081 8.6616 8.6616 8.6667 8.6667 8.7286 8.7286 8.7303 8.7303 11.4961 11.4961 11.4981 11.4981 13.6998 13.6998 13.7197 13.7197 13.8167 13.8167 k = 0.4836 0.4836 0.1919 ( 5190 PWs) bands (ev): -0.7609 -0.7609 -0.7580 -0.7580 3.4886 3.4886 3.5505 3.5505 4.2921 4.2921 4.3077 4.3077 4.9731 4.9731 5.0188 5.0188 5.9849 5.9849 5.9945 5.9945 6.2108 6.2108 6.2250 6.2250 6.5709 6.5709 6.5750 6.5750 7.3863 7.3863 7.4759 7.4759 7.4859 7.4859 7.5797 7.5797 7.7079 7.7079 7.7107 7.7107 8.6529 8.6529 8.6671 8.6671 8.7298 8.7298 8.7371 8.7371 11.4965 11.4965 11.5039 11.5039 13.6596 13.6596 13.7084 13.7084 13.7884 13.7884 k = 0.4754 0.4754 0.1919 ( 5186 PWs) bands (ev): -0.7659 -0.7659 -0.7593 -0.7593 3.4240 3.4240 3.5570 3.5570 4.2814 4.2814 4.3139 4.3139 4.9903 4.9903 5.0868 5.0868 5.9784 5.9784 5.9949 5.9949 6.2100 6.2100 6.2368 6.2368 6.5715 6.5715 6.5786 6.5786 7.3457 7.3457 7.4623 7.4623 7.4900 7.4900 7.6205 7.6205 7.7089 7.7089 7.7161 7.7161 8.6380 8.6380 8.6673 8.6673 8.7318 8.7318 8.7492 8.7492 11.4968 11.4968 11.5133 11.5133 13.6146 13.6146 13.6928 13.6928 13.7475 13.7475 k = 0.4672 0.4672 0.1919 ( 5186 PWs) bands (ev): -0.7729 -0.7729 -0.7612 -0.7612 3.3421 3.3421 3.5662 3.5662 4.2676 4.2676 4.3226 4.3226 5.0130 5.0130 5.1729 5.1729 5.9707 5.9707 5.9953 5.9953 6.2090 6.2090 6.2526 6.2526 6.5727 6.5727 6.5835 6.5835 7.3053 7.3053 7.4461 7.4461 7.4930 7.4930 7.6567 7.6567 7.7112 7.7112 7.7277 7.7277 8.6168 8.6168 8.6675 8.6675 8.7346 8.7346 8.7667 8.7667 11.4966 11.4966 11.5259 11.5259 13.5686 13.5686 13.6755 13.6755 13.6995 13.6995 k = 0.4590 0.4590 0.1919 ( 5190 PWs) bands (ev): -0.7819 -0.7819 -0.7637 -0.7637 3.2478 3.2478 3.5779 3.5779 4.2519 4.2519 4.3337 4.3337 5.0403 5.0403 5.2714 5.2714 5.9626 5.9626 5.9957 5.9957 6.2076 6.2076 6.2721 6.2721 6.5745 6.5745 6.5897 6.5897 7.2660 7.2660 7.4271 7.4271 7.4954 7.4954 7.6795 7.6795 7.7153 7.7153 7.7530 7.7530 8.5897 8.5897 8.6676 8.6676 8.7383 8.7383 8.7890 8.7890 11.4953 11.4953 11.5411 11.5411 13.5230 13.5230 13.6391 13.6391 13.6691 13.6691 k = 0.4508 0.4508 0.1919 ( 5194 PWs) bands (ev): -0.7929 -0.7929 -0.7668 -0.7668 3.1449 3.1449 3.5923 3.5923 4.2350 4.2350 4.3472 4.3472 5.0710 5.0710 5.3774 5.3774 5.9547 5.9547 5.9962 5.9962 6.2056 6.2056 6.2952 6.2952 6.5769 6.5769 6.5972 6.5972 7.2283 7.2283 7.4054 7.4054 7.4975 7.4975 7.6884 7.6884 7.7214 7.7214 7.7921 7.7921 8.5575 8.5575 8.6675 8.6675 8.7430 8.7430 8.8155 8.8155 11.4924 11.4924 11.5582 11.5582 13.4782 13.4782 13.5823 13.5823 13.6626 13.6626 k = 0.4426 0.4426 0.1919 ( 5194 PWs) bands (ev): -0.8060 -0.8060 -0.7705 -0.7705 3.0364 3.0364 3.6092 3.6092 4.2180 4.2180 4.3632 4.3632 5.1044 5.1044 5.4864 5.4864 5.9478 5.9478 5.9969 5.9969 6.2030 6.2030 6.3225 6.3225 6.5803 6.5803 6.6061 6.6061 7.1930 7.1930 7.3810 7.3810 7.4997 7.4997 7.6913 7.6913 7.7287 7.7287 7.8377 7.8377 8.5209 8.5209 8.6673 8.6673 8.7488 8.7488 8.8455 8.8455 11.4877 11.4877 11.5762 11.5762 13.4345 13.4345 13.5223 13.5223 13.6409 13.6409 k = 0.4344 0.4344 0.1919 ( 5194 PWs) bands (ev): -0.8211 -0.8211 -0.7750 -0.7750 2.9243 2.9243 3.6288 3.6288 4.2015 4.2015 4.3816 4.3816 5.1394 5.1394 5.5939 5.5939 5.9428 5.9428 5.9979 5.9979 6.1995 6.1995 6.3546 6.3546 6.5848 6.5848 6.6164 6.6164 7.1610 7.1610 7.3543 7.3543 7.5020 7.5020 7.6919 7.6919 7.7372 7.7372 7.8860 7.8860 8.4805 8.4805 8.6668 8.6668 8.7556 8.7556 8.8784 8.8784 11.4809 11.4809 11.5942 11.5942 13.3920 13.3920 13.4612 13.4612 13.5704 13.5704 k = 0.4262 0.4262 0.1919 ( 5202 PWs) bands (ev): -0.8383 -0.8383 -0.7803 -0.7803 2.8100 2.8100 3.6509 3.6509 4.1863 4.1863 4.4024 4.4024 5.1755 5.1755 5.6944 5.6944 5.9413 5.9413 5.9994 5.9994 6.1950 6.1950 6.3926 6.3926 6.5908 6.5908 6.6280 6.6280 7.1333 7.1333 7.3256 7.3256 7.5045 7.5045 7.6916 7.6916 7.7466 7.7466 7.9357 7.9357 8.4372 8.4372 8.6661 8.6661 8.7635 8.7635 8.9133 8.9133 11.4724 11.4724 11.6110 11.6110 13.3507 13.3507 13.3997 13.3997 13.5074 13.5074 k = 0.4180 0.4180 0.1919 ( 5208 PWs) bands (ev): -0.8576 -0.8576 -0.7864 -0.7864 2.6947 2.6947 3.6756 3.6756 4.1728 4.1728 4.4256 4.4256 5.2118 5.2118 5.7803 5.7803 5.9462 5.9462 6.0022 6.0022 6.1895 6.1895 6.4368 6.4368 6.5987 6.5987 6.6412 6.6412 7.1119 7.1119 7.2950 7.2950 7.5074 7.5074 7.6908 7.6908 7.7569 7.7569 7.9860 7.9860 8.3916 8.3916 8.6651 8.6651 8.7725 8.7725 8.9497 8.9497 11.4627 11.4627 11.6254 11.6254 13.3107 13.3107 13.3384 13.3384 13.4532 13.4532 k = 0.4098 0.4098 0.1919 ( 5210 PWs) bands (ev): -0.8790 -0.8790 -0.7933 -0.7933 2.5791 2.5791 3.7029 3.7029 4.1615 4.1615 4.4512 4.4512 5.2478 5.2478 5.8408 5.8408 5.9618 5.9618 6.0092 6.0092 6.1827 6.1827 6.4860 6.4860 6.6095 6.6095 6.6565 6.6565 7.1000 7.1000 7.2632 7.2632 7.5107 7.5107 7.6897 7.6897 7.7682 7.7682 8.0367 8.0367 8.3447 8.3447 8.6639 8.6639 8.7826 8.7826 8.9867 8.9867 11.4524 11.4524 11.6361 11.6361 13.2699 13.2699 13.2793 13.2793 13.4090 13.4090 k = 0.4016 0.4016 0.1919 ( 5210 PWs) bands (ev): -0.9024 -0.9024 -0.8013 -0.8013 2.4639 2.4639 3.7328 3.7328 4.1528 4.1528 4.4790 4.4790 5.2829 5.2829 5.8716 5.8716 5.9804 5.9804 6.0304 6.0304 6.1748 6.1748 6.5342 6.5342 6.6247 6.6247 6.6750 6.6750 7.1021 7.1021 7.2305 7.2305 7.5144 7.5144 7.6884 7.6884 7.7804 7.7804 8.0873 8.0873 8.2972 8.2972 8.6625 8.6625 8.7937 8.7937 9.0238 9.0238 11.4427 11.4427 11.6422 11.6422 13.2135 13.2135 13.2374 13.2374 13.3757 13.3757 k = 0.3934 0.3934 0.1919 ( 5198 PWs) bands (ev): -0.9279 -0.9279 -0.8103 -0.8103 2.3495 2.3495 3.7652 3.7652 4.1468 4.1468 4.5092 4.5092 5.3164 5.3164 5.8855 5.8855 5.9887 5.9887 6.0661 6.0661 6.1658 6.1658 6.5718 6.5718 6.6450 6.6450 6.6991 6.6991 7.1238 7.1238 7.1987 7.1987 7.5186 7.5186 7.6870 7.6870 7.7934 7.7934 8.1365 8.1365 8.2508 8.2508 8.6609 8.6609 8.8059 8.8059 9.0602 9.0602 11.4346 11.4346 11.6428 11.6428 13.1523 13.1523 13.2018 13.2018 13.3536 13.3536 k = 0.3852 0.3852 0.1919 ( 5204 PWs) bands (ev): -0.9554 -0.9554 -0.8204 -0.8204 2.2362 2.2362 3.8002 3.8002 4.1439 4.1439 4.5417 4.5417 5.3477 5.3477 5.8939 5.8939 5.9921 5.9921 6.1008 6.1008 6.1558 6.1558 6.5956 6.5956 6.6658 6.6658 6.7277 6.7277 7.1473 7.1473 7.1923 7.1923 7.5233 7.5233 7.6855 7.6855 7.8072 7.8072 8.1731 8.1731 8.2171 8.2171 8.6592 8.6592 8.8190 8.8190 9.0952 9.0952 11.4294 11.4294 11.6378 11.6378 13.0910 13.0910 13.1680 13.1680 13.3423 13.3423 k = 0.3770 0.3770 0.1919 ( 5204 PWs) bands (ev): -0.9848 -0.9848 -0.8317 -0.8317 2.1245 2.1245 3.8377 3.8377 4.1441 4.1441 4.5763 4.5763 5.3762 5.3762 5.9014 5.9014 5.9941 5.9941 6.1293 6.1293 6.1451 6.1451 6.6108 6.6108 6.6836 6.6836 6.7550 6.7550 7.1206 7.1206 7.2656 7.2656 7.5284 7.5284 7.6841 7.6841 7.8216 7.8216 8.1466 8.1466 8.2469 8.2469 8.6574 8.6574 8.8331 8.8331 9.1282 9.1282 11.4280 11.4280 11.6271 11.6271 13.0297 13.0297 13.1357 13.1357 13.3408 13.3408 k = 0.3689 0.3689 0.1919 ( 5200 PWs) bands (ev): -1.0162 -1.0162 -0.8442 -0.8442 2.0146 2.0146 3.8777 3.8777 4.1475 4.1475 4.6132 4.6132 5.4012 5.4012 5.9092 5.9092 5.9955 5.9955 6.1343 6.1343 6.1513 6.1513 6.6211 6.6211 6.6996 6.6996 6.7783 6.7783 7.0867 7.0867 7.3709 7.3709 7.5342 7.5342 7.6827 7.6827 7.8367 7.8367 8.1038 8.1038 8.2939 8.2939 8.6555 8.6555 8.8481 8.8481 9.1586 9.1586 11.4316 11.4316 11.6114 11.6114 12.9686 12.9686 13.1048 13.1048 13.3470 13.3470 k = 0.3607 0.3607 0.1919 ( 5192 PWs) bands (ev): -1.0495 -1.0495 -0.8580 -0.8580 1.9066 1.9066 3.9203 3.9203 4.1542 4.1542 4.6522 4.6522 5.4217 5.4217 5.9180 5.9180 5.9969 5.9969 6.1239 6.1239 6.1679 6.1679 6.6278 6.6278 6.7155 6.7155 6.7994 6.7994 7.0523 7.0523 7.4937 7.4937 7.5420 7.5420 7.6815 7.6815 7.8522 7.8522 8.0617 8.0617 8.3412 8.3412 8.6537 8.6537 8.8640 8.8640 9.1860 9.1860 11.4410 11.4410 11.5916 11.5916 12.9077 12.9077 13.0754 13.0754 13.3582 13.3582 k = 0.3525 0.3525 0.1919 ( 5202 PWs) bands (ev): -1.0845 -1.0845 -0.8732 -0.8732 1.8007 1.8007 3.9653 3.9653 4.1641 4.1641 4.6933 4.6933 5.4372 5.4372 5.9275 5.9275 5.9982 5.9982 6.1147 6.1147 6.1803 6.1803 6.6317 6.6317 6.7326 6.7326 6.8202 6.8202 7.0184 7.0184 7.5444 7.5444 7.6340 7.6340 7.6810 7.6810 7.8677 7.8677 8.0225 8.0225 8.3872 8.3872 8.6520 8.6520 8.8807 8.8807 9.2100 9.2100 11.4568 11.4568 11.5688 11.5688 12.8469 12.8469 13.0472 13.0472 13.3712 13.3712 k = 0.3443 0.3443 0.1919 ( 5214 PWs) bands (ev): -1.1212 -1.1212 -0.8898 -0.8898 1.6971 1.6971 4.0129 4.0129 4.1770 4.1770 4.7365 4.7365 5.4467 5.4467 5.9371 5.9371 5.9997 5.9997 6.1075 6.1075 6.1900 6.1900 6.6339 6.6339 6.7512 6.7512 6.8420 6.8420 6.9855 6.9855 7.5517 7.5517 7.6789 7.6789 7.7790 7.7790 7.8824 7.8824 7.9883 7.9883 8.4313 8.4313 8.6504 8.6504 8.8981 8.8981 9.2303 9.2303 11.4795 11.4795 11.5444 11.5444 12.7863 12.7863 13.0203 13.0203 13.3825 13.3825 k = 0.3361 0.3361 0.1919 ( 5210 PWs) bands (ev): -1.1595 -1.1595 -0.9079 -0.9079 1.5960 1.5960 4.0629 4.0629 4.1928 4.1928 4.7816 4.7816 5.4497 5.4497 5.9460 5.9460 6.0014 6.0014 6.1031 6.1031 6.1988 6.1988 6.6355 6.6355 6.7710 6.7710 6.8649 6.8649 6.9545 6.9545 7.5587 7.5587 7.6787 7.6787 7.8901 7.8901 7.9238 7.9238 7.9697 7.9697 8.4729 8.4729 8.6493 8.6493 8.9162 8.9162 9.2469 9.2469 11.5077 11.5077 11.5214 11.5214 12.7256 12.7256 12.9946 12.9946 13.3888 13.3888 k = 0.3279 0.3279 0.1919 ( 5214 PWs) bands (ev): -1.1993 -1.1993 -0.9274 -0.9274 1.4973 1.4973 4.1154 4.1154 4.2113 4.2113 4.8288 4.8288 5.4458 5.4458 5.9529 5.9529 6.0035 6.0035 6.1023 6.1023 6.2084 6.2084 6.6374 6.6374 6.7907 6.7907 6.8880 6.8880 6.9273 6.9273 7.5657 7.5657 7.6788 7.6788 7.8869 7.8869 7.9497 7.9497 8.0890 8.0890 8.5115 8.5115 8.6487 8.6487 8.9349 8.9349 9.2598 9.2598 11.4940 11.4940 11.5479 11.5479 12.6648 12.6648 12.9699 12.9699 13.3881 13.3881 k = 0.3197 0.3197 0.1919 ( 5210 PWs) bands (ev): -1.2405 -1.2405 -0.9485 -0.9485 1.4014 1.4014 4.1703 4.1703 4.2321 4.2321 4.8778 4.8778 5.4351 5.4351 5.9566 5.9566 6.0055 6.0055 6.1056 6.1056 6.2208 6.2208 6.6400 6.6400 6.8074 6.8074 6.8975 6.8975 6.9206 6.9206 7.5725 7.5725 7.6796 7.6796 7.8694 7.8694 7.9610 7.9610 8.2435 8.2435 8.5467 8.5467 8.6492 8.6492 8.9542 8.9542 9.2692 9.2692 11.4715 11.4715 11.5921 11.5921 12.6037 12.6037 12.9462 12.9462 13.3801 13.3801 k = 0.3115 0.3115 0.1919 ( 5212 PWs) bands (ev): -1.2828 -1.2828 -0.9711 -0.9711 1.3081 1.3081 4.2275 4.2275 4.2547 4.2547 4.9287 4.9287 5.4182 5.4182 5.9563 5.9563 6.0072 6.0072 6.1132 6.1132 6.2379 6.2379 6.6435 6.6435 6.8141 6.8141 6.8899 6.8899 6.9444 6.9444 7.5790 7.5790 7.6812 7.6812 7.8497 7.8497 7.9786 7.9786 8.3975 8.3975 8.5794 8.5794 8.6516 8.6516 8.9740 8.9740 9.2756 9.2756 11.4511 11.4511 11.6433 11.6433 12.5422 12.5422 12.9234 12.9234 13.3661 13.3661 k = 0.3033 0.3033 0.1919 ( 5210 PWs) bands (ev): -1.3263 -1.3263 -0.9952 -0.9952 1.2177 1.2177 4.2784 4.2784 4.2875 4.2875 4.9814 4.9814 5.3959 5.3959 5.9519 5.9519 6.0082 6.0082 6.1250 6.1250 6.2606 6.2606 6.6475 6.6475 6.8055 6.8055 6.8975 6.8975 6.9717 6.9717 7.5851 7.5851 7.6839 7.6839 7.8326 7.8326 7.9987 7.9987 8.5331 8.5331 8.6244 8.6244 8.6571 8.6571 8.9941 8.9941 9.2792 9.2792 11.4337 11.4337 11.7008 11.7008 12.4801 12.4801 12.9013 12.9013 13.3487 13.3487 k = 0.2951 0.2951 0.1919 ( 5198 PWs) bands (ev): -1.3707 -1.3707 -1.0208 -1.0208 1.1301 1.1301 4.3031 4.3031 4.3494 4.3494 5.0357 5.0357 5.3695 5.3695 5.9433 5.9433 6.0085 6.0085 6.1406 6.1406 6.2893 6.2893 6.6513 6.6513 6.7894 6.7894 6.9150 6.9150 7.0003 7.0003 7.5904 7.5904 7.6878 7.6878 7.8197 7.8197 8.0204 8.0204 8.5872 8.5872 8.6657 8.6657 8.7435 8.7435 9.0146 9.0146 9.2807 9.2807 11.4196 11.4196 11.7640 11.7640 12.4173 12.4173 12.8799 12.8799 13.3308 13.3308 k = 0.2869 0.2869 0.1919 ( 5210 PWs) bands (ev): -1.4160 -1.4160 -1.0479 -1.0479 1.0454 1.0454 4.3274 4.3274 4.4139 4.4139 5.0918 5.0918 5.3405 5.3405 5.9310 5.9310 6.0086 6.0086 6.1595 6.1595 6.3237 6.3237 6.6536 6.6536 6.7736 6.7736 6.9354 6.9354 7.0297 7.0297 7.5948 7.5948 7.6931 7.6931 7.8115 7.8115 8.0433 8.0433 8.6006 8.6006 8.6764 8.6764 8.8960 8.8960 9.0352 9.0352 9.2805 9.2805 11.4089 11.4089 11.8324 11.8324 12.3535 12.3535 12.8590 12.8590 13.3153 13.3153 k = 0.2787 0.2787 0.1919 ( 5206 PWs) bands (ev): -1.4618 -1.4618 -1.0764 -1.0764 0.9637 0.9637 4.3504 4.3504 4.4806 4.4806 5.1493 5.1493 5.3108 5.3108 5.9156 5.9156 6.0086 6.0086 6.1812 6.1812 6.3632 6.3632 6.6524 6.6524 6.7625 6.7625 6.9560 6.9560 7.0600 7.0600 7.5983 7.5983 7.6999 7.6999 7.8084 7.8084 8.0671 8.0671 8.6055 8.6055 8.6860 8.6860 9.0503 9.0503 9.0580 9.0580 9.2794 9.2794 11.4015 11.4015 11.9051 11.9051 12.2886 12.2886 12.8384 12.8384 13.3046 13.3046 k = 0.2705 0.2705 0.1919 ( 5210 PWs) bands (ev): -1.5082 -1.5082 -1.1063 -1.1063 0.8849 0.8849 4.3708 4.3708 4.5497 4.5497 5.2083 5.2083 5.2822 5.2822 5.8979 5.8979 6.0086 6.0086 6.2052 6.2052 6.4069 6.4069 6.6460 6.6460 6.7590 6.7590 6.9757 6.9757 7.0909 7.0909 7.6008 7.6008 7.7081 7.7081 7.8106 7.8106 8.0919 8.0919 8.6072 8.6072 8.6927 8.6927 9.0764 9.0764 9.2081 9.2081 9.2787 9.2787 11.3971 11.3971 11.9811 11.9811 12.2229 12.2229 12.8180 12.8180 13.3010 13.3010 k = 0.2623 0.2623 0.1919 ( 5196 PWs) bands (ev): -1.5549 -1.5549 -1.1375 -1.1375 0.8092 0.8092 4.3871 4.3871 4.6210 4.6210 5.2563 5.2563 5.2691 5.2691 5.8785 5.8785 6.0086 6.0086 6.2312 6.2312 6.4539 6.4539 6.6345 6.6345 6.7634 6.7634 6.9939 6.9939 7.1225 7.1225 7.6026 7.6026 7.7176 7.7176 7.8180 7.8180 8.1176 8.1176 8.6072 8.6072 8.6954 8.6954 9.0970 9.0970 9.2743 9.2743 9.3664 9.3664 11.3952 11.3952 12.0574 12.0574 12.1584 12.1584 12.7977 12.7977 13.3059 13.3059 k = 0.2541 0.2541 0.1919 ( 5200 PWs) bands (ev): -1.6019 -1.6019 -1.1698 -1.1698 0.7364 0.7364 4.3978 4.3978 4.6945 4.6945 5.2359 5.2359 5.3306 5.3306 5.8580 5.8580 6.0087 6.0087 6.2589 6.2589 6.5028 6.5028 6.6201 6.6201 6.7748 6.7748 7.0104 7.0104 7.1545 7.1545 7.6038 7.6038 7.7282 7.7282 7.8302 7.8302 8.1442 8.1442 8.6063 8.6063 8.6939 8.6939 9.1172 9.1172 9.2740 9.2740 9.5196 9.5196 11.3954 11.3954 12.0740 12.0740 12.1543 12.1543 12.7773 12.7773 13.3207 13.3207 k = 0.2459 0.2459 0.1919 ( 5196 PWs) bands (ev): -1.6488 -1.6488 -1.2032 -1.2032 0.6666 0.6666 4.4015 4.4015 4.7703 4.7703 5.2223 5.2223 5.3934 5.3934 5.8368 5.8368 6.0089 6.0089 6.2879 6.2879 6.5502 6.5502 6.6064 6.6064 6.7922 6.7922 7.0253 7.0253 7.1868 7.1868 7.6047 7.6047 7.7398 7.7398 7.8468 7.8468 8.1717 8.1717 8.6047 8.6047 8.6884 8.6884 9.1370 9.1370 9.2744 9.2744 9.6714 9.6714 11.3970 11.3970 12.0076 12.0076 12.2331 12.2331 12.7569 12.7569 13.3461 13.3461 k = 0.2377 0.2377 0.1919 ( 5196 PWs) bands (ev): -1.6957 -1.6957 -1.2376 -1.2376 0.5998 0.5998 4.3970 4.3970 4.8482 4.8482 5.2167 5.2167 5.4573 5.4573 5.8154 5.8154 6.0090 6.0090 6.3179 6.3179 6.5723 6.5723 6.6167 6.6167 6.8160 6.8160 7.0389 7.0389 7.2192 7.2192 7.6056 7.6056 7.7521 7.7521 7.8671 7.8671 8.2000 8.2000 8.6022 8.6022 8.6792 8.6792 9.1561 9.1561 9.2766 9.2766 9.8212 9.8212 11.3997 11.3997 11.9346 11.9346 12.3173 12.3173 12.7362 12.7362 13.3820 13.3820 k = 0.2295 0.2295 0.1919 ( 5200 PWs) bands (ev): -1.7424 -1.7424 -1.2727 -1.2727 0.5358 0.5358 4.3841 4.3841 4.9282 4.9282 5.2199 5.2199 5.5219 5.5219 5.7942 5.7942 6.0092 6.0092 6.3483 6.3483 6.5603 6.5603 6.6582 6.6582 6.8475 6.8475 7.0517 7.0517 7.2515 7.2515 7.6069 7.6069 7.7650 7.7650 7.8905 7.8905 8.2291 8.2291 8.5983 8.5983 8.6672 8.6672 9.1744 9.1744 9.2811 9.2811 9.9684 9.9684 11.4032 11.4032 11.8589 11.8589 12.4023 12.4023 12.7155 12.7155 13.4280 13.4280 k = 0.2213 0.2213 0.1919 ( 5204 PWs) bands (ev): -1.7886 -1.7886 -1.3085 -1.3085 0.4748 0.4748 4.3630 4.3630 5.0104 5.0104 5.2316 5.2316 5.5869 5.5869 5.7738 5.7738 6.0094 6.0094 6.3786 6.3786 6.5444 6.5444 6.6992 6.6992 6.8881 6.8881 7.0643 7.0643 7.2833 7.2833 7.6087 7.6087 7.7784 7.7784 7.9160 7.9160 8.2589 8.2589 8.5920 8.5920 8.6539 8.6539 9.1917 9.1917 9.2887 9.2887 10.1130 10.1130 11.4075 11.4075 11.7809 11.7809 12.4863 12.4863 12.6951 12.6951 13.4848 13.4889 k = 0.2131 0.2131 0.1919 ( 5204 PWs) bands (ev): -1.8344 -1.8344 -1.3449 -1.3449 0.4166 0.4166 4.3345 4.3345 5.0945 5.0945 5.2511 5.2511 5.6504 5.6504 5.7557 5.7557 6.0095 6.0095 6.4075 6.4075 6.5297 6.5297 6.7348 6.7348 6.9378 6.9378 7.0778 7.0778 7.3142 7.3142 7.6116 7.6116 7.7920 7.7920 7.9428 7.9428 8.2894 8.2894 8.5812 8.5812 8.6417 8.6417 9.2078 9.2078 9.2997 9.2997 10.2546 10.2546 11.4127 11.4127 11.7007 11.7007 12.5663 12.5663 12.6770 12.6770 13.4162 13.4162 k = 0.2049 0.2049 0.1919 ( 5204 PWs) bands (ev): -1.8795 -1.8795 -1.3815 -1.3815 0.3611 0.3611 4.3000 4.3000 5.1807 5.1807 5.2771 5.2771 5.6996 5.6996 5.7531 5.7531 6.0098 6.0098 6.4322 6.4322 6.5188 6.5188 6.7656 6.7656 6.9946 6.9946 7.0937 7.0937 7.3437 7.3437 7.6160 7.6160 7.8060 7.8060 7.9701 7.9701 8.3205 8.3205 8.5645 8.5645 8.6326 8.6326 9.2226 9.2226 9.3146 9.3146 10.3929 10.3929 11.4191 11.4191 11.6187 11.6187 12.6218 12.6218 12.6806 12.6806 13.3397 13.3397 k = 0.1967 0.1967 0.1919 ( 5196 PWs) bands (ev): -1.9238 -1.9238 -1.4184 -1.4184 0.3084 0.3084 4.2609 4.2609 5.2687 5.2687 5.3082 5.3082 5.6994 5.6994 5.8008 5.8008 6.0102 6.0102 6.4466 6.4466 6.5175 6.5175 6.7929 6.7929 7.0534 7.0534 7.1156 7.1156 7.3712 7.3712 7.6226 7.6226 7.8200 7.8200 7.9970 7.9970 8.3519 8.3519 8.5420 8.5420 8.6268 8.6268 9.2359 9.2359 9.3339 9.3339 10.5273 10.5273 11.4269 11.4269 11.5357 11.5357 12.6164 12.6164 12.7406 12.7406 13.2608 13.2608 k = 0.1885 0.1885 0.1919 ( 5184 PWs) bands (ev): -1.9672 -1.9672 -1.4552 -1.4552 0.2584 0.2584 4.2183 4.2183 5.3429 5.3429 5.3590 5.3590 5.6832 5.6832 5.8650 5.8650 6.0110 6.0110 6.4460 6.4460 6.5301 6.5301 6.8181 6.8181 7.1015 7.1015 7.1552 7.1552 7.3958 7.3958 7.6322 7.6322 7.8342 7.8342 8.0229 8.0229 8.3835 8.3835 8.5152 8.5152 8.6235 8.6235 9.2474 9.2474 9.3579 9.3579 10.6571 10.6571 11.4266 11.4266 11.4626 11.4626 12.5967 12.5967 12.8082 12.8082 13.1810 13.1810 k = 0.1803 0.1803 0.1919 ( 5180 PWs) bands (ev): -2.0096 -2.0096 -1.4918 -1.4918 0.2109 0.2109 4.1735 4.1735 5.3808 5.3808 5.4504 5.4504 5.6655 5.6655 5.9300 5.9300 6.0136 6.0136 6.4364 6.4364 6.5499 6.5499 6.8421 6.8421 7.1338 7.1338 7.2170 7.2170 7.4169 7.4169 7.6453 7.6453 7.8482 7.8482 8.0470 8.0470 8.4146 8.4146 8.4860 8.4860 8.6215 8.6215 9.2567 9.2567 9.3870 9.3870 10.7811 10.7811 11.3563 11.3563 11.4634 11.4634 12.5752 12.5752 12.8678 12.8678 13.1015 13.1015 k = 0.1721 0.1721 0.1919 ( 5182 PWs) bands (ev): -2.0509 -2.0509 -1.5281 -1.5281 0.1660 0.1660 4.1274 4.1274 5.4203 5.4203 5.5435 5.5435 5.6481 5.6481 5.9843 5.9843 6.0277 6.0277 6.4237 6.4237 6.5706 6.5706 6.8655 6.8655 7.1639 7.1639 7.2871 7.2871 7.4337 7.4337 7.6625 7.6625 7.8621 7.8621 8.0690 8.0690 8.4388 8.4388 8.4615 8.4615 8.6204 8.6204 9.2637 9.2637 9.4213 9.4213 10.8977 10.8977 11.2698 11.2698 11.4867 11.4867 12.5535 12.5535 12.9119 12.9119 13.0250 13.0250 k = 0.1639 0.1639 0.1919 ( 5186 PWs) bands (ev): -2.0909 -2.0909 -1.5639 -1.5639 0.1235 0.1235 4.0807 4.0807 5.4607 5.4607 5.6247 5.6247 5.6448 5.6448 6.0007 6.0007 6.0797 6.0797 6.4101 6.4101 6.5896 6.5896 6.8883 6.8883 7.1972 7.1972 7.3594 7.3594 7.4463 7.4463 7.6839 7.6839 7.8759 7.8759 8.0886 8.0886 8.4169 8.4169 8.4813 8.4813 8.6197 8.6197 9.2681 9.2681 9.4609 9.4609 11.0044 11.0044 11.1820 11.1820 11.5209 11.5209 12.5322 12.5322 12.9146 12.9146 12.9735 12.9735 k = 0.1557 0.1557 0.1919 ( 5186 PWs) bands (ev): -2.1296 -2.1296 -1.5990 -1.5990 0.0835 0.0835 4.0341 4.0341 5.5015 5.5015 5.6130 5.6130 5.7365 5.7365 6.0038 6.0038 6.1450 6.1450 6.3966 6.3966 6.6058 6.6058 6.9108 6.9108 7.2351 7.2351 7.4316 7.4316 7.4549 7.4549 7.7091 7.7091 7.8894 7.8894 8.1054 8.1054 8.3842 8.3842 8.5103 8.5103 8.6195 8.6195 9.2696 9.2696 9.5056 9.5056 11.0892 11.0892 11.1038 11.1038 11.5682 11.5682 12.5116 12.5116 12.8507 12.8507 12.9705 12.9705 k = 0.1475 0.1475 0.1919 ( 5194 PWs) bands (ev): -2.1669 -2.1669 -1.6332 -1.6332 0.0458 0.0458 3.9881 3.9881 5.5420 5.5420 5.5978 5.5978 5.8337 5.8337 6.0054 6.0054 6.2115 6.2115 6.3836 6.3836 6.6189 6.6189 6.9331 6.9331 7.2780 7.2780 7.4601 7.4601 7.5025 7.5025 7.7376 7.7376 7.9027 7.9027 8.1197 8.1197 8.3513 8.3513 8.5385 8.5385 8.6195 8.6195 9.2680 9.2680 9.5551 9.5551 11.0070 11.0070 11.1795 11.1795 11.6302 11.6302 12.4922 12.4922 12.7755 12.7755 12.9619 12.9619 k = 0.1393 0.1393 0.1919 ( 5190 PWs) bands (ev): -2.2027 -2.2027 -1.6664 -1.6664 0.0104 0.0104 3.9432 3.9432 5.5774 5.5774 5.5878 5.5878 5.9297 5.9297 6.0091 6.0091 6.2766 6.2766 6.3724 6.3724 6.6290 6.6290 6.9553 6.9553 7.3255 7.3255 7.4625 7.4625 7.5704 7.5704 7.7685 7.7685 7.9158 7.9158 8.1312 8.1312 8.3195 8.3195 8.5645 8.5645 8.6196 8.6196 9.2632 9.2632 9.6091 9.6091 10.9226 10.9226 11.2464 11.2464 11.7061 11.7061 12.4743 12.4743 12.7001 12.7001 12.9393 12.9393 k = 0.1311 0.1311 0.1919 ( 5198 PWs) bands (ev): -2.2368 -2.2368 -1.6985 -1.6985 -0.0228 -0.0228 3.8996 3.8996 5.5679 5.5679 5.6227 5.6227 5.9917 5.9917 6.0481 6.0481 6.3305 6.3305 6.3720 6.3720 6.6364 6.6364 6.9776 6.9776 7.3769 7.3769 7.4627 7.4627 7.6339 7.6339 7.8013 7.8013 7.9288 7.9288 8.1404 8.1404 8.2900 8.2900 8.5876 8.5876 8.6199 8.6199 9.2550 9.2550 9.6670 9.6670 10.8411 10.8411 11.3031 11.3031 11.7924 11.7924 12.4579 12.4579 12.6260 12.6260 12.8804 12.8804 k = 0.1230 0.1230 0.1919 ( 5194 PWs) bands (ev): -2.2693 -2.2693 -1.7293 -1.7293 -0.0537 -0.0537 3.8577 3.8577 5.5549 5.5549 5.6609 5.6609 5.9984 5.9984 6.1434 6.1434 6.3371 6.3371 6.4184 6.4184 6.6415 6.6415 7.0001 7.0001 7.4314 7.4314 7.4613 7.4613 7.6909 7.6909 7.8351 7.8351 7.9420 7.9420 8.1474 8.1474 8.2646 8.2646 8.6066 8.6066 8.6202 8.6202 9.2433 9.2433 9.7283 9.7283 10.7640 10.7640 11.3537 11.3537 11.8849 11.8849 12.4432 12.4432 12.5539 12.5539 12.7642 12.7642 k = 0.1148 0.1148 0.1919 ( 5192 PWs) bands (ev): -2.3000 -2.3000 -1.7587 -1.7587 -0.0825 -0.0825 3.8176 3.8176 5.5426 5.5426 5.6979 5.6979 5.9994 5.9994 6.2454 6.2454 6.3283 6.3283 6.4791 6.4791 6.6450 6.6450 7.0230 7.0230 7.4577 7.4577 7.4888 7.4888 7.7388 7.7388 7.8692 7.8692 7.9559 7.9559 8.1525 8.1525 8.2454 8.2454 8.6204 8.6204 8.6206 8.6206 9.2283 9.2283 9.7923 9.7923 10.6926 10.6926 11.4018 11.4018 11.9792 11.9792 12.4290 12.4290 12.4855 12.4855 12.6429 12.6429 k = 0.1066 0.1066 0.1919 ( 5186 PWs) bands (ev): -2.3289 -2.3289 -1.7866 -1.7866 -0.1092 -0.1092 3.7797 3.7797 5.5311 5.5311 5.7335 5.7335 5.9995 5.9995 6.3178 6.3178 6.3495 6.3495 6.5384 6.5384 6.6483 6.6483 7.0463 7.0463 7.4536 7.4536 7.5469 7.5469 7.7746 7.7746 7.9018 7.9018 7.9721 7.9721 8.1561 8.1561 8.2349 8.2349 8.6205 8.6205 8.6285 8.6285 9.2098 9.2098 9.8583 9.8583 10.6282 10.6282 11.4499 11.4499 12.0719 12.0719 12.4023 12.4023 12.4338 12.4338 12.5230 12.5230 k = 0.0984 0.0984 0.1919 ( 5198 PWs) bands (ev): -2.3559 -2.3559 -1.8129 -1.8129 -0.1338 -0.1338 3.7441 3.7441 5.5204 5.5204 5.7675 5.7675 5.9993 5.9993 6.3081 6.3081 6.4540 6.4540 6.5900 6.5900 6.6563 6.6563 7.0702 7.0702 7.4483 7.4483 7.6054 7.6054 7.7961 7.7961 7.9302 7.9302 7.9931 7.9931 8.1583 8.1583 8.2352 8.2352 8.6203 8.6203 8.6290 8.6290 9.1882 9.1882 9.9255 9.9255 10.5723 10.5723 11.4996 11.4996 12.1602 12.1602 12.3441 12.3441 12.3978 12.3978 12.4261 12.4261 k = 0.0902 0.0902 0.1919 ( 5202 PWs) bands (ev): -2.3810 -2.3810 -1.8374 -1.8374 -0.1563 -0.1563 3.7108 3.7108 5.5107 5.5107 5.7997 5.7997 5.9991 5.9991 6.2987 6.2987 6.5591 6.5591 6.6178 6.6178 6.6850 6.6850 7.0945 7.0945 7.4420 7.4420 7.6633 7.6633 7.8028 7.8028 7.9521 7.9521 8.0208 8.0208 8.1594 8.1594 8.2469 8.2469 8.6187 8.6187 8.6222 8.6222 9.1636 9.1636 9.9929 9.9929 10.5263 10.5263 11.5519 11.5519 12.2396 12.2396 12.2792 12.2792 12.2923 12.2923 12.4155 12.4155 k = 0.0820 0.0820 0.1919 ( 5202 PWs) bands (ev): -2.4040 -2.4040 -1.8600 -1.8600 -0.1768 -0.1768 3.6802 3.6802 5.5018 5.5018 5.8300 5.8300 5.9988 5.9988 6.2900 6.2900 6.6228 6.6228 6.6648 6.6648 6.7329 6.7329 7.1194 7.1194 7.4349 7.4349 7.7195 7.7195 7.7968 7.7968 7.9680 7.9680 8.0544 8.0544 8.1597 8.1597 8.2682 8.2682 8.6034 8.6034 8.6192 8.6192 9.1363 9.1363 10.0595 10.0595 10.4912 10.4912 11.6074 11.6074 12.1706 12.1706 12.2252 12.2252 12.3171 12.3171 12.4124 12.4124 k = 0.0738 0.0738 0.1919 ( 5206 PWs) bands (ev): -2.4250 -2.4250 -1.8808 -1.8808 -0.1953 -0.1953 3.6521 3.6521 5.4937 5.4937 5.8582 5.8582 5.9986 5.9986 6.2819 6.2819 6.6214 6.6214 6.7698 6.7698 6.7840 6.7840 7.1445 7.1445 7.4271 7.4271 7.7671 7.7671 7.7871 7.7871 7.9801 7.9801 8.0913 8.0913 8.1596 8.1596 8.2956 8.2956 8.5768 8.5768 8.6173 8.6173 9.1070 9.1070 10.1243 10.1243 10.4678 10.4678 11.6662 11.6662 12.0623 12.0623 12.1702 12.1702 12.3758 12.3758 12.4150 12.4150 k = 0.0656 0.0656 0.1919 ( 5206 PWs) bands (ev): -2.4440 -2.4440 -1.8996 -1.8996 -0.2118 -0.2118 3.6268 3.6268 5.4865 5.4865 5.8841 5.8841 5.9986 5.9986 6.2745 6.2745 6.6179 6.6179 6.8338 6.8338 6.8743 6.8743 7.1699 7.1699 7.4188 7.4188 7.7550 7.7550 7.8274 7.8274 7.9897 7.9897 8.1290 8.1290 8.1604 8.1604 8.3257 8.3257 8.5406 8.5406 8.6144 8.6144 9.0762 9.0762 10.1856 10.1856 10.4566 10.4566 11.7281 11.7281 11.9581 11.9581 12.1193 12.1193 12.4007 12.4007 12.4414 12.4414 k = 0.0574 0.0574 0.1919 ( 5214 PWs) bands (ev): -2.4607 -2.4607 -1.9163 -1.9163 -0.2263 -0.2263 3.6043 3.6043 5.4802 5.4802 5.9074 5.9074 5.9988 5.9988 6.2678 6.2678 6.6136 6.6136 6.8808 6.8808 6.9772 6.9772 7.1951 7.1951 7.4103 7.4103 7.7286 7.7286 7.8736 7.8736 7.9975 7.9975 8.1529 8.1529 8.1763 8.1763 8.3559 8.3559 8.4956 8.4956 8.6101 8.6101 9.0448 9.0448 10.2419 10.2419 10.4573 10.4573 11.7917 11.7917 11.8605 11.8605 12.0730 12.0730 12.4037 12.4037 12.4765 12.4765 k = 0.0492 0.0492 0.1919 ( 5214 PWs) bands (ev): -2.4753 -2.4753 -1.9309 -1.9309 -0.2389 -0.2389 3.5847 3.5847 5.4748 5.4748 5.9279 5.9279 5.9993 5.9993 6.2619 6.2619 6.6090 6.6090 6.9243 6.9243 7.0779 7.0779 7.2196 7.2196 7.4021 7.4021 7.6996 7.6996 7.9153 7.9153 8.0040 8.0040 8.1553 8.1553 8.2145 8.2145 8.3840 8.3840 8.4433 8.4433 8.6041 8.6041 9.0137 9.0137 10.2916 10.2916 10.4693 10.4693 11.7651 11.7651 11.8616 11.8616 12.0322 12.0322 12.4027 12.4027 12.4707 12.4707 k = 0.0410 0.0410 0.1919 ( 5218 PWs) bands (ev): -2.4877 -2.4877 -1.9433 -1.9433 -0.2495 -0.2495 3.5681 3.5681 5.4702 5.4702 5.9451 5.9451 6.0004 6.0004 6.2568 6.2568 6.6045 6.6045 6.9637 6.9637 7.1747 7.1747 7.2424 7.2424 7.3951 7.3951 7.6697 7.6697 7.9513 7.9513 8.0094 8.0094 8.1560 8.1560 8.2548 8.2548 8.3848 8.3848 8.4098 8.4098 8.5960 8.5960 8.9840 8.9840 10.3335 10.3335 10.4903 10.4903 11.6818 11.6818 11.9260 11.9260 11.9996 11.9996 12.3950 12.3950 12.4411 12.4411 k = 0.0328 0.0328 0.1919 ( 5214 PWs) bands (ev): -2.4979 -2.4979 -1.9535 -1.9535 -0.2582 -0.2582 3.5544 3.5544 5.4664 5.4664 5.9587 5.9587 6.0023 6.0023 6.2524 6.2524 6.6004 6.6004 6.9984 6.9984 7.2614 7.2614 7.2662 7.2662 7.3907 7.3907 7.6403 7.6403 7.9809 7.9809 8.0137 8.0137 8.1570 8.1570 8.2933 8.2933 8.3264 8.3264 8.4299 8.4299 8.5855 8.5855 8.9572 8.9572 10.3679 10.3679 10.5165 10.5165 11.6080 11.6080 11.9530 11.9530 12.0107 12.0107 12.3753 12.3753 12.4258 12.4258 k = 0.0246 0.0246 0.1919 ( 5214 PWs) bands (ev): -2.5059 -2.5059 -1.9615 -1.9615 -0.2649 -0.2649 3.5437 3.5437 5.4635 5.4635 5.9682 5.9682 6.0051 6.0051 6.2490 6.2490 6.5969 6.5969 7.0273 7.0273 7.2763 7.2763 7.3476 7.3476 7.3905 7.3905 7.6128 7.6128 8.0038 8.0038 8.0170 8.0170 8.1586 8.1586 8.2640 8.2640 8.3353 8.3353 8.4449 8.4449 8.5729 8.5729 8.9346 8.9346 10.3953 10.3953 10.5431 10.5431 11.5463 11.5463 11.9343 11.9343 12.0715 12.0715 12.3514 12.3514 12.4173 12.4173 k = 0.0164 0.0164 0.1919 ( 5220 PWs) bands (ev): -2.5116 -2.5116 -1.9673 -1.9673 -0.2697 -0.2697 3.5360 3.5360 5.4614 5.4614 5.9740 5.9740 6.0082 6.0082 6.2465 6.2465 6.5943 6.5943 7.0495 7.0495 7.2845 7.2845 7.3944 7.3944 7.4154 7.4154 7.5893 7.5893 8.0192 8.0192 8.0199 8.0199 8.1602 8.1602 8.2127 8.2127 8.3703 8.3703 8.4533 8.4533 8.5595 8.5595 8.9175 8.9175 10.4158 10.4158 10.5655 10.5655 11.4994 11.4994 11.9175 11.9175 12.1308 12.1308 12.3314 12.3314 12.4066 12.4066 k = 0.0082 0.0082 0.1919 ( 5212 PWs) bands (ev): -2.5150 -2.5150 -1.9707 -1.9707 -0.2726 -0.2726 3.5314 3.5314 5.4602 5.4602 5.9769 5.9769 6.0107 6.0107 6.2450 6.2450 6.5927 6.5927 7.0635 7.0635 7.2878 7.2878 7.4004 7.4004 7.4614 7.4614 7.5726 7.5726 8.0208 8.0208 8.0291 8.0291 8.1612 8.1612 8.1764 8.1764 8.3994 8.3994 8.4538 8.4538 8.5485 8.5485 8.9068 8.9068 10.4287 10.4287 10.5805 10.5805 11.4699 11.4699 11.9070 11.9070 12.1774 12.1774 12.3182 12.3182 12.3927 12.3927 k = 0.0000 0.0000 0.1919 ( 5216 PWs) bands (ev): -2.5161 -2.5161 -1.9719 -1.9719 -0.2736 -0.2736 3.5299 3.5299 5.4598 5.4598 5.9778 5.9778 6.0117 6.0117 6.2444 6.2444 6.5921 6.5921 7.0684 7.0684 7.2885 7.2885 7.4032 7.4032 7.4780 7.4780 7.5664 7.5664 8.0212 8.0212 8.0321 8.0321 8.1594 8.1594 8.1652 8.1652 8.4130 8.4130 8.4509 8.4509 8.5442 8.5442 8.9032 8.9032 10.4331 10.4331 10.5857 10.5857 11.4597 11.4597 11.9034 11.9034 12.1964 12.1964 12.3133 12.3133 12.3851 12.3851 k = 0.0000 0.5000-0.0000 ( 5240 PWs) bands (ev): -1.1790 -1.1790 -1.1790 -1.1790 1.7671 1.7671 1.7671 1.7671 4.0696 4.0696 4.0696 4.0696 6.0834 6.0834 6.0834 6.0834 6.4127 6.4127 6.4127 6.4127 6.8674 6.8674 6.8674 6.8674 7.0826 7.0826 7.0826 7.0826 7.4324 7.4324 7.4324 7.4324 8.2981 8.2981 8.2981 8.2981 8.5520 8.5520 8.5520 8.5520 8.6630 8.6630 8.6630 8.6630 10.2225 10.2225 10.2225 10.2225 10.8312 10.8312 10.8312 10.8312 13.1399 13.1399 13.1399 13.1399 13.4266 13.4266 k = 0.0000 0.5000 0.0113 ( 5242 PWs) bands (ev): -1.1790 -1.1790 -1.1790 -1.1790 1.7667 1.7667 1.7667 1.7667 4.0714 4.0714 4.0714 4.0714 6.0818 6.0818 6.0818 6.0818 6.4127 6.4127 6.4127 6.4127 6.8680 6.8680 6.8680 6.8680 7.0827 7.0827 7.0827 7.0827 7.4323 7.4323 7.4323 7.4323 8.2711 8.2711 8.2711 8.2711 8.5802 8.5802 8.5802 8.5802 8.6627 8.6627 8.6627 8.6627 10.2238 10.2238 10.2238 10.2238 10.8314 10.8314 10.8314 10.8314 13.1400 13.1400 13.1400 13.1400 13.4221 13.4221 k = 0.0000 0.5000 0.0226 ( 5242 PWs) bands (ev): -1.1789 -1.1789 -1.1789 -1.1789 1.7654 1.7654 1.7654 1.7654 4.0766 4.0766 4.0766 4.0766 6.0772 6.0772 6.0772 6.0772 6.4125 6.4125 6.4125 6.4125 6.8698 6.8698 6.8698 6.8698 7.0831 7.0831 7.0831 7.0831 7.4320 7.4320 7.4320 7.4320 8.2106 8.2106 8.2106 8.2106 8.6420 8.6420 8.6420 8.6420 8.6639 8.6639 8.6639 8.6639 10.2276 10.2276 10.2276 10.2276 10.8318 10.8318 10.8318 10.8318 13.1405 13.1405 13.1405 13.1405 13.4085 13.4085 k = 0.0000 0.5000 0.0339 ( 5242 PWs) bands (ev): -1.1787 -1.1787 -1.1787 -1.1787 1.7633 1.7633 1.7633 1.7633 4.0851 4.0851 4.0851 4.0851 6.0697 6.0697 6.0697 6.0697 6.4123 6.4123 6.4123 6.4123 6.8727 6.8727 6.8727 6.8727 7.0838 7.0838 7.0838 7.0838 7.4315 7.4315 7.4315 7.4315 8.1393 8.1393 8.1393 8.1393 8.6573 8.6573 8.6573 8.6573 8.7240 8.7240 8.7240 8.7240 10.2339 10.2339 10.2339 10.2339 10.8326 10.8326 10.8326 10.8326 13.1412 13.1412 13.1412 13.1412 13.3865 13.3865 k = 0.0000 0.5000 0.0452 ( 5238 PWs) bands (ev): -1.1786 -1.1786 -1.1786 -1.1786 1.7604 1.7604 1.7604 1.7604 4.0967 4.0967 4.0967 4.0967 6.0593 6.0593 6.0593 6.0593 6.4121 6.4121 6.4121 6.4121 6.8767 6.8767 6.8767 6.8767 7.0847 7.0847 7.0847 7.0847 7.4308 7.4308 7.4308 7.4308 8.0658 8.0658 8.0658 8.0658 8.6547 8.6547 8.6547 8.6547 8.8059 8.8059 8.8059 8.8059 10.2423 10.2423 10.2423 10.2423 10.8337 10.8337 10.8337 10.8337 13.1420 13.1420 13.1420 13.1420 13.3571 13.3571 k = 0.0000 0.5000 0.0564 ( 5230 PWs) bands (ev): -1.1783 -1.1783 -1.1783 -1.1783 1.7570 1.7570 1.7570 1.7570 4.1110 4.1110 4.1110 4.1110 6.0463 6.0463 6.0463 6.0463 6.4119 6.4119 6.4119 6.4119 6.8817 6.8817 6.8817 6.8817 7.0860 7.0860 7.0860 7.0860 7.4297 7.4297 7.4297 7.4297 7.9934 7.9934 7.9934 7.9934 8.6512 8.6512 8.6512 8.6512 8.8891 8.8891 8.8891 8.8891 10.2527 10.2527 10.2527 10.2527 10.8350 10.8350 10.8350 10.8350 13.1427 13.1427 13.1427 13.1427 13.3220 13.3220 k = 0.0000 0.5000 0.0677 ( 5218 PWs) bands (ev): -1.1781 -1.1781 -1.1781 -1.1781 1.7530 1.7530 1.7530 1.7530 4.1278 4.1278 4.1278 4.1278 6.0311 6.0311 6.0311 6.0311 6.4116 6.4116 6.4116 6.4116 6.8875 6.8875 6.8875 6.8875 7.0877 7.0877 7.0877 7.0877 7.4282 7.4282 7.4282 7.4282 7.9238 7.9238 7.9238 7.9238 8.6470 8.6470 8.6470 8.6470 8.9715 8.9715 8.9715 8.9715 10.2647 10.2647 10.2647 10.2647 10.8366 10.8366 10.8366 10.8366 13.1432 13.1432 13.1432 13.1432 13.2830 13.2830 k = 0.0000 0.5000 0.0790 ( 5224 PWs) bands (ev): -1.1778 -1.1778 -1.1778 -1.1778 1.7487 1.7487 1.7487 1.7487 4.1465 4.1465 4.1465 4.1465 6.0139 6.0139 6.0139 6.0139 6.4114 6.4114 6.4114 6.4114 6.8939 6.8939 6.8939 6.8939 7.0898 7.0898 7.0898 7.0898 7.4263 7.4263 7.4263 7.4263 7.8580 7.8580 7.8580 7.8580 8.6424 8.6424 8.6424 8.6424 9.0515 9.0515 9.0515 9.0515 10.2780 10.2780 10.2780 10.2780 10.8384 10.8384 10.8384 10.8384 13.1430 13.1430 13.1430 13.1430 13.2419 13.2419 k = 0.0000 0.5000 0.0903 ( 5212 PWs) bands (ev): -1.1775 -1.1775 -1.1775 -1.1775 1.7442 1.7442 1.7442 1.7442 4.1665 4.1665 4.1665 4.1665 5.9954 5.9954 5.9954 5.9954 6.4112 6.4112 6.4112 6.4112 6.9009 6.9009 6.9009 6.9009 7.0923 7.0923 7.0923 7.0923 7.4237 7.4237 7.4237 7.4237 7.7969 7.7969 7.7969 7.7969 8.6376 8.6376 8.6376 8.6376 9.1281 9.1281 9.1281 9.1281 10.2921 10.2921 10.2921 10.2921 10.8404 10.8404 10.8404 10.8404 13.1417 13.1417 13.1417 13.1417 13.2009 13.2009 k = 0.0000 0.5000 0.1016 ( 5216 PWs) bands (ev): -1.1772 -1.1772 -1.1772 -1.1772 1.7396 1.7396 1.7396 1.7396 4.1873 4.1873 4.1873 4.1873 5.9759 5.9759 5.9759 5.9759 6.4109 6.4109 6.4109 6.4109 6.9081 6.9081 6.9081 6.9081 7.0953 7.0953 7.0953 7.0953 7.4203 7.4203 7.4203 7.4203 7.7411 7.7411 7.7411 7.7411 8.6328 8.6328 8.6328 8.6328 9.2001 9.2001 9.2001 9.2001 10.3066 10.3066 10.3066 10.3066 10.8425 10.8425 10.8425 10.8425 13.1364 13.1364 13.1364 13.1364 13.1640 13.1640 k = 0.0000 0.5000 0.1129 ( 5200 PWs) bands (ev): -1.1769 -1.1769 -1.1769 -1.1769 1.7351 1.7351 1.7351 1.7351 4.2081 4.2081 4.2081 4.2081 5.9562 5.9562 5.9562 5.9562 6.4108 6.4108 6.4108 6.4108 6.9154 6.9154 6.9154 6.9154 7.0989 7.0989 7.0989 7.0989 7.4159 7.4159 7.4159 7.4159 7.6915 7.6915 7.6915 7.6915 8.6281 8.6281 8.6281 8.6281 9.2666 9.2666 9.2666 9.2666 10.3209 10.3209 10.3209 10.3209 10.8447 10.8447 10.8447 10.8447 13.1127 13.1127 13.1127 13.1127 13.1468 13.1468 k = 0.0000 0.5000 0.1242 ( 5200 PWs) bands (ev): -1.1766 -1.1766 -1.1766 -1.1766 1.7310 1.7310 1.7310 1.7310 4.2283 4.2283 4.2283 4.2283 5.9369 5.9369 5.9369 5.9369 6.4107 6.4107 6.4107 6.4107 6.9224 6.9224 6.9224 6.9224 7.1029 7.1029 7.1029 7.1029 7.4101 7.4101 7.4101 7.4101 7.6485 7.6485 7.6485 7.6485 8.6237 8.6237 8.6237 8.6237 9.3266 9.3266 9.3266 9.3266 10.3346 10.3346 10.3346 10.3346 10.8468 10.8468 10.8468 10.8468 13.0790 13.0790 13.0790 13.0790 13.1420 13.1420 k = 0.0000 0.5000 0.1355 ( 5192 PWs) bands (ev): -1.1764 -1.1764 -1.1764 -1.1764 1.7271 1.7271 1.7271 1.7271 4.2471 4.2471 4.2471 4.2471 5.9189 5.9189 5.9189 5.9189 6.4106 6.4106 6.4106 6.4106 6.9289 6.9289 6.9289 6.9289 7.1073 7.1073 7.1073 7.1073 7.4029 7.4029 7.4029 7.4029 7.6127 7.6127 7.6127 7.6127 8.6196 8.6196 8.6196 8.6196 9.3791 9.3791 9.3791 9.3791 10.3473 10.3473 10.3473 10.3473 10.8489 10.8489 10.8489 10.8489 13.0475 13.0475 13.0475 13.0475 13.1387 13.1387 k = 0.0000 0.5000 0.1468 ( 5202 PWs) bands (ev): -1.1761 -1.1761 -1.1761 -1.1761 1.7239 1.7239 1.7239 1.7239 4.2637 4.2637 4.2637 4.2637 5.9027 5.9027 5.9027 5.9027 6.4105 6.4105 6.4105 6.4105 6.9347 6.9347 6.9347 6.9347 7.1120 7.1120 7.1120 7.1120 7.3945 7.3945 7.3945 7.3945 7.5846 7.5846 7.5846 7.5846 8.6162 8.6162 8.6162 8.6162 9.4234 9.4234 9.4234 9.4234 10.3584 10.3584 10.3584 10.3584 10.8508 10.8508 10.8508 10.8508 13.0203 13.0203 13.0203 13.0203 13.1356 13.1356 k = 0.0000 0.5000 0.1580 ( 5198 PWs) bands (ev): -1.1760 -1.1760 -1.1760 -1.1760 1.7212 1.7212 1.7212 1.7212 4.2775 4.2775 4.2775 4.2775 5.8893 5.8893 5.8893 5.8893 6.4104 6.4104 6.4104 6.4104 6.9395 6.9395 6.9395 6.9395 7.1165 7.1165 7.1165 7.1165 7.3855 7.3855 7.3855 7.3855 7.5639 7.5639 7.5639 7.5639 8.6134 8.6134 8.6134 8.6134 9.4587 9.4587 9.4587 9.4587 10.3675 10.3675 10.3675 10.3675 10.8524 10.8524 10.8524 10.8524 12.9984 12.9984 12.9985 12.9985 13.1329 13.1329 k = 0.0000 0.5000 0.1693 ( 5186 PWs) bands (ev): -1.1758 -1.1758 -1.1758 -1.1758 1.7192 1.7192 1.7192 1.7192 4.2879 4.2879 4.2879 4.2879 5.8792 5.8792 5.8792 5.8792 6.4104 6.4104 6.4104 6.4104 6.9431 6.9431 6.9431 6.9431 7.1204 7.1204 7.1204 7.1204 7.3774 7.3774 7.3774 7.3774 7.5501 7.5501 7.5501 7.5501 8.6113 8.6113 8.6113 8.6113 9.4844 9.4844 9.4844 9.4844 10.3742 10.3742 10.3742 10.3742 10.8536 10.8536 10.8536 10.8536 12.9824 12.9824 12.9824 12.9824 13.1306 13.1306 k = 0.0000 0.5000 0.1806 ( 5184 PWs) bands (ev): -1.1757 -1.1757 -1.1757 -1.1757 1.7180 1.7180 1.7180 1.7180 4.2943 4.2943 4.2943 4.2943 5.8729 5.8729 5.8729 5.8729 6.4104 6.4104 6.4104 6.4104 6.9453 6.9453 6.9453 6.9453 7.1231 7.1231 7.1231 7.1231 7.3717 7.3717 7.3717 7.3717 7.5422 7.5422 7.5422 7.5422 8.6101 8.6101 8.6101 8.6101 9.5000 9.5000 9.5000 9.5000 10.3784 10.3784 10.3784 10.3784 10.8544 10.8544 10.8544 10.8544 12.9726 12.9726 12.9726 12.9726 13.1292 13.1292 k = 0.0000 0.5000 0.1919 ( 5180 PWs) bands (ev): -1.1757 -1.1757 -1.1757 -1.1757 1.7176 1.7176 1.7176 1.7176 4.2965 4.2965 4.2965 4.2965 5.8708 5.8708 5.8708 5.8708 6.4104 6.4104 6.4104 6.4104 6.9461 6.9461 6.9461 6.9461 7.1241 7.1241 7.1241 7.1241 7.3696 7.3696 7.3696 7.3696 7.5397 7.5397 7.5397 7.5397 8.6096 8.6096 8.6096 8.6096 9.5052 9.5052 9.5052 9.5052 10.3798 10.3798 10.3798 10.3798 10.8546 10.8546 10.8546 10.8546 12.9693 12.9693 12.9693 12.9693 13.1287 13.1287 k = 0.5000 0.5000-0.0000 ( 5184 PWs) bands (ev): -0.7576 -0.7576 -0.7576 -0.7576 3.5399 3.5399 3.5399 3.5399 4.3117 4.3117 4.3117 4.3117 4.9621 4.9621 4.9621 4.9621 5.9955 5.9955 5.9955 5.9955 6.4569 6.4569 6.4569 6.4569 6.5715 6.5715 6.5715 6.5715 7.0437 7.0437 7.0437 7.0437 7.4779 7.4779 7.4779 7.4779 7.7057 7.7057 7.7057 7.7057 8.6861 8.6861 8.6861 8.6861 8.7144 8.7144 8.7144 8.7144 12.6907 12.6907 12.6907 12.6907 13.4316 13.4316 13.4316 13.4316 13.6658 13.6658 k = 0.5000 0.5000 0.0113 ( 5192 PWs) bands (ev): -0.7576 -0.7576 -0.7576 -0.7576 3.5399 3.5399 3.5399 3.5399 4.3116 4.3116 4.3116 4.3116 4.9620 4.9620 4.9620 4.9620 5.9955 5.9955 5.9955 5.9955 6.4535 6.4535 6.4535 6.4535 6.5714 6.5714 6.5714 6.5714 7.0487 7.0487 7.0487 7.0487 7.4780 7.4780 7.4780 7.4780 7.7057 7.7057 7.7057 7.7057 8.6858 8.6858 8.6858 8.6858 8.7146 8.7146 8.7146 8.7146 12.6655 12.6655 12.6655 12.6655 13.4564 13.4564 13.4564 13.4564 13.6664 13.6664 k = 0.5000 0.5000 0.0226 ( 5192 PWs) bands (ev): -0.7576 -0.7576 -0.7576 -0.7576 3.5401 3.5401 3.5401 3.5401 4.3113 4.3113 4.3113 4.3113 4.9620 4.9620 4.9620 4.9620 5.9954 5.9954 5.9954 5.9954 6.4436 6.4436 6.4436 6.4436 6.5714 6.5714 6.5714 6.5714 7.0630 7.0630 7.0630 7.0630 7.4781 7.4781 7.4781 7.4781 7.7057 7.7057 7.7057 7.7057 8.6851 8.6851 8.6851 8.6851 8.7152 8.7152 8.7152 8.7152 12.5988 12.5988 12.5988 12.5988 13.5214 13.5214 13.5214 13.5214 13.6684 13.6684 k = 0.5000 0.5000 0.0339 ( 5216 PWs) bands (ev): -0.7576 -0.7576 -0.7576 -0.7576 3.5403 3.5403 3.5403 3.5403 4.3109 4.3109 4.3109 4.3109 4.9618 4.9618 4.9618 4.9618 5.9954 5.9954 5.9954 5.9954 6.4283 6.4283 6.4283 6.4283 6.5714 6.5714 6.5714 6.5714 7.0855 7.0855 7.0855 7.0855 7.4784 7.4784 7.4784 7.4784 7.7056 7.7056 7.7056 7.7056 8.6839 8.6839 8.6839 8.6839 8.7160 8.7160 8.7160 8.7160 12.5072 12.5072 12.5072 12.5072 13.6071 13.6071 13.6071 13.6071 13.6734 13.6734 k = 0.5000 0.5000 0.0452 ( 5236 PWs) bands (ev): -0.7575 -0.7575 -0.7575 -0.7575 3.5406 3.5406 3.5406 3.5406 4.3104 4.3104 4.3104 4.3104 4.9617 4.9617 4.9617 4.9617 5.9953 5.9953 5.9953 5.9953 6.4092 6.4092 6.4092 6.4092 6.5713 6.5713 6.5713 6.5713 7.1146 7.1146 7.1146 7.1146 7.4788 7.4788 7.4788 7.4788 7.7056 7.7056 7.7056 7.7056 8.6823 8.6823 8.6823 8.6823 8.7171 8.7171 8.7171 8.7171 12.4034 12.4034 12.4034 12.4034 13.6649 13.6649 13.6649 13.6649 13.7153 13.7153 k = 0.5000 0.5000 0.0564 ( 5236 PWs) bands (ev): -0.7575 -0.7575 -0.7575 -0.7575 3.5409 3.5409 3.5409 3.5409 4.3097 4.3097 4.3097 4.3097 4.9615 4.9615 4.9615 4.9615 5.9952 5.9952 5.9952 5.9952 6.3877 6.3877 6.3877 6.3877 6.5713 6.5713 6.5713 6.5713 7.1484 7.1484 7.1484 7.1484 7.4793 7.4793 7.4793 7.4793 7.7057 7.7057 7.7057 7.7057 8.6806 8.6806 8.6806 8.6806 8.7184 8.7184 8.7184 8.7184 12.2951 12.2951 12.2951 12.2951 13.6731 13.6731 13.6731 13.6731 13.7983 13.7983 k = 0.5000 0.5000 0.0677 ( 5208 PWs) bands (ev): -0.7574 -0.7574 -0.7574 -0.7574 3.5414 3.5414 3.5414 3.5414 4.3090 4.3090 4.3090 4.3090 4.9613 4.9613 4.9613 4.9613 5.9951 5.9951 5.9951 5.9951 6.3650 6.3650 6.3650 6.3650 6.5713 6.5713 6.5713 6.5713 7.1855 7.1855 7.1855 7.1855 7.4799 7.4799 7.4799 7.4799 7.7058 7.7058 7.7058 7.7058 8.6788 8.6788 8.6788 8.6788 8.7197 8.7197 8.7197 8.7197 12.1867 12.1867 12.1867 12.1867 13.6784 13.6784 13.6784 13.6784 13.8232 13.8232 k = 0.5000 0.5000 0.0790 ( 5212 PWs) bands (ev): -0.7574 -0.7574 -0.7574 -0.7574 3.5418 3.5418 3.5418 3.5418 4.3082 4.3082 4.3082 4.3082 4.9610 4.9610 4.9610 4.9610 5.9949 5.9949 5.9949 5.9949 6.3421 6.3421 6.3421 6.3421 6.5713 6.5713 6.5713 6.5713 7.2243 7.2243 7.2243 7.2243 7.4807 7.4807 7.4807 7.4807 7.7059 7.7059 7.7059 7.7059 8.6769 8.6769 8.6769 8.6769 8.7211 8.7211 8.7211 8.7211 12.0813 12.0813 12.0813 12.0813 13.6836 13.6836 13.6836 13.6836 13.8261 13.8261 k = 0.5000 0.5000 0.0903 ( 5196 PWs) bands (ev): -0.7573 -0.7573 -0.7573 -0.7573 3.5423 3.5423 3.5423 3.5423 4.3073 4.3073 4.3073 4.3073 4.9607 4.9607 4.9607 4.9607 5.9947 5.9947 5.9947 5.9947 6.3199 6.3199 6.3199 6.3199 6.5713 6.5713 6.5713 6.5713 7.2636 7.2636 7.2636 7.2636 7.4816 7.4816 7.4816 7.4816 7.7060 7.7060 7.7060 7.7060 8.6751 8.6751 8.6751 8.6751 8.7223 8.7223 8.7223 8.7223 11.9808 11.9808 11.9808 11.9808 13.6889 13.6889 13.6889 13.6889 13.8271 13.8271 k = 0.5000 0.5000 0.1016 ( 5192 PWs) bands (ev): -0.7572 -0.7572 -0.7572 -0.7572 3.5428 3.5428 3.5428 3.5428 4.3064 4.3064 4.3064 4.3064 4.9605 4.9605 4.9605 4.9605 5.9944 5.9944 5.9944 5.9944 6.2989 6.2989 6.2989 6.2989 6.5713 6.5713 6.5713 6.5713 7.3020 7.3020 7.3020 7.3020 7.4827 7.4827 7.4827 7.4827 7.7062 7.7062 7.7062 7.7062 8.6733 8.6733 8.6733 8.6733 8.7235 8.7235 8.7235 8.7235 11.8867 11.8867 11.8867 11.8867 13.6944 13.6944 13.6944 13.6944 13.8278 13.8278 k = 0.5000 0.5000 0.1129 ( 5188 PWs) bands (ev): -0.7572 -0.7572 -0.7572 -0.7572 3.5433 3.5433 3.5433 3.5433 4.3055 4.3055 4.3055 4.3055 4.9602 4.9602 4.9602 4.9602 5.9941 5.9941 5.9941 5.9941 6.2797 6.2797 6.2797 6.2797 6.5713 6.5713 6.5713 6.5713 7.3384 7.3384 7.3384 7.3384 7.4841 7.4841 7.4841 7.4841 7.7063 7.7063 7.7063 7.7063 8.6716 8.6716 8.6716 8.6716 8.7246 8.7246 8.7246 8.7246 11.8005 11.8005 11.8005 11.8005 13.6997 13.6997 13.6997 13.6998 13.8282 13.8282 k = 0.5000 0.5000 0.1242 ( 5180 PWs) bands (ev): -0.7571 -0.7571 -0.7571 -0.7571 3.5437 3.5437 3.5437 3.5437 4.3047 4.3047 4.3047 4.3047 4.9599 4.9599 4.9599 4.9599 5.9938 5.9938 5.9938 5.9938 6.2626 6.2626 6.2626 6.2626 6.5713 6.5713 6.5713 6.5713 7.3717 7.3717 7.3717 7.3717 7.4860 7.4860 7.4860 7.4860 7.7065 7.7065 7.7065 7.7065 8.6701 8.6701 8.6701 8.6701 8.7255 8.7255 8.7255 8.7255 11.7233 11.7233 11.7233 11.7233 13.7049 13.7049 13.7049 13.7049 13.8286 13.8286 k = 0.5000 0.5000 0.1355 ( 5188 PWs) bands (ev): -0.7571 -0.7571 -0.7571 -0.7571 3.5441 3.5441 3.5441 3.5441 4.3039 4.3039 4.3039 4.3039 4.9597 4.9597 4.9597 4.9597 5.9935 5.9935 5.9935 5.9935 6.2477 6.2477 6.2477 6.2477 6.5713 6.5713 6.5713 6.5713 7.4006 7.4006 7.4006 7.4006 7.4885 7.4885 7.4885 7.4885 7.7067 7.7067 7.7067 7.7067 8.6687 8.6687 8.6687 8.6687 8.7263 8.7263 8.7263 8.7263 11.6560 11.6560 11.6560 11.6560 13.7096 13.7096 13.7096 13.7096 13.8290 13.8290 k = 0.5000 0.5000 0.1468 ( 5188 PWs) bands (ev): -0.7570 -0.7570 -0.7570 -0.7570 3.5445 3.5445 3.5445 3.5445 4.3033 4.3033 4.3033 4.3033 4.9595 4.9595 4.9595 4.9595 5.9931 5.9931 5.9931 5.9931 6.2354 6.2354 6.2354 6.2354 6.5713 6.5713 6.5713 6.5713 7.4239 7.4239 7.4239 7.4239 7.4923 7.4923 7.4923 7.4923 7.7069 7.7069 7.7069 7.7069 8.6676 8.6676 8.6676 8.6676 8.7270 8.7270 8.7270 8.7270 11.5996 11.5996 11.5996 11.5996 13.7137 13.7137 13.7137 13.7137 13.8293 13.8293 k = 0.5000 0.5000 0.1580 ( 5192 PWs) bands (ev): -0.7570 -0.7570 -0.7570 -0.7570 3.5448 3.5448 3.5448 3.5448 4.3028 4.3028 4.3028 4.3028 4.9593 4.9593 4.9593 4.9593 5.9928 5.9928 5.9928 5.9928 6.2258 6.2258 6.2258 6.2258 6.5712 6.5712 6.5712 6.5712 7.4407 7.4407 7.4407 7.4407 7.4974 7.4974 7.4974 7.4974 7.7070 7.7070 7.7070 7.7070 8.6667 8.6667 8.6667 8.6667 8.7275 8.7275 8.7275 8.7275 11.5548 11.5548 11.5548 11.5548 13.7171 13.7171 13.7171 13.7171 13.8295 13.8295 k = 0.5000 0.5000 0.1693 ( 5200 PWs) bands (ev): -0.7570 -0.7570 -0.7570 -0.7570 3.5450 3.5450 3.5450 3.5450 4.3024 4.3024 4.3024 4.3024 4.9592 4.9592 4.9592 4.9592 5.9926 5.9926 5.9926 5.9926 6.2188 6.2188 6.2188 6.2188 6.5712 6.5712 6.5712 6.5712 7.4509 7.4509 7.4509 7.4509 7.5031 7.5031 7.5031 7.5031 7.7072 7.7072 7.7072 7.7072 8.6660 8.6660 8.6660 8.6660 8.7279 8.7279 8.7279 8.7279 11.5223 11.5223 11.5223 11.5223 13.7196 13.7196 13.7196 13.7196 13.8297 13.8297 k = 0.5000 0.5000 0.1806 ( 5200 PWs) bands (ev): -0.7570 -0.7570 -0.7570 -0.7570 3.5452 3.5452 3.5452 3.5452 4.3021 4.3021 4.3021 4.3021 4.9591 4.9591 4.9591 4.9591 5.9924 5.9924 5.9924 5.9924 6.2146 6.2146 6.2146 6.2146 6.5712 6.5712 6.5712 6.5712 7.4561 7.4561 7.4561 7.4561 7.5078 7.5078 7.5078 7.5078 7.7073 7.7073 7.7073 7.7073 8.6656 8.6656 8.6656 8.6656 8.7281 8.7281 8.7281 8.7281 11.5026 11.5026 11.5026 11.5026 13.7212 13.7212 13.7212 13.7212 13.8299 13.8299 k = 0.5000 0.5000 0.1919 ( 5200 PWs) bands (ev): -0.7570 -0.7570 -0.7570 -0.7570 3.5452 3.5452 3.5452 3.5452 4.3020 4.3020 4.3020 4.3020 4.9591 4.9591 4.9591 4.9591 5.9924 5.9924 5.9924 5.9924 6.2132 6.2132 6.2132 6.2132 6.5712 6.5712 6.5712 6.5712 7.4576 7.4576 7.4576 7.4576 7.5095 7.5095 7.5095 7.5095 7.7073 7.7073 7.7073 7.7073 8.6655 8.6655 8.6655 8.6655 8.7282 8.7282 8.7282 8.7282 11.4960 11.4960 11.4960 11.4960 13.7217 13.7217 13.7217 13.7217 13.8299 13.8299 Writing output data file ZrSiCuAs.save init_run : 0.26s CPU 0.41s WALL ( 1 calls) electrons : 361.41s CPU 369.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 361.39s CPU 369.15s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 354 calls) cegterg : 340.16s CPU 344.50s WALL ( 1133 calls) Called by sum_band: Called by *egterg: h_psi : 147.08s CPU 150.11s WALL ( 20218 calls) s_psi : 14.06s CPU 14.30s WALL ( 20218 calls) g_psi : 0.56s CPU 0.57s WALL ( 18731 calls) cdiaghg : 149.45s CPU 150.99s WALL ( 19085 calls) cegterg:over : 16.18s CPU 15.79s WALL ( 18731 calls) cegterg:upda : 16.49s CPU 16.77s WALL ( 18731 calls) cegterg:last : 6.22s CPU 6.34s WALL ( 2212 calls) cdiaghg:chol : 8.37s CPU 8.57s WALL ( 19085 calls) cdiaghg:inve : 5.98s CPU 5.84s WALL ( 19085 calls) cdiaghg:para : 8.91s CPU 9.27s WALL ( 38170 calls) Called by h_psi: h_psi:vloc : 112.37s CPU 115.20s WALL ( 20218 calls) h_psi:vnl : 34.10s CPU 34.25s WALL ( 20218 calls) add_vuspsi : 18.15s CPU 17.94s WALL ( 20218 calls) General routines calbec : 15.88s CPU 16.26s WALL ( 20218 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 104.52s CPU 107.51s WALL ( 1549916 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 2.81s WALL ( 708 calls) Parallel routines fft_scatter : 49.06s CPU 50.69s WALL ( 1549939 calls) PWSCF : 6m23.39s CPU 6m42.82s WALL This run was terminated on: 13: 6:48 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=