Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:59: 8 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: ./ZnCl2.save/ file Zn.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 30 19 6 2120 1141 189 Max 31 20 8 2128 1164 196 Sum 1085 717 221 76447 41459 6899 bravais-lattice index = 14 lattice parameter (alat) = 6.9920 a.u. unit-cell volume = 985.7445 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.991986 celldm(2)= 1.000000 celldm(3)= 2.883784 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 2.883784 ) 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 0.346767 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Cl 7.00 35.45300 Cl( 1.00) Zn 12.00 65.40900 Zn( 1.00) 16 Sym. Ops., with inversion, found (14 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4418919 ) 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 ) ( 0.5000000 ) 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 ) ( 1.4418919 ) 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 ) ( 0.5000000 ) 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 ) ( 1.4418919 ) 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 ) ( 0.5000000 ) 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 ) ( 1.4418919 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4418919 ) 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 ) ( 0.5000000 ) 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 ) ( 1.4418919 ) 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 ) ( 0.5000000 ) 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 ) ( 1.4418919 ) 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 ) ( 0.5000000 ) 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 ) ( 1.4418919 ) 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0028736 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0028736 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0028736 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028736 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0028736 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028736 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0028736 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0028736 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0028736 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0028736 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0028736 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0028736 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0028736 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0028736 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0028736 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0028736 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0028736 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0028736 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0028736 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028736 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0028736 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0028736 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028736 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0028736 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0028736 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0028736 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0028736 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028736 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0028736 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0028736 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0028736 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0028736 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0028736 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0028736 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0028736 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0028736 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0028736 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0028736 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0028736 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0028736 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0028736 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0028736 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0028736 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0028736 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0028736 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0028736 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0028736 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0028736 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0028736 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0028736 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0028736 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0028736 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0028736 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0028736 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0028736 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028736 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028736 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0028736 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0028736 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028736 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0028736 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0028736 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028736 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0028736 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028736 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0028736 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0028736 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0028736 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0028736 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0028736 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0028736 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0028736 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0028736 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0028736 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0028736 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0028736 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0028736 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0028736 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0028736 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0028736 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0028736 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0028736 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0028736 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0028736 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0028736 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0028736 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0028736 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0028736 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0028736 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0028736 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0028736 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0028736 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0028736 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0028736 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0028736 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0028736 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0028736 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0028736 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0028736 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0028736 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0028736 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0028736 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0028736 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0028736 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0028736 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0028736 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0028736 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0028736 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0028736 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0028736 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0028736 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0028736 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0028736 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0028736 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0028736 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0028736 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0028736 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0028736 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0028736 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0028736 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0028736 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0028736 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0028736 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0028736 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0028736 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.0115589), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.0231178), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.0346767), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.0462356), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.0577944), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.0693533), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.0809122), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.0924711), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.1040300), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.1155889), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.1271478), wk = 0.0028736 k( 163) = ( 0.0000000 0.0000000 0.1387067), wk = 0.0028736 k( 164) = ( 0.0000000 0.0000000 0.1502655), wk = 0.0028736 k( 165) = ( 0.0000000 0.0000000 0.1618244), wk = 0.0028736 k( 166) = ( 0.0000000 0.0000000 0.1733833), wk = 0.0028736 k( 167) = ( 0.0000000 0.0000000 0.1733833), wk = 0.0028736 k( 168) = ( 0.0000000 0.0116279 0.1733833), wk = 0.0028736 k( 169) = ( 0.0000000 0.0232558 0.1733833), wk = 0.0028736 k( 170) = ( 0.0000000 0.0348837 0.1733833), wk = 0.0028736 k( 171) = ( 0.0000000 0.0465116 0.1733833), wk = 0.0028736 k( 172) = ( 0.0000000 0.0581395 0.1733833), wk = 0.0028736 k( 173) = ( 0.0000000 0.0697674 0.1733833), wk = 0.0028736 k( 174) = ( 0.0000000 0.0813954 0.1733833), wk = 0.0028736 k( 175) = ( 0.0000000 0.0930233 0.1733833), wk = 0.0028736 k( 176) = ( 0.0000000 0.1046512 0.1733833), wk = 0.0028736 k( 177) = ( 0.0000000 0.1162791 0.1733833), wk = 0.0028736 k( 178) = ( 0.0000000 0.1279070 0.1733833), wk = 0.0028736 k( 179) = ( 0.0000000 0.1395349 0.1733833), wk = 0.0028736 k( 180) = ( 0.0000000 0.1511628 0.1733833), wk = 0.0028736 k( 181) = ( 0.0000000 0.1627907 0.1733833), wk = 0.0028736 k( 182) = ( 0.0000000 0.1744186 0.1733833), wk = 0.0028736 k( 183) = ( 0.0000000 0.1860465 0.1733833), wk = 0.0028736 k( 184) = ( 0.0000000 0.1976744 0.1733833), wk = 0.0028736 k( 185) = ( 0.0000000 0.2093023 0.1733833), wk = 0.0028736 k( 186) = ( 0.0000000 0.2209302 0.1733833), wk = 0.0028736 k( 187) = ( 0.0000000 0.2325581 0.1733833), wk = 0.0028736 k( 188) = ( 0.0000000 0.2441860 0.1733833), wk = 0.0028736 k( 189) = ( 0.0000000 0.2558140 0.1733833), wk = 0.0028736 k( 190) = ( 0.0000000 0.2674419 0.1733833), wk = 0.0028736 k( 191) = ( 0.0000000 0.2790698 0.1733833), wk = 0.0028736 k( 192) = ( 0.0000000 0.2906977 0.1733833), wk = 0.0028736 k( 193) = ( 0.0000000 0.3023256 0.1733833), wk = 0.0028736 k( 194) = ( 0.0000000 0.3139535 0.1733833), wk = 0.0028736 k( 195) = ( 0.0000000 0.3255814 0.1733833), wk = 0.0028736 k( 196) = ( 0.0000000 0.3372093 0.1733833), wk = 0.0028736 k( 197) = ( 0.0000000 0.3488372 0.1733833), wk = 0.0028736 k( 198) = ( 0.0000000 0.3604651 0.1733833), wk = 0.0028736 k( 199) = ( 0.0000000 0.3720930 0.1733833), wk = 0.0028736 k( 200) = ( 0.0000000 0.3837209 0.1733833), wk = 0.0028736 k( 201) = ( 0.0000000 0.3953488 0.1733833), wk = 0.0028736 k( 202) = ( 0.0000000 0.4069767 0.1733833), wk = 0.0028736 k( 203) = ( 0.0000000 0.4186047 0.1733833), wk = 0.0028736 k( 204) = ( 0.0000000 0.4302326 0.1733833), wk = 0.0028736 k( 205) = ( 0.0000000 0.4418605 0.1733833), wk = 0.0028736 k( 206) = ( 0.0000000 0.4534884 0.1733833), wk = 0.0028736 k( 207) = ( 0.0000000 0.4651163 0.1733833), wk = 0.0028736 k( 208) = ( 0.0000000 0.4767442 0.1733833), wk = 0.0028736 k( 209) = ( 0.0000000 0.4883721 0.1733833), wk = 0.0028736 k( 210) = ( 0.0000000 0.5000000 0.1733833), wk = 0.0028736 k( 211) = ( 0.0000000 0.5000000 0.1733833), wk = 0.0028736 k( 212) = ( 0.0116279 0.5000000 0.1733833), wk = 0.0028736 k( 213) = ( 0.0232558 0.5000000 0.1733833), wk = 0.0028736 k( 214) = ( 0.0348837 0.5000000 0.1733833), wk = 0.0028736 k( 215) = ( 0.0465116 0.5000000 0.1733833), wk = 0.0028736 k( 216) = ( 0.0581395 0.5000000 0.1733833), wk = 0.0028736 k( 217) = ( 0.0697674 0.5000000 0.1733833), wk = 0.0028736 k( 218) = ( 0.0813954 0.5000000 0.1733833), wk = 0.0028736 k( 219) = ( 0.0930233 0.5000000 0.1733833), wk = 0.0028736 k( 220) = ( 0.1046512 0.5000000 0.1733833), wk = 0.0028736 k( 221) = ( 0.1162791 0.5000000 0.1733833), wk = 0.0028736 k( 222) = ( 0.1279070 0.5000000 0.1733833), wk = 0.0028736 k( 223) = ( 0.1395349 0.5000000 0.1733833), wk = 0.0028736 k( 224) = ( 0.1511628 0.5000000 0.1733833), wk = 0.0028736 k( 225) = ( 0.1627907 0.5000000 0.1733833), wk = 0.0028736 k( 226) = ( 0.1744186 0.5000000 0.1733833), wk = 0.0028736 k( 227) = ( 0.1860465 0.5000000 0.1733833), wk = 0.0028736 k( 228) = ( 0.1976744 0.5000000 0.1733833), wk = 0.0028736 k( 229) = ( 0.2093023 0.5000000 0.1733833), wk = 0.0028736 k( 230) = ( 0.2209302 0.5000000 0.1733833), wk = 0.0028736 k( 231) = ( 0.2325581 0.5000000 0.1733833), wk = 0.0028736 k( 232) = ( 0.2441860 0.5000000 0.1733833), wk = 0.0028736 k( 233) = ( 0.2558140 0.5000000 0.1733833), wk = 0.0028736 k( 234) = ( 0.2674419 0.5000000 0.1733833), wk = 0.0028736 k( 235) = ( 0.2790698 0.5000000 0.1733833), wk = 0.0028736 k( 236) = ( 0.2906977 0.5000000 0.1733833), wk = 0.0028736 k( 237) = ( 0.3023256 0.5000000 0.1733833), wk = 0.0028736 k( 238) = ( 0.3139535 0.5000000 0.1733833), wk = 0.0028736 k( 239) = ( 0.3255814 0.5000000 0.1733833), wk = 0.0028736 k( 240) = ( 0.3372093 0.5000000 0.1733833), wk = 0.0028736 k( 241) = ( 0.3488372 0.5000000 0.1733833), wk = 0.0028736 k( 242) = ( 0.3604651 0.5000000 0.1733833), wk = 0.0028736 k( 243) = ( 0.3720930 0.5000000 0.1733833), wk = 0.0028736 k( 244) = ( 0.3837209 0.5000000 0.1733833), wk = 0.0028736 k( 245) = ( 0.3953488 0.5000000 0.1733833), wk = 0.0028736 k( 246) = ( 0.4069767 0.5000000 0.1733833), wk = 0.0028736 k( 247) = ( 0.4186047 0.5000000 0.1733833), wk = 0.0028736 k( 248) = ( 0.4302326 0.5000000 0.1733833), wk = 0.0028736 k( 249) = ( 0.4418605 0.5000000 0.1733833), wk = 0.0028736 k( 250) = ( 0.4534884 0.5000000 0.1733833), wk = 0.0028736 k( 251) = ( 0.4651163 0.5000000 0.1733833), wk = 0.0028736 k( 252) = ( 0.4767442 0.5000000 0.1733833), wk = 0.0028736 k( 253) = ( 0.4883721 0.5000000 0.1733833), wk = 0.0028736 k( 254) = ( 0.5000000 0.5000000 0.1733833), wk = 0.0028736 k( 255) = ( 0.5000000 0.5000000 0.1733833), wk = 0.0028736 k( 256) = ( 0.4918033 0.4918033 0.1733833), wk = 0.0028736 k( 257) = ( 0.4836066 0.4836066 0.1733833), wk = 0.0028736 k( 258) = ( 0.4754098 0.4754098 0.1733833), wk = 0.0028736 k( 259) = ( 0.4672131 0.4672131 0.1733833), wk = 0.0028736 k( 260) = ( 0.4590164 0.4590164 0.1733833), wk = 0.0028736 k( 261) = ( 0.4508197 0.4508197 0.1733833), wk = 0.0028736 k( 262) = ( 0.4426230 0.4426229 0.1733833), wk = 0.0028736 k( 263) = ( 0.4344262 0.4344262 0.1733833), wk = 0.0028736 k( 264) = ( 0.4262295 0.4262295 0.1733833), wk = 0.0028736 k( 265) = ( 0.4180328 0.4180328 0.1733833), wk = 0.0028736 k( 266) = ( 0.4098361 0.4098361 0.1733833), wk = 0.0028736 k( 267) = ( 0.4016393 0.4016393 0.1733833), wk = 0.0028736 k( 268) = ( 0.3934426 0.3934426 0.1733833), wk = 0.0028736 k( 269) = ( 0.3852459 0.3852459 0.1733833), wk = 0.0028736 k( 270) = ( 0.3770492 0.3770492 0.1733833), wk = 0.0028736 k( 271) = ( 0.3688525 0.3688525 0.1733833), wk = 0.0028736 k( 272) = ( 0.3606557 0.3606557 0.1733833), wk = 0.0028736 k( 273) = ( 0.3524590 0.3524590 0.1733833), wk = 0.0028736 k( 274) = ( 0.3442623 0.3442623 0.1733833), wk = 0.0028736 k( 275) = ( 0.3360656 0.3360656 0.1733833), wk = 0.0028736 k( 276) = ( 0.3278688 0.3278688 0.1733833), wk = 0.0028736 k( 277) = ( 0.3196721 0.3196721 0.1733833), wk = 0.0028736 k( 278) = ( 0.3114754 0.3114754 0.1733833), wk = 0.0028736 k( 279) = ( 0.3032787 0.3032787 0.1733833), wk = 0.0028736 k( 280) = ( 0.2950820 0.2950820 0.1733833), wk = 0.0028736 k( 281) = ( 0.2868852 0.2868852 0.1733833), wk = 0.0028736 k( 282) = ( 0.2786885 0.2786885 0.1733833), wk = 0.0028736 k( 283) = ( 0.2704918 0.2704918 0.1733833), wk = 0.0028736 k( 284) = ( 0.2622951 0.2622951 0.1733833), wk = 0.0028736 k( 285) = ( 0.2540984 0.2540984 0.1733833), wk = 0.0028736 k( 286) = ( 0.2459016 0.2459016 0.1733833), wk = 0.0028736 k( 287) = ( 0.2377049 0.2377049 0.1733833), wk = 0.0028736 k( 288) = ( 0.2295082 0.2295082 0.1733833), wk = 0.0028736 k( 289) = ( 0.2213115 0.2213115 0.1733833), wk = 0.0028736 k( 290) = ( 0.2131147 0.2131147 0.1733833), wk = 0.0028736 k( 291) = ( 0.2049180 0.2049180 0.1733833), wk = 0.0028736 k( 292) = ( 0.1967213 0.1967213 0.1733833), wk = 0.0028736 k( 293) = ( 0.1885246 0.1885246 0.1733833), wk = 0.0028736 k( 294) = ( 0.1803279 0.1803279 0.1733833), wk = 0.0028736 k( 295) = ( 0.1721312 0.1721311 0.1733833), wk = 0.0028736 k( 296) = ( 0.1639344 0.1639344 0.1733833), wk = 0.0028736 k( 297) = ( 0.1557377 0.1557377 0.1733833), wk = 0.0028736 k( 298) = ( 0.1475410 0.1475410 0.1733833), wk = 0.0028736 k( 299) = ( 0.1393443 0.1393443 0.1733833), wk = 0.0028736 k( 300) = ( 0.1311475 0.1311475 0.1733833), wk = 0.0028736 k( 301) = ( 0.1229508 0.1229508 0.1733833), wk = 0.0028736 k( 302) = ( 0.1147541 0.1147541 0.1733833), wk = 0.0028736 k( 303) = ( 0.1065574 0.1065574 0.1733833), wk = 0.0028736 k( 304) = ( 0.0983607 0.0983607 0.1733833), wk = 0.0028736 k( 305) = ( 0.0901639 0.0901639 0.1733833), wk = 0.0028736 k( 306) = ( 0.0819672 0.0819672 0.1733833), wk = 0.0028736 k( 307) = ( 0.0737705 0.0737705 0.1733833), wk = 0.0028736 k( 308) = ( 0.0655738 0.0655738 0.1733833), wk = 0.0028736 k( 309) = ( 0.0573770 0.0573770 0.1733833), wk = 0.0028736 k( 310) = ( 0.0491803 0.0491803 0.1733833), wk = 0.0028736 k( 311) = ( 0.0409836 0.0409836 0.1733833), wk = 0.0028736 k( 312) = ( 0.0327869 0.0327869 0.1733833), wk = 0.0028736 k( 313) = ( 0.0245902 0.0245902 0.1733833), wk = 0.0028736 k( 314) = ( 0.0163934 0.0163934 0.1733833), wk = 0.0028736 k( 315) = ( 0.0081967 0.0081967 0.1733833), wk = 0.0028736 k( 316) = ( 0.0000000 0.0000000 0.1733833), wk = 0.0028736 k( 317) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028736 k( 318) = ( 0.0000000 0.5000000 0.0115589), wk = 0.0028736 k( 319) = ( 0.0000000 0.5000000 0.0231178), wk = 0.0028736 k( 320) = ( 0.0000000 0.5000000 0.0346767), wk = 0.0028736 k( 321) = ( 0.0000000 0.5000000 0.0462356), wk = 0.0028736 k( 322) = ( 0.0000000 0.5000000 0.0577944), wk = 0.0028736 k( 323) = ( 0.0000000 0.5000000 0.0693533), wk = 0.0028736 k( 324) = ( 0.0000000 0.5000000 0.0809122), wk = 0.0028736 k( 325) = ( 0.0000000 0.5000000 0.0924711), wk = 0.0028736 k( 326) = ( 0.0000000 0.5000000 0.1040300), wk = 0.0028736 k( 327) = ( 0.0000000 0.5000000 0.1155889), wk = 0.0028736 k( 328) = ( 0.0000000 0.5000000 0.1271478), wk = 0.0028736 k( 329) = ( 0.0000000 0.5000000 0.1387067), wk = 0.0028736 k( 330) = ( 0.0000000 0.5000000 0.1502655), wk = 0.0028736 k( 331) = ( 0.0000000 0.5000000 0.1618244), wk = 0.0028736 k( 332) = ( 0.0000000 0.5000000 0.1733833), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.0115589), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.0231178), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.0346767), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.0462356), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.0577944), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.0693533), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.0809122), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.0924711), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.1040300), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.1155889), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.1271478), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.1387067), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.1502655), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.1618244), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.1733833), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0028736 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0028736 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0028736 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0028736 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0028736 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0028736 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0028736 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0028736 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0028736 k( 17) = ( 0.0000000 0.1860465 0.0000000), wk = 0.0028736 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0028736 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0028736 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0028736 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0028736 k( 22) = ( 0.0000000 0.2441860 0.0000000), wk = 0.0028736 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0028736 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0028736 k( 25) = ( 0.0000000 0.2790698 0.0000000), wk = 0.0028736 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0028736 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0028736 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0028736 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0028736 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0028736 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0028736 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0028736 k( 33) = ( 0.0000000 0.3720930 0.0000000), wk = 0.0028736 k( 34) = ( 0.0000000 0.3837209 0.0000000), wk = 0.0028736 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0028736 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0028736 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0028736 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0028736 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0028736 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0028736 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0028736 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0028736 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0028736 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 46) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0028736 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0028736 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0028736 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0028736 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0028736 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0028736 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0028736 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0028736 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0028736 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0028736 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0028736 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0028736 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0028736 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0028736 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0028736 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0028736 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0028736 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0028736 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0028736 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0028736 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0028736 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0028736 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0028736 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0028736 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0028736 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0028736 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0028736 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0028736 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0028736 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0028736 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0028736 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0028736 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0028736 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0028736 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0028736 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0028736 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0028736 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 90) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0028736 k( 91) = ( 0.4836066 0.4836066 0.0000000), wk = 0.0028736 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0028736 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0028736 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0028736 k( 95) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0028736 k( 96) = ( 0.4426230 0.4426230 0.0000000), wk = 0.0028736 k( 97) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0028736 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0028736 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0028736 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0028736 k( 101) = ( 0.4016393 0.4016393 0.0000000), wk = 0.0028736 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0028736 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0028736 k( 104) = ( 0.3770492 0.3770492 0.0000000), wk = 0.0028736 k( 105) = ( 0.3688525 0.3688525 0.0000000), wk = 0.0028736 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0028736 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0028736 k( 108) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0028736 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0028736 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0028736 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0028736 k( 112) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0028736 k( 113) = ( 0.3032787 0.3032787 0.0000000), wk = 0.0028736 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0028736 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0028736 k( 116) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0028736 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0028736 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0028736 k( 119) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0028736 k( 120) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0028736 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0028736 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0028736 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0028736 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0028736 k( 125) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0028736 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0028736 k( 127) = ( 0.1885246 0.1885246 0.0000000), wk = 0.0028736 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0028736 k( 129) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0028736 k( 130) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0028736 k( 131) = ( 0.1557377 0.1557377 0.0000000), wk = 0.0028736 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0028736 k( 133) = ( 0.1393443 0.1393443 0.0000000), wk = 0.0028736 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0028736 k( 135) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0028736 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0028736 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0028736 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0028736 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0028736 k( 140) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0028736 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0028736 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0028736 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0028736 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0028736 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0028736 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0028736 k( 147) = ( 0.0245902 0.0245902 0.0000000), wk = 0.0028736 k( 148) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0028736 k( 149) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028736 k( 161) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0028736 k( 162) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0028736 k( 163) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028736 k( 164) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0028736 k( 165) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0028736 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0028736 k( 169) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0028736 k( 170) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0028736 k( 171) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0028736 k( 172) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0028736 k( 173) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0028736 k( 174) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0028736 k( 175) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0028736 k( 176) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0028736 k( 177) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0028736 k( 178) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0028736 k( 179) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0028736 k( 180) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0028736 k( 181) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0028736 k( 182) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0028736 k( 183) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0028736 k( 184) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0028736 k( 185) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0028736 k( 186) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0028736 k( 187) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0028736 k( 188) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0028736 k( 189) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0028736 k( 190) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0028736 k( 191) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0028736 k( 192) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0028736 k( 193) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0028736 k( 194) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0028736 k( 195) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0028736 k( 196) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0028736 k( 197) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0028736 k( 198) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0028736 k( 199) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0028736 k( 200) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0028736 k( 201) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0028736 k( 202) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0028736 k( 203) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0028736 k( 204) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0028736 k( 205) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0028736 k( 206) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0028736 k( 207) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0028736 k( 208) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0028736 k( 209) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0028736 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 211) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 212) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0028736 k( 213) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0028736 k( 214) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0028736 k( 215) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0028736 k( 216) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0028736 k( 217) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0028736 k( 218) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0028736 k( 219) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0028736 k( 220) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0028736 k( 221) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0028736 k( 222) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0028736 k( 223) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0028736 k( 224) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0028736 k( 225) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0028736 k( 226) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0028736 k( 227) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0028736 k( 228) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0028736 k( 229) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0028736 k( 230) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0028736 k( 231) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0028736 k( 232) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0028736 k( 233) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0028736 k( 234) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0028736 k( 235) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0028736 k( 236) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0028736 k( 237) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0028736 k( 238) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0028736 k( 239) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0028736 k( 240) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0028736 k( 241) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0028736 k( 242) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0028736 k( 243) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0028736 k( 244) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0028736 k( 245) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0028736 k( 246) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0028736 k( 247) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0028736 k( 248) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0028736 k( 249) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0028736 k( 250) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0028736 k( 251) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0028736 k( 252) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0028736 k( 253) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0028736 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 255) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 k( 256) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0028736 k( 257) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0028736 k( 258) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0028736 k( 259) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0028736 k( 260) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0028736 k( 261) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0028736 k( 262) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0028736 k( 263) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0028736 k( 264) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0028736 k( 265) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0028736 k( 266) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0028736 k( 267) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0028736 k( 268) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0028736 k( 269) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0028736 k( 270) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0028736 k( 271) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0028736 k( 272) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0028736 k( 273) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0028736 k( 274) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0028736 k( 275) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0028736 k( 276) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0028736 k( 277) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0028736 k( 278) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0028736 k( 279) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0028736 k( 280) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0028736 k( 281) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0028736 k( 282) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0028736 k( 283) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0028736 k( 284) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0028736 k( 285) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0028736 k( 286) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0028736 k( 287) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0028736 k( 288) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0028736 k( 289) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0028736 k( 290) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0028736 k( 291) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0028736 k( 292) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0028736 k( 293) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0028736 k( 294) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0028736 k( 295) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0028736 k( 296) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0028736 k( 297) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0028736 k( 298) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0028736 k( 299) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0028736 k( 300) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0028736 k( 301) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0028736 k( 302) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0028736 k( 303) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0028736 k( 304) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0028736 k( 305) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0028736 k( 306) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0028736 k( 307) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0028736 k( 308) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0028736 k( 309) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0028736 k( 310) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0028736 k( 311) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0028736 k( 312) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0028736 k( 313) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0028736 k( 314) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0028736 k( 315) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0028736 k( 316) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 317) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028736 k( 318) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0028736 k( 319) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0028736 k( 320) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028736 k( 321) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0028736 k( 322) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0028736 k( 323) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028736 k( 324) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0028736 k( 325) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0028736 k( 326) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028736 k( 327) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0028736 k( 328) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0028736 k( 329) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028736 k( 330) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0028736 k( 331) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0028736 k( 332) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028736 k( 333) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028736 k( 334) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0028736 k( 335) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0028736 k( 336) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028736 k( 337) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0028736 k( 338) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0028736 k( 339) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028736 k( 340) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0028736 k( 341) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0028736 k( 342) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028736 k( 343) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0028736 k( 344) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0028736 k( 345) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028736 k( 346) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0028736 k( 347) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0028736 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028736 Dense grid: 76447 G-vectors FFT dimensions: ( 40, 40, 108) Smooth grid: 41459 G-vectors FFT dimensions: ( 32, 32, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 298, 62) NL pseudopotentials 0.46 Mb ( 149, 204) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.02 Mb ( 2128) G-vector shells 0.01 Mb ( 972) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.13 Mb ( 298, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./ZnCl2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.7 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 10.1 secs Computing kpt #: 10 total cpu time spent up to now is 10.9 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.2 secs Computing kpt #: 13 total cpu time spent up to now is 12.8 secs Computing kpt #: 14 total cpu time spent up to now is 13.4 secs Computing kpt #: 15 total cpu time spent up to now is 14.0 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.0 secs Computing kpt #: 18 total cpu time spent up to now is 15.6 secs Computing kpt #: 19 total cpu time spent up to now is 16.1 secs Computing kpt #: 20 total cpu time spent up to now is 16.6 secs Computing kpt #: 21 total cpu time spent up to now is 17.2 secs Computing kpt #: 22 total cpu time spent up to now is 17.7 secs Computing kpt #: 23 total cpu time spent up to now is 18.2 secs Computing kpt #: 24 total cpu time spent up to now is 18.8 secs Computing kpt #: 25 total cpu time spent up to now is 19.3 secs Computing kpt #: 26 total cpu time spent up to now is 19.8 secs Computing kpt #: 27 total cpu time spent up to now is 20.4 secs Computing kpt #: 28 total cpu time spent up to now is 21.0 secs Computing kpt #: 29 total cpu time spent up to now is 21.6 secs Computing kpt #: 30 total cpu time spent up to now is 22.3 secs Computing kpt #: 31 total cpu time spent up to now is 23.0 secs Computing kpt #: 32 total cpu time spent up to now is 23.7 secs Computing kpt #: 33 total cpu time spent up to now is 24.4 secs Computing kpt #: 34 total cpu time spent up to now is 25.1 secs Computing kpt #: 35 total cpu time spent up to now is 25.9 secs Computing kpt #: 36 total cpu time spent up to now is 26.6 secs Computing kpt #: 37 total cpu time spent up to now is 27.4 secs Computing kpt #: 38 total cpu time spent up to now is 28.1 secs Computing kpt #: 39 total cpu time spent up to now is 28.8 secs Computing kpt #: 40 total cpu time spent up to now is 29.5 secs Computing kpt #: 41 total cpu time spent up to now is 30.3 secs Computing kpt #: 42 total cpu time spent up to now is 31.0 secs Computing kpt #: 43 total cpu time spent up to now is 31.7 secs Computing kpt #: 44 total cpu time spent up to now is 32.3 secs Computing kpt #: 45 total cpu time spent up to now is 32.9 secs Computing kpt #: 46 total cpu time spent up to now is 33.6 secs Computing kpt #: 47 total cpu time spent up to now is 34.4 secs Computing kpt #: 48 total cpu time spent up to now is 35.1 secs Computing kpt #: 49 total cpu time spent up to now is 35.9 secs Computing kpt #: 50 total cpu time spent up to now is 36.6 secs Computing kpt #: 51 total cpu time spent up to now is 37.3 secs Computing kpt #: 52 total cpu time spent up to now is 38.0 secs Computing kpt #: 53 total cpu time spent up to now is 38.7 secs Computing kpt #: 54 total cpu time spent up to now is 39.4 secs Computing kpt #: 55 total cpu time spent up to now is 40.1 secs Computing kpt #: 56 total cpu time spent up to now is 40.8 secs Computing kpt #: 57 total cpu time spent up to now is 41.4 secs Computing kpt #: 58 total cpu time spent up to now is 42.1 secs Computing kpt #: 59 total cpu time spent up to now is 42.8 secs Computing kpt #: 60 total cpu time spent up to now is 43.4 secs Computing kpt #: 61 total cpu time spent up to now is 44.1 secs Computing kpt #: 62 total cpu time spent up to now is 44.8 secs Computing kpt #: 63 total cpu time spent up to now is 45.4 secs Computing kpt #: 64 total cpu time spent up to now is 46.1 secs Computing kpt #: 65 total cpu time spent up to now is 46.8 secs Computing kpt #: 66 total cpu time spent up to now is 47.4 secs Computing kpt #: 67 total cpu time spent up to now is 48.1 secs Computing kpt #: 68 total cpu time spent up to now is 48.8 secs Computing kpt #: 69 total cpu time spent up to now is 49.4 secs Computing kpt #: 70 total cpu time spent up to now is 50.1 secs Computing kpt #: 71 total cpu time spent up to now is 50.8 secs Computing kpt #: 72 total cpu time spent up to now is 51.4 secs Computing kpt #: 73 total cpu time spent up to now is 52.1 secs Computing kpt #: 74 total cpu time spent up to now is 52.8 secs Computing kpt #: 75 total cpu time spent up to now is 53.4 secs Computing kpt #: 76 total cpu time spent up to now is 54.1 secs Computing kpt #: 77 total cpu time spent up to now is 54.7 secs Computing kpt #: 78 total cpu time spent up to now is 55.4 secs Computing kpt #: 79 total cpu time spent up to now is 56.0 secs Computing kpt #: 80 total cpu time spent up to now is 56.7 secs Computing kpt #: 81 total cpu time spent up to now is 57.3 secs Computing kpt #: 82 total cpu time spent up to now is 58.0 secs Computing kpt #: 83 total cpu time spent up to now is 58.7 secs Computing kpt #: 84 total cpu time spent up to now is 59.3 secs Computing kpt #: 85 total cpu time spent up to now is 60.0 secs Computing kpt #: 86 total cpu time spent up to now is 60.6 secs Computing kpt #: 87 total cpu time spent up to now is 61.2 secs Computing kpt #: 88 total cpu time spent up to now is 61.7 secs Computing kpt #: 89 total cpu time spent up to now is 62.2 secs Computing kpt #: 90 total cpu time spent up to now is 62.9 secs Computing kpt #: 91 total cpu time spent up to now is 63.7 secs Computing kpt #: 92 total cpu time spent up to now is 64.5 secs Computing kpt #: 93 total cpu time spent up to now is 65.1 secs Computing kpt #: 94 total cpu time spent up to now is 65.8 secs Computing kpt #: 95 total cpu time spent up to now is 66.4 secs Computing kpt #: 96 total cpu time spent up to now is 66.9 secs Computing kpt #: 97 total cpu time spent up to now is 67.5 secs Computing kpt #: 98 total cpu time spent up to now is 68.1 secs Computing kpt #: 99 total cpu time spent up to now is 68.6 secs Computing kpt #: 100 total cpu time spent up to now is 69.2 secs Computing kpt #: 101 total cpu time spent up to now is 69.8 secs Computing kpt #: 102 total cpu time spent up to now is 70.3 secs Computing kpt #: 103 total cpu time spent up to now is 70.9 secs Computing kpt #: 104 total cpu time spent up to now is 71.5 secs Computing kpt #: 105 total cpu time spent up to now is 72.1 secs Computing kpt #: 106 total cpu time spent up to now is 72.6 secs Computing kpt #: 107 total cpu time spent up to now is 73.2 secs Computing kpt #: 108 total cpu time spent up to now is 73.7 secs Computing kpt #: 109 total cpu 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83.6 secs Computing kpt #: 125 total cpu time spent up to now is 84.2 secs Computing kpt #: 126 total cpu time spent up to now is 84.7 secs Computing kpt #: 127 total cpu time spent up to now is 85.3 secs Computing kpt #: 128 total cpu time spent up to now is 85.8 secs Computing kpt #: 129 total cpu time spent up to now is 86.4 secs Computing kpt #: 130 total cpu time spent up to now is 86.9 secs Computing kpt #: 131 total cpu time spent up to now is 87.5 secs Computing kpt #: 132 total cpu time spent up to now is 88.0 secs Computing kpt #: 133 total cpu time spent up to now is 88.6 secs Computing kpt #: 134 total cpu time spent up to now is 89.2 secs Computing kpt #: 135 total cpu time spent up to now is 89.9 secs Computing kpt #: 136 total cpu time spent up to now is 90.5 secs Computing kpt #: 137 total cpu time spent up to now is 91.2 secs Computing kpt #: 138 total cpu time spent up to now is 91.8 secs Computing kpt #: 139 total cpu time spent up to now is 92.5 secs Computing kpt #: 140 total cpu time spent up to now is 93.3 secs Computing kpt #: 141 total cpu time spent up to now is 94.0 secs Computing kpt #: 142 total cpu time spent up to now is 94.7 secs Computing kpt #: 143 total cpu time spent up to now is 95.6 secs Computing kpt #: 144 total cpu time spent up to now is 96.7 secs Computing kpt #: 145 total cpu time spent up to now is 97.7 secs Computing kpt #: 146 total cpu time spent up to now is 98.7 secs Computing kpt #: 147 total cpu time spent up to now is 99.5 secs Computing kpt #: 148 total cpu time spent up to now is 100.5 secs Computing kpt #: 149 total cpu time spent up to now is 101.3 secs Computing kpt #: 150 total cpu time spent up to now is 102.2 secs Computing kpt #: 151 total cpu time spent up to now is 103.1 secs Computing kpt #: 152 total cpu time spent up to now is 104.0 secs Computing kpt #: 153 total cpu time spent up to now is 104.9 secs Computing kpt #: 154 total cpu time spent up to now is 105.8 secs Computing kpt #: 155 total cpu time spent up to now is 106.6 secs Computing kpt #: 156 total cpu time spent up to now is 107.5 secs Computing kpt #: 157 total cpu time spent up to now is 108.5 secs Computing kpt #: 158 total cpu time spent up to now is 109.4 secs Computing kpt #: 159 total cpu time spent up to now is 110.3 secs Computing kpt #: 160 total cpu time spent up to now is 111.3 secs Computing kpt #: 161 total cpu time spent up to now is 112.2 secs Computing kpt #: 162 total cpu time spent up to now is 113.1 secs Computing kpt #: 163 total cpu time spent up to now is 114.0 secs Computing kpt #: 164 total cpu time spent up to now is 114.9 secs Computing kpt #: 165 total cpu time spent up to now is 115.8 secs Computing kpt #: 166 total cpu time spent up to now is 116.3 secs Computing kpt #: 167 total cpu time spent up to now is 116.9 secs Computing kpt #: 168 total cpu time spent up to now is 117.8 secs Computing kpt #: 169 total cpu time spent up to now is 119.0 secs Computing kpt #: 170 total cpu time spent up to now is 120.3 secs Computing kpt #: 171 total cpu time spent up to now is 121.0 secs Computing kpt #: 172 total cpu time spent up to now is 121.8 secs Computing kpt #: 173 total cpu time spent up to now is 122.5 secs Computing kpt #: 174 total cpu time spent up to now is 123.2 secs Computing kpt #: 175 total cpu time spent up to now is 123.8 secs Computing kpt #: 176 total cpu time spent up to now is 124.4 secs Computing kpt #: 177 total cpu time spent up to now is 125.0 secs Computing kpt #: 178 total cpu time spent up to now is 125.6 secs Computing kpt #: 179 total cpu time spent up to now is 126.1 secs Computing kpt #: 180 total cpu time spent up to now is 126.6 secs Computing kpt #: 181 total cpu time spent up to now is 127.1 secs Computing kpt #: 182 total cpu time spent up to now is 127.6 secs Computing kpt #: 183 total cpu time spent up to now is 128.1 secs Computing kpt #: 184 total cpu time spent up to now is 128.6 secs Computing kpt #: 185 total cpu time spent up to now is 129.1 secs Computing kpt #: 186 total cpu time spent up to now is 129.6 secs Computing kpt #: 187 total cpu time spent up to now is 130.1 secs Computing kpt #: 188 total cpu time spent up to now is 130.7 secs Computing kpt #: 189 total cpu time spent up to now is 131.2 secs Computing kpt #: 190 total cpu time spent up to now is 131.7 secs Computing kpt #: 191 total cpu time spent up to now is 132.2 secs Computing kpt #: 192 total cpu time spent up to now is 132.7 secs Computing kpt #: 193 total cpu time spent up to now is 133.2 secs Computing kpt #: 194 total cpu time spent up to now is 133.8 secs Computing kpt #: 195 total cpu time spent up to now is 134.4 secs Computing kpt #: 196 total cpu time spent up to now is 135.0 secs Computing kpt #: 197 total cpu time spent up to now is 135.7 secs Computing kpt #: 198 total cpu time spent up to now is 136.4 secs Computing kpt #: 199 total cpu time spent up to now is 137.0 secs Computing kpt #: 200 total cpu time spent up to now is 137.8 secs Computing kpt #: 201 total cpu time spent up to now is 138.5 secs Computing kpt #: 202 total cpu time spent up to now is 139.2 secs Computing kpt #: 203 total cpu time spent up to now is 140.0 secs Computing kpt #: 204 total cpu time spent up to now is 140.7 secs Computing kpt #: 205 total cpu time spent up to now is 141.5 secs Computing kpt #: 206 total cpu time spent up to now is 142.2 secs Computing kpt #: 207 total cpu time spent up to now is 143.0 secs Computing kpt #: 208 total cpu time spent up to now is 143.7 secs Computing kpt #: 209 total cpu time spent up to now is 144.5 secs Computing kpt #: 210 total cpu time spent up to now is 145.1 secs Computing kpt #: 211 total cpu time spent up to now is 145.7 secs Computing kpt #: 212 total cpu time spent up to now is 146.4 secs Computing kpt #: 213 total cpu time spent up to now is 147.1 secs Computing kpt #: 214 total cpu time spent up to now is 147.8 secs Computing kpt #: 215 total cpu time spent up to now is 148.5 secs Computing kpt #: 216 total cpu time spent up to now is 149.2 secs Computing kpt #: 217 total cpu time spent up to now is 149.9 secs Computing kpt #: 218 total cpu time spent up to now is 150.6 secs Computing kpt #: 219 total cpu time spent up to now is 151.2 secs Computing kpt #: 220 total cpu time spent up to now is 151.9 secs Computing kpt #: 221 total cpu time spent up to now is 152.5 secs Computing kpt #: 222 total cpu time spent up to now is 153.2 secs Computing kpt #: 223 total cpu time spent up to now is 153.8 secs Computing kpt #: 224 total cpu time spent up to now is 154.5 secs Computing kpt #: 225 total cpu time spent up to now is 155.2 secs Computing kpt #: 226 total cpu time spent up to now is 155.8 secs Computing kpt #: 227 total cpu time spent up to now is 156.5 secs Computing kpt #: 228 total cpu time spent up to now is 157.1 secs Computing kpt #: 229 total cpu time spent up to now is 157.8 secs Computing kpt #: 230 total cpu time spent up to now is 158.5 secs Computing kpt #: 231 total cpu time spent up to now is 159.2 secs Computing kpt #: 232 total cpu time spent up to now is 159.9 secs Computing kpt #: 233 total cpu time spent up to now is 160.5 secs Computing kpt #: 234 total cpu time spent up to now is 161.2 secs Computing kpt #: 235 total cpu time spent up to now is 161.9 secs Computing kpt #: 236 total cpu time spent up to now is 162.5 secs Computing kpt #: 237 total cpu time spent up to now is 163.2 secs Computing kpt #: 238 total cpu time spent up to now is 163.9 secs Computing kpt #: 239 total cpu time spent up to now is 164.5 secs Computing kpt #: 240 total cpu time spent up to now is 165.2 secs Computing kpt #: 241 total cpu time spent up to now is 165.9 secs Computing kpt #: 242 total cpu time spent up to now is 166.5 secs Computing kpt #: 243 total cpu time spent up to now is 167.2 secs Computing kpt #: 244 total cpu time spent up to now is 167.9 secs Computing kpt #: 245 total cpu time spent up to now is 168.6 secs Computing kpt #: 246 total cpu time spent up to now is 169.3 secs Computing kpt #: 247 total cpu time spent up to now is 169.9 secs Computing kpt #: 248 total cpu time spent up to now is 170.5 secs Computing kpt #: 249 total cpu time spent up to now is 171.1 secs Computing kpt #: 250 total cpu time spent up to now is 171.7 secs Computing kpt #: 251 total cpu time spent up to now is 172.3 secs Computing kpt #: 252 total cpu time spent up to now is 172.9 secs Computing kpt #: 253 total cpu time spent up to now is 173.4 secs Computing kpt #: 254 total cpu time spent up to now is 174.0 secs Computing kpt #: 255 total cpu time spent up to now is 174.5 secs Computing kpt #: 256 total cpu time spent up to now is 175.1 secs Computing kpt #: 257 total cpu time spent up to now is 175.7 secs Computing kpt #: 258 total cpu time spent up to now is 176.3 secs Computing kpt #: 259 total cpu time spent up to now is 176.9 secs Computing kpt #: 260 total cpu time spent up to now is 177.5 secs Computing kpt #: 261 total cpu time spent up to now is 178.1 secs Computing kpt #: 262 total cpu time spent up to now is 178.7 secs Computing kpt #: 263 total cpu time spent up to now is 179.4 secs Computing kpt #: 264 total cpu time spent up to now is 180.0 secs Computing kpt #: 265 total cpu time spent up to now is 180.6 secs Computing kpt #: 266 total cpu time spent up to now is 181.2 secs Computing kpt #: 267 total cpu time spent up to now is 181.9 secs Computing kpt #: 268 total cpu time spent up to now is 182.5 secs Computing kpt #: 269 total cpu time spent up to now is 183.2 secs Computing kpt #: 270 total cpu time spent up to now is 183.9 secs Computing kpt #: 271 total cpu time spent up to now is 184.6 secs Computing kpt #: 272 total cpu time spent up to now is 185.2 secs Computing kpt #: 273 total cpu time spent up to now is 185.9 secs Computing kpt #: 274 total cpu time spent up to now is 186.6 secs Computing kpt #: 275 total cpu time spent up to now is 187.3 secs Computing kpt #: 276 total cpu time spent up to now is 188.0 secs Computing kpt #: 277 total cpu time spent up to now is 188.6 secs Computing kpt #: 278 total cpu time spent up to now is 189.3 secs Computing kpt #: 279 total cpu time spent up to now is 189.9 secs Computing kpt #: 280 total cpu time spent up to now is 190.6 secs Computing kpt #: 281 total cpu time spent up to now is 191.2 secs Computing kpt #: 282 total cpu time spent up to now is 191.9 secs Computing kpt #: 283 total cpu time spent up to now is 192.5 secs Computing kpt #: 284 total cpu time spent up to now is 193.1 secs Computing kpt #: 285 total cpu time spent up to now is 193.8 secs Computing kpt #: 286 total cpu time spent up to now is 194.5 secs Computing kpt #: 287 total cpu time spent up to now is 195.1 secs Computing kpt #: 288 total cpu time spent up to now is 195.8 secs Computing kpt #: 289 total cpu time spent up to now is 196.5 secs Computing kpt #: 290 total cpu time spent up to now is 197.1 secs Computing kpt #: 291 total cpu time spent up to now is 197.8 secs Computing kpt #: 292 total cpu time spent up to now is 198.5 secs Computing kpt #: 293 total cpu time spent up to now is 199.2 secs Computing kpt #: 294 total cpu time spent up to now is 199.8 secs Computing kpt #: 295 total cpu time spent up to now is 200.5 secs Computing kpt #: 296 total cpu time spent up to now is 201.2 secs Computing kpt #: 297 total cpu time spent up to now is 201.9 secs Computing kpt #: 298 total cpu time spent up to now is 202.6 secs Computing kpt #: 299 total cpu time spent up to now is 203.2 secs Computing kpt #: 300 total cpu time spent up to now is 203.9 secs Computing kpt #: 301 total cpu time spent up to now is 204.7 secs Computing kpt #: 302 total cpu time spent up to now is 205.4 secs Computing kpt #: 303 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.1 secs Computing kpt #: 304 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.8 secs Computing kpt #: 305 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.5 secs Computing kpt #: 306 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.2 secs Computing kpt #: 307 total cpu time spent up to now is 212.9 secs Computing kpt #: 308 total cpu time spent up to now is 214.1 secs Computing kpt #: 309 total cpu time spent up to now is 215.2 secs Computing kpt #: 310 total cpu time spent up to now is 216.2 secs Computing kpt #: 311 total cpu time spent up to now is 216.8 secs Computing kpt #: 312 total cpu time spent up to now is 217.4 secs Computing kpt #: 313 total cpu time spent up to now is 218.0 secs Computing kpt #: 314 total cpu time spent up to now is 218.6 secs Computing kpt #: 315 total cpu time spent up to now is 219.1 secs Computing kpt #: 316 total cpu time spent up to now is 219.6 secs Computing kpt #: 317 total cpu time spent up to now is 220.1 secs Computing kpt #: 318 total cpu time spent up to now is 220.7 secs Computing kpt #: 319 total cpu time spent up to now is 221.3 secs Computing kpt #: 320 total cpu time spent up to now is 221.9 secs Computing kpt #: 321 total cpu time spent up to now is 222.4 secs Computing kpt #: 322 total cpu time spent up to now is 223.0 secs Computing kpt #: 323 total cpu time spent up to now is 223.6 secs Computing kpt #: 324 total cpu time spent up to now is 224.2 secs Computing kpt #: 325 total cpu time spent up to now is 224.8 secs Computing kpt #: 326 total cpu time spent up to now is 225.4 secs Computing kpt #: 327 total cpu time spent up to now is 226.0 secs Computing kpt #: 328 total cpu time spent up to now is 226.6 secs Computing kpt #: 329 total cpu time spent up to now is 227.2 secs Computing kpt #: 330 total cpu time spent up to now is 227.8 secs Computing kpt #: 331 total cpu time spent up to now is 228.3 secs Computing kpt #: 332 total cpu time spent up to now is 228.9 secs Computing kpt #: 333 total cpu time spent up to now is 229.4 secs Computing kpt #: 334 total cpu time spent up to now is 229.8 secs Computing kpt #: 335 total cpu time spent up to now is 230.3 secs Computing kpt #: 336 total cpu time spent up to now is 230.8 secs Computing kpt #: 337 total cpu time spent up to now is 231.3 secs Computing kpt #: 338 total cpu time spent up to now is 231.8 secs Computing kpt #: 339 total cpu time spent up to now is 232.3 secs Computing kpt #: 340 total cpu time spent up to now is 232.8 secs Computing kpt #: 341 total cpu time spent up to now is 233.3 secs Computing kpt #: 342 total cpu time spent up to now is 233.8 secs Computing kpt #: 343 total cpu time spent up to now is 234.3 secs Computing kpt #: 344 total cpu time spent up to now is 234.8 secs Computing kpt #: 345 total cpu time spent up to now is 235.3 secs Computing kpt #: 346 total cpu time spent up to now is 235.8 secs Computing kpt #: 347 total cpu time spent up to now is 236.4 secs Computing kpt #: 348 total cpu time spent up to now is 236.9 secs ethr = 1.92E-08, avg # of iterations = 26.3 total cpu time spent up to now is 236.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -12.2121 -12.2121 -12.0122 -12.0122 -11.7280 -11.7280 -11.5015 -11.5015 -3.5188 -3.5188 -3.4962 -3.4962 -3.4211 -3.4211 -3.3843 -3.3843 -3.2104 -3.2104 -3.1172 -3.1172 -3.0993 -3.0993 -3.0331 -3.0331 -2.7535 -2.7535 -2.7393 -2.7393 -1.2189 -1.2189 -0.7279 -0.7279 0.3156 0.3156 0.3774 0.3774 0.5412 0.5412 0.6022 0.6022 0.8041 0.8041 1.5323 1.5323 1.5882 1.5882 1.7275 1.7275 1.8516 1.8516 1.8917 1.8917 5.7005 5.7005 6.9202 6.9202 7.6630 7.6630 8.1045 8.1045 10.5894 10.5894 k = 0.0000 0.0116-0.0000 ( 5207 PWs) bands (ev): -12.2117 -12.2117 -12.0118 -12.0118 -11.7278 -11.7278 -11.5014 -11.5014 -3.5187 -3.5187 -3.4961 -3.4961 -3.4212 -3.4212 -3.3841 -3.3841 -3.2103 -3.2103 -3.1169 -3.1169 -3.0990 -3.0990 -3.0330 -3.0330 -2.7536 -2.7536 -2.7395 -2.7395 -1.2189 -1.2189 -0.7294 -0.7294 0.3148 0.3148 0.3765 0.3765 0.5368 0.5368 0.5978 0.5978 0.8103 0.8103 1.5318 1.5318 1.5876 1.5876 1.7266 1.7266 1.8501 1.8501 1.8901 1.8901 5.7046 5.7046 6.9219 6.9219 7.6666 7.6666 8.1079 8.1079 10.5916 10.5916 k = 0.0000 0.0233-0.0000 ( 5205 PWs) bands (ev): -12.2104 -12.2104 -12.0108 -12.0108 -11.7273 -11.7273 -11.5014 -11.5014 -3.5187 -3.5187 -3.4957 -3.4957 -3.4216 -3.4216 -3.3832 -3.3832 -3.2100 -3.2100 -3.1161 -3.1161 -3.0980 -3.0980 -3.0324 -3.0324 -2.7540 -2.7540 -2.7398 -2.7398 -1.2189 -1.2189 -0.7340 -0.7340 0.3119 0.3119 0.3745 0.3745 0.5211 0.5211 0.5898 0.5898 0.8265 0.8265 1.5301 1.5301 1.5859 1.5859 1.7240 1.7240 1.8451 1.8451 1.8859 1.8859 5.7167 5.7167 6.9268 6.9268 7.6772 7.6772 8.1182 8.1182 10.5980 10.5980 k = 0.0000 0.0349-0.0000 ( 5217 PWs) bands (ev): -12.2081 -12.2081 -12.0090 -12.0090 -11.7265 -11.7265 -11.5012 -11.5012 -3.5187 -3.5187 -3.4951 -3.4951 -3.4223 -3.4223 -3.3818 -3.3818 -3.2096 -3.2096 -3.1149 -3.1149 -3.0964 -3.0964 -3.0315 -3.0315 -2.7547 -2.7547 -2.7404 -2.7404 -1.2189 -1.2189 -0.7416 -0.7416 0.3060 0.3060 0.3724 0.3724 0.4915 0.4915 0.5854 0.5854 0.8479 0.8479 1.5270 1.5270 1.5835 1.5835 1.7194 1.7194 1.8354 1.8354 1.8808 1.8808 5.7366 5.7366 6.9348 6.9348 7.6952 7.6952 8.1351 8.1351 10.6086 10.6086 k = 0.0000 0.0465-0.0000 ( 5217 PWs) bands (ev): -12.2050 -12.2050 -12.0066 -12.0066 -11.7253 -11.7253 -11.5011 -11.5011 -3.5186 -3.5186 -3.4942 -3.4942 -3.4231 -3.4231 -3.3799 -3.3799 -3.2089 -3.2089 -3.1132 -3.1132 -3.0941 -3.0941 -3.0301 -3.0301 -2.7557 -2.7557 -2.7412 -2.7412 -1.2190 -1.2190 -0.7524 -0.7524 0.2958 0.2958 0.3716 0.3716 0.4510 0.4510 0.5852 0.5852 0.8712 0.8712 1.5223 1.5223 1.5807 1.5807 1.7127 1.7127 1.8201 1.8201 1.8761 1.8761 5.7640 5.7640 6.9453 6.9453 7.7204 7.7204 8.1586 8.1586 10.6229 10.6230 k = 0.0000 0.0581-0.0000 ( 5215 PWs) bands (ev): -12.2010 -12.2010 -12.0035 -12.0035 -11.7237 -11.7237 -11.5009 -11.5009 -3.5185 -3.5185 -3.4931 -3.4931 -3.4240 -3.4240 -3.3776 -3.3776 -3.2080 -3.2080 -3.1111 -3.1111 -3.0911 -3.0911 -3.0283 -3.0283 -2.7569 -2.7569 -2.7422 -2.7422 -1.2192 -1.2192 -0.7663 -0.7663 0.2807 0.2807 0.3729 0.3729 0.4033 0.4033 0.5877 0.5877 0.8944 0.8944 1.5155 1.5155 1.5781 1.5781 1.7035 1.7035 1.7994 1.7994 1.8723 1.8723 5.7982 5.7982 6.9580 6.9580 7.7530 7.7530 8.1887 8.1887 10.6258 10.6258 k = 0.0000 0.0698-0.0000 ( 5215 PWs) bands (ev): -12.1961 -12.1961 -11.9997 -11.9997 -11.7219 -11.7219 -11.5007 -11.5007 -3.5184 -3.5184 -3.4917 -3.4917 -3.4250 -3.4250 -3.3748 -3.3748 -3.2069 -3.2069 -3.1086 -3.1086 -3.0875 -3.0875 -3.0260 -3.0260 -2.7583 -2.7583 -2.7434 -2.7434 -1.2196 -1.2196 -0.7835 -0.7835 0.2610 0.2610 0.3501 0.3501 0.3769 0.3769 0.5919 0.5919 0.9164 0.9164 1.5065 1.5065 1.5759 1.5759 1.6913 1.6913 1.7749 1.7749 1.8690 1.8690 5.8387 5.8387 6.9723 6.9723 7.7930 7.7930 8.2250 8.2250 10.6196 10.6196 k = 0.0000 0.0814-0.0000 ( 5217 PWs) bands (ev): -12.1904 -12.1904 -11.9953 -11.9953 -11.7197 -11.7197 -11.5004 -11.5004 -3.5183 -3.5183 -3.4900 -3.4900 -3.4261 -3.4261 -3.3717 -3.3717 -3.2055 -3.2055 -3.1059 -3.1059 -3.0832 -3.0832 -3.0233 -3.0233 -2.7600 -2.7600 -2.7448 -2.7448 -1.2203 -1.2203 -0.8040 -0.8040 0.2374 0.2374 0.2936 0.2936 0.3826 0.3826 0.5975 0.5975 0.9366 0.9366 1.4954 1.4954 1.5744 1.5744 1.6749 1.6749 1.7486 1.7486 1.8661 1.8661 5.8848 5.8848 6.9876 6.9876 7.8405 7.8405 8.2674 8.2674 10.6098 10.6098 k = 0.0000 0.0930-0.0000 ( 5213 PWs) bands (ev): -12.1838 -12.1838 -11.9903 -11.9903 -11.7173 -11.7173 -11.5002 -11.5002 -3.5181 -3.5181 -3.4880 -3.4880 -3.4272 -3.4272 -3.3683 -3.3683 -3.2040 -3.2040 -3.1029 -3.1029 -3.0783 -3.0783 -3.0201 -3.0201 -2.7620 -2.7620 -2.7464 -2.7464 -1.2214 -1.2214 -0.8280 -0.8280 0.2104 0.2104 0.2340 0.2340 0.3900 0.3900 0.6042 0.6042 0.9545 0.9545 1.4825 1.4825 1.5734 1.5734 1.6532 1.6532 1.7228 1.7228 1.8633 1.8633 5.9357 5.9357 7.0034 7.0034 7.8952 7.8952 8.3155 8.3155 10.5955 10.5955 k = 0.0000 0.1047-0.0000 ( 5221 PWs) bands (ev): -12.1764 -12.1764 -11.9846 -11.9846 -11.7145 -11.7145 -11.5000 -11.5000 -3.5179 -3.5179 -3.4858 -3.4858 -3.4283 -3.4283 -3.3646 -3.3646 -3.2022 -3.2022 -3.0998 -3.0998 -3.0727 -3.0727 -3.0163 -3.0163 -2.7641 -2.7641 -2.7482 -2.7482 -1.2231 -1.2231 -0.8553 -0.8553 0.1717 0.1717 0.1812 0.1812 0.3989 0.3989 0.6118 0.6118 0.9698 0.9698 1.4679 1.4679 1.5726 1.5726 1.6256 1.6256 1.6990 1.6990 1.8604 1.8604 5.9907 5.9907 7.0193 7.0193 7.9568 7.9568 8.3690 8.3690 10.5760 10.5760 k = 0.0000 0.1163-0.0000 ( 5221 PWs) bands (ev): -12.1683 -12.1683 -11.9784 -11.9784 -11.7115 -11.7115 -11.4998 -11.4998 -3.5176 -3.5176 -3.4833 -3.4833 -3.4294 -3.4294 -3.3607 -3.3607 -3.2001 -3.2001 -3.0967 -3.0967 -3.0665 -3.0665 -3.0120 -3.0120 -2.7664 -2.7664 -2.7499 -2.7499 -1.2255 -1.2255 -0.8862 -0.8862 0.1083 0.1083 0.1494 0.1494 0.4092 0.4092 0.6204 0.6204 0.9822 0.9822 1.4522 1.4522 1.5700 1.5700 1.5952 1.5952 1.6771 1.6771 1.8574 1.8574 6.0490 6.0490 7.0348 7.0348 8.0250 8.0250 8.4276 8.4276 10.5508 10.5508 k = 0.0000 0.1279-0.0000 ( 5219 PWs) bands (ev): -12.1593 -12.1593 -11.9715 -11.9715 -11.7083 -11.7083 -11.4997 -11.4997 -3.5173 -3.5173 -3.4805 -3.4805 -3.4304 -3.4304 -3.3565 -3.3565 -3.1979 -3.1979 -3.0935 -3.0935 -3.0596 -3.0596 -3.0070 -3.0070 -2.7688 -2.7688 -2.7519 -2.7519 -1.2288 -1.2288 -0.9206 -0.9206 0.0435 0.0435 0.1162 0.1162 0.4207 0.4207 0.6298 0.6298 0.9911 0.9911 1.4357 1.4357 1.5500 1.5500 1.5795 1.5795 1.6561 1.6561 1.8542 1.8542 6.1099 6.1099 7.0498 7.0498 8.0992 8.0992 8.4907 8.4907 10.5202 10.5202 k = 0.0000 0.1395-0.0000 ( 5221 PWs) bands (ev): -12.1496 -12.1496 -11.9642 -11.9642 -11.7048 -11.7048 -11.4996 -11.4996 -3.5170 -3.5170 -3.4775 -3.4775 -3.4314 -3.4314 -3.3521 -3.3521 -3.1954 -3.1954 -3.0905 -3.0905 -3.0521 -3.0521 -3.0016 -3.0016 -2.7714 -2.7714 -2.7540 -2.7540 -1.2335 -1.2335 -0.9584 -0.9584 -0.0216 -0.0216 0.0819 0.0819 0.4332 0.4332 0.6399 0.6399 0.9961 0.9961 1.4187 1.4187 1.5150 1.5150 1.5783 1.5783 1.6348 1.6348 1.8509 1.8509 6.1727 6.1727 7.0640 7.0640 8.1787 8.1787 8.5580 8.5580 10.4845 10.4845 k = 0.0000 0.1512-0.0000 ( 5211 PWs) bands (ev): -12.1391 -12.1391 -11.9563 -11.9563 -11.7012 -11.7012 -11.4996 -11.4996 -3.5165 -3.5165 -3.4740 -3.4740 -3.4323 -3.4323 -3.3474 -3.3474 -3.1926 -3.1926 -3.0875 -3.0875 -3.0439 -3.0439 -2.9955 -2.9955 -2.7740 -2.7740 -2.7560 -2.7560 -1.2397 -1.2397 -0.9996 -0.9996 -0.0866 -0.0866 0.0470 0.0470 0.4468 0.4468 0.6507 0.6507 0.9964 0.9964 1.4016 1.4016 1.4794 1.4794 1.5788 1.5788 1.6128 1.6128 1.8474 1.8474 6.2368 6.2368 7.0772 7.0772 8.2629 8.2629 8.6286 8.6286 10.4447 10.4447 k = 0.0000 0.1628-0.0000 ( 5211 PWs) bands (ev): -12.1280 -12.1280 -11.9480 -11.9480 -11.6974 -11.6974 -11.4997 -11.4997 -3.5160 -3.5160 -3.4704 -3.4704 -3.4332 -3.4332 -3.3426 -3.3426 -3.1897 -3.1897 -3.0846 -3.0846 -3.0352 -3.0352 -2.9890 -2.9890 -2.7767 -2.7767 -2.7581 -2.7581 -1.2478 -1.2478 -1.0440 -1.0440 -0.1508 -0.1508 0.0117 0.0117 0.4613 0.4613 0.6621 0.6621 0.9914 0.9914 1.3845 1.3845 1.4459 1.4459 1.5790 1.5790 1.5906 1.5906 1.8437 1.8437 6.3014 6.3014 7.0894 7.0894 8.3510 8.3510 8.7022 8.7022 10.4021 10.4021 k = 0.0000 0.1744-0.0000 ( 5207 PWs) bands (ev): -12.1162 -12.1162 -11.9392 -11.9392 -11.6934 -11.6934 -11.4999 -11.4999 -3.5154 -3.5154 -3.4664 -3.4664 -3.4339 -3.4339 -3.3376 -3.3376 -3.1865 -3.1865 -3.0818 -3.0818 -3.0260 -3.0260 -2.9820 -2.9820 -2.7794 -2.7794 -2.7602 -2.7602 -1.2585 -1.2585 -1.0915 -1.0915 -0.2132 -0.2132 -0.0238 -0.0238 0.4766 0.4766 0.6741 0.6741 0.9805 0.9805 1.3677 1.3677 1.4163 1.4163 1.5635 1.5635 1.5831 1.5831 1.8397 1.8397 6.3660 6.3660 7.1005 7.1005 8.4421 8.4421 8.7777 8.7777 10.3581 10.3581 k = 0.0000 0.1860-0.0000 ( 5201 PWs) bands (ev): -12.1038 -12.1038 -11.9300 -11.9300 -11.6893 -11.6893 -11.5003 -11.5003 -3.5147 -3.5147 -3.4622 -3.4622 -3.4345 -3.4345 -3.3325 -3.3325 -3.1830 -3.1830 -3.0792 -3.0792 -3.0163 -3.0163 -2.9746 -2.9746 -2.7821 -2.7821 -2.7623 -2.7623 -1.2721 -1.2721 -1.1417 -1.1417 -0.2732 -0.2732 -0.0591 -0.0591 0.4928 0.4928 0.6866 0.6866 0.9631 0.9631 1.3514 1.3514 1.3915 1.3915 1.5380 1.5380 1.5844 1.5844 1.8355 1.8355 6.4301 6.4301 7.1104 7.1104 8.5355 8.5355 8.8545 8.8545 10.3144 10.3144 k = 0.0000 0.1977-0.0000 ( 5201 PWs) bands (ev): -12.0908 -12.0908 -11.9204 -11.9204 -11.6851 -11.6851 -11.5009 -11.5009 -3.5140 -3.5140 -3.4577 -3.4577 -3.4349 -3.4349 -3.3271 -3.3271 -3.1795 -3.1795 -3.0767 -3.0767 -3.0062 -3.0062 -2.9668 -2.9668 -2.7847 -2.7847 -2.7643 -2.7643 -1.2892 -1.2892 -1.1944 -1.1944 -0.3299 -0.3299 -0.0942 -0.0942 0.5096 0.5096 0.6995 0.6995 0.9395 0.9395 1.3357 1.3357 1.3720 1.3720 1.5108 1.5108 1.5862 1.5862 1.8311 1.8311 6.4931 6.4931 7.1192 7.1192 8.6304 8.6304 8.9316 8.9316 10.2726 10.2726 k = 0.0000 0.2093-0.0000 ( 5201 PWs) bands (ev): -12.0772 -12.0772 -11.9105 -11.9105 -11.6808 -11.6808 -11.5017 -11.5017 -3.5131 -3.5131 -3.4532 -3.4532 -3.4349 -3.4349 -3.3216 -3.3216 -3.1757 -3.1757 -3.0743 -3.0743 -2.9957 -2.9957 -2.9588 -2.9588 -2.7872 -2.7872 -2.7662 -2.7662 -1.3103 -1.3103 -1.2494 -1.2494 -0.3825 -0.3825 -0.1288 -0.1288 0.5271 0.5271 0.7128 0.7128 0.9103 0.9103 1.3208 1.3208 1.3576 1.3576 1.4821 1.4821 1.5881 1.5881 1.8264 1.8264 6.5546 6.5546 7.1268 7.1268 8.7261 8.7261 9.0077 9.0077 10.2344 10.2344 k = 0.0000 0.2209-0.0000 ( 5201 PWs) bands (ev): -12.0632 -12.0632 -11.9003 -11.9003 -11.6765 -11.6765 -11.5027 -11.5027 -3.5121 -3.5121 -3.4490 -3.4490 -3.4343 -3.4343 -3.3159 -3.3159 -3.1718 -3.1718 -3.0719 -3.0719 -2.9849 -2.9849 -2.9505 -2.9505 -2.7896 -2.7896 -2.7679 -2.7679 -1.3360 -1.3360 -1.3061 -1.3061 -0.4303 -0.4303 -0.1630 -0.1630 0.5452 0.5452 0.7263 0.7263 0.8765 0.8765 1.3068 1.3068 1.3475 1.3475 1.4524 1.4524 1.5902 1.5902 1.8215 1.8215 6.6142 6.6142 7.1332 7.1332 8.8217 8.8217 9.0818 9.0818 10.2015 10.2015 k = 0.0000 0.2326-0.0000 ( 5203 PWs) bands (ev): -12.0486 -12.0486 -11.8899 -11.8899 -11.6722 -11.6722 -11.5039 -11.5039 -3.5109 -3.5109 -3.4457 -3.4457 -3.4322 -3.4322 -3.3100 -3.3100 -3.1677 -3.1677 -3.0696 -3.0696 -2.9740 -2.9740 -2.9422 -2.9422 -2.7917 -2.7917 -2.7693 -2.7693 -1.3674 -1.3674 -1.3635 -1.3635 -0.4729 -0.4729 -0.1965 -0.1965 0.5637 0.5637 0.7400 0.7400 0.8395 0.8395 1.2939 1.2939 1.3406 1.3406 1.4217 1.4217 1.5924 1.5924 1.8163 1.8163 6.6714 6.6714 7.1385 7.1385 8.9168 8.9168 9.1524 9.1524 10.1757 10.1757 k = 0.0000 0.2442-0.0000 ( 5197 PWs) bands (ev): -12.0336 -12.0336 -11.8793 -11.8793 -11.6679 -11.6679 -11.5054 -11.5054 -3.5097 -3.5097 -3.4439 -3.4439 -3.4282 -3.4282 -3.3040 -3.3040 -3.1635 -3.1635 -3.0673 -3.0673 -2.9629 -2.9629 -2.9338 -2.9338 -2.7934 -2.7934 -2.7705 -2.7705 -1.4242 -1.4242 -1.4016 -1.4016 -0.5098 -0.5098 -0.2295 -0.2295 0.5827 0.5827 0.7534 0.7534 0.8007 0.8007 1.2821 1.2821 1.3355 1.3355 1.3909 1.3909 1.5946 1.5946 1.8108 1.8108 6.7260 6.7260 7.1426 7.1426 9.0108 9.0108 9.2180 9.2180 10.1587 10.1587 k = 0.0000 0.2558-0.0000 ( 5187 PWs) bands (ev): -12.0183 -12.0183 -11.8685 -11.8685 -11.6637 -11.6637 -11.5072 -11.5072 -3.5083 -3.5083 -3.4432 -3.4432 -3.4226 -3.4226 -3.2978 -3.2978 -3.1592 -3.1592 -3.0650 -3.0650 -2.9518 -2.9518 -2.9255 -2.9255 -2.7947 -2.7947 -2.7714 -2.7714 -1.4845 -1.4845 -1.4420 -1.4420 -0.5409 -0.5409 -0.2616 -0.2616 0.6019 0.6019 0.7561 0.7561 0.7718 0.7718 1.2710 1.2710 1.3287 1.3287 1.3630 1.3630 1.5968 1.5968 1.8051 1.8051 6.7775 6.7775 7.1456 7.1456 9.1032 9.1032 9.2773 9.2773 10.1521 10.1521 k = 0.0000 0.2674-0.0000 ( 5187 PWs) bands (ev): -12.0026 -12.0026 -11.8576 -11.8576 -11.6596 -11.6596 -11.5094 -11.5094 -3.5068 -3.5068 -3.4432 -3.4432 -3.4160 -3.4160 -3.2914 -3.2914 -3.1548 -3.1548 -3.0627 -3.0627 -2.9408 -2.9408 -2.9173 -2.9173 -2.7956 -2.7956 -2.7718 -2.7718 -1.5452 -1.5452 -1.4868 -1.4868 -0.5666 -0.5666 -0.2930 -0.2930 0.6213 0.6213 0.7186 0.7186 0.7831 0.7831 1.2598 1.2598 1.3113 1.3113 1.3474 1.3474 1.5990 1.5990 1.7991 1.7991 6.8257 6.8257 7.1476 7.1476 9.1936 9.1936 9.3294 9.3294 10.1571 10.1571 k = 0.0000 0.2791-0.0000 ( 5181 PWs) bands (ev): -11.9866 -11.9866 -11.8467 -11.8467 -11.6556 -11.6556 -11.5119 -11.5119 -3.5052 -3.5052 -3.4434 -3.4434 -3.4087 -3.4087 -3.2849 -3.2849 -3.1503 -3.1503 -3.0603 -3.0603 -2.9302 -2.9302 -2.9092 -2.9092 -2.7960 -2.7960 -2.7718 -2.7718 -1.6061 -1.6061 -1.5355 -1.5355 -0.5873 -0.5873 -0.3236 -0.3236 0.6404 0.6404 0.6798 0.6798 0.7967 0.7967 1.2456 1.2456 1.2863 1.2863 1.3436 1.3436 1.6013 1.6013 1.7929 1.7929 6.8703 6.8703 7.1487 7.1487 9.2815 9.2815 9.3742 9.3742 10.1738 10.1738 k = 0.0000 0.2907-0.0000 ( 5199 PWs) bands (ev): -11.9704 -11.9704 -11.8358 -11.8358 -11.6517 -11.6517 -11.5147 -11.5147 -3.5035 -3.5035 -3.4438 -3.4438 -3.4009 -3.4009 -3.2784 -3.2784 -3.1458 -3.1458 -3.0578 -3.0578 -2.9204 -2.9204 -2.9012 -2.9012 -2.7958 -2.7958 -2.7713 -2.7713 -1.6668 -1.6668 -1.5875 -1.5875 -0.6034 -0.6034 -0.3532 -0.3532 0.6384 0.6384 0.6633 0.6633 0.8103 0.8103 1.2221 1.2221 1.2681 1.2681 1.3432 1.3432 1.6036 1.6036 1.7864 1.7864 6.9111 6.9111 7.1488 7.1488 9.3656 9.3656 9.4135 9.4135 10.2018 10.2018 k = 0.0000 0.3023-0.0000 ( 5203 PWs) bands (ev): -11.9540 -11.9540 -11.8249 -11.8249 -11.6481 -11.6481 -11.5180 -11.5180 -3.5016 -3.5016 -3.4443 -3.4443 -3.3926 -3.3926 -3.2717 -3.2717 -3.1412 -3.1412 -3.0553 -3.0553 -2.9116 -2.9116 -2.8929 -2.8929 -2.7951 -2.7951 -2.7700 -2.7700 -1.7269 -1.7269 -1.6421 -1.6421 -0.6157 -0.6157 -0.3818 -0.3818 0.6034 0.6034 0.6818 0.6818 0.8236 0.8236 1.1895 1.1895 1.2586 1.2586 1.3439 1.3439 1.6058 1.6058 1.7797 1.7797 6.9480 6.9480 7.1482 7.1482 9.4318 9.4318 9.4628 9.4628 10.2395 10.2395 k = 0.0000 0.3140-0.0000 ( 5207 PWs) bands (ev): -11.9375 -11.9375 -11.8141 -11.8141 -11.6446 -11.6446 -11.5216 -11.5216 -3.4996 -3.4996 -3.4448 -3.4448 -3.3838 -3.3838 -3.2650 -3.2650 -3.1365 -3.1365 -3.0525 -3.0525 -2.9041 -2.9041 -2.8841 -2.8841 -2.7939 -2.7939 -2.7679 -2.7679 -1.7863 -1.7863 -1.6984 -1.6984 -0.6249 -0.6249 -0.4092 -0.4092 0.5696 0.5696 0.7013 0.7013 0.8367 0.8367 1.1528 1.1528 1.2535 1.2535 1.3449 1.3449 1.6081 1.6081 1.7728 1.7728 6.9809 6.9809 7.1469 7.1469 9.4650 9.4650 9.5388 9.5388 10.2847 10.2847 k = 0.0000 0.3256-0.0000 ( 5205 PWs) bands (ev): -11.9210 -11.9210 -11.8035 -11.8035 -11.6414 -11.6414 -11.5257 -11.5257 -3.4976 -3.4976 -3.4454 -3.4454 -3.3747 -3.3747 -3.2583 -3.2583 -3.1316 -3.1316 -3.0497 -3.0497 -2.8980 -2.8980 -2.8749 -2.8749 -2.7922 -2.7922 -2.7648 -2.7648 -1.8446 -1.8446 -1.7558 -1.7558 -0.6315 -0.6315 -0.4355 -0.4355 0.5386 0.5386 0.7207 0.7207 0.8492 0.8492 1.1141 1.1141 1.2508 1.2508 1.3459 1.3459 1.6104 1.6104 1.7657 1.7657 7.0097 7.0097 7.1449 7.1449 9.4917 9.4917 9.6174 9.6174 10.3350 10.3350 k = 0.0000 0.3372-0.0000 ( 5205 PWs) bands (ev): -11.9044 -11.9044 -11.7931 -11.7931 -11.6385 -11.6385 -11.5302 -11.5302 -3.4954 -3.4954 -3.4460 -3.4460 -3.3652 -3.3652 -3.2518 -3.2518 -3.1267 -3.1267 -3.0467 -3.0467 -2.8930 -2.8930 -2.8654 -2.8654 -2.7902 -2.7902 -2.7608 -2.7608 -1.9015 -1.9015 -1.8137 -1.8137 -0.6362 -0.6362 -0.4605 -0.4605 0.5107 0.5107 0.7399 0.7399 0.8613 0.8613 1.0744 1.0744 1.2497 1.2497 1.3467 1.3467 1.6128 1.6128 1.7584 1.7584 7.0345 7.0345 7.1425 7.1425 9.5176 9.5176 9.6947 9.6947 10.3882 10.3882 k = 0.0000 0.3488-0.0000 ( 5201 PWs) bands (ev): -11.8878 -11.8878 -11.7830 -11.7830 -11.6358 -11.6358 -11.5351 -11.5351 -3.4931 -3.4931 -3.4467 -3.4467 -3.3555 -3.3555 -3.2455 -3.2455 -3.1215 -3.1215 -3.0437 -3.0437 -2.8889 -2.8889 -2.8558 -2.8558 -2.7879 -2.7879 -2.7560 -2.7560 -1.9568 -1.9568 -1.8714 -1.8714 -0.6396 -0.6396 -0.4842 -0.4842 0.4865 0.4865 0.7587 0.7587 0.8726 0.8726 1.0341 1.0341 1.2499 1.2499 1.3473 1.3473 1.6151 1.6151 1.7510 1.7510 7.0555 7.0555 7.1398 7.1398 9.5446 9.5446 9.7702 9.7702 10.4420 10.4420 k = 0.0000 0.3605-0.0000 ( 5201 PWs) bands (ev): -11.8714 -11.8714 -11.7732 -11.7732 -11.6334 -11.6334 -11.5405 -11.5405 -3.4908 -3.4908 -3.4475 -3.4475 -3.3455 -3.3455 -3.2397 -3.2397 -3.1161 -3.1161 -3.0406 -3.0406 -2.8853 -2.8853 -2.8464 -2.8464 -2.7854 -2.7854 -2.7504 -2.7504 -2.0102 -2.0102 -1.9284 -1.9284 -0.6419 -0.6419 -0.5064 -0.5064 0.4662 0.4662 0.7771 0.7771 0.8831 0.8831 0.9935 0.9935 1.2513 1.2513 1.3475 1.3475 1.6175 1.6175 1.7434 1.7434 7.0728 7.0728 7.1368 7.1368 9.5738 9.5738 9.8440 9.8440 10.4945 10.4945 k = 0.0000 0.3721-0.0000 ( 5201 PWs) bands (ev): -11.8552 -11.8552 -11.7638 -11.7638 -11.6314 -11.6314 -11.5462 -11.5462 -3.4885 -3.4885 -3.4484 -3.4484 -3.3355 -3.3355 -3.2344 -3.2344 -3.1103 -3.1103 -3.0375 -3.0375 -2.8819 -2.8819 -2.8372 -2.8372 -2.7826 -2.7826 -2.7442 -2.7442 -2.0615 -2.0615 -1.9843 -1.9843 -0.6437 -0.6437 -0.5270 -0.5270 0.4499 0.4499 0.7947 0.7947 0.8925 0.8925 0.9531 0.9531 1.2536 1.2536 1.3472 1.3472 1.6200 1.6200 1.7358 1.7358 7.0868 7.0868 7.1337 7.1337 9.6060 9.6060 9.9161 9.9161 10.5439 10.5439 k = 0.0000 0.3837-0.0000 ( 5193 PWs) bands (ev): -11.8392 -11.8392 -11.7549 -11.7549 -11.6296 -11.6296 -11.5524 -11.5524 -3.4861 -3.4861 -3.4493 -3.4493 -3.3253 -3.3253 -3.2299 -3.2299 -3.1041 -3.1041 -3.0345 -3.0345 -2.8784 -2.8784 -2.8284 -2.8284 -2.7795 -2.7795 -2.7375 -2.7375 -2.1104 -2.1104 -2.0385 -2.0385 -0.6451 -0.6451 -0.5461 -0.5461 0.4380 0.4380 0.8116 0.8116 0.8977 0.8977 0.9161 0.9161 1.2568 1.2568 1.3464 1.3464 1.6226 1.6226 1.7282 1.7282 7.0976 7.0976 7.1306 7.1306 9.6415 9.6415 9.9862 9.9862 10.5874 10.5874 k = 0.0000 0.3953-0.0000 ( 5201 PWs) bands (ev): -11.8236 -11.8236 -11.7465 -11.7465 -11.6281 -11.6281 -11.5589 -11.5589 -3.4837 -3.4837 -3.4503 -3.4503 -3.3152 -3.3152 -3.2262 -3.2262 -3.0976 -3.0976 -3.0317 -3.0317 -2.8747 -2.8747 -2.8203 -2.8203 -2.7758 -2.7758 -2.7307 -2.7307 -2.1566 -2.1566 -2.0907 -2.0907 -0.6464 -0.6464 -0.5635 -0.5635 0.4304 0.4304 0.8268 0.8268 0.8698 0.8698 0.9123 0.9123 1.2607 1.2607 1.3452 1.3452 1.6253 1.6253 1.7206 1.7206 7.1058 7.1058 7.1276 7.1276 9.6804 9.6804 10.0544 10.0544 10.5993 10.5993 k = 0.0000 0.4070-0.0000 ( 5195 PWs) bands (ev): -11.8083 -11.8083 -11.7389 -11.7389 -11.6270 -11.6270 -11.5657 -11.5657 -3.4812 -3.4812 -3.4514 -3.4514 -3.3051 -3.3051 -3.2234 -3.2234 -3.0907 -3.0907 -3.0294 -3.0294 -2.8705 -2.8705 -2.8132 -2.8132 -2.7712 -2.7712 -2.7238 -2.7238 -2.1999 -2.1999 -2.1403 -2.1403 -0.6476 -0.6476 -0.5793 -0.5793 0.4272 0.4272 0.8242 0.8242 0.8483 0.8483 0.9183 0.9183 1.2653 1.2653 1.3433 1.3433 1.6281 1.6281 1.7131 1.7131 7.1116 7.1116 7.1249 7.1249 9.7226 9.7226 10.1199 10.1199 10.5685 10.5685 k = 0.0000 0.4186-0.0000 ( 5187 PWs) bands (ev): -11.7937 -11.7937 -11.7319 -11.7319 -11.6260 -11.6260 -11.5728 -11.5728 -3.4788 -3.4788 -3.4525 -3.4525 -3.2953 -3.2953 -3.2217 -3.2217 -3.0834 -3.0834 -3.0275 -3.0275 -2.8657 -2.8657 -2.8077 -2.8077 -2.7652 -2.7652 -2.7171 -2.7171 -2.2397 -2.2397 -2.1870 -2.1870 -0.6488 -0.6488 -0.5934 -0.5934 0.4284 0.4284 0.7875 0.7875 0.8599 0.8599 0.9239 0.9239 1.2703 1.2703 1.3410 1.3410 1.6312 1.6312 1.7057 1.7057 7.1153 7.1153 7.1226 7.1226 9.7680 9.7680 10.1818 10.1818 10.5334 10.5334 k = 0.0000 0.4302-0.0000 ( 5191 PWs) bands (ev): -11.7796 -11.7796 -11.7259 -11.7259 -11.6252 -11.6252 -11.5800 -11.5800 -3.4764 -3.4764 -3.4538 -3.4538 -3.2857 -3.2857 -3.2211 -3.2211 -3.0760 -3.0760 -3.0263 -3.0263 -2.8602 -2.8602 -2.8041 -2.8041 -2.7577 -2.7577 -2.7109 -2.7109 -2.2758 -2.2758 -2.2303 -2.2303 -0.6499 -0.6499 -0.6058 -0.6058 0.4339 0.4339 0.7490 0.7490 0.8728 0.8728 0.9282 0.9282 1.2757 1.2757 1.3381 1.3381 1.6345 1.6345 1.6984 1.6984 7.1172 7.1172 7.1209 7.1209 9.8161 9.8161 10.2372 10.2372 10.4994 10.4994 k = 0.0000 0.4419-0.0000 ( 5187 PWs) bands (ev): -11.7664 -11.7664 -11.7210 -11.7210 -11.6245 -11.6245 -11.5873 -11.5873 -3.4741 -3.4741 -3.4551 -3.4551 -3.2766 -3.2766 -3.2216 -3.2216 -3.0686 -3.0686 -3.0258 -3.0258 -2.8540 -2.8540 -2.8025 -2.8025 -2.7488 -2.7488 -2.7053 -2.7053 -2.3077 -2.3077 -2.2695 -2.2695 -0.6509 -0.6509 -0.6165 -0.6165 0.4436 0.4436 0.7113 0.7113 0.8849 0.8849 0.9314 0.9314 1.2814 1.2814 1.3346 1.3346 1.6380 1.6380 1.6914 1.6914 7.1174 7.1174 7.1202 7.1202 9.8666 9.8666 10.2794 10.2794 10.4736 10.4736 k = 0.0000 0.4535-0.0000 ( 5188 PWs) bands (ev): -11.7542 -11.7542 -11.7173 -11.7173 -11.6238 -11.6238 -11.5943 -11.5943 -3.4718 -3.4718 -3.4566 -3.4566 -3.2678 -3.2678 -3.2232 -3.2232 -3.0613 -3.0613 -3.0262 -3.0262 -2.8472 -2.8472 -2.8029 -2.8029 -2.7388 -2.7388 -2.7009 -2.7009 -2.3346 -2.3346 -2.3039 -2.3039 -0.6515 -0.6515 -0.6257 -0.6257 0.4571 0.4571 0.6747 0.6747 0.8958 0.8958 0.9332 0.9332 1.2873 1.2873 1.3307 1.3307 1.6418 1.6418 1.6846 1.6846 7.1167 7.1167 7.1198 7.1198 9.9191 9.9191 10.2939 10.2939 10.4703 10.4703 k = 0.0000 0.4651-0.0000 ( 5194 PWs) bands (ev): -11.7431 -11.7431 -11.7151 -11.7151 -11.6228 -11.6228 -11.6010 -11.6010 -3.4696 -3.4696 -3.4581 -3.4581 -3.2597 -3.2597 -3.2257 -3.2257 -3.0544 -3.0544 -3.0276 -3.0276 -2.8401 -2.8401 -2.8049 -2.8049 -2.7285 -2.7285 -2.6980 -2.6980 -2.3561 -2.3561 -2.3329 -2.3329 -0.6517 -0.6517 -0.6332 -0.6332 0.4743 0.4743 0.6395 0.6395 0.9054 0.9054 0.9336 0.9336 1.2933 1.2933 1.3263 1.3263 1.6459 1.6459 1.6780 1.6780 7.1162 7.1162 7.1193 7.1193 9.9729 9.9729 10.2746 10.2746 10.4955 10.4955 k = 0.0000 0.4767-0.0000 ( 5190 PWs) bands (ev): -11.7336 -11.7336 -11.7146 -11.7146 -11.6214 -11.6214 -11.6070 -11.6070 -3.4675 -3.4675 -3.4598 -3.4598 -3.2521 -3.2521 -3.2293 -3.2293 -3.0480 -3.0480 -3.0298 -3.0298 -2.8328 -2.8328 -2.8084 -2.8084 -2.7185 -2.7185 -2.6971 -2.6971 -2.3711 -2.3711 -2.3556 -2.3556 -0.6512 -0.6512 -0.6393 -0.6393 0.4950 0.4950 0.6060 0.6060 0.9137 0.9137 0.9325 0.9325 1.2993 1.2993 1.3215 1.3215 1.6504 1.6504 1.6718 1.6718 7.1160 7.1160 7.1185 7.1185 10.0274 10.0274 10.2355 10.2355 10.5349 10.5349 k = 0.0000 0.4884-0.0000 ( 5188 PWs) bands (ev): -11.7258 -11.7258 -11.7162 -11.7162 -11.6192 -11.6192 -11.6121 -11.6121 -3.4654 -3.4654 -3.4616 -3.4616 -3.2452 -3.2452 -3.2337 -3.2337 -3.0422 -3.0422 -3.0331 -3.0331 -2.8256 -2.8256 -2.8131 -2.8131 -2.7097 -2.7097 -2.6987 -2.6987 -2.3789 -2.3789 -2.3712 -2.3712 -0.6499 -0.6499 -0.6441 -0.6441 0.5188 0.5188 0.5746 0.5746 0.9206 0.9206 0.9300 0.9300 1.3052 1.3052 1.3163 1.3163 1.6552 1.6552 1.6659 1.6659 7.1162 7.1162 7.1176 7.1176 10.0820 10.0820 10.1877 10.1877 10.5770 10.5770 k = 0.0000 0.5000-0.0000 ( 5184 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4635 -3.4635 -3.4635 -3.4635 -3.2391 -3.2391 -3.2391 -3.2391 -3.0372 -3.0372 -3.0372 -3.0372 -2.8190 -2.8190 -2.8190 -2.8190 -2.7029 -2.7029 -2.7029 -2.7029 -2.3790 -2.3790 -2.3790 -2.3790 -0.6475 -0.6475 -0.6475 -0.6475 0.5454 0.5454 0.5454 0.5454 0.9261 0.9261 0.9261 0.9261 1.3109 1.3109 1.3109 1.3109 1.6604 1.6604 1.6604 1.6604 7.1168 7.1168 7.1168 7.1168 10.1358 10.1358 10.1358 10.1358 10.6168 10.6168 k = 0.0000 0.5000-0.0000 ( 5184 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4635 -3.4635 -3.4635 -3.4635 -3.2391 -3.2391 -3.2391 -3.2391 -3.0372 -3.0372 -3.0372 -3.0372 -2.8190 -2.8190 -2.8190 -2.8190 -2.7029 -2.7029 -2.7029 -2.7029 -2.3790 -2.3790 -2.3790 -2.3790 -0.6475 -0.6475 -0.6475 -0.6475 0.5454 0.5454 0.5454 0.5454 0.9261 0.9261 0.9261 0.9261 1.3109 1.3109 1.3109 1.3109 1.6604 1.6604 1.6604 1.6604 7.1168 7.1168 7.1168 7.1168 10.1358 10.1358 10.1358 10.1358 10.6168 10.6168 k = 0.0116 0.5000-0.0000 ( 5184 PWs) bands (ev): -11.7197 -11.7197 -11.7196 -11.7196 -11.6160 -11.6160 -11.6160 -11.6160 -3.4642 -3.4642 -3.4625 -3.4625 -3.2398 -3.2398 -3.2382 -3.2382 -3.0377 -3.0377 -3.0367 -3.0367 -2.8228 -2.8228 -2.8155 -2.8155 -2.7030 -2.7030 -2.7028 -2.7028 -2.3791 -2.3791 -2.3777 -2.3777 -0.6470 -0.6470 -0.6467 -0.6467 0.5450 0.5450 0.5457 0.5457 0.9216 0.9216 0.9233 0.9233 1.3099 1.3099 1.3110 1.3110 1.6584 1.6584 1.6590 1.6590 7.1202 7.1202 7.1213 7.1213 10.1348 10.1348 10.1350 10.1350 10.6165 10.6165 k = 0.0233 0.5000-0.0000 ( 5188 PWs) bands (ev): -11.7188 -11.7188 -11.7186 -11.7186 -11.6155 -11.6155 -11.6155 -11.6155 -3.4648 -3.4648 -3.4613 -3.4613 -3.2405 -3.2405 -3.2373 -3.2373 -3.0382 -3.0382 -3.0362 -3.0362 -2.8270 -2.8270 -2.8124 -2.8124 -2.7029 -2.7029 -2.7025 -2.7025 -2.3780 -2.3780 -2.3751 -2.3751 -0.6452 -0.6452 -0.6444 -0.6444 0.5445 0.5445 0.5458 0.5458 0.9100 0.9100 0.9132 0.9132 1.3080 1.3080 1.3102 1.3102 1.6530 1.6530 1.6542 1.6542 7.1315 7.1315 7.1337 7.1337 10.1318 10.1318 10.1322 10.1322 10.6183 10.6183 k = 0.0349 0.5000-0.0000 ( 5200 PWs) bands (ev): -11.7173 -11.7173 -11.7170 -11.7170 -11.6146 -11.6146 -11.6146 -11.6146 -3.4653 -3.4653 -3.4599 -3.4599 -3.2411 -3.2411 -3.2363 -3.2363 -3.0388 -3.0388 -3.0357 -3.0357 -2.8315 -2.8315 -2.8097 -2.8097 -2.7027 -2.7027 -2.7021 -2.7021 -2.3757 -2.3757 -2.3713 -2.3713 -0.6419 -0.6419 -0.6408 -0.6408 0.5438 0.5438 0.5458 0.5458 0.8916 0.8916 0.8962 0.8962 1.3053 1.3053 1.3084 1.3084 1.6443 1.6443 1.6462 1.6462 7.1504 7.1504 7.1538 7.1538 10.1266 10.1266 10.1271 10.1271 10.6217 10.6217 k = 0.0465 0.5000-0.0000 ( 5196 PWs) bands (ev): -11.7153 -11.7153 -11.7148 -11.7148 -11.6133 -11.6133 -11.6133 -11.6133 -3.4655 -3.4655 -3.4584 -3.4584 -3.2416 -3.2416 -3.2351 -3.2351 -3.0393 -3.0393 -3.0352 -3.0352 -2.8364 -2.8364 -2.8072 -2.8072 -2.7024 -2.7024 -2.7017 -2.7017 -2.3722 -2.3722 -2.3662 -2.3662 -0.6373 -0.6373 -0.6358 -0.6358 0.5429 0.5429 0.5457 0.5457 0.8667 0.8667 0.8724 0.8724 1.3015 1.3015 1.3055 1.3055 1.6324 1.6324 1.6349 1.6349 7.1766 7.1766 7.1812 7.1812 10.1186 10.1186 10.1192 10.1192 10.6256 10.6256 k = 0.0581 0.5000-0.0000 ( 5188 PWs) bands (ev): -11.7126 -11.7126 -11.7121 -11.7121 -11.6118 -11.6118 -11.6117 -11.6117 -3.4655 -3.4655 -3.4566 -3.4566 -3.2420 -3.2420 -3.2339 -3.2339 -3.0398 -3.0398 -3.0348 -3.0348 -2.8414 -2.8414 -2.8051 -2.8051 -2.7019 -2.7019 -2.7012 -2.7012 -2.3676 -2.3676 -2.3600 -2.3600 -0.6314 -0.6314 -0.6295 -0.6295 0.5418 0.5418 0.5454 0.5454 0.8359 0.8359 0.8424 0.8424 1.2966 1.2966 1.3013 1.3013 1.6173 1.6173 1.6206 1.6206 7.2097 7.2097 7.2154 7.2154 10.1072 10.1072 10.1078 10.1078 10.6278 10.6278 k = 0.0698 0.5000-0.0000 ( 5186 PWs) bands (ev): -11.7094 -11.7094 -11.7087 -11.7087 -11.6098 -11.6098 -11.6098 -11.6098 -3.4653 -3.4653 -3.4546 -3.4546 -3.2423 -3.2423 -3.2325 -3.2325 -3.0402 -3.0402 -3.0344 -3.0344 -2.8468 -2.8468 -2.8033 -2.8033 -2.7013 -2.7013 -2.7006 -2.7006 -2.3619 -2.3619 -2.3526 -2.3526 -0.6242 -0.6242 -0.6220 -0.6220 0.5403 0.5403 0.5448 0.5448 0.7998 0.7998 0.8067 0.8067 1.2904 1.2904 1.2957 1.2957 1.5993 1.5993 1.6033 1.6033 7.2491 7.2491 7.2560 7.2560 10.0916 10.0916 10.0923 10.0923 10.6249 10.6249 k = 0.0814 0.5000-0.0000 ( 5190 PWs) bands (ev): -11.7056 -11.7056 -11.7048 -11.7048 -11.6076 -11.6076 -11.6076 -11.6076 -3.4650 -3.4650 -3.4525 -3.4525 -3.2427 -3.2427 -3.2310 -3.2310 -3.0407 -3.0407 -3.0340 -3.0340 -2.8524 -2.8524 -2.8018 -2.8018 -2.7006 -2.7006 -2.7000 -2.7000 -2.3551 -2.3551 -2.3440 -2.3440 -0.6158 -0.6158 -0.6132 -0.6132 0.5382 0.5382 0.5440 0.5440 0.7591 0.7591 0.7658 0.7658 1.2829 1.2829 1.2887 1.2887 1.5784 1.5784 1.5833 1.5833 7.2941 7.2941 7.3022 7.3022 10.0714 10.0714 10.0719 10.0719 10.6122 10.6122 k = 0.0930 0.5000-0.0000 ( 5186 PWs) bands (ev): -11.7012 -11.7012 -11.7004 -11.7004 -11.6050 -11.6050 -11.6050 -11.6050 -3.4644 -3.4644 -3.4501 -3.4501 -3.2429 -3.2429 -3.2294 -3.2294 -3.0410 -3.0410 -3.0337 -3.0337 -2.8582 -2.8582 -2.8006 -2.8006 -2.6998 -2.6998 -2.6993 -2.6993 -2.3474 -2.3474 -2.3344 -2.3344 -0.6062 -0.6062 -0.6033 -0.6033 0.5353 0.5353 0.5426 0.5426 0.7146 0.7146 0.7206 0.7206 1.2739 1.2739 1.2801 1.2801 1.5549 1.5549 1.5607 1.5607 7.3440 7.3440 7.3533 7.3533 10.0456 10.0456 10.0461 10.0461 10.5854 10.5854 k = 0.1047 0.5000-0.0000 ( 5186 PWs) bands (ev): -11.6963 -11.6963 -11.6954 -11.6954 -11.6022 -11.6022 -11.6021 -11.6021 -3.4636 -3.4636 -3.4475 -3.4475 -3.2432 -3.2432 -3.2277 -3.2277 -3.0414 -3.0414 -3.0335 -3.0335 -2.8643 -2.8643 -2.7996 -2.7996 -2.6989 -2.6989 -2.6986 -2.6986 -2.3389 -2.3389 -2.3237 -2.3237 -0.5955 -0.5955 -0.5923 -0.5923 0.5307 0.5307 0.5405 0.5405 0.6678 0.6678 0.6719 0.6719 1.2634 1.2634 1.2701 1.2701 1.5290 1.5290 1.5359 1.5359 7.3979 7.3979 7.4085 7.4085 10.0139 10.0139 10.0142 10.0142 10.5442 10.5442 k = 0.1163 0.5000-0.0000 ( 5178 PWs) bands (ev): -11.6909 -11.6909 -11.6899 -11.6899 -11.5990 -11.5990 -11.5990 -11.5990 -3.4625 -3.4625 -3.4446 -3.4446 -3.2434 -3.2434 -3.2258 -3.2258 -3.0417 -3.0417 -3.0334 -3.0334 -2.8704 -2.8704 -2.7988 -2.7988 -2.6979 -2.6979 -2.6978 -2.6978 -2.3295 -2.3295 -2.3122 -2.3122 -0.5838 -0.5838 -0.5803 -0.5803 0.5221 0.5221 0.5363 0.5363 0.6216 0.6216 0.6216 0.6216 1.2513 1.2513 1.2584 1.2584 1.5009 1.5009 1.5090 1.5090 7.4550 7.4550 7.4669 7.4669 9.9756 9.9756 9.9759 9.9759 10.4919 10.4919 k = 0.1279 0.5000-0.0000 ( 5168 PWs) bands (ev): -11.6851 -11.6851 -11.6840 -11.6840 -11.5956 -11.5956 -11.5955 -11.5955 -3.4612 -3.4612 -3.4415 -3.4415 -3.2436 -3.2436 -3.2238 -3.2238 -3.0419 -3.0419 -3.0333 -3.0333 -2.8766 -2.8766 -2.7981 -2.7981 -2.6971 -2.6971 -2.6967 -2.6967 -2.3194 -2.3194 -2.2997 -2.2997 -0.5713 -0.5713 -0.5674 -0.5674 0.5031 0.5031 0.5244 0.5244 0.5760 0.5760 0.5830 0.5830 1.2375 1.2375 1.2453 1.2453 1.4709 1.4709 1.4804 1.4804 7.5145 7.5145 7.5275 7.5275 9.9304 9.9304 9.9306 9.9306 10.4331 10.4331 k = 0.1395 0.5000-0.0000 ( 5176 PWs) bands (ev): -11.6788 -11.6788 -11.6776 -11.6776 -11.5919 -11.5919 -11.5919 -11.5919 -3.4597 -3.4597 -3.4383 -3.4383 -3.2438 -3.2438 -3.2217 -3.2217 -3.0420 -3.0420 -3.0333 -3.0333 -2.8829 -2.8829 -2.7977 -2.7977 -2.6964 -2.6964 -2.6955 -2.6955 -2.3087 -2.3087 -2.2866 -2.2866 -0.5579 -0.5579 -0.5537 -0.5537 0.4658 0.4658 0.4879 0.4879 0.5526 0.5526 0.5604 0.5604 1.2221 1.2221 1.2305 1.2305 1.4392 1.4392 1.4503 1.4503 7.5754 7.5754 7.5896 7.5896 9.8783 9.8783 9.8784 9.8784 10.3719 10.3719 k = 0.1512 0.5000-0.0000 ( 5180 PWs) bands (ev): -11.6720 -11.6720 -11.6708 -11.6708 -11.5880 -11.5880 -11.5879 -11.5879 -3.4579 -3.4579 -3.4348 -3.4348 -3.2441 -3.2441 -3.2195 -3.2195 -3.0421 -3.0421 -3.0334 -3.0334 -2.8893 -2.8893 -2.7973 -2.7973 -2.6957 -2.6957 -2.6943 -2.6943 -2.2976 -2.2976 -2.2728 -2.2728 -0.5439 -0.5439 -0.5395 -0.5395 0.4153 0.4153 0.4339 0.4339 0.5447 0.5447 0.5494 0.5494 1.2048 1.2048 1.2142 1.2142 1.4061 1.4061 1.4191 1.4191 7.6368 7.6368 7.6522 7.6522 9.8195 9.8195 9.8195 9.8195 10.3108 10.3108 k = 0.1628 0.5000-0.0000 ( 5174 PWs) bands (ev): -11.6649 -11.6649 -11.6636 -11.6636 -11.5838 -11.5838 -11.5838 -11.5838 -3.4558 -3.4558 -3.4310 -3.4310 -3.2444 -3.2444 -3.2171 -3.2171 -3.0421 -3.0421 -3.0337 -3.0337 -2.8956 -2.8956 -2.7969 -2.7969 -2.6950 -2.6950 -2.6931 -2.6931 -2.2861 -2.2861 -2.2584 -2.2584 -0.5295 -0.5295 -0.5249 -0.5249 0.3596 0.3596 0.3756 0.3756 0.5401 0.5401 0.5427 0.5427 1.1857 1.1857 1.1963 1.1963 1.3721 1.3721 1.3870 1.3870 7.6979 7.6979 7.7144 7.7144 9.7544 9.7544 9.7545 9.7545 10.2515 10.2515 k = 0.1744 0.5000-0.0000 ( 5178 PWs) bands (ev): -11.6575 -11.6575 -11.6561 -11.6561 -11.5795 -11.5795 -11.5794 -11.5794 -3.4534 -3.4534 -3.4270 -3.4270 -3.2449 -3.2449 -3.2146 -3.2146 -3.0420 -3.0420 -3.0340 -3.0340 -2.9019 -2.9019 -2.7967 -2.7967 -2.6943 -2.6943 -2.6918 -2.6918 -2.2744 -2.2744 -2.2437 -2.2437 -0.5149 -0.5149 -0.5100 -0.5100 0.3022 0.3022 0.3163 0.3163 0.5360 0.5360 0.5373 0.5373 1.1648 1.1648 1.1768 1.1768 1.3372 1.3372 1.3545 1.3545 7.7578 7.7578 7.7753 7.7753 9.6840 9.6840 9.6844 9.6844 10.1946 10.1946 k = 0.1860 0.5000-0.0000 ( 5182 PWs) bands (ev): -11.6497 -11.6497 -11.6483 -11.6483 -11.5750 -11.5750 -11.5749 -11.5749 -3.4506 -3.4506 -3.4227 -3.4227 -3.2454 -3.2454 -3.2120 -3.2120 -3.0419 -3.0419 -3.0345 -3.0345 -2.9081 -2.9081 -2.7964 -2.7964 -2.6937 -2.6937 -2.6906 -2.6906 -2.2627 -2.2627 -2.2288 -2.2288 -0.5005 -0.5005 -0.4954 -0.4954 0.2449 0.2449 0.2575 0.2575 0.5317 0.5317 0.5324 0.5324 1.1419 1.1419 1.1556 1.1556 1.3020 1.3020 1.3219 1.3219 7.8157 7.8157 7.8341 7.8341 9.6095 9.6095 9.6101 9.6101 10.1404 10.1404 k = 0.1977 0.5000-0.0000 ( 5182 PWs) bands (ev): -11.6416 -11.6416 -11.6402 -11.6402 -11.5703 -11.5703 -11.5702 -11.5702 -3.4475 -3.4475 -3.4181 -3.4181 -3.2459 -3.2459 -3.2093 -3.2093 -3.0416 -3.0416 -3.0352 -3.0352 -2.9141 -2.9141 -2.7961 -2.7961 -2.6931 -2.6931 -2.6894 -2.6894 -2.2510 -2.2510 -2.2138 -2.2138 -0.4865 -0.4865 -0.4813 -0.4813 0.1890 0.1890 0.2001 0.2001 0.5271 0.5271 0.5273 0.5273 1.1171 1.1171 1.1327 1.1327 1.2668 1.2668 1.2894 1.2894 7.8709 7.8709 7.8900 7.8900 9.5319 9.5319 9.5328 9.5328 10.0889 10.0889 k = 0.2093 0.5000-0.0000 ( 5178 PWs) bands (ev): -11.6333 -11.6333 -11.6318 -11.6318 -11.5655 -11.5655 -11.5654 -11.5654 -3.4440 -3.4440 -3.4133 -3.4133 -3.2466 -3.2466 -3.2064 -3.2064 -3.0413 -3.0413 -3.0359 -3.0359 -2.9200 -2.9200 -2.7957 -2.7957 -2.6926 -2.6926 -2.6883 -2.6883 -2.2397 -2.2397 -2.1989 -2.1989 -0.4735 -0.4735 -0.4683 -0.4683 0.1356 0.1356 0.1453 0.1453 0.5219 0.5219 0.5219 0.5219 1.0903 1.0903 1.1079 1.1079 1.2319 1.2319 1.2574 1.2574 7.9228 7.9228 7.9424 7.9424 9.4524 9.4524 9.4536 9.4536 10.0399 10.0399 k = 0.2209 0.5000-0.0000 ( 5170 PWs) bands (ev): -11.6248 -11.6248 -11.6233 -11.6233 -11.5606 -11.5606 -11.5605 -11.5605 -3.4400 -3.4400 -3.4083 -3.4083 -3.2475 -3.2475 -3.2035 -3.2035 -3.0408 -3.0408 -3.0368 -3.0368 -2.9256 -2.9256 -2.7953 -2.7953 -2.6921 -2.6921 -2.6872 -2.6872 -2.2289 -2.2289 -2.1844 -2.1844 -0.4621 -0.4621 -0.4571 -0.4571 0.0857 0.0857 0.0942 0.0942 0.5160 0.5160 0.5160 0.5160 1.0617 1.0617 1.0813 1.0813 1.1978 1.1978 1.2261 1.2261 7.9707 7.9707 7.9907 7.9907 9.3719 9.3719 9.3735 9.3735 9.9933 9.9933 k = 0.2326 0.5000-0.0000 ( 5170 PWs) bands (ev): -11.6161 -11.6161 -11.6146 -11.6146 -11.5556 -11.5556 -11.5556 -11.5556 -3.4357 -3.4357 -3.4030 -3.4030 -3.2484 -3.2484 -3.2004 -3.2004 -3.0403 -3.0403 -3.0378 -3.0378 -2.9310 -2.9310 -2.7948 -2.7948 -2.6917 -2.6917 -2.6863 -2.6863 -2.2187 -2.2187 -2.1704 -2.1704 -0.4531 -0.4531 -0.4485 -0.4485 0.0408 0.0408 0.0482 0.0482 0.5095 0.5095 0.5095 0.5095 1.0313 1.0313 1.0526 1.0526 1.1649 1.1649 1.1956 1.1956 8.0143 8.0143 8.0345 8.0345 9.2913 9.2913 9.2932 9.2932 9.9490 9.9490 k = 0.2442 0.5000-0.0000 ( 5166 PWs) bands (ev): -11.6074 -11.6074 -11.6058 -11.6058 -11.5506 -11.5506 -11.5505 -11.5505 -3.4309 -3.4309 -3.3975 -3.3975 -3.2495 -3.2495 -3.1973 -3.1973 -3.0397 -3.0397 -3.0388 -3.0388 -2.9360 -2.9360 -2.7941 -2.7941 -2.6914 -2.6914 -2.6856 -2.6856 -2.2095 -2.2095 -2.1572 -2.1572 -0.4474 -0.4474 -0.4435 -0.4435 0.0021 0.0021 0.0086 0.0086 0.5021 0.5021 0.5023 0.5023 0.9994 0.9994 1.0221 1.0221 1.1333 1.1333 1.1661 1.1661 8.0532 8.0532 8.0734 8.0734 9.2113 9.2113 9.2135 9.2135 9.9069 9.9069 k = 0.2558 0.5000-0.0000 ( 5166 PWs) bands (ev): -11.5986 -11.5986 -11.5970 -11.5970 -11.5455 -11.5455 -11.5455 -11.5455 -3.4257 -3.4257 -3.3918 -3.3918 -3.2507 -3.2507 -3.1942 -3.1942 -3.0399 -3.0399 -3.0391 -3.0391 -2.9408 -2.9408 -2.7934 -2.7934 -2.6912 -2.6912 -2.6850 -2.6850 -2.2013 -2.2013 -2.1450 -2.1450 -0.4459 -0.4459 -0.4432 -0.4432 -0.0292 -0.0292 -0.0231 -0.0231 0.4940 0.4940 0.4945 0.4945 0.9661 0.9661 0.9898 0.9898 1.1032 1.1032 1.1376 1.1376 8.0872 8.0872 8.1073 8.1073 9.1324 9.1324 9.1349 9.1349 9.8670 9.8670 k = 0.2674 0.5000-0.0000 ( 5158 PWs) bands (ev): -11.5897 -11.5897 -11.5882 -11.5882 -11.5405 -11.5405 -11.5404 -11.5404 -3.4200 -3.4200 -3.3859 -3.3859 -3.2520 -3.2520 -3.1911 -3.1911 -3.0410 -3.0410 -3.0384 -3.0384 -2.9453 -2.9453 -2.7925 -2.7925 -2.6910 -2.6910 -2.6846 -2.6846 -2.1944 -2.1944 -2.1341 -2.1341 -0.4492 -0.4492 -0.4482 -0.4482 -0.0521 -0.0521 -0.0460 -0.0460 0.4851 0.4851 0.4859 0.4859 0.9318 0.9318 0.9560 0.9560 1.0746 1.0746 1.1101 1.1101 8.1164 8.1164 8.1361 8.1361 9.0551 9.0551 9.0579 9.0579 9.8293 9.8293 k = 0.2791 0.5000-0.0000 ( 5162 PWs) bands (ev): -11.5809 -11.5809 -11.5794 -11.5794 -11.5354 -11.5354 -11.5354 -11.5354 -3.4139 -3.4139 -3.3798 -3.3798 -3.2535 -3.2535 -3.1879 -3.1879 -3.0421 -3.0421 -3.0377 -3.0377 -2.9494 -2.9494 -2.7915 -2.7915 -2.6910 -2.6910 -2.6845 -2.6845 -2.1890 -2.1890 -2.1247 -2.1247 -0.4584 -0.4584 -0.4573 -0.4573 -0.0663 -0.0663 -0.0598 -0.0598 0.4754 0.4754 0.4766 0.4766 0.8967 0.8967 0.9212 0.9212 1.0474 1.0474 1.0836 1.0836 8.1408 8.1408 8.1599 8.1599 8.9799 8.9799 8.9828 8.9828 9.7937 9.7937 k = 0.2907 0.5000-0.0000 ( 5166 PWs) bands (ev): -11.5722 -11.5722 -11.5707 -11.5707 -11.5305 -11.5305 -11.5304 -11.5304 -3.4072 -3.4072 -3.3737 -3.3737 -3.2550 -3.2550 -3.1849 -3.1849 -3.0431 -3.0431 -3.0369 -3.0369 -2.9531 -2.9531 -2.7904 -2.7904 -2.6911 -2.6911 -2.6847 -2.6847 -2.1852 -2.1852 -2.1169 -2.1169 -0.4730 -0.4730 -0.4694 -0.4694 -0.0724 -0.0724 -0.0650 -0.0650 0.4649 0.4649 0.4665 0.4665 0.8609 0.8609 0.8855 0.8855 1.0216 1.0216 1.0580 1.0580 8.1605 8.1605 8.1789 8.1789 8.9070 8.9070 8.9101 8.9101 9.7602 9.7602 k = 0.3023 0.5000-0.0000 ( 5174 PWs) bands (ev): -11.5636 -11.5636 -11.5621 -11.5621 -11.5256 -11.5256 -11.5255 -11.5255 -3.4002 -3.4002 -3.3675 -3.3675 -3.2567 -3.2567 -3.1820 -3.1820 -3.0438 -3.0438 -3.0361 -3.0361 -2.9565 -2.9565 -2.7892 -2.7892 -2.6913 -2.6913 -2.6853 -2.6853 -2.1831 -2.1831 -2.1111 -2.1111 -0.4904 -0.4904 -0.4841 -0.4841 -0.0716 -0.0716 -0.0631 -0.0631 0.4537 0.4537 0.4558 0.4558 0.8248 0.8248 0.8493 0.8493 0.9970 0.9970 1.0335 1.0335 8.1758 8.1758 8.1935 8.1935 8.8367 8.8367 8.8399 8.8399 9.7286 9.7286 k = 0.3140 0.5000-0.0000 ( 5192 PWs) bands (ev): -11.5552 -11.5552 -11.5537 -11.5537 -11.5208 -11.5208 -11.5207 -11.5207 -3.3926 -3.3926 -3.3613 -3.3613 -3.2584 -3.2584 -3.1792 -3.1792 -3.0442 -3.0442 -3.0353 -3.0353 -2.9594 -2.9594 -2.7879 -2.7879 -2.6917 -2.6917 -2.6863 -2.6863 -2.1828 -2.1828 -2.1074 -2.1074 -0.5088 -0.5088 -0.5000 -0.5000 -0.0654 -0.0654 -0.0556 -0.0556 0.4419 0.4419 0.4445 0.4445 0.7886 0.7886 0.8129 0.8129 0.9737 0.9737 1.0099 1.0099 8.1872 8.1872 8.2040 8.2040 8.7694 8.7694 8.7727 8.7727 9.6990 9.6990 k = 0.3256 0.5000-0.0000 ( 5196 PWs) bands (ev): -11.5470 -11.5470 -11.5456 -11.5456 -11.5161 -11.5161 -11.5161 -11.5161 -3.3846 -3.3846 -3.3551 -3.3551 -3.2602 -3.2602 -3.1767 -3.1767 -3.0442 -3.0442 -3.0345 -3.0345 -2.9619 -2.9619 -2.7864 -2.7864 -2.6922 -2.6922 -2.6877 -2.6877 -2.1842 -2.1842 -2.1059 -2.1059 -0.5268 -0.5268 -0.5155 -0.5155 -0.0552 -0.0552 -0.0441 -0.0441 0.4296 0.4296 0.4327 0.4327 0.7523 0.7523 0.7766 0.7766 0.9517 0.9517 0.9874 0.9874 8.1950 8.1950 8.2108 8.2108 8.7051 8.7051 8.7084 8.7084 9.6713 9.6713 k = 0.3372 0.5000-0.0000 ( 5192 PWs) bands (ev): -11.5391 -11.5391 -11.5377 -11.5377 -11.5116 -11.5116 -11.5116 -11.5116 -3.3762 -3.3762 -3.3491 -3.3491 -3.2619 -3.2619 -3.1746 -3.1746 -3.0437 -3.0437 -3.0337 -3.0337 -2.9637 -2.9637 -2.7850 -2.7850 -2.6929 -2.6929 -2.6896 -2.6896 -2.1872 -2.1872 -2.1066 -2.1066 -0.5432 -0.5432 -0.5296 -0.5296 -0.0421 -0.0421 -0.0296 -0.0296 0.4170 0.4170 0.4205 0.4205 0.7162 0.7162 0.7404 0.7404 0.9309 0.9309 0.9660 0.9660 8.1998 8.1998 8.2146 8.2146 8.6441 8.6441 8.6475 8.6475 9.6454 9.6454 k = 0.3488 0.5000-0.0000 ( 5188 PWs) bands (ev): -11.5315 -11.5315 -11.5302 -11.5302 -11.5073 -11.5073 -11.5072 -11.5072 -3.3674 -3.3674 -3.3432 -3.3432 -3.2637 -3.2637 -3.1729 -3.1729 -3.0427 -3.0427 -3.0329 -3.0329 -2.9650 -2.9650 -2.7835 -2.7835 -2.6937 -2.6937 -2.6921 -2.6921 -2.1917 -2.1917 -2.1094 -2.1094 -0.5571 -0.5571 -0.5416 -0.5416 -0.0272 -0.0272 -0.0132 -0.0132 0.4041 0.4041 0.4080 0.4080 0.6804 0.6804 0.7047 0.7047 0.9114 0.9114 0.9456 0.9456 8.2019 8.2019 8.2157 8.2157 8.5866 8.5866 8.5900 8.5900 9.6213 9.6213 k = 0.3605 0.5000-0.0000 ( 5200 PWs) bands (ev): -11.5243 -11.5243 -11.5230 -11.5230 -11.5032 -11.5032 -11.5031 -11.5031 -3.3582 -3.3582 -3.3376 -3.3376 -3.2654 -3.2654 -3.1719 -3.1719 -3.0410 -3.0410 -3.0321 -3.0321 -2.9656 -2.9656 -2.7822 -2.7822 -2.6953 -2.6953 -2.6947 -2.6947 -2.1974 -2.1974 -2.1144 -2.1144 -0.5682 -0.5682 -0.5511 -0.5511 -0.0112 -0.0112 0.0044 0.0044 0.3913 0.3913 0.3956 0.3956 0.6452 0.6452 0.6695 0.6695 0.8932 0.8932 0.9263 0.9263 8.2020 8.2020 8.2147 8.2147 8.5327 8.5327 8.5360 8.5360 9.5988 9.5988 k = 0.3721 0.5000-0.0000 ( 5188 PWs) bands (ev): -11.5174 -11.5174 -11.5162 -11.5162 -11.4993 -11.4993 -11.4993 -11.4993 -3.3488 -3.3488 -3.3322 -3.3322 -3.2669 -3.2669 -3.1715 -3.1715 -3.0388 -3.0388 -3.0313 -3.0313 -2.9651 -2.9651 -2.7811 -2.7811 -2.6990 -2.6990 -2.6959 -2.6959 -2.2040 -2.2040 -2.1213 -2.1213 -0.5761 -0.5761 -0.5580 -0.5580 0.0055 0.0055 0.0225 0.0225 0.3787 0.3787 0.3833 0.3833 0.6106 0.6106 0.6352 0.6352 0.8763 0.8763 0.9081 0.9081 8.2004 8.2004 8.2121 8.2121 8.4826 8.4826 8.4858 8.4858 9.5781 9.5781 k = 0.3837 0.5000-0.0000 ( 5196 PWs) bands (ev): -11.5111 -11.5111 -11.5099 -11.5099 -11.4957 -11.4957 -11.4956 -11.4956 -3.3392 -3.3392 -3.3272 -3.3272 -3.2683 -3.2683 -3.1720 -3.1720 -3.0362 -3.0362 -3.0306 -3.0306 -2.9635 -2.9635 -2.7804 -2.7804 -2.7032 -2.7032 -2.6972 -2.6972 -2.2111 -2.2111 -2.1299 -2.1299 -0.5810 -0.5810 -0.5622 -0.5622 0.0222 0.0222 0.0408 0.0408 0.3665 0.3665 0.3713 0.3713 0.5771 0.5771 0.6019 0.6019 0.8608 0.8608 0.8910 0.8910 8.1977 8.1977 8.2083 8.2083 8.4363 8.4363 8.4394 8.4394 9.5591 9.5591 k = 0.3953 0.5000-0.0000 ( 5192 PWs) bands (ev): -11.5052 -11.5052 -11.5041 -11.5041 -11.4923 -11.4923 -11.4923 -11.4923 -3.3297 -3.3297 -3.3226 -3.3226 -3.2694 -3.2694 -3.1734 -3.1734 -3.0334 -3.0334 -3.0299 -3.0299 -2.9604 -2.9604 -2.7804 -2.7804 -2.7078 -2.7078 -2.6988 -2.6988 -2.2183 -2.2183 -2.1399 -2.1399 -0.5830 -0.5830 -0.5640 -0.5640 0.0386 0.0386 0.0587 0.0587 0.3550 0.3550 0.3599 0.3599 0.5448 0.5448 0.5698 0.5698 0.8467 0.8467 0.8751 0.8751 8.1942 8.1942 8.2038 8.2038 8.3939 8.3939 8.3970 8.3970 9.5417 9.5417 k = 0.4070 0.5000-0.0000 ( 5170 PWs) bands (ev): -11.4998 -11.4998 -11.4989 -11.4989 -11.4892 -11.4892 -11.4892 -11.4892 -3.3203 -3.3203 -3.3183 -3.3183 -3.2700 -3.2700 -3.1757 -3.1757 -3.0308 -3.0308 -3.0291 -3.0291 -2.9554 -2.9554 -2.7813 -2.7813 -2.7125 -2.7125 -2.7004 -2.7004 -2.2252 -2.2252 -2.1508 -2.1508 -0.5825 -0.5825 -0.5639 -0.5639 0.0544 0.0544 0.0757 0.0757 0.3444 0.3444 0.3493 0.3493 0.5140 0.5140 0.5392 0.5392 0.8341 0.8341 0.8604 0.8604 8.1904 8.1904 8.1990 8.1990 8.3556 8.3556 8.3585 8.3585 9.5260 9.5260 k = 0.4186 0.5000-0.0000 ( 5170 PWs) bands (ev): -11.4950 -11.4950 -11.4942 -11.4942 -11.4864 -11.4864 -11.4864 -11.4864 -3.3145 -3.3145 -3.3117 -3.3117 -3.2697 -3.2697 -3.1789 -3.1789 -3.0285 -3.0285 -3.0285 -3.0285 -2.9486 -2.9486 -2.7839 -2.7839 -2.7168 -2.7168 -2.7023 -2.7023 -2.2314 -2.2314 -2.1625 -2.1625 -0.5799 -0.5799 -0.5621 -0.5621 0.0693 0.0693 0.0916 0.0916 0.3352 0.3352 0.3398 0.3398 0.4852 0.4852 0.5104 0.5104 0.8229 0.8229 0.8468 0.8468 8.1866 8.1866 8.1943 8.1943 8.3213 8.3213 8.3241 8.3241 9.5121 9.5121 k = 0.4302 0.5000-0.0000 ( 5174 PWs) bands (ev): -11.4909 -11.4909 -11.4901 -11.4901 -11.4839 -11.4839 -11.4838 -11.4838 -3.3110 -3.3110 -3.3044 -3.3044 -3.2681 -3.2681 -3.1831 -3.1831 -3.0279 -3.0279 -3.0268 -3.0268 -2.9398 -2.9398 -2.7886 -2.7886 -2.7202 -2.7202 -2.7044 -2.7044 -2.2366 -2.2366 -2.1744 -2.1744 -0.5758 -0.5758 -0.5593 -0.5593 0.0832 0.0832 0.1057 0.1057 0.3274 0.3274 0.3316 0.3316 0.4587 0.4587 0.4835 0.4835 0.8133 0.8133 0.8346 0.8346 8.1831 8.1831 8.1899 8.1899 8.2912 8.2912 8.2938 8.2938 9.5000 9.5000 k = 0.4419 0.5000-0.0000 ( 5178 PWs) bands (ev): -11.4874 -11.4874 -11.4868 -11.4868 -11.4817 -11.4817 -11.4816 -11.4816 -3.3080 -3.3080 -3.2991 -3.2991 -3.2643 -3.2643 -3.1881 -3.1881 -3.0273 -3.0273 -3.0256 -3.0256 -2.9291 -2.9291 -2.7956 -2.7956 -2.7224 -2.7224 -2.7066 -2.7066 -2.2404 -2.2404 -2.1863 -2.1863 -0.5706 -0.5706 -0.5560 -0.5560 0.0957 0.0957 0.1176 0.1176 0.3216 0.3216 0.3248 0.3248 0.4349 0.4349 0.4588 0.4588 0.8054 0.8054 0.8237 0.8237 8.1802 8.1802 8.1861 8.1861 8.2651 8.2651 8.2676 8.2676 9.4897 9.4897 k = 0.4535 0.5000-0.0000 ( 5178 PWs) bands (ev): -11.4845 -11.4845 -11.4841 -11.4841 -11.4797 -11.4797 -11.4797 -11.4797 -3.3052 -3.3052 -3.2962 -3.2962 -3.2583 -3.2583 -3.1940 -3.1940 -3.0268 -3.0268 -3.0249 -3.0249 -2.9169 -2.9169 -2.8050 -2.8050 -2.7233 -2.7233 -2.7089 -2.7089 -2.2426 -2.2426 -2.1977 -2.1977 -0.5651 -0.5651 -0.5527 -0.5527 0.1069 0.1069 0.1270 0.1270 0.3178 0.3178 0.3198 0.3198 0.4145 0.4145 0.4367 0.4367 0.7992 0.7992 0.8142 0.8142 8.1783 8.1783 8.1834 8.1834 8.2431 8.2431 8.2455 8.2455 9.4813 9.4813 k = 0.4651 0.5000-0.0000 ( 5170 PWs) bands (ev): -11.4824 -11.4824 -11.4820 -11.4820 -11.4781 -11.4781 -11.4781 -11.4781 -3.3028 -3.3028 -3.2951 -3.2951 -3.2506 -3.2506 -3.2007 -3.2007 -3.0263 -3.0263 -3.0246 -3.0246 -2.9033 -2.9033 -2.8165 -2.8165 -2.7231 -2.7231 -2.7112 -2.7112 -2.2430 -2.2430 -2.2084 -2.2084 -0.5596 -0.5596 -0.5500 -0.5500 0.1166 0.1166 0.1334 0.1334 0.3159 0.3159 0.3166 0.3166 0.3980 0.3980 0.4173 0.4173 0.7947 0.7947 0.8062 0.8062 8.1775 8.1775 8.1818 8.1818 8.2251 8.2251 8.2274 8.2274 9.4748 9.4748 k = 0.4767 0.5000-0.0000 ( 5176 PWs) bands (ev): -11.4809 -11.4809 -11.4807 -11.4807 -11.4769 -11.4769 -11.4769 -11.4769 -3.3007 -3.3007 -3.2953 -3.2953 -3.2421 -3.2421 -3.2081 -3.2081 -3.0258 -3.0258 -3.0245 -3.0245 -2.8889 -2.8889 -2.8296 -2.8296 -2.7221 -2.7221 -2.7137 -2.7137 -2.2415 -2.2415 -2.2180 -2.2180 -0.5548 -0.5548 -0.5482 -0.5482 0.1246 0.1246 0.1368 0.1368 0.3151 0.3151 0.3155 0.3155 0.3865 0.3865 0.4011 0.4011 0.7921 0.7921 0.7999 0.7999 8.1781 8.1781 8.1816 8.1816 8.2112 8.2112 8.2133 8.2133 9.4702 9.4702 k = 0.4884 0.5000-0.0000 ( 5176 PWs) bands (ev): -11.4800 -11.4800 -11.4799 -11.4799 -11.4762 -11.4762 -11.4761 -11.4761 -3.2988 -3.2988 -3.2960 -3.2960 -3.2332 -3.2332 -3.2160 -3.2160 -3.0253 -3.0253 -3.0247 -3.0247 -2.8739 -2.8739 -2.8438 -2.8438 -2.7204 -2.7204 -2.7161 -2.7161 -2.2382 -2.2382 -2.2264 -2.2264 -0.5511 -0.5511 -0.5477 -0.5477 0.1309 0.1309 0.1373 0.1373 0.3149 0.3149 0.3156 0.3156 0.3809 0.3809 0.3890 0.3890 0.7913 0.7913 0.7952 0.7952 8.1800 8.1800 8.1823 8.1823 8.2018 8.2018 8.2034 8.2034 9.4675 9.4675 k = 0.5000 0.5000-0.0000 ( 5164 PWs) bands (ev): -11.4797 -11.4797 -11.4797 -11.4797 -11.4759 -11.4759 -11.4759 -11.4759 -3.2972 -3.2972 -3.2972 -3.2972 -3.2245 -3.2245 -3.2245 -3.2245 -3.0249 -3.0249 -3.0249 -3.0249 -2.8587 -2.8587 -2.8587 -2.8587 -2.7183 -2.7183 -2.7183 -2.7183 -2.2331 -2.2331 -2.2331 -2.2331 -0.5486 -0.5486 -0.5486 -0.5486 0.1352 0.1352 0.1352 0.1352 0.3153 0.3153 0.3153 0.3153 0.3818 0.3818 0.3818 0.3818 0.7924 0.7924 0.7924 0.7924 8.1821 8.1821 8.1821 8.1821 8.1988 8.1988 8.1988 8.1988 9.4668 9.4668 k = 0.5000 0.5000-0.0000 ( 5164 PWs) bands (ev): -11.4797 -11.4797 -11.4797 -11.4797 -11.4759 -11.4759 -11.4759 -11.4759 -3.2972 -3.2972 -3.2972 -3.2972 -3.2245 -3.2245 -3.2245 -3.2245 -3.0249 -3.0249 -3.0249 -3.0249 -2.8587 -2.8587 -2.8587 -2.8587 -2.7183 -2.7183 -2.7183 -2.7183 -2.2331 -2.2331 -2.2331 -2.2331 -0.5486 -0.5486 -0.5486 -0.5486 0.1352 0.1352 0.1352 0.1352 0.3153 0.3153 0.3153 0.3153 0.3818 0.3818 0.3818 0.3818 0.7924 0.7924 0.7924 0.7924 8.1821 8.1821 8.1821 8.1821 8.1988 8.1988 8.1988 8.1988 9.4668 9.4668 k = 0.4918 0.4918-0.0000 ( 5184 PWs) bands (ev): -11.4802 -11.4802 -11.4797 -11.4797 -11.4762 -11.4762 -11.4761 -11.4761 -3.2988 -3.2988 -3.2961 -3.2961 -3.2332 -3.2332 -3.2161 -3.2161 -3.0254 -3.0254 -3.0247 -3.0247 -2.8739 -2.8739 -2.8439 -2.8439 -2.7204 -2.7204 -2.7161 -2.7161 -2.2382 -2.2382 -2.2264 -2.2264 -0.5514 -0.5514 -0.5474 -0.5474 0.1297 0.1297 0.1386 0.1386 0.3143 0.3143 0.3161 0.3161 0.3805 0.3805 0.3893 0.3893 0.7912 0.7912 0.7953 0.7953 8.1797 8.1797 8.1827 8.1827 8.2013 8.2013 8.2039 8.2039 9.4673 9.4673 k = 0.4836 0.4836-0.0000 ( 5180 PWs) bands (ev): -11.4817 -11.4817 -11.4799 -11.4799 -11.4771 -11.4771 -11.4766 -11.4766 -3.3006 -3.3006 -3.2953 -3.2953 -3.2420 -3.2420 -3.2081 -3.2081 -3.0260 -3.0260 -3.0243 -3.0243 -2.8889 -2.8889 -2.8295 -2.8295 -2.7223 -2.7223 -2.7135 -2.7135 -2.2416 -2.2416 -2.2180 -2.2180 -0.5570 -0.5570 -0.5461 -0.5461 0.1181 0.1181 0.1447 0.1447 0.3111 0.3111 0.3179 0.3179 0.3838 0.3838 0.4039 0.4039 0.7913 0.7913 0.8006 0.8006 8.1770 8.1770 8.1825 8.1825 8.2096 8.2096 8.2149 8.2149 9.4691 9.4691 k = 0.4754 0.4754-0.0000 ( 5180 PWs) bands (ev): -11.4843 -11.4843 -11.4806 -11.4806 -11.4782 -11.4782 -11.4775 -11.4775 -3.3026 -3.3026 -3.2953 -3.2953 -3.2506 -3.2506 -3.2008 -3.2008 -3.0268 -3.0268 -3.0239 -3.0239 -2.9037 -2.9037 -2.8160 -2.8160 -2.7240 -2.7240 -2.7108 -2.7108 -2.2430 -2.2430 -2.2080 -2.2080 -0.5657 -0.5657 -0.5442 -0.5442 0.1016 0.1016 0.1544 0.1544 0.3053 0.3053 0.3210 0.3210 0.3897 0.3897 0.4256 0.4256 0.7924 0.7924 0.8086 0.8086 8.1757 8.1757 8.1822 8.1822 8.2236 8.2236 8.2301 8.2301 9.4720 9.4720 k = 0.4672 0.4672-0.0000 ( 5170 PWs) bands (ev): -11.4879 -11.4879 -11.4825 -11.4825 -11.4790 -11.4790 -11.4786 -11.4786 -3.3047 -3.3047 -3.2966 -3.2966 -3.2583 -3.2583 -3.1943 -3.1943 -3.0280 -3.0280 -3.0234 -3.0234 -2.9179 -2.9179 -2.8036 -2.8036 -2.7255 -2.7255 -2.7078 -2.7078 -2.2425 -2.2425 -2.1965 -2.1965 -0.5772 -0.5772 -0.5416 -0.5416 0.0822 0.0822 0.1673 0.1673 0.2974 0.2974 0.3254 0.3254 0.3971 0.3971 0.4528 0.4528 0.7943 0.7943 0.8193 0.8193 8.1759 8.1759 8.1821 8.1821 8.2430 8.2430 8.2489 8.2489 9.4761 9.4761 k = 0.4590 0.4590-0.0000 ( 5172 PWs) bands (ev): -11.4926 -11.4926 -11.4855 -11.4855 -11.4802 -11.4802 -11.4791 -11.4791 -3.3071 -3.3071 -3.2996 -3.2996 -3.2646 -3.2646 -3.1887 -3.1887 -3.0296 -3.0296 -3.0226 -3.0226 -2.9312 -2.9312 -2.7926 -2.7926 -2.7268 -2.7268 -2.7046 -2.7046 -2.2398 -2.2398 -2.1834 -2.1834 -0.5910 -0.5910 -0.5384 -0.5384 0.0616 0.0616 0.1829 0.1829 0.2880 0.2880 0.3311 0.3311 0.4052 0.4052 0.4842 0.4842 0.7970 0.7970 0.8327 0.8327 8.1766 8.1766 8.1829 8.1829 8.2675 8.2675 8.2716 8.2716 9.4813 9.4813 k = 0.4508 0.4508-0.0000 ( 5174 PWs) bands (ev): -11.4983 -11.4983 -11.4894 -11.4894 -11.4820 -11.4820 -11.4793 -11.4793 -3.3096 -3.3096 -3.3048 -3.3048 -3.2692 -3.2692 -3.1840 -3.1840 -3.0316 -3.0316 -3.0217 -3.0217 -2.9433 -2.9433 -2.7830 -2.7830 -2.7282 -2.7282 -2.7014 -2.7014 -2.2350 -2.2350 -2.1688 -2.1688 -0.6064 -0.6064 -0.5344 -0.5344 0.0407 0.0407 0.2008 0.2008 0.2775 0.2775 0.3380 0.3380 0.4140 0.4140 0.5185 0.5185 0.8004 0.8004 0.8488 0.8488 8.1763 8.1763 8.1860 8.1860 8.2957 8.2957 8.2996 8.2996 9.4877 9.4877 k = 0.4426 0.4426-0.0000 ( 5174 PWs) bands (ev): -11.5050 -11.5050 -11.4939 -11.4939 -11.4841 -11.4841 -11.4794 -11.4794 -3.3130 -3.3130 -3.3113 -3.3113 -3.2721 -3.2721 -3.1803 -3.1803 -3.0342 -3.0342 -3.0206 -3.0206 -2.9540 -2.9540 -2.7752 -2.7752 -2.7294 -2.7294 -2.6982 -2.6982 -2.2279 -2.2279 -2.1527 -2.1527 -0.6230 -0.6230 -0.5298 -0.5298 0.0201 0.0201 0.2205 0.2205 0.2661 0.2661 0.3463 0.3463 0.4233 0.4233 0.5550 0.5550 0.8045 0.8045 0.8675 0.8675 8.1751 8.1751 8.1910 8.1910 8.3258 8.3258 8.3344 8.3344 9.4952 9.4952 k = 0.4344 0.4344-0.0000 ( 5178 PWs) bands (ev): -11.5127 -11.5127 -11.4992 -11.4992 -11.4864 -11.4864 -11.4795 -11.4795 -3.3210 -3.3210 -3.3147 -3.3147 -3.2742 -3.2742 -3.1777 -3.1777 -3.0374 -3.0374 -3.0193 -3.0193 -2.9629 -2.9629 -2.7689 -2.7689 -2.7307 -2.7307 -2.6954 -2.6954 -2.2186 -2.2186 -2.1349 -2.1349 -0.6401 -0.6401 -0.5244 -0.5244 0.0004 0.0004 0.2412 0.2412 0.2543 0.2543 0.3558 0.3558 0.4332 0.4332 0.5930 0.5930 0.8095 0.8095 0.8886 0.8886 8.1733 8.1733 8.1971 8.1971 8.3590 8.3590 8.3748 8.3748 9.5039 9.5039 k = 0.4262 0.4262-0.0000 ( 5178 PWs) bands (ev): -11.5214 -11.5214 -11.5051 -11.5051 -11.4891 -11.4891 -11.4796 -11.4796 -3.3302 -3.3302 -3.3177 -3.3177 -3.2759 -3.2759 -3.1760 -3.1760 -3.0412 -3.0412 -3.0178 -3.0178 -2.9700 -2.9700 -2.7641 -2.7641 -2.7322 -2.7322 -2.6930 -2.6930 -2.2069 -2.2069 -2.1156 -2.1156 -0.6574 -0.6574 -0.5184 -0.5184 -0.0183 -0.0183 0.2404 0.2404 0.2644 0.2644 0.3667 0.3667 0.4436 0.4436 0.6321 0.6321 0.8153 0.8153 0.9119 0.9119 8.1710 8.1710 8.2040 8.2040 8.3957 8.3957 8.4201 8.4201 9.5136 9.5136 k = 0.4180 0.4180-0.0000 ( 5178 PWs) bands (ev): -11.5309 -11.5309 -11.5117 -11.5117 -11.4920 -11.4920 -11.4797 -11.4797 -3.3399 -3.3399 -3.3208 -3.3208 -3.2778 -3.2778 -3.1752 -3.1752 -3.0456 -3.0456 -3.0161 -3.0161 -2.9752 -2.9752 -2.7607 -2.7607 -2.7337 -2.7337 -2.6913 -2.6913 -2.1930 -2.1930 -2.0947 -2.0947 -0.6743 -0.6743 -0.5117 -0.5117 -0.0358 -0.0358 0.2272 0.2272 0.2872 0.2872 0.3788 0.3788 0.4546 0.4546 0.6721 0.6721 0.8221 0.8221 0.9371 0.9371 8.1683 8.1683 8.2112 8.2112 8.4361 8.4361 8.4700 8.4700 9.5244 9.5244 k = 0.4098 0.4098-0.0000 ( 5180 PWs) bands (ev): -11.5414 -11.5414 -11.5189 -11.5189 -11.4953 -11.4953 -11.4799 -11.4799 -3.3497 -3.3497 -3.3242 -3.3242 -3.2801 -3.2801 -3.1753 -3.1753 -3.0505 -3.0505 -3.0143 -3.0143 -2.9785 -2.9785 -2.7586 -2.7586 -2.7355 -2.7355 -2.6905 -2.6905 -2.1770 -2.1770 -2.0721 -2.0721 -0.6905 -0.6905 -0.5043 -0.5043 -0.0518 -0.0518 0.2132 0.2132 0.3107 0.3107 0.3924 0.3924 0.4662 0.4662 0.7126 0.7126 0.8299 0.8299 0.9640 0.9640 8.1651 8.1651 8.2182 8.2182 8.4799 8.4799 8.5244 8.5244 9.5363 9.5363 k = 0.4016 0.4016-0.0000 ( 5194 PWs) bands (ev): -11.5527 -11.5527 -11.5267 -11.5267 -11.4988 -11.4988 -11.4800 -11.4800 -3.3595 -3.3595 -3.3277 -3.3277 -3.2830 -3.2830 -3.1760 -3.1760 -3.0555 -3.0555 -3.0122 -3.0122 -2.9804 -2.9804 -2.7575 -2.7575 -2.7376 -2.7376 -2.6908 -2.6908 -2.1590 -2.1590 -2.0480 -2.0480 -0.7056 -0.7056 -0.4962 -0.4962 -0.0664 -0.0664 0.1989 0.1989 0.3344 0.3344 0.4073 0.4073 0.4786 0.4786 0.7534 0.7534 0.8387 0.8387 0.9924 0.9924 8.1614 8.1614 8.2247 8.2247 8.5274 8.5274 8.5830 8.5830 9.5493 9.5493 k = 0.3934 0.3934-0.0000 ( 5190 PWs) bands (ev): -11.5649 -11.5649 -11.5351 -11.5351 -11.5025 -11.5025 -11.4802 -11.4802 -3.3690 -3.3690 -3.3313 -3.3313 -3.2867 -3.2867 -3.1774 -3.1774 -3.0604 -3.0604 -3.0100 -3.0100 -2.9810 -2.9810 -2.7573 -2.7573 -2.7400 -2.7400 -2.6920 -2.6920 -2.1391 -2.1391 -2.0223 -2.0223 -0.7194 -0.7194 -0.4874 -0.4874 -0.0794 -0.0794 0.1843 0.1843 0.3582 0.3582 0.4238 0.4238 0.4916 0.4916 0.7943 0.7943 0.8487 0.8487 1.0220 1.0220 8.1571 8.1571 8.2301 8.2301 8.5782 8.5782 8.6454 8.6454 9.5634 9.5634 k = 0.3852 0.3852-0.0000 ( 5190 PWs) bands (ev): -11.5778 -11.5778 -11.5441 -11.5441 -11.5066 -11.5066 -11.4804 -11.4804 -3.3784 -3.3784 -3.3352 -3.3352 -3.2910 -3.2910 -3.1792 -3.1792 -3.0651 -3.0651 -3.0075 -3.0075 -2.9807 -2.9807 -2.7581 -2.7581 -2.7427 -2.7427 -2.6943 -2.6943 -2.1175 -2.1175 -1.9951 -1.9951 -0.7315 -0.7315 -0.4780 -0.4780 -0.0909 -0.0909 0.1695 0.1695 0.3820 0.3820 0.4419 0.4419 0.5055 0.5055 0.8347 0.8347 0.8603 0.8603 1.0526 1.0526 8.1521 8.1521 8.2342 8.2342 8.6324 8.6324 8.7113 8.7113 9.5786 9.5786 k = 0.3770 0.3770-0.0000 ( 5182 PWs) bands (ev): -11.5914 -11.5914 -11.5536 -11.5536 -11.5109 -11.5109 -11.4806 -11.4806 -3.3875 -3.3875 -3.3392 -3.3392 -3.2961 -3.2961 -3.1814 -3.1814 -3.0694 -3.0694 -3.0047 -3.0047 -2.9798 -2.9798 -2.7597 -2.7597 -2.7456 -2.7456 -2.6975 -2.6975 -2.0944 -2.0944 -1.9664 -1.9664 -0.7419 -0.7419 -0.4679 -0.4679 -0.1008 -0.1008 0.1546 0.1546 0.4056 0.4056 0.4617 0.4617 0.5201 0.5201 0.8676 0.8676 0.8802 0.8802 1.0838 1.0838 8.1463 8.1463 8.2363 8.2363 8.6898 8.6898 8.7803 8.7803 9.5951 9.5951 k = 0.3689 0.3689-0.0000 ( 5180 PWs) bands (ev): -11.6058 -11.6058 -11.5636 -11.5636 -11.5154 -11.5154 -11.4808 -11.4808 -3.3962 -3.3962 -3.3433 -3.3433 -3.3018 -3.3018 -3.1840 -3.1840 -3.0733 -3.0733 -3.0016 -3.0016 -2.9786 -2.9786 -2.7622 -2.7622 -2.7488 -2.7488 -2.7017 -2.7017 -2.0699 -2.0699 -1.9365 -1.9365 -0.7502 -0.7502 -0.4571 -0.4571 -0.1090 -0.1090 0.1398 0.1398 0.4289 0.4289 0.4831 0.4831 0.5356 0.5356 0.8832 0.8832 0.9184 0.9184 1.1154 1.1154 8.1396 8.1396 8.2362 8.2362 8.7502 8.7502 8.8521 8.8521 9.6127 9.6127 k = 0.3607 0.3607-0.0000 ( 5180 PWs) bands (ev): -11.6208 -11.6208 -11.5741 -11.5741 -11.5201 -11.5201 -11.4810 -11.4810 -3.4047 -3.4047 -3.3476 -3.3476 -3.3081 -3.3081 -3.1869 -3.1869 -3.0766 -3.0766 -2.9983 -2.9983 -2.9770 -2.9770 -2.7656 -2.7656 -2.7520 -2.7520 -2.7068 -2.7068 -2.0442 -2.0442 -1.9053 -1.9053 -0.7564 -0.7564 -0.4456 -0.4456 -0.1156 -0.1156 0.1252 0.1252 0.4521 0.4521 0.5060 0.5060 0.5520 0.5520 0.8979 0.8979 0.9581 0.9581 1.1472 1.1472 8.1319 8.1319 8.2333 8.2333 8.8136 8.8136 8.9261 8.9261 9.6316 9.6316 k = 0.3525 0.3525-0.0000 ( 5180 PWs) bands (ev): -11.6364 -11.6364 -11.5851 -11.5851 -11.5251 -11.5251 -11.4813 -11.4813 -3.4127 -3.4127 -3.3520 -3.3520 -3.3149 -3.3149 -3.1902 -3.1902 -3.0794 -3.0794 -2.9948 -2.9948 -2.9753 -2.9753 -2.7699 -2.7699 -2.7552 -2.7552 -2.7126 -2.7126 -2.0172 -2.0172 -1.8732 -1.8732 -0.7603 -0.7603 -0.4334 -0.4334 -0.1205 -0.1205 0.1109 0.1109 0.4753 0.4753 0.5304 0.5304 0.5693 0.5693 0.9135 0.9135 0.9974 0.9974 1.1789 1.1789 8.1230 8.1230 8.2273 8.2273 8.8797 8.8797 9.0018 9.0018 9.6519 9.6519 k = 0.3443 0.3443-0.0000 ( 5184 PWs) bands (ev): -11.6525 -11.6525 -11.5965 -11.5965 -11.5303 -11.5303 -11.4816 -11.4816 -3.4204 -3.4204 -3.3566 -3.3566 -3.3221 -3.3221 -3.1939 -3.1939 -3.0819 -3.0819 -2.9912 -2.9912 -2.9735 -2.9735 -2.7750 -2.7750 -2.7585 -2.7585 -2.7192 -2.7192 -1.9891 -1.9891 -1.8401 -1.8401 -0.7619 -0.7619 -0.4206 -0.4206 -0.1239 -0.1239 0.0971 0.0971 0.4986 0.4986 0.5559 0.5559 0.5876 0.5876 0.9301 0.9301 1.0360 1.0360 1.2103 1.2103 8.1129 8.1129 8.2177 8.2177 8.9482 8.9482 9.0786 9.0786 9.6736 9.6736 k = 0.3361 0.3361-0.0000 ( 5189 PWs) bands (ev): -11.6692 -11.6692 -11.6082 -11.6082 -11.5356 -11.5356 -11.4819 -11.4819 -3.4277 -3.4277 -3.3612 -3.3612 -3.3295 -3.3295 -3.1979 -3.1979 -3.0839 -3.0839 -2.9876 -2.9876 -2.9715 -2.9715 -2.7809 -2.7809 -2.7618 -2.7618 -2.7264 -2.7264 -1.9599 -1.9599 -1.8064 -1.8064 -0.7610 -0.7610 -0.4071 -0.4071 -0.1257 -0.1257 0.0840 0.0840 0.5222 0.5222 0.5824 0.5824 0.6068 0.6068 0.9479 0.9479 1.0738 1.0738 1.2413 1.2413 8.1014 8.1014 8.2042 8.2042 9.0190 9.0190 9.1558 9.1558 9.6968 9.6968 k = 0.3279 0.3279-0.0000 ( 5185 PWs) bands (ev): -11.6863 -11.6863 -11.6204 -11.6204 -11.5412 -11.5412 -11.4822 -11.4822 -3.4345 -3.4345 -3.3659 -3.3659 -3.3370 -3.3370 -3.2023 -3.2023 -3.0857 -3.0857 -2.9842 -2.9842 -2.9693 -2.9693 -2.7872 -2.7872 -2.7652 -2.7652 -2.7341 -2.7341 -1.9298 -1.9298 -1.7722 -1.7722 -0.7577 -0.7577 -0.3928 -0.3928 -0.1259 -0.1259 0.0716 0.0716 0.5463 0.5463 0.6097 0.6097 0.6271 0.6271 0.9667 0.9667 1.1105 1.1105 1.2716 1.2716 8.0883 8.0883 8.1865 8.1865 9.0917 9.0917 9.2326 9.2326 9.7216 9.7216 k = 0.3197 0.3197-0.0000 ( 5193 PWs) bands (ev): -11.7038 -11.7038 -11.6328 -11.6328 -11.5469 -11.5469 -11.4826 -11.4826 -3.4410 -3.4410 -3.3706 -3.3706 -3.3446 -3.3446 -3.2070 -3.2070 -3.0874 -3.0874 -2.9812 -2.9812 -2.9669 -2.9669 -2.7939 -2.7939 -2.7687 -2.7687 -2.7423 -2.7423 -1.8988 -1.8988 -1.7376 -1.7376 -0.7519 -0.7519 -0.3779 -0.3779 -0.1245 -0.1245 0.0603 0.0603 0.5710 0.5710 0.6377 0.6377 0.6483 0.6483 0.9865 0.9865 1.1462 1.1462 1.3011 1.3011 8.0736 8.0736 8.1643 8.1643 9.1660 9.1660 9.3080 9.3080 9.7482 9.7482 k = 0.3115 0.3115-0.0000 ( 5199 PWs) bands (ev): -11.7216 -11.7216 -11.6456 -11.6456 -11.5527 -11.5527 -11.4830 -11.4830 -3.4471 -3.4471 -3.3753 -3.3753 -3.3521 -3.3521 -3.2119 -3.2119 -3.0891 -3.0891 -2.9787 -2.9787 -2.9640 -2.9640 -2.8009 -2.8009 -2.7724 -2.7724 -2.7507 -2.7507 -1.8668 -1.8668 -1.7030 -1.7030 -0.7436 -0.7436 -0.3623 -0.3623 -0.1217 -0.1217 0.0501 0.0501 0.5964 0.5964 0.6661 0.6661 0.6706 0.6706 1.0074 1.0074 1.1808 1.1808 1.3296 1.3296 8.0571 8.0571 8.1374 8.1374 9.2417 9.2417 9.3810 9.3810 9.7767 9.7767 k = 0.3033 0.3033-0.0000 ( 5203 PWs) bands (ev): -11.7398 -11.7398 -11.6586 -11.6586 -11.5587 -11.5587 -11.4834 -11.4834 -3.4529 -3.4529 -3.3801 -3.3801 -3.3596 -3.3596 -3.2171 -3.2171 -3.0908 -3.0908 -2.9769 -2.9769 -2.9609 -2.9609 -2.8079 -2.8079 -2.7764 -2.7764 -2.7592 -2.7592 -1.8341 -1.8341 -1.6685 -1.6685 -0.7328 -0.7328 -0.3459 -0.3459 -0.1173 -0.1173 0.0412 0.0412 0.6224 0.6224 0.6940 0.6940 0.6949 0.6949 1.0291 1.0291 1.2140 1.2140 1.3571 1.3571 8.0386 8.0386 8.1056 8.1056 9.3183 9.3183 9.4501 9.4501 9.8070 9.8070 k = 0.2951 0.2951-0.0000 ( 5203 PWs) bands (ev): -11.7582 -11.7582 -11.6718 -11.6718 -11.5648 -11.5648 -11.4838 -11.4838 -3.4582 -3.4582 -3.3848 -3.3848 -3.3668 -3.3668 -3.2224 -3.2224 -3.0927 -3.0927 -2.9757 -2.9757 -2.9576 -2.9576 -2.8148 -2.8148 -2.7813 -2.7813 -2.7672 -2.7672 -1.8005 -1.8005 -1.6344 -1.6344 -0.7195 -0.7195 -0.3288 -0.3288 -0.1116 -0.1116 0.0337 0.0337 0.6492 0.6492 0.7184 0.7184 0.7240 0.7240 1.0518 1.0518 1.2458 1.2458 1.3834 1.3834 8.0179 8.0179 8.0690 8.0690 9.3955 9.3955 9.5139 9.5139 9.8395 9.8395 k = 0.2869 0.2869-0.0000 ( 5207 PWs) bands (ev): -11.7768 -11.7768 -11.6853 -11.6853 -11.5711 -11.5711 -11.4843 -11.4843 -3.4631 -3.4631 -3.3895 -3.3895 -3.3738 -3.3738 -3.2279 -3.2279 -3.0949 -3.0949 -2.9750 -2.9750 -2.9546 -2.9546 -2.8215 -2.8215 -2.7878 -2.7878 -2.7736 -2.7736 -1.7662 -1.7662 -1.6007 -1.6007 -0.7039 -0.7039 -0.3110 -0.3110 -0.1044 -0.1044 0.0280 0.0280 0.6766 0.6766 0.7439 0.7439 0.7533 0.7533 1.0752 1.0752 1.2763 1.2763 1.4084 1.4084 7.9942 7.9942 8.0283 8.0283 9.4728 9.4728 9.5706 9.5706 9.8742 9.8742 k = 0.2787 0.2787-0.0000 ( 5211 PWs) bands (ev): -11.7956 -11.7956 -11.6988 -11.6988 -11.5774 -11.5774 -11.4848 -11.4848 -3.4678 -3.4678 -3.3942 -3.3942 -3.3806 -3.3806 -3.2335 -3.2335 -3.0974 -3.0974 -2.9747 -2.9747 -2.9520 -2.9520 -2.8276 -2.8276 -2.7961 -2.7961 -2.7783 -2.7783 -1.7311 -1.7311 -1.5678 -1.5678 -0.6858 -0.6858 -0.2925 -0.2925 -0.0959 -0.0959 0.0240 0.0240 0.7048 0.7048 0.7704 0.7704 0.7826 0.7826 1.0993 1.0993 1.3052 1.3052 1.4322 1.4322 7.9644 7.9644 7.9866 7.9866 9.5495 9.5495 9.6184 9.6184 9.9111 9.9111 k = 0.2705 0.2705-0.0000 ( 5207 PWs) bands (ev): -11.8144 -11.8144 -11.7125 -11.7125 -11.5837 -11.5837 -11.4853 -11.4853 -3.4720 -3.4720 -3.3988 -3.3988 -3.3869 -3.3869 -3.2392 -3.2392 -3.1002 -3.1002 -2.9750 -2.9750 -2.9502 -2.9502 -2.8331 -2.8331 -2.8056 -2.8056 -2.7816 -2.7816 -1.6955 -1.6955 -1.5358 -1.5358 -0.6655 -0.6655 -0.2733 -0.2733 -0.0862 -0.0862 0.0220 0.0220 0.7337 0.7337 0.7980 0.7980 0.8120 0.8120 1.1241 1.1241 1.3326 1.3326 1.4546 1.4546 7.9200 7.9200 7.9525 7.9525 9.6240 9.6240 9.6564 9.6564 9.9504 9.9504 k = 0.2623 0.2623-0.0000 ( 5195 PWs) bands (ev): -11.8333 -11.8333 -11.7263 -11.7263 -11.5902 -11.5902 -11.4858 -11.4858 -3.4760 -3.4760 -3.4035 -3.4035 -3.3928 -3.3928 -3.2449 -3.2449 -3.1034 -3.1034 -2.9756 -2.9756 -2.9495 -2.9495 -2.8376 -2.8376 -2.8154 -2.8154 -2.7841 -2.7841 -1.6592 -1.6592 -1.5049 -1.5049 -0.6429 -0.6429 -0.2534 -0.2534 -0.0752 -0.0752 0.0221 0.0221 0.7631 0.7631 0.8265 0.8265 0.8412 0.8412 1.1494 1.1494 1.3585 1.3585 1.4757 1.4757 7.8647 7.8647 7.9222 7.9222 9.6710 9.6710 9.7068 9.7068 9.9921 9.9921 k = 0.2541 0.2541-0.0000 ( 5193 PWs) bands (ev): -11.8522 -11.8522 -11.7401 -11.7401 -11.5966 -11.5966 -11.4863 -11.4863 -3.4796 -3.4796 -3.4083 -3.4083 -3.3983 -3.3983 -3.2507 -3.2507 -3.1070 -3.1070 -2.9768 -2.9768 -2.9499 -2.9499 -2.8416 -2.8416 -2.8251 -2.8251 -2.7860 -2.7860 -1.6223 -1.6223 -1.4754 -1.4754 -0.6182 -0.6182 -0.2329 -0.2329 -0.0631 -0.0631 0.0244 0.0244 0.7932 0.7932 0.8561 0.8561 0.8702 0.8702 1.1752 1.1752 1.3827 1.3827 1.4955 1.4955 7.8034 7.8034 7.8914 7.8914 9.6794 9.6794 9.7787 9.7787 10.0363 10.0363 k = 0.2459 0.2459-0.0000 ( 5199 PWs) bands (ev): -11.8710 -11.8710 -11.7539 -11.7539 -11.6031 -11.6031 -11.4869 -11.4869 -3.4830 -3.4830 -3.4132 -3.4132 -3.4032 -3.4032 -3.2565 -3.2565 -3.1111 -3.1111 -2.9785 -2.9785 -2.9517 -2.9517 -2.8461 -2.8461 -2.8330 -2.8330 -2.7874 -2.7874 -1.5850 -1.5850 -1.4473 -1.4473 -0.5914 -0.5914 -0.2117 -0.2117 -0.0498 -0.0498 0.0290 0.0290 0.8236 0.8236 0.8865 0.8865 0.8991 0.8991 1.2014 1.2014 1.4053 1.4053 1.5141 1.5141 7.7373 7.7373 7.8590 7.8590 9.6686 9.6686 9.8504 9.8504 10.0828 10.0828 k = 0.2377 0.2377-0.0000 ( 5193 PWs) bands (ev): -11.8897 -11.8897 -11.7677 -11.7677 -11.6096 -11.6096 -11.4875 -11.4875 -3.4861 -3.4861 -3.4180 -3.4180 -3.4075 -3.4075 -3.2622 -3.2622 -3.1154 -3.1154 -2.9808 -2.9808 -2.9549 -2.9549 -2.8536 -2.8536 -2.8366 -2.8366 -2.7881 -2.7881 -1.5472 -1.5472 -1.4209 -1.4209 -0.5627 -0.5627 -0.1899 -0.1899 -0.0355 -0.0355 0.0359 0.0359 0.8544 0.8544 0.9174 0.9174 0.9280 0.9280 1.2279 1.2279 1.4263 1.4263 1.5314 1.5314 7.6668 7.6668 7.8249 7.8249 9.6398 9.6398 9.9202 9.9202 10.1317 10.1317 k = 0.2295 0.2295-0.0000 ( 5205 PWs) bands (ev): -11.9083 -11.9083 -11.7814 -11.7814 -11.6161 -11.6161 -11.4881 -11.4881 -3.4890 -3.4890 -3.4229 -3.4229 -3.4115 -3.4115 -3.2680 -3.2680 -3.1201 -3.1201 -2.9836 -2.9836 -2.9592 -2.9592 -2.8634 -2.8634 -2.8368 -2.8368 -2.7885 -2.7885 -1.5091 -1.5091 -1.3962 -1.3962 -0.5321 -0.5321 -0.1676 -0.1676 -0.0203 -0.0203 0.0452 0.0452 0.8854 0.8854 0.9480 0.9480 0.9576 0.9576 1.2546 1.2546 1.4457 1.4457 1.5476 1.5476 7.5924 7.5924 7.7892 7.7892 9.5939 9.5939 9.9873 9.9873 10.1815 10.1816 k = 0.2213 0.2213-0.0000 ( 5205 PWs) bands (ev): -11.9266 -11.9266 -11.7950 -11.7950 -11.6226 -11.6226 -11.4887 -11.4887 -3.4917 -3.4917 -3.4278 -3.4278 -3.4149 -3.4149 -3.2737 -3.2737 -3.1250 -3.1250 -2.9871 -2.9871 -2.9643 -2.9643 -2.8740 -2.8740 -2.8351 -2.8351 -2.7882 -2.7882 -1.4707 -1.4707 -1.3733 -1.3733 -0.4996 -0.4996 -0.1447 -0.1447 -0.0042 -0.0042 0.0569 0.0569 0.9163 0.9163 0.9768 0.9768 0.9893 0.9893 1.2813 1.2813 1.4634 1.4634 1.5628 1.5628 7.5145 7.5145 7.7520 7.7520 9.5327 9.5327 10.0512 10.0512 10.1958 10.1958 k = 0.2131 0.2131-0.0000 ( 5211 PWs) bands (ev): -11.9447 -11.9447 -11.8085 -11.8085 -11.6290 -11.6290 -11.4894 -11.4894 -3.4942 -3.4942 -3.4325 -3.4325 -3.4180 -3.4180 -3.2794 -3.2794 -3.1302 -3.1302 -2.9912 -2.9912 -2.9701 -2.9701 -2.8849 -2.8849 -2.8323 -2.8323 -2.7876 -2.7876 -1.4321 -1.4321 -1.3523 -1.3523 -0.4655 -0.4655 -0.1215 -0.1215 0.0127 0.0127 0.0709 0.0709 0.9467 0.9467 1.0040 1.0040 1.0232 1.0232 1.3081 1.3081 1.4796 1.4796 1.5772 1.5772 7.4335 7.4335 7.7134 7.7134 9.4588 9.4588 10.0725 10.0725 10.1175 10.1175 k = 0.2049 0.2049-0.0000 ( 5199 PWs) bands (ev): -11.9625 -11.9625 -11.8218 -11.8218 -11.6353 -11.6353 -11.4900 -11.4900 -3.4965 -3.4965 -3.4370 -3.4370 -3.4207 -3.4207 -3.2850 -3.2850 -3.1354 -3.1354 -2.9960 -2.9960 -2.9762 -2.9762 -2.8956 -2.8956 -2.8287 -2.8287 -2.7864 -2.7864 -1.3933 -1.3933 -1.3331 -1.3331 -0.4298 -0.4298 -0.0978 -0.0978 0.0303 0.0303 0.0872 0.0872 0.9761 0.9761 1.0303 1.0303 1.0585 1.0585 1.3349 1.3349 1.4942 1.4942 1.5909 1.5909 7.3498 7.3498 7.6736 7.6736 9.3749 9.3749 9.9475 9.9475 10.1722 10.1722 k = 0.1967 0.1967-0.0000 ( 5191 PWs) bands (ev): -11.9800 -11.9800 -11.8348 -11.8348 -11.6415 -11.6415 -11.4907 -11.4907 -3.4986 -3.4986 -3.4413 -3.4413 -3.4230 -3.4230 -3.2906 -3.2906 -3.1408 -3.1408 -3.0014 -3.0014 -2.9825 -2.9825 -2.9063 -2.9063 -2.8246 -2.8246 -2.7849 -2.7849 -1.3545 -1.3545 -1.3159 -1.3159 -0.3926 -0.3926 -0.0738 -0.0738 0.0485 0.0485 0.1055 0.1055 1.0037 1.0037 1.0565 1.0565 1.0949 1.0949 1.3614 1.3614 1.5073 1.5073 1.6040 1.6040 7.2638 7.2638 7.6327 7.6327 9.2834 9.2834 9.8209 9.8209 10.2261 10.2261 k = 0.1885 0.1885-0.0000 ( 5197 PWs) bands (ev): -11.9971 -11.9971 -11.8477 -11.8477 -11.6477 -11.6477 -11.4913 -11.4913 -3.5007 -3.5007 -3.4455 -3.4455 -3.4251 -3.4251 -3.2962 -3.2962 -3.1462 -3.1462 -3.0074 -3.0074 -2.9888 -2.9888 -2.9169 -2.9169 -2.8202 -2.8202 -2.7831 -2.7831 -1.3159 -1.3159 -1.3005 -1.3005 -0.3541 -0.3541 -0.0496 -0.0496 0.0672 0.0672 0.1258 0.1258 1.0284 1.0284 1.0833 1.0833 1.1323 1.1323 1.3877 1.3877 1.5189 1.5189 1.6169 1.6169 7.1759 7.1759 7.5910 7.5910 9.1867 9.1867 9.6964 9.6964 10.2766 10.2766 k = 0.1803 0.1803-0.0000 ( 5199 PWs) bands (ev): -12.0137 -12.0137 -11.8602 -11.8602 -11.6537 -11.6537 -11.4920 -11.4920 -3.5025 -3.5025 -3.4496 -3.4496 -3.4269 -3.4269 -3.3017 -3.3017 -3.1515 -3.1515 -3.0140 -3.0140 -2.9950 -2.9950 -2.9272 -2.9272 -2.8156 -2.8156 -2.7810 -2.7810 -1.2872 -1.2872 -1.2769 -1.2769 -0.3142 -0.3142 -0.0252 -0.0252 0.0862 0.0862 0.1479 0.1479 1.0495 1.0495 1.1112 1.1112 1.1705 1.1705 1.4137 1.4137 1.5292 1.5292 1.6296 1.6296 7.0867 7.0867 7.5487 7.5487 9.0866 9.0866 9.5748 9.5748 10.3233 10.3233 k = 0.1721 0.1721-0.0000 ( 5199 PWs) bands (ev): -12.0299 -12.0299 -11.8724 -11.8724 -11.6596 -11.6596 -11.4927 -11.4927 -3.5043 -3.5043 -3.4534 -3.4534 -3.4283 -3.4283 -3.3071 -3.3071 -3.1568 -3.1568 -3.0209 -3.0209 -3.0012 -3.0012 -2.9371 -2.9371 -2.8109 -2.8109 -2.7786 -2.7786 -1.2752 -1.2752 -1.2387 -1.2387 -0.2732 -0.2732 -0.0008 -0.0008 0.1054 0.1054 0.1716 0.1716 1.0667 1.0667 1.1403 1.1403 1.2094 1.2094 1.4393 1.4393 1.5381 1.5381 1.6424 1.6424 6.9965 6.9965 7.5059 7.5059 8.9848 8.9848 9.4563 9.4563 10.3661 10.3661 k = 0.1639 0.1639-0.0000 ( 5191 PWs) bands (ev): -12.0456 -12.0456 -11.8843 -11.8843 -11.6654 -11.6654 -11.4933 -11.4933 -3.5059 -3.5059 -3.4571 -3.4571 -3.4294 -3.4294 -3.3125 -3.3125 -3.1620 -3.1620 -3.0281 -3.0281 -3.0073 -3.0073 -2.9467 -2.9467 -2.8061 -2.8061 -2.7761 -2.7761 -1.2649 -1.2649 -1.2006 -1.2006 -0.2312 -0.2312 0.0235 0.0235 0.1248 0.1248 0.1965 0.1965 1.0799 1.0799 1.1701 1.1701 1.2490 1.2490 1.4643 1.4643 1.5458 1.5458 1.6554 1.6554 6.9059 6.9059 7.4631 7.4631 8.8826 8.8826 9.3413 9.3413 10.4051 10.4051 k = 0.1557 0.1557-0.0000 ( 5207 PWs) bands (ev): -12.0608 -12.0608 -11.8958 -11.8958 -11.6709 -11.6709 -11.4940 -11.4940 -3.5075 -3.5075 -3.4606 -3.4606 -3.4304 -3.4304 -3.3179 -3.3179 -3.1670 -3.1670 -3.0354 -3.0354 -3.0135 -3.0135 -2.9559 -2.9559 -2.8015 -2.8015 -2.7735 -2.7735 -1.2561 -1.2561 -1.1631 -1.1631 -0.1882 -0.1882 0.0477 0.0477 0.1441 0.1441 0.2225 0.2225 1.0894 1.0894 1.2002 1.2002 1.2890 1.2890 1.4888 1.4888 1.5524 1.5524 1.6687 1.6687 6.8151 6.8151 7.4203 7.4203 8.7809 8.7809 9.2300 9.2300 10.4403 10.4403 k = 0.1475 0.1475-0.0000 ( 5211 PWs) bands (ev): -12.0754 -12.0754 -11.9070 -11.9070 -11.6763 -11.6763 -11.4946 -11.4946 -3.5089 -3.5089 -3.4639 -3.4639 -3.4310 -3.4310 -3.3231 -3.3231 -3.1718 -3.1718 -3.0426 -3.0426 -3.0198 -3.0198 -2.9645 -2.9645 -2.7970 -2.7970 -2.7708 -2.7708 -1.2486 -1.2486 -1.1261 -1.1261 -0.1443 -0.1443 0.0715 0.0715 0.1633 0.1633 0.2493 0.2493 1.0952 1.0952 1.2303 1.2303 1.3294 1.3294 1.5126 1.5126 1.5580 1.5580 1.6824 1.6824 6.7247 6.7247 7.3778 7.3778 8.6808 8.6808 9.1227 9.1227 10.4717 10.4717 k = 0.1393 0.1393-0.0000 ( 5209 PWs) bands (ev): -12.0894 -12.0894 -11.9176 -11.9176 -11.6815 -11.6815 -11.4953 -11.4953 -3.5102 -3.5102 -3.4671 -3.4671 -3.4314 -3.4314 -3.3283 -3.3283 -3.1763 -3.1763 -3.0498 -3.0498 -3.0260 -3.0260 -2.9726 -2.9726 -2.7925 -2.7925 -2.7680 -2.7680 -1.2423 -1.2423 -1.0898 -1.0898 -0.0998 -0.0998 0.0949 0.0949 0.1822 0.1822 0.2765 0.2765 1.0975 1.0975 1.2600 1.2600 1.3698 1.3698 1.5355 1.5355 1.5630 1.5630 1.6965 1.6965 6.6352 6.6352 7.3359 7.3359 8.5829 8.5829 9.0197 9.0197 10.4997 10.4997 k = 0.1311 0.1311-0.0000 ( 5201 PWs) bands (ev): -12.1028 -12.1028 -11.9278 -11.9278 -11.6865 -11.6865 -11.4959 -11.4959 -3.5114 -3.5114 -3.4701 -3.4701 -3.4315 -3.4315 -3.3333 -3.3333 -3.1805 -3.1805 -3.0567 -3.0567 -3.0324 -3.0324 -2.9801 -2.9801 -2.7882 -2.7882 -2.7653 -2.7653 -1.2370 -1.2370 -1.0544 -1.0544 -0.0547 -0.0547 0.1178 0.1178 0.2009 0.2009 0.3039 0.3039 1.0963 1.0963 1.2891 1.2891 1.4100 1.4100 1.5559 1.5559 1.5690 1.5690 1.7110 1.7110 6.5470 6.5470 7.2949 7.2949 8.4878 8.4878 8.9211 8.9211 10.5242 10.5242 k = 0.1230 0.1230-0.0000 ( 5199 PWs) bands (ev): -12.1155 -12.1155 -11.9376 -11.9376 -11.6913 -11.6913 -11.4965 -11.4965 -3.5125 -3.5125 -3.4730 -3.4730 -3.4314 -3.4314 -3.3383 -3.3383 -3.1845 -3.1845 -3.0635 -3.0635 -3.0388 -3.0388 -2.9871 -2.9871 -2.7842 -2.7842 -2.7626 -2.7626 -1.2328 -1.2328 -1.0200 -1.0200 -0.0091 -0.0091 0.1399 0.1399 0.2191 0.2191 0.3312 0.3312 1.0918 1.0918 1.3174 1.3174 1.4497 1.4497 1.5658 1.5658 1.5842 1.5842 1.7257 1.7257 6.4605 6.4605 7.2549 7.2549 8.3962 8.3962 8.8272 8.8272 10.5455 10.5455 k = 0.1148 0.1148-0.0000 ( 5207 PWs) bands (ev): -12.1276 -12.1276 -11.9468 -11.9468 -11.6958 -11.6958 -11.4971 -11.4971 -3.5136 -3.5136 -3.4757 -3.4757 -3.4312 -3.4312 -3.3431 -3.3431 -3.1882 -3.1882 -3.0699 -3.0699 -3.0451 -3.0451 -2.9935 -2.9935 -2.7803 -2.7803 -2.7599 -2.7599 -1.2293 -1.2293 -0.9867 -0.9867 0.0367 0.0367 0.1612 0.1612 0.2367 0.2367 0.3581 0.3581 1.0841 1.0841 1.3447 1.3447 1.4883 1.4883 1.5693 1.5693 1.6049 1.6049 1.7406 1.7406 6.3763 6.3763 7.2162 7.2162 8.3084 8.3084 8.7382 8.7382 10.5637 10.5637 k = 0.1066 0.1066-0.0000 ( 5203 PWs) bands (ev): -12.1389 -12.1389 -11.9555 -11.9555 -11.7000 -11.7000 -11.4976 -11.4976 -3.5145 -3.5145 -3.4783 -3.4783 -3.4308 -3.4308 -3.3478 -3.3478 -3.1915 -3.1915 -3.0761 -3.0761 -3.0514 -3.0514 -2.9994 -2.9994 -2.7767 -2.7767 -2.7573 -2.7573 -1.2265 -1.2265 -0.9547 -0.9547 0.0828 0.0828 0.1816 0.1816 0.2538 0.2538 0.3843 0.3843 1.0733 1.0733 1.3708 1.3708 1.5249 1.5249 1.5721 1.5721 1.6261 1.6261 1.7556 1.7556 6.2948 6.2948 7.1790 7.1790 8.2249 8.2249 8.6543 8.6543 10.5791 10.5791 k = 0.0984 0.0984-0.0000 ( 5209 PWs) bands (ev): -12.1494 -12.1494 -11.9636 -11.9636 -11.7040 -11.7040 -11.4982 -11.4982 -3.5153 -3.5153 -3.4807 -3.4807 -3.4302 -3.4302 -3.3524 -3.3524 -3.1946 -3.1946 -3.0819 -3.0819 -3.0576 -3.0576 -3.0047 -3.0047 -2.7733 -2.7733 -2.7549 -2.7549 -1.2244 -1.2244 -0.9242 -0.9242 0.1288 0.1288 0.2009 0.2009 0.2701 0.2701 0.4097 0.4097 1.0597 1.0597 1.3956 1.3956 1.5559 1.5559 1.5777 1.5777 1.6476 1.6476 1.7703 1.7703 6.2164 6.2164 7.1436 7.1436 8.1460 8.1460 8.5757 8.5757 10.5919 10.5919 k = 0.0902 0.0902-0.0000 ( 5217 PWs) bands (ev): -12.1592 -12.1592 -11.9712 -11.9712 -11.7077 -11.7077 -11.4987 -11.4987 -3.5160 -3.5160 -3.4830 -3.4830 -3.4296 -3.4296 -3.3567 -3.3567 -3.1974 -3.1974 -3.0873 -3.0873 -3.0635 -3.0635 -3.0095 -3.0095 -2.7702 -2.7702 -2.7526 -2.7526 -1.2227 -1.2227 -0.8953 -0.8953 0.1746 0.1746 0.2190 0.2190 0.2856 0.2856 0.4339 0.4339 1.0434 1.0434 1.4188 1.4188 1.5680 1.5680 1.5986 1.5986 1.6700 1.6700 1.7848 1.7848 6.1418 6.1418 7.1102 7.1102 8.0722 8.0722 8.5026 8.5026 10.6024 10.6024 k = 0.0820 0.0820-0.0000 ( 5227 PWs) bands (ev): -12.1683 -12.1683 -11.9782 -11.9782 -11.7112 -11.7112 -11.4991 -11.4991 -3.5167 -3.5167 -3.4851 -3.4851 -3.4288 -3.4288 -3.3609 -3.3609 -3.1998 -3.1998 -3.0924 -3.0924 -3.0692 -3.0692 -3.0138 -3.0138 -2.7673 -2.7673 -2.7505 -2.7505 -1.2215 -1.2215 -0.8682 -0.8682 0.2196 0.2196 0.2364 0.2364 0.3003 0.3003 0.4568 0.4568 1.0246 1.0246 1.4403 1.4403 1.5704 1.5704 1.6249 1.6249 1.6936 1.6936 1.7989 1.7989 6.0714 6.0714 7.0789 7.0789 8.0037 8.0037 8.4351 8.4351 10.6108 10.6108 k = 0.0738 0.0738-0.0000 ( 5223 PWs) bands (ev): -12.1765 -12.1765 -11.9845 -11.9845 -11.7143 -11.7143 -11.4995 -11.4995 -3.5172 -3.5172 -3.4871 -3.4871 -3.4279 -3.4279 -3.3648 -3.3648 -3.2020 -3.2020 -3.0970 -3.0970 -3.0745 -3.0745 -3.0176 -3.0176 -2.7647 -2.7647 -2.7484 -2.7484 -1.2205 -1.2205 -0.8430 -0.8430 0.2493 0.2493 0.2670 0.2670 0.3139 0.3139 0.4783 0.4783 1.0036 1.0036 1.4599 1.4599 1.5716 1.5716 1.6478 1.6478 1.7185 1.7185 1.8123 1.8123 6.0056 6.0056 7.0501 7.0501 7.9409 7.9409 8.3736 8.3736 10.6173 10.6173 k = 0.0656 0.0656-0.0000 ( 5227 PWs) bands (ev): -12.1839 -12.1839 -11.9902 -11.9902 -11.7172 -11.7172 -11.4999 -11.4999 -3.5176 -3.5176 -3.4889 -3.4889 -3.4269 -3.4269 -3.3685 -3.3685 -3.2039 -3.2039 -3.1011 -3.1011 -3.0795 -3.0795 -3.0210 -3.0210 -2.7624 -2.7624 -2.7466 -2.7466 -1.2199 -1.2199 -0.8199 -0.8199 0.2638 0.2638 0.3106 0.3106 0.3265 0.3265 0.4981 0.4981 0.9806 0.9806 1.4773 1.4773 1.5727 1.5727 1.6667 1.6667 1.7439 1.7439 1.8251 1.8251 5.9451 5.9451 7.0237 7.0237 7.8839 7.8839 8.3180 8.3180 10.6223 10.6223 k = 0.0574 0.0574-0.0000 ( 5223 PWs) bands (ev): -12.1905 -12.1905 -11.9953 -11.9953 -11.7197 -11.7197 -11.5003 -11.5003 -3.5180 -3.5180 -3.4905 -3.4905 -3.4259 -3.4259 -3.3718 -3.3718 -3.2055 -3.2055 -3.1048 -3.1048 -3.0839 -3.0839 -3.0239 -3.0239 -2.7603 -2.7603 -2.7449 -2.7449 -1.2195 -1.2195 -0.7991 -0.7991 0.2760 0.2760 0.3378 0.3378 0.3539 0.3539 0.5162 0.5162 0.9558 0.9558 1.4924 1.4924 1.5739 1.5739 1.6821 1.6821 1.7686 1.7686 1.8372 1.8372 5.8902 5.8902 7.0001 7.0001 7.8330 7.8330 8.2686 8.2686 10.6259 10.6259 k = 0.0492 0.0492-0.0000 ( 5235 PWs) bands (ev): -12.1962 -12.1962 -11.9998 -11.9998 -11.7219 -11.7219 -11.5006 -11.5006 -3.5183 -3.5183 -3.4920 -3.4920 -3.4250 -3.4250 -3.3749 -3.3749 -3.2069 -3.2069 -3.1081 -3.1081 -3.0879 -3.0879 -3.0264 -3.0264 -2.7585 -2.7585 -2.7435 -2.7435 -1.2192 -1.2192 -0.7807 -0.7807 0.2866 0.2866 0.3479 0.3479 0.3955 0.3955 0.5326 0.5326 0.9297 0.9297 1.5049 1.5049 1.5757 1.5757 1.6948 1.6948 1.7911 1.7911 1.8486 1.8486 5.8415 5.8415 6.9793 6.9793 7.7885 7.7885 8.2254 8.2254 10.6284 10.6284 k = 0.0410 0.0410-0.0000 ( 5227 PWs) bands (ev): -12.2010 -12.2010 -12.0035 -12.0035 -11.7237 -11.7237 -11.5008 -11.5008 -3.5185 -3.5185 -3.4932 -3.4932 -3.4240 -3.4240 -3.3776 -3.3776 -3.2080 -3.2080 -3.1109 -3.1109 -3.0913 -3.0913 -3.0285 -3.0285 -2.7569 -2.7569 -2.7423 -2.7423 -1.2190 -1.2190 -0.7649 -0.7649 0.2955 0.2955 0.3567 0.3567 0.4348 0.4348 0.5474 0.5474 0.9028 0.9028 1.5147 1.5147 1.5780 1.5780 1.7051 1.7051 1.8106 1.8106 1.8594 1.8594 5.7994 5.7994 6.9615 6.9615 7.7505 7.7505 8.1887 8.1887 10.6300 10.6301 k = 0.0328 0.0328-0.0000 ( 5213 PWs) bands (ev): -12.2050 -12.2050 -12.0066 -12.0066 -11.7253 -11.7253 -11.5011 -11.5011 -3.5185 -3.5185 -3.4943 -3.4943 -3.4230 -3.4230 -3.3799 -3.3799 -3.2089 -3.2089 -3.1131 -3.1131 -3.0941 -3.0941 -3.0302 -3.0302 -2.7556 -2.7556 -2.7412 -2.7412 -1.2189 -1.2189 -0.7517 -0.7517 0.3028 0.3028 0.3640 0.3640 0.4708 0.4708 0.5609 0.5609 0.8757 0.8757 1.5220 1.5220 1.5807 1.5807 1.7133 1.7133 1.8262 1.8262 1.8694 1.8694 5.7643 5.7643 6.9467 6.9467 7.7192 7.7192 8.1585 8.1585 10.6230 10.6230 k = 0.0246 0.0246-0.0000 ( 5213 PWs) bands (ev): -12.2081 -12.2081 -12.0091 -12.0091 -11.7265 -11.7265 -11.5012 -11.5012 -3.5186 -3.5186 -3.4951 -3.4951 -3.4222 -3.4222 -3.3818 -3.3818 -3.2095 -3.2095 -3.1149 -3.1149 -3.0964 -3.0964 -3.0316 -3.0316 -2.7547 -2.7547 -2.7404 -2.7404 -1.2189 -1.2189 -0.7414 -0.7414 0.3084 0.3084 0.3698 0.3698 0.5013 0.5013 0.5738 0.5738 0.8498 0.8498 1.5270 1.5270 1.5835 1.5835 1.7196 1.7196 1.8378 1.8378 1.8783 1.8783 5.7367 5.7367 6.9352 6.9352 7.6947 7.6947 8.1350 8.1350 10.6085 10.6085 k = 0.0164 0.0164-0.0000 ( 5205 PWs) bands (ev): -12.2104 -12.2104 -12.0108 -12.0108 -11.7273 -11.7273 -11.5014 -11.5014 -3.5187 -3.5187 -3.4957 -3.4957 -3.4216 -3.4216 -3.3832 -3.3832 -3.2100 -3.2100 -3.1161 -3.1161 -3.0980 -3.0980 -3.0324 -3.0324 -2.7540 -2.7540 -2.7398 -2.7398 -1.2189 -1.2189 -0.7339 -0.7339 0.3124 0.3124 0.3740 0.3740 0.5239 0.5239 0.5866 0.5866 0.8269 0.8269 1.5301 1.5301 1.5860 1.5860 1.7240 1.7240 1.8457 1.8457 1.8854 1.8854 5.7167 5.7167 6.9269 6.9269 7.6771 7.6771 8.1181 8.1181 10.5980 10.5980 k = 0.0082 0.0082-0.0000 ( 5205 PWs) bands (ev): -12.2117 -12.2117 -12.0118 -12.0118 -11.7278 -11.7278 -11.5014 -11.5014 -3.5187 -3.5187 -3.4961 -3.4961 -3.4213 -3.4213 -3.3841 -3.3841 -3.2103 -3.2103 -3.1169 -3.1169 -3.0990 -3.0990 -3.0330 -3.0330 -2.7536 -2.7536 -2.7395 -2.7395 -1.2189 -1.2189 -0.7294 -0.7294 0.3148 0.3148 0.3765 0.3765 0.5371 0.5371 0.5976 0.5976 0.8103 0.8103 1.5318 1.5318 1.5876 1.5876 1.7267 1.7267 1.8501 1.8501 1.8900 1.8900 5.7046 5.7046 6.9219 6.9219 7.6665 7.6665 8.1079 8.1079 10.5916 10.5916 k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -12.2121 -12.2121 -12.0122 -12.0122 -11.7280 -11.7280 -11.5015 -11.5015 -3.5188 -3.5188 -3.4962 -3.4962 -3.4211 -3.4211 -3.3843 -3.3843 -3.2104 -3.2104 -3.1172 -3.1172 -3.0993 -3.0993 -3.0331 -3.0331 -2.7535 -2.7535 -2.7393 -2.7393 -1.2189 -1.2189 -0.7279 -0.7279 0.3156 0.3156 0.3774 0.3774 0.5412 0.5412 0.6022 0.6022 0.8041 0.8041 1.5323 1.5323 1.5882 1.5882 1.7275 1.7275 1.8516 1.8516 1.8917 1.8917 5.7005 5.7005 6.9202 6.9202 7.6630 7.6630 8.1045 8.1045 10.5894 10.5894 k = 0.0000 0.0000 0.0000 ( 5203 PWs) bands (ev): -12.2121 -12.2121 -12.0122 -12.0122 -11.7280 -11.7280 -11.5015 -11.5015 -3.5188 -3.5188 -3.4962 -3.4962 -3.4211 -3.4211 -3.3843 -3.3843 -3.2104 -3.2104 -3.1172 -3.1172 -3.0993 -3.0993 -3.0331 -3.0331 -2.7535 -2.7535 -2.7393 -2.7393 -1.2189 -1.2189 -0.7279 -0.7279 0.3156 0.3156 0.3774 0.3774 0.5412 0.5412 0.6022 0.6022 0.8041 0.8041 1.5323 1.5323 1.5882 1.5882 1.7275 1.7275 1.8516 1.8516 1.8917 1.8917 5.7005 5.7005 6.9202 6.9202 7.6630 7.6630 8.1045 8.1045 10.5894 10.5894 k = 0.0000 0.0000 0.0116 ( 5215 PWs) bands (ev): -12.2118 -12.2118 -12.0132 -12.0132 -11.7270 -11.7270 -11.5019 -11.5019 -3.5187 -3.5187 -3.4963 -3.4963 -3.4210 -3.4210 -3.3845 -3.3845 -3.2103 -3.2103 -3.1184 -3.1184 -3.0981 -3.0981 -3.0333 -3.0333 -2.7534 -2.7534 -2.7394 -2.7394 -1.2178 -1.2178 -0.7298 -0.7298 0.3161 0.3161 0.3778 0.3778 0.5405 0.5405 0.6014 0.6014 0.8070 0.8070 1.5332 1.5332 1.5890 1.5890 1.7253 1.7253 1.8506 1.8506 1.8910 1.8910 5.7039 5.7039 6.9167 6.9167 7.6642 7.6642 8.1033 8.1033 10.5882 10.5882 k = 0.0000 0.0000 0.0231 ( 5207 PWs) bands (ev): -12.2106 -12.2106 -12.0160 -12.0160 -11.7239 -11.7239 -11.5032 -11.5032 -3.5185 -3.5185 -3.4966 -3.4966 -3.4206 -3.4206 -3.3847 -3.3847 -3.2098 -3.2098 -3.1216 -3.1216 -3.0953 -3.0953 -3.0336 -3.0336 -2.7533 -2.7533 -2.7396 -2.7396 -1.2147 -1.2147 -0.7354 -0.7354 0.3175 0.3175 0.3792 0.3792 0.5384 0.5384 0.5992 0.5992 0.8155 0.8155 1.5357 1.5357 1.5912 1.5912 1.7186 1.7186 1.8479 1.8479 1.8893 1.8893 5.7141 5.7141 6.9063 6.9063 7.6676 7.6676 8.0996 8.0996 10.5847 10.5847 k = 0.0000 0.0000 0.0347 ( 5207 PWs) bands (ev): -12.2088 -12.2088 -12.0207 -12.0207 -11.7189 -11.7189 -11.5055 -11.5055 -3.5182 -3.5182 -3.4970 -3.4970 -3.4199 -3.4199 -3.3852 -3.3852 -3.2091 -3.2091 -3.1256 -3.1256 -3.0916 -3.0916 -3.0339 -3.0339 -2.7532 -2.7532 -2.7398 -2.7398 -1.2094 -1.2094 -0.7445 -0.7445 0.3199 0.3199 0.3814 0.3814 0.5350 0.5350 0.5957 0.5957 0.8296 0.8296 1.5398 1.5398 1.5949 1.5949 1.7073 1.7073 1.8437 1.8437 1.8863 1.8863 5.7309 5.7309 6.8891 6.8891 7.6734 7.6734 8.0934 8.0934 10.5790 10.5790 k = 0.0000 0.0000 0.0462 ( 5215 PWs) bands (ev): -12.2062 -12.2062 -12.0268 -12.0268 -11.7122 -11.7122 -11.5086 -11.5086 -3.5179 -3.5179 -3.4975 -3.4975 -3.4192 -3.4192 -3.3858 -3.3858 -3.2082 -3.2082 -3.1301 -3.1301 -3.0877 -3.0877 -3.0345 -3.0345 -2.7530 -2.7530 -2.7401 -2.7401 -1.2021 -1.2021 -0.7570 -0.7570 0.3233 0.3233 0.3845 0.3845 0.5303 0.5303 0.5908 0.5908 0.8488 0.8488 1.5454 1.5454 1.5999 1.5999 1.6916 1.6916 1.8382 1.8382 1.8822 1.8822 5.7540 5.7540 6.8653 6.8653 7.6814 7.6814 8.0849 8.0849 10.5715 10.5715 k = 0.0000 0.0000 0.0578 ( 5211 PWs) bands (ev): -12.2028 -12.2028 -12.0343 -12.0343 -11.7041 -11.7041 -11.5125 -11.5125 -3.5175 -3.5175 -3.4982 -3.4982 -3.4181 -3.4181 -3.3865 -3.3865 -3.2070 -3.2070 -3.1348 -3.1348 -3.0837 -3.0837 -3.0352 -3.0352 -2.7527 -2.7527 -2.7405 -2.7405 -1.1928 -1.1928 -0.7724 -0.7724 0.3275 0.3275 0.3884 0.3884 0.5245 0.5245 0.5846 0.5846 0.8730 0.8730 1.5524 1.5524 1.6058 1.6058 1.6714 1.6714 1.8317 1.8317 1.8770 1.8770 5.7833 5.7833 6.8353 6.8353 7.6916 7.6916 8.0741 8.0741 10.5626 10.5626 k = 0.0000 0.0000 0.0694 ( 5215 PWs) bands (ev): -12.1988 -12.1988 -12.0428 -12.0428 -11.6949 -11.6949 -11.5173 -11.5173 -3.5170 -3.5170 -3.4991 -3.4991 -3.4169 -3.4169 -3.3874 -3.3874 -3.2055 -3.2055 -3.1395 -3.1395 -3.0798 -3.0798 -3.0360 -3.0360 -2.7524 -2.7524 -2.7409 -2.7409 -1.1815 -1.1815 -0.7904 -0.7904 0.3326 0.3326 0.3929 0.3929 0.5177 0.5177 0.5774 0.5774 0.9016 0.9016 1.5607 1.5607 1.6117 1.6117 1.6478 1.6478 1.8246 1.8246 1.8708 1.8708 5.8182 5.8182 6.7995 6.7995 7.7038 7.7038 8.0612 8.0612 10.5528 10.5528 k = 0.0000 0.0000 0.0809 ( 5211 PWs) bands (ev): -12.1940 -12.1940 -12.0521 -12.0521 -11.6847 -11.6847 -11.5230 -11.5230 -3.5164 -3.5164 -3.4999 -3.4999 -3.4155 -3.4155 -3.3884 -3.3884 -3.2037 -3.2037 -3.1444 -3.1444 -3.0760 -3.0760 -3.0370 -3.0370 -2.7520 -2.7520 -2.7415 -2.7415 -1.1684 -1.1684 -0.8106 -0.8106 0.3385 0.3385 0.3981 0.3981 0.5102 0.5102 0.5692 0.5692 0.9341 0.9341 1.5700 1.5700 1.6087 1.6087 1.6296 1.6296 1.8172 1.8172 1.8637 1.8637 5.8585 5.8585 6.7584 6.7584 7.7179 7.7179 8.0463 8.0463 10.5425 10.5426 k = 0.0000 0.0000 0.0925 ( 5220 PWs) bands (ev): -12.1886 -12.1886 -12.0620 -12.0620 -11.6738 -11.6738 -11.5294 -11.5294 -3.5157 -3.5157 -3.5009 -3.5009 -3.4140 -3.4140 -3.3896 -3.3896 -3.2016 -3.2016 -3.1493 -3.1493 -3.0724 -3.0724 -3.0382 -3.0382 -2.7515 -2.7515 -2.7421 -2.7421 -1.1534 -1.1534 -0.8327 -0.8327 0.3452 0.3452 0.4038 0.4038 0.5023 0.5023 0.5603 0.5603 0.9702 0.9702 1.5802 1.5802 1.5807 1.5807 1.6329 1.6329 1.8096 1.8096 1.8557 1.8557 5.9035 5.9035 6.7124 6.7124 7.7339 7.7339 8.0296 8.0296 10.5324 10.5324 k = 0.0000 0.0000 0.1040 ( 5220 PWs) bands (ev): -12.1825 -12.1825 -12.0722 -12.0722 -11.6625 -11.6625 -11.5366 -11.5366 -3.5149 -3.5149 -3.5020 -3.5020 -3.4123 -3.4123 -3.3910 -3.3910 -3.1992 -3.1992 -3.1540 -3.1540 -3.0688 -3.0688 -3.0395 -3.0395 -2.7510 -2.7510 -2.7427 -2.7427 -1.1368 -1.1368 -0.8562 -0.8562 0.3526 0.3526 0.4095 0.4095 0.4943 0.4943 0.5506 0.5506 1.0093 1.0093 1.5451 1.5451 1.5910 1.5910 1.6403 1.6403 1.8024 1.8024 1.8471 1.8471 5.9528 5.9528 6.6622 6.6622 7.7514 7.7514 8.0113 8.0113 10.5228 10.5228 k = 0.0000 0.0000 0.1156 ( 5208 PWs) bands (ev): -12.1758 -12.1758 -12.0827 -12.0827 -11.6509 -11.6509 -11.5445 -11.5445 -3.5141 -3.5141 -3.5030 -3.5030 -3.4105 -3.4105 -3.3924 -3.3924 -3.1966 -3.1966 -3.1587 -3.1587 -3.0654 -3.0654 -3.0409 -3.0409 -2.7504 -2.7504 -2.7434 -2.7434 -1.1184 -1.1184 -0.8807 -0.8807 0.3607 0.3607 0.4149 0.4149 0.4868 0.4868 0.5406 0.5406 1.0509 1.0509 1.5060 1.5060 1.6022 1.6022 1.6475 1.6475 1.7959 1.7959 1.8379 1.8379 6.0057 6.0057 6.6083 6.6083 7.7705 7.7705 7.9916 7.9916 10.5142 10.5142 k = 0.0000 0.0000 0.1271 ( 5208 PWs) bands (ev): -12.1685 -12.1685 -12.0932 -12.0932 -11.6391 -11.6391 -11.5530 -11.5530 -3.5132 -3.5132 -3.5042 -3.5042 -3.4087 -3.4087 -3.3939 -3.3939 -3.1938 -3.1938 -3.1632 -3.1632 -3.0622 -3.0622 -3.0426 -3.0426 -2.7498 -2.7498 -2.7441 -2.7441 -1.0987 -1.0987 -0.9058 -0.9058 0.3693 0.3693 0.4190 0.4190 0.4809 0.4809 0.5302 0.5302 1.0947 1.0947 1.4642 1.4642 1.6135 1.6135 1.6535 1.6535 1.7907 1.7907 1.8284 1.8284 6.0619 6.0619 6.5514 6.5514 7.7908 7.7908 7.9707 7.9707 10.5071 10.5071 k = 0.0000 0.0000 0.1387 ( 5216 PWs) bands (ev): -12.1606 -12.1606 -12.1037 -12.1037 -11.6274 -11.6274 -11.5622 -11.5622 -3.5122 -3.5122 -3.5054 -3.5054 -3.4069 -3.4069 -3.3956 -3.3956 -3.1908 -3.1908 -3.1677 -3.1677 -3.0591 -3.0591 -3.0444 -3.0444 -2.7493 -2.7493 -2.7448 -2.7448 -1.0775 -1.0775 -0.9314 -0.9314 0.3782 0.3782 0.4205 0.4205 0.4778 0.4778 0.5198 0.5198 1.1400 1.1400 1.4203 1.4203 1.6245 1.6245 1.6575 1.6575 1.7875 1.7875 1.8188 1.8188 6.1206 6.1206 6.4921 6.4921 7.8122 7.8122 7.9488 7.9488 10.5016 10.5016 k = 0.0000 0.0000 0.1503 ( 5208 PWs) bands (ev): -12.1521 -12.1521 -12.1140 -12.1140 -11.6157 -11.6157 -11.5720 -11.5720 -3.5111 -3.5111 -3.5066 -3.5066 -3.4049 -3.4049 -3.3974 -3.3974 -3.1874 -3.1874 -3.1720 -3.1720 -3.0562 -3.0562 -3.0465 -3.0465 -2.7485 -2.7485 -2.7455 -2.7455 -1.0551 -1.0551 -0.9570 -0.9570 0.3874 0.3874 0.4184 0.4184 0.4788 0.4788 0.5096 0.5096 1.1865 1.1865 1.3748 1.3748 1.6349 1.6349 1.6586 1.6586 1.7869 1.7869 1.8096 1.8096 6.1812 6.1812 6.4310 6.4310 7.8343 7.8343 7.9263 7.9263 10.4981 10.4981 k = 0.0000 0.0000 0.1618 ( 5204 PWs) bands (ev): -12.1432 -12.1432 -12.1241 -12.1241 -11.6043 -11.6043 -11.5823 -11.5823 -3.5100 -3.5100 -3.5077 -3.5077 -3.4030 -3.4030 -3.3992 -3.3992 -3.1839 -3.1839 -3.1761 -3.1761 -3.0535 -3.0535 -3.0486 -3.0486 -2.7478 -2.7478 -2.7463 -2.7463 -1.0317 -1.0317 -0.9824 -0.9824 0.3966 0.3966 0.4129 0.4129 0.4835 0.4835 0.4998 0.4998 1.2336 1.2336 1.3283 1.3283 1.6441 1.6441 1.6566 1.6566 1.7892 1.7892 1.8012 1.8012 6.2432 6.2432 6.3687 6.3687 7.8571 7.8571 7.9033 7.9033 10.4966 10.4967 k = 0.0000 0.0000 0.1734 ( 5220 PWs) bands (ev): -12.1338 -12.1338 -12.1338 -12.1338 -11.5931 -11.5931 -11.5931 -11.5931 -3.5089 -3.5089 -3.5089 -3.5089 -3.4011 -3.4011 -3.4011 -3.4011 -3.1801 -3.1801 -3.1801 -3.1801 -3.0510 -3.0510 -3.0510 -3.0510 -2.7471 -2.7471 -2.7471 -2.7471 -1.0074 -1.0074 -1.0074 -1.0074 0.4053 0.4053 0.4053 0.4053 0.4909 0.4909 0.4909 0.4909 1.2810 1.2810 1.2810 1.2810 1.6516 1.6516 1.6516 1.6516 1.7942 1.7942 1.7942 1.7942 6.3059 6.3059 6.3059 6.3059 7.8802 7.8802 7.8802 7.8802 10.4974 10.4974 k = 0.0000 0.0000 0.1734 ( 5220 PWs) bands (ev): -12.1338 -12.1338 -12.1338 -12.1338 -11.5931 -11.5931 -11.5931 -11.5931 -3.5089 -3.5089 -3.5089 -3.5089 -3.4011 -3.4011 -3.4011 -3.4011 -3.1801 -3.1801 -3.1801 -3.1801 -3.0510 -3.0510 -3.0510 -3.0510 -2.7471 -2.7471 -2.7471 -2.7471 -1.0074 -1.0074 -1.0074 -1.0074 0.4053 0.4053 0.4053 0.4053 0.4909 0.4909 0.4909 0.4909 1.2810 1.2810 1.2810 1.2810 1.6516 1.6516 1.6516 1.6516 1.7942 1.7942 1.7942 1.7942 6.3059 6.3059 6.3059 6.3059 7.8802 7.8802 7.8802 7.8802 10.4974 10.4974 k = 0.0000 0.0116 0.1734 ( 5216 PWs) bands (ev): -12.1334 -12.1334 -12.1334 -12.1334 -11.5931 -11.5931 -11.5930 -11.5930 -3.5103 -3.5103 -3.5074 -3.5074 -3.4040 -3.4040 -3.3980 -3.3980 -3.1830 -3.1830 -3.1767 -3.1767 -3.0523 -3.0523 -3.0493 -3.0493 -2.7475 -2.7475 -2.7469 -2.7469 -1.0087 -1.0087 -1.0074 -1.0074 0.4035 0.4035 0.4054 0.4054 0.4874 0.4874 0.4911 0.4911 1.2783 1.2783 1.2807 1.2807 1.6497 1.6497 1.6527 1.6527 1.7916 1.7916 1.7966 1.7966 6.3074 6.3074 6.3096 6.3096 7.8826 7.8826 7.8847 7.8847 10.4976 10.4996 k = 0.0000 0.0233 0.1734 ( 5208 PWs) bands (ev): -12.1323 -12.1323 -12.1321 -12.1321 -11.5929 -11.5929 -11.5926 -11.5926 -3.5114 -3.5114 -3.5058 -3.5058 -3.4068 -3.4068 -3.3948 -3.3948 -3.1854 -3.1854 -3.1729 -3.1729 -3.0532 -3.0532 -3.0472 -3.0472 -2.7482 -2.7482 -2.7469 -2.7469 -1.0119 -1.0119 -1.0079 -1.0079 0.3989 0.3989 0.4043 0.4043 0.4774 0.4774 0.4918 0.4918 1.2706 1.2706 1.2790 1.2790 1.6467 1.6467 1.6532 1.6532 1.7890 1.7890 1.7989 1.7989 6.3122 6.3122 6.3202 6.3202 7.8910 7.8910 7.8973 7.8973 10.4976 10.4976 k = 0.0000 0.0349 0.1734 ( 5202 PWs) bands (ev): -12.1303 -12.1303 -12.1299 -12.1299 -11.5926 -11.5926 -11.5920 -11.5920 -3.5125 -3.5125 -3.5040 -3.5040 -3.4094 -3.4094 -3.3914 -3.3914 -3.1873 -3.1873 -3.1685 -3.1685 -3.0538 -3.0538 -3.0446 -3.0446 -2.7492 -2.7492 -2.7472 -2.7472 -1.0174 -1.0174 -1.0087 -1.0087 0.3911 0.3911 0.4004 0.4004 0.4632 0.4632 0.4933 0.4933 1.2580 1.2580 1.2760 1.2760 1.6424 1.6424 1.6535 1.6535 1.7864 1.7864 1.8010 1.8010 6.3202 6.3202 6.3376 6.3376 7.9050 7.9050 7.9183 7.9183 10.4974 10.4974 k = 0.0000 0.0465 0.1734 ( 5206 PWs) bands (ev): -12.1276 -12.1276 -12.1269 -12.1269 -11.5922 -11.5922 -11.5912 -11.5912 -3.5135 -3.5135 -3.5020 -3.5020 -3.4119 -3.4119 -3.3878 -3.3878 -3.1888 -3.1888 -3.1637 -3.1637 -3.0539 -3.0539 -3.0417 -3.0417 -2.7504 -2.7504 -2.7477 -2.7477 -1.0252 -1.0252 -1.0098 -1.0098 0.3798 0.3798 0.3886 0.3886 0.4504 0.4504 0.4959 0.4959 1.2408 1.2408 1.2715 1.2715 1.6369 1.6369 1.6537 1.6537 1.7837 1.7837 1.8028 1.8028 6.3310 6.3310 6.3615 6.3615 7.9247 7.9247 7.9475 7.9475 10.4963 10.4963 k = 0.0000 0.0581 0.1734 ( 5208 PWs) bands (ev): -12.1241 -12.1241 -12.1231 -12.1231 -11.5917 -11.5917 -11.5903 -11.5903 -3.5143 -3.5143 -3.4999 -3.4999 -3.4142 -3.4142 -3.3841 -3.3841 -3.1898 -3.1898 -3.1585 -3.1585 -3.0538 -3.0538 -3.0383 -3.0383 -2.7519 -2.7519 -2.7485 -2.7485 -1.0353 -1.0353 -1.0114 -1.0114 0.3619 0.3619 0.3669 0.3669 0.4447 0.4447 0.4997 0.4997 1.2193 1.2193 1.2653 1.2653 1.6303 1.6303 1.6537 1.6537 1.7809 1.7809 1.8042 1.8042 6.3445 6.3445 6.3913 6.3913 7.9500 7.9500 7.9846 7.9846 10.4936 10.4936 k = 0.0000 0.0698 0.1734 ( 5208 PWs) bands (ev): -12.1199 -12.1199 -12.1184 -12.1184 -11.5911 -11.5911 -11.5891 -11.5891 -3.5150 -3.5150 -3.4976 -3.4976 -3.4165 -3.4165 -3.3803 -3.3803 -3.1903 -3.1903 -3.1529 -3.1529 -3.0532 -3.0532 -3.0344 -3.0344 -2.7535 -2.7535 -2.7495 -2.7495 -1.0480 -1.0480 -1.0134 -1.0134 0.3254 0.3254 0.3489 0.3489 0.4454 0.4454 0.5048 0.5048 1.1938 1.1938 1.2571 1.2571 1.6227 1.6227 1.6535 1.6535 1.7780 1.7780 1.8052 1.8052 6.3604 6.3604 6.4264 6.4264 7.9811 7.9811 8.0296 8.0296 10.4885 10.4885 k = 0.0000 0.0814 0.1734 ( 5216 PWs) bands (ev): -12.1149 -12.1149 -12.1129 -12.1129 -11.5903 -11.5903 -11.5877 -11.5877 -3.5156 -3.5156 -3.4952 -3.4952 -3.4186 -3.4186 -3.3762 -3.3762 -3.1904 -3.1904 -3.1470 -3.1470 -3.0522 -3.0522 -3.0302 -3.0302 -2.7554 -2.7554 -2.7507 -2.7507 -1.0632 -1.0632 -1.0160 -1.0160 0.2797 0.2797 0.3291 0.3291 0.4496 0.4496 0.5113 0.5113 1.1647 1.1647 1.2468 1.2468 1.6144 1.6144 1.6533 1.6533 1.7748 1.7748 1.8056 1.8056 6.3783 6.3783 6.4663 6.4663 8.0179 8.0179 8.0822 8.0822 10.4799 10.4799 k = 0.0000 0.0930 0.1734 ( 5206 PWs) bands (ev): -12.1093 -12.1093 -12.1066 -12.1066 -11.5896 -11.5896 -11.5861 -11.5861 -3.5161 -3.5161 -3.4924 -3.4924 -3.4205 -3.4205 -3.3720 -3.3720 -3.1901 -3.1901 -3.1406 -3.1406 -3.0509 -3.0509 -3.0254 -3.0254 -2.7575 -2.7575 -2.7521 -2.7521 -1.0813 -1.0813 -1.0191 -1.0191 0.2275 0.2275 0.3072 0.3072 0.4559 0.4559 0.5190 0.5190 1.1325 1.1325 1.2343 1.2343 1.6055 1.6055 1.6529 1.6529 1.7713 1.7713 1.8056 1.8056 6.3979 6.3979 6.5100 6.5100 8.0604 8.0604 8.1419 8.1419 10.4670 10.4670 k = 0.0000 0.1047 0.1734 ( 5206 PWs) bands (ev): -12.1029 -12.1029 -12.0996 -12.0996 -11.5887 -11.5887 -11.5844 -11.5844 -3.5164 -3.5164 -3.4896 -3.4896 -3.4224 -3.4224 -3.3676 -3.3676 -3.1893 -3.1893 -3.1341 -3.1341 -3.0490 -3.0490 -3.0202 -3.0202 -2.7597 -2.7597 -2.7537 -2.7537 -1.1022 -1.1022 -1.0230 -1.0230 0.1702 0.1702 0.2837 0.2837 0.4637 0.4637 0.5278 0.5278 1.0976 1.0976 1.2196 1.2196 1.5962 1.5962 1.6524 1.6524 1.7673 1.7673 1.8050 1.8050 6.4188 6.4188 6.5569 6.5569 8.1086 8.1086 8.2083 8.2083 10.4492 10.4492 k = 0.0000 0.1163 0.1734 ( 5202 PWs) bands (ev): -12.0958 -12.0958 -12.0918 -12.0918 -11.5878 -11.5878 -11.5826 -11.5826 -3.5167 -3.5167 -3.4865 -3.4865 -3.4241 -3.4241 -3.3631 -3.3631 -3.1881 -3.1881 -3.1274 -3.1274 -3.0466 -3.0466 -3.0145 -3.0145 -2.7621 -2.7621 -2.7554 -2.7554 -1.1261 -1.1261 -1.0277 -1.0277 0.1086 0.1086 0.2590 0.2590 0.4727 0.4727 0.5378 0.5378 1.0605 1.0605 1.2026 1.2026 1.5865 1.5865 1.6517 1.6517 1.7627 1.7627 1.8039 1.8039 6.4408 6.4408 6.6062 6.6062 8.1625 8.1625 8.2810 8.2810 10.4259 10.4259 k = 0.0000 0.1279 0.1734 ( 5206 PWs) bands (ev): -12.0881 -12.0881 -12.0832 -12.0832 -11.5869 -11.5869 -11.5807 -11.5807 -3.5168 -3.5168 -3.4832 -3.4832 -3.4257 -3.4257 -3.3585 -3.3585 -3.1865 -3.1865 -3.1207 -3.1207 -3.0436 -3.0436 -3.0085 -3.0085 -2.7646 -2.7646 -2.7573 -2.7573 -1.1532 -1.1532 -1.0333 -1.0333 0.0438 0.0438 0.2336 0.2336 0.4828 0.4828 0.5489 0.5489 1.0216 1.0216 1.1837 1.1837 1.5765 1.5765 1.6509 1.6509 1.7573 1.7573 1.8024 1.8024 6.4634 6.4634 6.6571 6.6571 8.2219 8.2219 8.3594 8.3594 10.3970 10.3970 k = 0.0000 0.1395 0.1734 ( 5210 PWs) bands (ev): -12.0797 -12.0797 -12.0739 -12.0739 -11.5859 -11.5859 -11.5786 -11.5786 -3.5168 -3.5168 -3.4796 -3.4796 -3.4273 -3.4273 -3.3537 -3.3537 -3.1846 -3.1846 -3.1140 -3.1140 -3.0399 -3.0399 -3.0020 -3.0020 -2.7673 -2.7673 -2.7593 -2.7593 -1.1834 -1.1834 -1.0402 -1.0402 -0.0236 -0.0236 0.2079 0.2079 0.4939 0.4939 0.5609 0.5609 0.9815 0.9815 1.1630 1.1630 1.5663 1.5663 1.6499 1.6499 1.7510 1.7510 1.8007 1.8007 6.4866 6.4866 6.7090 6.7090 8.2866 8.2866 8.4430 8.4430 10.3627 10.3627 k = 0.0000 0.1512 0.1734 ( 5210 PWs) bands (ev): -12.0707 -12.0707 -12.0640 -12.0640 -11.5850 -11.5850 -11.5765 -11.5765 -3.5167 -3.5167 -3.4759 -3.4759 -3.4286 -3.4286 -3.3488 -3.3488 -3.1823 -3.1823 -3.1076 -3.1076 -3.0353 -3.0353 -2.9952 -2.9952 -2.7699 -2.7699 -2.7613 -2.7613 -1.2168 -1.2168 -1.0485 -1.0485 -0.0926 -0.0926 0.1819 0.1819 0.5058 0.5058 0.5738 0.5738 0.9407 0.9407 1.1409 1.1409 1.5557 1.5557 1.6488 1.6488 1.7436 1.7436 1.7987 1.7987 6.5099 6.5099 6.7612 6.7612 8.3565 8.3565 8.5310 8.5310 10.3235 10.3235 k = 0.0000 0.1628 0.1734 ( 5218 PWs) bands (ev): -12.0611 -12.0611 -12.0534 -12.0534 -11.5841 -11.5841 -11.5744 -11.5744 -3.5165 -3.5165 -3.4719 -3.4719 -3.4299 -3.4299 -3.3437 -3.3437 -3.1796 -3.1796 -3.1016 -3.1016 -3.0298 -3.0298 -2.9880 -2.9880 -2.7727 -2.7727 -2.7634 -2.7634 -1.2533 -1.2533 -1.0586 -1.0586 -0.1626 -0.1626 0.1561 0.1561 0.5185 0.5185 0.5875 0.5875 0.8996 0.8996 1.1175 1.1175 1.5448 1.5448 1.6475 1.6475 1.7349 1.7349 1.7966 1.7966 6.5333 6.5333 6.8130 6.8130 8.4311 8.4311 8.6228 8.6228 10.2802 10.2802 k = 0.0000 0.1744 0.1734 ( 5218 PWs) bands (ev): -12.0510 -12.0510 -12.0422 -12.0422 -11.5832 -11.5832 -11.5722 -11.5722 -3.5161 -3.5161 -3.4676 -3.4676 -3.4310 -3.4310 -3.3385 -3.3385 -3.1767 -3.1767 -3.0960 -3.0960 -3.0233 -3.0233 -2.9805 -2.9805 -2.7753 -2.7753 -2.7655 -2.7655 -1.2929 -1.2929 -1.0709 -1.0709 -0.2325 -0.2325 0.1304 0.1304 0.5319 0.5319 0.6020 0.6020 0.8589 0.8589 1.0934 1.0934 1.5334 1.5334 1.6459 1.6459 1.7251 1.7251 1.7944 1.7944 6.5565 6.5565 6.8641 6.8641 8.5101 8.5101 8.7178 8.7178 10.2336 10.2336 k = 0.0000 0.1860 0.1734 ( 5218 PWs) bands (ev): -12.0404 -12.0404 -12.0305 -12.0305 -11.5824 -11.5824 -11.5701 -11.5701 -3.5156 -3.5156 -3.4632 -3.4632 -3.4320 -3.4320 -3.3332 -3.3332 -3.1735 -3.1735 -3.0909 -3.0909 -3.0158 -3.0158 -2.9728 -2.9728 -2.7780 -2.7780 -2.7676 -2.7676 -1.3354 -1.3354 -1.0857 -1.0857 -0.3015 -0.3015 0.1048 0.1048 0.5460 0.5460 0.6171 0.6171 0.8190 0.8190 1.0689 1.0689 1.5215 1.5215 1.6441 1.6441 1.7139 1.7139 1.7921 1.7921 6.5794 6.5794 6.9139 6.9139 8.5930 8.5930 8.8151 8.8151 10.1847 10.1847 k = 0.0000 0.1977 0.1734 ( 5218 PWs) bands (ev): -12.0292 -12.0292 -12.0182 -12.0182 -11.5817 -11.5817 -11.5680 -11.5680 -3.5149 -3.5149 -3.4585 -3.4585 -3.4327 -3.4327 -3.3277 -3.3277 -3.1701 -3.1701 -3.0863 -3.0863 -3.0073 -3.0073 -2.9648 -2.9648 -2.7805 -2.7805 -2.7696 -2.7696 -1.3806 -1.3806 -1.1037 -1.1037 -0.3687 -0.3687 0.0792 0.0792 0.5607 0.5607 0.6328 0.6328 0.7806 0.7806 1.0443 1.0443 1.5090 1.5090 1.6419 1.6419 1.7017 1.7017 1.7897 1.7897 6.6021 6.6021 6.9621 6.9621 8.6793 8.6793 8.9141 8.9141 10.1345 10.1345 k = 0.0000 0.2093 0.1734 ( 5208 PWs) bands (ev): -12.0177 -12.0177 -12.0054 -12.0054 -11.5811 -11.5811 -11.5660 -11.5660 -3.5141 -3.5141 -3.4538 -3.4538 -3.4331 -3.4331 -3.3221 -3.3221 -3.1664 -3.1664 -3.0822 -3.0822 -2.9979 -2.9979 -2.9567 -2.9567 -2.7829 -2.7829 -2.7716 -2.7716 -1.4282 -1.4282 -1.1255 -1.1255 -0.4331 -0.4331 0.0533 0.0533 0.5759 0.5759 0.6490 0.6490 0.7444 0.7444 1.0200 1.0200 1.4958 1.4958 1.6392 1.6392 1.6885 1.6885 1.7872 1.7872 6.6243 6.6243 7.0085 7.0085 8.7682 8.7682 9.0140 9.0140 10.0840 10.0840 k = 0.0000 0.2209 0.1734 ( 5210 PWs) bands (ev): -12.0057 -12.0057 -11.9921 -11.9921 -11.5807 -11.5807 -11.5641 -11.5641 -3.5131 -3.5131 -3.4492 -3.4492 -3.4329 -3.4329 -3.3164 -3.3164 -3.1625 -3.1625 -3.0785 -3.0785 -2.9878 -2.9878 -2.9485 -2.9485 -2.7850 -2.7850 -2.7734 -2.7734 -1.4780 -1.4780 -1.1518 -1.1518 -0.4935 -0.4935 0.0268 0.0268 0.5914 0.5914 0.6655 0.6655 0.7108 0.7108 0.9963 0.9963 1.4819 1.4819 1.6353 1.6353 1.6749 1.6749 1.7846 1.7846 6.6461 6.6461 7.0526 7.0526 8.8591 8.8591 9.1141 9.1141 10.0344 10.0344 k = 0.0000 0.2326 0.1734 ( 5218 PWs) bands (ev): -11.9933 -11.9933 -11.9785 -11.9785 -11.5804 -11.5804 -11.5624 -11.5624 -3.5121 -3.5121 -3.4455 -3.4455 -3.4315 -3.4315 -3.3105 -3.3105 -3.1585 -3.1585 -3.0751 -3.0751 -2.9771 -2.9771 -2.9404 -2.9404 -2.7869 -2.7869 -2.7750 -2.7750 -1.5296 -1.5296 -1.1831 -1.1831 -0.5491 -0.5491 -0.0005 -0.0005 0.6072 0.6072 0.6791 0.6791 0.6840 0.6840 0.9735 0.9735 1.4672 1.4672 1.6290 1.6290 1.6623 1.6623 1.7819 1.7819 6.6674 6.6674 7.0944 7.0944 8.9511 8.9511 9.2139 9.2139 9.9866 9.9866 k = 0.0000 0.2442 0.1734 ( 5218 PWs) bands (ev): -11.9806 -11.9806 -11.9645 -11.9645 -11.5803 -11.5803 -11.5609 -11.5609 -3.5108 -3.5108 -3.4433 -3.4433 -3.4282 -3.4282 -3.3045 -3.3045 -3.1544 -3.1544 -3.0719 -3.0719 -2.9659 -2.9659 -2.9323 -2.9323 -2.7883 -2.7883 -2.7763 -2.7763 -1.5828 -1.5828 -1.2198 -1.2198 -0.5992 -0.5992 -0.0290 -0.0290 0.6224 0.6224 0.6549 0.6549 0.6999 0.6999 0.9519 0.9519 1.4517 1.4517 1.6184 1.6184 1.6526 1.6526 1.7790 1.7790 6.6884 6.6884 7.1335 7.1335 9.0433 9.0433 9.3126 9.3126 9.9419 9.9419 k = 0.0000 0.2558 0.1734 ( 5222 PWs) bands (ev): -11.9676 -11.9676 -11.9502 -11.9502 -11.5804 -11.5804 -11.5595 -11.5595 -3.5094 -3.5094 -3.4425 -3.4425 -3.4230 -3.4230 -3.2984 -3.2984 -3.1502 -3.1502 -3.0688 -3.0688 -2.9545 -2.9545 -2.9244 -2.9244 -2.7894 -2.7894 -2.7773 -2.7773 -1.6370 -1.6370 -1.2622 -1.2622 -0.6432 -0.6432 -0.0589 -0.0589 0.6253 0.6253 0.6460 0.6460 0.7171 0.7171 0.9318 0.9318 1.4353 1.4353 1.6030 1.6030 1.6464 1.6464 1.7758 1.7758 6.7089 6.7089 7.1698 7.1698 9.1345 9.1345 9.4098 9.4098 9.9016 9.9016 k = 0.0000 0.2674 0.1734 ( 5206 PWs) bands (ev): -11.9543 -11.9543 -11.9356 -11.9356 -11.5808 -11.5808 -11.5584 -11.5584 -3.5078 -3.5078 -3.4424 -3.4424 -3.4166 -3.4166 -3.2921 -3.2921 -3.1459 -3.1459 -3.0657 -3.0657 -2.9429 -2.9429 -2.9168 -2.9168 -2.7899 -2.7899 -2.7778 -2.7778 -1.6920 -1.6920 -1.3098 -1.3098 -0.6811 -0.6811 -0.0903 -0.0903 0.6096 0.6096 0.6600 0.6600 0.7345 0.7345 0.9133 0.9133 1.4181 1.4181 1.5842 1.5842 1.6424 1.6424 1.7725 1.7725 6.7292 6.7292 7.2031 7.2031 9.2231 9.2231 9.5049 9.5049 9.8675 9.8675 k = 0.0000 0.2791 0.1734 ( 5202 PWs) bands (ev): -11.9409 -11.9409 -11.9208 -11.9208 -11.5814 -11.5814 -11.5576 -11.5576 -3.5062 -3.5062 -3.4427 -3.4427 -3.4094 -3.4094 -3.2858 -3.2858 -3.1416 -3.1416 -3.0626 -3.0626 -2.9314 -2.9314 -2.9094 -2.9094 -2.7900 -2.7900 -2.7777 -2.7777 -1.7475 -1.7475 -1.3623 -1.3623 -0.7132 -0.7132 -0.1234 -0.1234 0.5960 0.5960 0.6766 0.6766 0.7517 0.7517 0.8968 0.8968 1.4000 1.4000 1.5632 1.5632 1.6394 1.6394 1.7689 1.7689 6.7492 6.7492 7.2332 7.2332 9.3067 9.3067 9.5976 9.5976 9.8421 9.8421 k = 0.0000 0.2907 0.1734 ( 5202 PWs) bands (ev): -11.9273 -11.9273 -11.9059 -11.9059 -11.5823 -11.5823 -11.5571 -11.5571 -3.5043 -3.5043 -3.4431 -3.4431 -3.4017 -3.4017 -3.2794 -3.2794 -3.1374 -3.1374 -3.0594 -3.0594 -2.9203 -2.9203 -2.9022 -2.9022 -2.7897 -2.7897 -2.7768 -2.7768 -1.8030 -1.8030 -1.4187 -1.4187 -0.7401 -0.7401 -0.1580 -0.1580 0.5864 0.5864 0.6935 0.6935 0.7688 0.7688 0.8823 0.8823 1.3809 1.3809 1.5406 1.5406 1.6370 1.6370 1.7650 1.7650 6.7690 6.7690 7.2599 7.2599 9.3817 9.3817 9.6872 9.6872 9.8292 9.8292 k = 0.0000 0.3023 0.1734 ( 5204 PWs) bands (ev): -11.9136 -11.9136 -11.8909 -11.8909 -11.5835 -11.5835 -11.5570 -11.5570 -3.5024 -3.5024 -3.4436 -3.4436 -3.3935 -3.3935 -3.2729 -3.2729 -3.1332 -3.1332 -3.0562 -3.0562 -2.9104 -2.9104 -2.8947 -2.8947 -2.7891 -2.7891 -2.7748 -2.7748 -1.8582 -1.8582 -1.4781 -1.4781 -0.7623 -0.7623 -0.1939 -0.1939 0.5810 0.5810 0.7104 0.7104 0.7855 0.7855 0.8702 0.8702 1.3611 1.3611 1.5166 1.5166 1.6350 1.6350 1.7608 1.7608 6.7887 6.7887 7.2830 7.2830 9.4435 9.4435 9.7724 9.7724 9.8350 9.8350 k = 0.0000 0.3140 0.1734 ( 5202 PWs) bands (ev): -11.8998 -11.8998 -11.8759 -11.8759 -11.5850 -11.5850 -11.5572 -11.5572 -3.5003 -3.5003 -3.4442 -3.4442 -3.3848 -3.3848 -3.2664 -3.2664 -3.1291 -3.1291 -3.0527 -3.0527 -2.9022 -2.9022 -2.8862 -2.8862 -2.7883 -2.7883 -2.7717 -2.7717 -1.9128 -1.9128 -1.5395 -1.5395 -0.7806 -0.7806 -0.2309 -0.2309 0.5795 0.5795 0.7272 0.7272 0.8017 0.8017 0.8604 0.8604 1.3403 1.3403 1.4916 1.4916 1.6333 1.6333 1.7564 1.7564 6.8084 6.8084 7.3024 7.3024 9.4877 9.4877 9.8430 9.8430 9.8735 9.8735 k = 0.0000 0.3256 0.1734 ( 5198 PWs) bands (ev): -11.8860 -11.8860 -11.8609 -11.8609 -11.5868 -11.5868 -11.5579 -11.5579 -3.4982 -3.4982 -3.4449 -3.4449 -3.3758 -3.3758 -3.2600 -3.2600 -3.1250 -3.1250 -3.0492 -3.0492 -2.8960 -2.8960 -2.8766 -2.8766 -2.7873 -2.7873 -2.7674 -2.7674 -1.9664 -1.9664 -1.6021 -1.6021 -0.7956 -0.7956 -0.2687 -0.2687 0.5818 0.5818 0.7438 0.7438 0.8172 0.8172 0.8534 0.8534 1.3188 1.3188 1.4656 1.4656 1.6318 1.6318 1.7517 1.7517 6.8283 6.8283 7.3180 7.3180 9.5145 9.5145 9.8968 9.8968 9.9467 9.9467 k = 0.0000 0.3372 0.1734 ( 5190 PWs) bands (ev): -11.8722 -11.8722 -11.8460 -11.8460 -11.5889 -11.5889 -11.5590 -11.5590 -3.4959 -3.4959 -3.4456 -3.4456 -3.3663 -3.3663 -3.2537 -3.2537 -3.1209 -3.1209 -3.0455 -3.0455 -2.8914 -2.8914 -2.8662 -2.8662 -2.7860 -2.7860 -2.7621 -2.7621 -2.0186 -2.0186 -1.6652 -1.6652 -0.8076 -0.8076 -0.3070 -0.3070 0.5874 0.5874 0.7599 0.7599 0.8311 0.8311 0.8499 0.8499 1.2965 1.2965 1.4387 1.4387 1.6306 1.6306 1.7466 1.7466 6.8483 6.8483 7.3297 7.3297 9.5295 9.5295 9.9595 9.9595 10.0230 10.0230 k = 0.0000 0.3488 0.1734 ( 5194 PWs) bands (ev): -11.8585 -11.8585 -11.8312 -11.8312 -11.5914 -11.5914 -11.5605 -11.5605 -3.4935 -3.4935 -3.4463 -3.4463 -3.3566 -3.3566 -3.2476 -3.2476 -3.1169 -3.1169 -3.0419 -3.0419 -2.8878 -2.8878 -2.8558 -2.8558 -2.7846 -2.7846 -2.7559 -2.7559 -2.0692 -2.0692 -1.7280 -1.7280 -0.8170 -0.8170 -0.3454 -0.3454 0.5961 0.5961 0.7753 0.7753 0.8402 0.8402 0.8531 0.8531 1.2736 1.2736 1.4113 1.4113 1.6297 1.6297 1.7413 1.7413 6.8685 6.8685 7.3374 7.3374 9.5392 9.5392 10.0300 10.0300 10.0965 10.0965 k = 0.0000 0.3605 0.1734 ( 5192 PWs) bands (ev): -11.8449 -11.8449 -11.8168 -11.8168 -11.5942 -11.5942 -11.5625 -11.5625 -3.4911 -3.4911 -3.4471 -3.4471 -3.3465 -3.3465 -3.2419 -3.2419 -3.1128 -3.1128 -3.0382 -3.0382 -2.8846 -2.8846 -2.8454 -2.8454 -2.7828 -2.7828 -2.7489 -2.7489 -2.1177 -2.1177 -1.7902 -1.7902 -0.8241 -0.8241 -0.3837 -0.3837 0.6076 0.6076 0.7899 0.7899 0.8437 0.8437 0.8638 0.8638 1.2500 1.2500 1.3832 1.3832 1.6292 1.6292 1.7357 1.7357 6.8891 6.8891 7.3413 7.3413 9.5480 9.5480 10.1043 10.1043 10.1658 10.1658 k = 0.0000 0.3721 0.1734 ( 5194 PWs) bands (ev): -11.8316 -11.8316 -11.8026 -11.8026 -11.5973 -11.5973 -11.5650 -11.5650 -3.4887 -3.4887 -3.4480 -3.4480 -3.3363 -3.3363 -3.2366 -3.2366 -3.1085 -3.1085 -3.0347 -3.0347 -2.8817 -2.8817 -2.8353 -2.8353 -2.7807 -2.7807 -2.7415 -2.7415 -2.1639 -2.1639 -1.8512 -1.8512 -0.8290 -0.8290 -0.4215 -0.4215 0.6215 0.6215 0.8033 0.8033 0.8479 0.8479 0.8757 0.8757 1.2260 1.2260 1.3548 1.3548 1.6290 1.6290 1.7298 1.7298 6.9100 6.9100 7.3414 7.3414 9.5587 9.5587 10.1795 10.1795 10.2294 10.2294 k = 0.0000 0.3837 0.1734 ( 5182 PWs) bands (ev): -11.8184 -11.8184 -11.7889 -11.7889 -11.6007 -11.6007 -11.5680 -11.5680 -3.4862 -3.4862 -3.4489 -3.4489 -3.3260 -3.3260 -3.2319 -3.2319 -3.1039 -3.1039 -3.0315 -3.0315 -2.8788 -2.8788 -2.8258 -2.8258 -2.7781 -2.7781 -2.7338 -2.7338 -2.2071 -2.2071 -1.9106 -1.9106 -0.8318 -0.8318 -0.4585 -0.4585 0.6376 0.6376 0.8155 0.8155 0.8545 0.8545 0.8868 0.8868 1.2017 1.2017 1.3261 1.3261 1.6293 1.6293 1.7237 1.7237 6.9314 6.9314 7.3379 7.3379 9.5728 9.5728 10.2538 10.2538 10.2838 10.2838 k = 0.0000 0.3953 0.1734 ( 5190 PWs) bands (ev): -11.8056 -11.8056 -11.7757 -11.7757 -11.6043 -11.6043 -11.5715 -11.5715 -3.4837 -3.4837 -3.4500 -3.4500 -3.3156 -3.3156 -3.2280 -3.2280 -3.0989 -3.0989 -3.0288 -3.0288 -2.8756 -2.8756 -2.8172 -2.8172 -2.7749 -2.7749 -2.7262 -2.7262 -2.2469 -2.2469 -1.9681 -1.9681 -0.8326 -0.8326 -0.4945 -0.4945 0.6555 0.6555 0.8266 0.8266 0.8633 0.8633 0.8969 0.8969 1.1773 1.1773 1.2973 1.2973 1.6300 1.6300 1.7174 1.7174 6.9532 6.9532 7.3310 7.3310 9.5909 9.5909 10.3200 10.3200 10.3263 10.3263 k = 0.0000 0.4070 0.1734 ( 5186 PWs) bands (ev): -11.7931 -11.7931 -11.7633 -11.7633 -11.6081 -11.6081 -11.5754 -11.5754 -3.4812 -3.4812 -3.4510 -3.4510 -3.3053 -3.3053 -3.2250 -3.2250 -3.0936 -3.0936 -3.0267 -3.0267 -2.8721 -2.8721 -2.8100 -2.8100 -2.7706 -2.7706 -2.7187 -2.7187 -2.2828 -2.2828 -2.0234 -2.0234 -0.8314 -0.8314 -0.5294 -0.5294 0.6751 0.6751 0.8371 0.8371 0.8734 0.8734 0.9056 0.9056 1.1531 1.1531 1.2686 1.2686 1.6311 1.6311 1.7110 1.7110 6.9755 6.9755 7.3210 7.3210 9.6134 9.6134 10.3257 10.3257 10.3950 10.3950 k = 0.0000 0.4186 0.1734 ( 5188 PWs) bands (ev): -11.7811 -11.7811 -11.7516 -11.7516 -11.6118 -11.6118 -11.5798 -11.5798 -3.4788 -3.4788 -3.4522 -3.4522 -3.2952 -3.2952 -3.2229 -3.2229 -3.0878 -3.0878 -3.0253 -3.0253 -2.8680 -2.8680 -2.8049 -2.8049 -2.7650 -2.7650 -2.7119 -2.7119 -2.3141 -2.3141 -2.0761 -2.0761 -0.8282 -0.8282 -0.5629 -0.5629 0.6960 0.6960 0.8473 0.8473 0.8841 0.8841 0.9129 0.9129 1.1295 1.1295 1.2402 1.2402 1.6329 1.6329 1.7044 1.7044 6.9983 6.9983 7.3081 7.3081 9.6403 9.6403 10.2994 10.2994 10.4599 10.4599 k = 0.0000 0.4302 0.1734 ( 5192 PWs) bands (ev): -11.7696 -11.7696 -11.7411 -11.7411 -11.6154 -11.6154 -11.5847 -11.5847 -3.4764 -3.4764 -3.4535 -3.4535 -3.2854 -3.2854 -3.2218 -3.2218 -3.0815 -3.0815 -3.0248 -3.0248 -2.8633 -2.8633 -2.8021 -2.8021 -2.7579 -2.7579 -2.7060 -2.7060 -2.3399 -2.3399 -2.1260 -2.1260 -0.8230 -0.8230 -0.5948 -0.5948 0.7180 0.7180 0.8573 0.8573 0.8946 0.8946 0.9187 0.9187 1.1071 1.1071 1.2122 1.2122 1.6351 1.6351 1.6978 1.6978 7.0215 7.0215 7.2927 7.2927 9.6715 9.6715 10.2559 10.2559 10.5200 10.5200 k = 0.0000 0.4419 0.1734 ( 5184 PWs) bands (ev): -11.7588 -11.7588 -11.7320 -11.7320 -11.6185 -11.6185 -11.5899 -11.5899 -3.4740 -3.4740 -3.4549 -3.4549 -3.2759 -3.2759 -3.2218 -3.2218 -3.0749 -3.0749 -3.0252 -3.0252 -2.8579 -2.8579 -2.8016 -2.8016 -2.7496 -2.7496 -2.7014 -2.7014 -2.3594 -2.3594 -2.1728 -2.1728 -0.8156 -0.8156 -0.6250 -0.6250 0.7408 0.7408 0.8666 0.8666 0.9042 0.9042 0.9231 0.9231 1.0871 1.0871 1.1850 1.1850 1.6379 1.6379 1.6911 1.6911 7.0452 7.0452 7.2751 7.2751 9.7069 9.7069 10.2050 10.2050 10.5743 10.5743 k = 0.0000 0.4535 0.1734 ( 5194 PWs) bands (ev): -11.7486 -11.7486 -11.7247 -11.7247 -11.6208 -11.6208 -11.5954 -11.5954 -3.4717 -3.4717 -3.4564 -3.4564 -3.2669 -3.2669 -3.2230 -3.2230 -3.0680 -3.0680 -3.0266 -3.0266 -2.8519 -2.8519 -2.8032 -2.8032 -2.7408 -2.7408 -2.6987 -2.6987 -2.3719 -2.3719 -2.2160 -2.2160 -0.8062 -0.8062 -0.6533 -0.6533 0.7641 0.7641 0.8742 0.8742 0.9119 0.9119 0.9261 0.9261 1.0708 1.0708 1.1588 1.1588 1.6413 1.6413 1.6845 1.6845 7.0691 7.0691 7.2557 7.2557 9.7461 9.7461 10.1511 10.1511 10.6218 10.6218 k = 0.0000 0.4651 0.1734 ( 5202 PWs) bands (ev): -11.7394 -11.7394 -11.7195 -11.7195 -11.6220 -11.6220 -11.6010 -11.6010 -3.4695 -3.4695 -3.4579 -3.4579 -3.2586 -3.2586 -3.2252 -3.2252 -3.0612 -3.0612 -3.0291 -3.0291 -2.8453 -2.8453 -2.8065 -2.8065 -2.7319 -2.7319 -2.6981 -2.6981 -2.3767 -2.3767 -2.2554 -2.2554 -0.7946 -0.7946 -0.6798 -0.6798 0.7875 0.7875 0.8783 0.8783 0.9172 0.9172 0.9283 0.9283 1.0603 1.0603 1.1339 1.1339 1.6452 1.6452 1.6780 1.6780 7.0933 7.0933 7.2348 7.2348 9.7887 9.7887 10.0961 10.0961 10.6614 10.6614 k = 0.0000 0.4767 0.1734 ( 5196 PWs) bands (ev): -11.7313 -11.7313 -11.7170 -11.7170 -11.6217 -11.6217 -11.6066 -11.6066 -3.4673 -3.4673 -3.4596 -3.4596 -3.2509 -3.2509 -3.2284 -3.2284 -3.0544 -3.0544 -3.0325 -3.0325 -2.8382 -2.8382 -2.8112 -2.8112 -2.7234 -2.7234 -2.6997 -2.6997 -2.3735 -2.3735 -2.2903 -2.2903 -0.7809 -0.7809 -0.7042 -0.7042 0.8104 0.8104 0.8762 0.8762 0.9208 0.9208 0.9295 0.9295 1.0574 1.0574 1.1110 1.1110 1.6496 1.6496 1.6717 1.6717 7.1177 7.1177 7.2127 7.2127 9.8346 9.8346 10.0411 10.0411 10.6922 10.6922 k = 0.0000 0.4884 0.1734 ( 5190 PWs) bands (ev): -11.7247 -11.7247 -11.7171 -11.7171 -11.6197 -11.6197 -11.6118 -11.6118 -3.4652 -3.4652 -3.4613 -3.4613 -3.2439 -3.2439 -3.2326 -3.2326 -3.0479 -3.0479 -3.0368 -3.0368 -2.8309 -2.8309 -2.8170 -2.8170 -2.7156 -2.7156 -2.7034 -2.7034 -2.3627 -2.3627 -2.3203 -2.3203 -0.7649 -0.7649 -0.7266 -0.7266 0.8321 0.8321 0.8669 0.8669 0.9241 0.9241 0.9291 0.9291 1.0623 1.0623 1.0907 1.0907 1.6546 1.6546 1.6657 1.6657 7.1420 7.1420 7.1897 7.1897 9.8831 9.8831 9.9869 9.9869 10.7131 10.7131 k = 0.0000 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4632 -3.4632 -3.4632 -3.4632 -3.2378 -3.2378 -3.2378 -3.2378 -3.0420 -3.0420 -3.0420 -3.0420 -2.8237 -2.8237 -2.8237 -2.8237 -2.7087 -2.7087 -2.7087 -2.7087 -2.3447 -2.3447 -2.3447 -2.3447 -0.7469 -0.7469 -0.7469 -0.7469 0.8515 0.8515 0.8515 0.8515 0.9271 0.9271 0.9271 0.9271 1.0740 1.0740 1.0740 1.0740 1.6599 1.6599 1.6599 1.6599 7.1660 7.1660 7.1660 7.1660 9.9341 9.9341 9.9341 9.9341 10.7237 10.7237 k = 0.0000 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4632 -3.4632 -3.4632 -3.4632 -3.2378 -3.2378 -3.2378 -3.2378 -3.0420 -3.0420 -3.0420 -3.0420 -2.8237 -2.8237 -2.8237 -2.8237 -2.7087 -2.7087 -2.7087 -2.7087 -2.3447 -2.3447 -2.3447 -2.3447 -0.7469 -0.7469 -0.7469 -0.7469 0.8515 0.8515 0.8515 0.8515 0.9271 0.9271 0.9271 0.9271 1.0740 1.0740 1.0740 1.0740 1.6599 1.6599 1.6599 1.6599 7.1660 7.1660 7.1660 7.1660 9.9341 9.9341 9.9341 9.9341 10.7237 10.7237 k = 0.0116 0.5000 0.1734 ( 5188 PWs) bands (ev): -11.7195 -11.7195 -11.7194 -11.7194 -11.6161 -11.6161 -11.6161 -11.6161 -3.4640 -3.4640 -3.4623 -3.4623 -3.2387 -3.2387 -3.2369 -3.2369 -3.0426 -3.0426 -3.0414 -3.0414 -2.8277 -2.8277 -2.8201 -2.8201 -2.7088 -2.7088 -2.7086 -2.7086 -2.3449 -2.3449 -2.3434 -2.3434 -0.7461 -0.7461 -0.7458 -0.7458 0.8503 0.8503 0.8513 0.8513 0.9186 0.9186 0.9260 0.9260 1.0725 1.0725 1.0778 1.0778 1.6580 1.6580 1.6587 1.6587 7.1692 7.1692 7.1703 7.1703 9.9330 9.9330 9.9341 9.9341 10.7174 10.7174 k = 0.0233 0.5000 0.1734 ( 5192 PWs) bands (ev): -11.7187 -11.7187 -11.7185 -11.7185 -11.6156 -11.6156 -11.6156 -11.6156 -3.4646 -3.4646 -3.4611 -3.4611 -3.2394 -3.2394 -3.2359 -3.2359 -3.0431 -3.0431 -3.0409 -3.0409 -2.8320 -2.8320 -2.8168 -2.8168 -2.7087 -2.7087 -2.7083 -2.7083 -2.3441 -2.3441 -2.3409 -2.3409 -0.7437 -0.7437 -0.7431 -0.7431 0.8474 0.8474 0.8498 0.8498 0.9015 0.9015 0.9156 0.9156 1.0736 1.0736 1.0831 1.0831 1.6529 1.6529 1.6544 1.6544 7.1798 7.1798 7.1821 7.1821 9.9308 9.9308 9.9328 9.9328 10.7062 10.7062 k = 0.0349 0.5000 0.1734 ( 5188 PWs) bands (ev): -11.7172 -11.7172 -11.7169 -11.7169 -11.6147 -11.6147 -11.6147 -11.6147 -3.4650 -3.4650 -3.4598 -3.4598 -3.2401 -3.2401 -3.2348 -3.2348 -3.0436 -3.0436 -3.0403 -3.0403 -2.8365 -2.8365 -2.8138 -2.8138 -2.7085 -2.7085 -2.7079 -2.7079 -2.3422 -2.3422 -2.3374 -2.3374 -0.7396 -0.7396 -0.7387 -0.7387 0.8414 0.8414 0.8460 0.8460 0.8784 0.8784 0.8984 0.8984 1.0761 1.0761 1.0883 1.0883 1.6447 1.6447 1.6469 1.6469 7.1976 7.1976 7.2010 7.2010 9.9271 9.9271 9.9301 9.9301 10.6905 10.6905 k = 0.0465 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.7151 -11.7151 -11.7147 -11.7147 -11.6135 -11.6135 -11.6135 -11.6135 -3.4651 -3.4651 -3.4582 -3.4582 -3.2406 -3.2406 -3.2336 -3.2336 -3.0440 -3.0440 -3.0396 -3.0396 -2.8414 -2.8414 -2.8111 -2.8111 -2.7081 -2.7081 -2.7074 -2.7074 -2.3393 -2.3393 -2.3328 -2.3328 -0.7337 -0.7337 -0.7326 -0.7326 0.8286 0.8286 0.8330 0.8330 0.8572 0.8572 0.8797 0.8797 1.0787 1.0787 1.0926 1.0926 1.6335 1.6335 1.6365 1.6365 7.2222 7.2222 7.2268 7.2268 9.9214 9.9214 9.9253 9.9253 10.6707 10.6707 k = 0.0581 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.7125 -11.7125 -11.7119 -11.7119 -11.6119 -11.6119 -11.6119 -11.6119 -3.4652 -3.4652 -3.4565 -3.4565 -3.2412 -3.2412 -3.2323 -3.2323 -3.0444 -3.0444 -3.0390 -3.0390 -2.8465 -2.8465 -2.8088 -2.8088 -2.7075 -2.7075 -2.7068 -2.7068 -2.3353 -2.3353 -2.3271 -2.3271 -0.7262 -0.7262 -0.7248 -0.7248 0.8015 0.8015 0.8041 0.8041 0.8483 0.8483 0.8655 0.8655 1.0806 1.0806 1.0954 1.0954 1.6194 1.6194 1.6232 1.6232 7.2532 7.2532 7.2590 7.2590 9.9133 9.9133 9.9178 9.9178 10.6473 10.6473 k = 0.0698 0.5000 0.1734 ( 5172 PWs) bands (ev): -11.7092 -11.7092 -11.7086 -11.7086 -11.6100 -11.6100 -11.6100 -11.6100 -3.4649 -3.4649 -3.4545 -3.4545 -3.2416 -3.2416 -3.2308 -3.2308 -3.0448 -3.0448 -3.0384 -3.0384 -2.8519 -2.8519 -2.8068 -2.8068 -2.7068 -2.7068 -2.7061 -2.7061 -2.3304 -2.3304 -2.3204 -2.3204 -0.7170 -0.7170 -0.7153 -0.7153 0.7607 0.7607 0.7683 0.7683 0.8428 0.8428 0.8564 0.8564 1.0810 1.0810 1.0965 1.0965 1.6025 1.6025 1.6072 1.6072 7.2900 7.2900 7.2970 7.2970 9.9018 9.9018 9.9069 9.9069 10.6206 10.6206 k = 0.0814 0.5000 0.1734 ( 5184 PWs) bands (ev): -11.7054 -11.7054 -11.7047 -11.7047 -11.6077 -11.6077 -11.6077 -11.6077 -3.4646 -3.4646 -3.4524 -3.4524 -3.2421 -3.2421 -3.2293 -3.2293 -3.0451 -3.0451 -3.0379 -3.0379 -2.8575 -2.8575 -2.8051 -2.8051 -2.7059 -2.7059 -2.7053 -2.7053 -2.3246 -2.3246 -2.3126 -2.3126 -0.7062 -0.7062 -0.7042 -0.7042 0.7145 0.7145 0.7248 0.7248 0.8374 0.8374 0.8493 0.8493 1.0799 1.0799 1.0958 1.0958 1.5830 1.5830 1.5887 1.5887 7.3319 7.3319 7.3401 7.3401 9.8864 9.8864 9.8917 9.8917 10.5912 10.5912 k = 0.0930 0.5000 0.1734 ( 5168 PWs) bands (ev): -11.7011 -11.7011 -11.7003 -11.7003 -11.6052 -11.6052 -11.6051 -11.6051 -3.4639 -3.4639 -3.4499 -3.4499 -3.2424 -3.2424 -3.2277 -3.2277 -3.0453 -3.0453 -3.0373 -3.0373 -2.8633 -2.8633 -2.8036 -2.8036 -2.7049 -2.7049 -2.7045 -2.7045 -2.3180 -2.3180 -2.3039 -2.3039 -0.6938 -0.6938 -0.6915 -0.6915 0.6641 0.6641 0.6758 0.6758 0.8313 0.8313 0.8426 0.8426 1.0770 1.0770 1.0933 1.0933 1.5612 1.5612 1.5678 1.5678 7.3782 7.3782 7.3876 7.3876 9.8662 9.8662 9.8715 9.8715 10.5594 10.5594 k = 0.1047 0.5000 0.1734 ( 5168 PWs) bands (ev): -11.6962 -11.6962 -11.6953 -11.6953 -11.6023 -11.6023 -11.6023 -11.6023 -3.4631 -3.4631 -3.4474 -3.4474 -3.2428 -3.2428 -3.2259 -3.2259 -3.0455 -3.0455 -3.0368 -3.0368 -2.8692 -2.8692 -2.8024 -2.8024 -2.7037 -2.7037 -2.7037 -2.7037 -2.3105 -2.3105 -2.2943 -2.2943 -0.6797 -0.6797 -0.6773 -0.6773 0.6101 0.6101 0.6226 0.6226 0.8246 0.8246 0.8357 0.8357 1.0723 1.0723 1.0890 1.0890 1.5372 1.5372 1.5449 1.5449 7.4280 7.4280 7.4387 7.4387 9.8408 9.8408 9.8459 9.8459 10.5250 10.5250 k = 0.1163 0.5000 0.1734 ( 5172 PWs) bands (ev): -11.6908 -11.6908 -11.6898 -11.6898 -11.5991 -11.5991 -11.5991 -11.5991 -3.4621 -3.4621 -3.4446 -3.4446 -3.2431 -3.2431 -3.2240 -3.2240 -3.0456 -3.0456 -3.0364 -3.0364 -2.8754 -2.8754 -2.8014 -2.8014 -2.7028 -2.7028 -2.7025 -2.7025 -2.3023 -2.3023 -2.2838 -2.2838 -0.6642 -0.6642 -0.6616 -0.6616 0.5530 0.5530 0.5657 0.5657 0.8169 0.8169 0.8282 0.8282 1.0658 1.0658 1.0831 1.0831 1.5112 1.5112 1.5201 1.5201 7.4805 7.4805 7.4924 7.4924 9.8099 9.8099 9.8146 9.8146 10.4878 10.4878 k = 0.1279 0.5000 0.1734 ( 5164 PWs) bands (ev): -11.6850 -11.6850 -11.6839 -11.6839 -11.5957 -11.5957 -11.5957 -11.5957 -3.4607 -3.4607 -3.4415 -3.4415 -3.2434 -3.2434 -3.2220 -3.2220 -3.0456 -3.0456 -3.0361 -3.0361 -2.8815 -2.8815 -2.8006 -2.8006 -2.7019 -2.7019 -2.7011 -2.7011 -2.2935 -2.2935 -2.2726 -2.2726 -0.6471 -0.6471 -0.6443 -0.6443 0.4932 0.4932 0.5060 0.5060 0.8083 0.8083 0.8200 0.8200 1.0575 1.0575 1.0754 1.0754 1.4836 1.4836 1.4938 1.4938 7.5349 7.5349 7.5480 7.5480 9.7738 9.7738 9.7779 9.7779 10.4470 10.4470 k = 0.1395 0.5000 0.1734 ( 5168 PWs) bands (ev): -11.6787 -11.6787 -11.6775 -11.6775 -11.5920 -11.5920 -11.5920 -11.5920 -3.4592 -3.4592 -3.4382 -3.4382 -3.2438 -3.2438 -3.2199 -3.2199 -3.0456 -3.0456 -3.0358 -3.0358 -2.8878 -2.8878 -2.7999 -2.7999 -2.7010 -2.7010 -2.6997 -2.6997 -2.2842 -2.2842 -2.2607 -2.2607 -0.6286 -0.6286 -0.6257 -0.6257 0.4314 0.4314 0.4440 0.4440 0.7988 0.7988 0.8109 0.8109 1.0475 1.0475 1.0662 1.0662 1.4545 1.4545 1.4661 1.4661 7.5902 7.5902 7.6045 7.6045 9.7327 9.7327 9.7362 9.7362 10.4019 10.4019 k = 0.1512 0.5000 0.1734 ( 5164 PWs) bands (ev): -11.6719 -11.6719 -11.6707 -11.6707 -11.5881 -11.5881 -11.5881 -11.5881 -3.4573 -3.4573 -3.4347 -3.4347 -3.2442 -3.2442 -3.2176 -3.2176 -3.0455 -3.0455 -3.0357 -3.0357 -2.8941 -2.8941 -2.7994 -2.7994 -2.7001 -2.7001 -2.6982 -2.6982 -2.2744 -2.2744 -2.2482 -2.2482 -0.6087 -0.6087 -0.6057 -0.6057 0.3680 0.3680 0.3802 0.3802 0.7881 0.7881 0.8008 0.8008 1.0357 1.0357 1.0554 1.0554 1.4244 1.4244 1.4374 1.4374 7.6456 7.6456 7.6610 7.6610 9.6874 9.6874 9.6902 9.6902 10.3521 10.3521 k = 0.1628 0.5000 0.1734 ( 5164 PWs) bands (ev): -11.6648 -11.6648 -11.6635 -11.6635 -11.5840 -11.5840 -11.5839 -11.5839 -3.4551 -3.4551 -3.4309 -3.4309 -3.2447 -3.2447 -3.2152 -3.2152 -3.0453 -3.0453 -3.0356 -3.0356 -2.9005 -2.9005 -2.7990 -2.7990 -2.6993 -2.6993 -2.6967 -2.6967 -2.2644 -2.2644 -2.2353 -2.2353 -0.5875 -0.5875 -0.5843 -0.5843 0.3036 0.3036 0.3152 0.3152 0.7764 0.7764 0.7897 0.7897 1.0223 1.0223 1.0431 1.0431 1.3934 1.3934 1.4081 1.4081 7.7003 7.7003 7.7167 7.7167 9.6388 9.6388 9.6409 9.6409 10.2974 10.2974 k = 0.1744 0.5000 0.1734 ( 5168 PWs) bands (ev): -11.6573 -11.6573 -11.6560 -11.6560 -11.5796 -11.5796 -11.5796 -11.5796 -3.4526 -3.4526 -3.4269 -3.4269 -3.2452 -3.2452 -3.2127 -3.2127 -3.0450 -3.0450 -3.0357 -3.0357 -2.9067 -2.9067 -2.7986 -2.7986 -2.6984 -2.6984 -2.6952 -2.6952 -2.2541 -2.2541 -2.2220 -2.2220 -0.5649 -0.5649 -0.5617 -0.5617 0.2387 0.2387 0.2495 0.2495 0.7635 0.7635 0.7775 0.7775 1.0071 1.0071 1.0293 1.0293 1.3618 1.3618 1.3782 1.3782 7.7535 7.7535 7.7708 7.7708 9.5876 9.5876 9.5891 9.5891 10.2379 10.2379 k = 0.1860 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.6495 -11.6495 -11.6481 -11.6481 -11.5751 -11.5751 -11.5751 -11.5751 -3.4498 -3.4498 -3.4226 -3.4226 -3.2458 -3.2458 -3.2100 -3.2100 -3.0446 -3.0446 -3.0359 -3.0359 -2.9129 -2.9129 -2.7982 -2.7982 -2.6976 -2.6976 -2.6937 -2.6937 -2.2439 -2.2439 -2.2085 -2.2085 -0.5412 -0.5412 -0.5379 -0.5379 0.1738 0.1738 0.1837 0.1837 0.7494 0.7494 0.7641 0.7641 0.9903 0.9903 1.0140 1.0140 1.3300 1.3300 1.3481 1.3481 7.8045 7.8045 7.8226 7.8226 9.5349 9.5349 9.5359 9.5359 10.1741 10.1741 k = 0.1977 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.6415 -11.6415 -11.6400 -11.6400 -11.5704 -11.5704 -11.5704 -11.5704 -3.4466 -3.4466 -3.4181 -3.4181 -3.2466 -3.2466 -3.2073 -3.2073 -3.0441 -3.0441 -3.0363 -3.0363 -2.9189 -2.9189 -2.7979 -2.7979 -2.6969 -2.6969 -2.6922 -2.6922 -2.2337 -2.2337 -2.1950 -2.1950 -0.5164 -0.5164 -0.5129 -0.5129 0.1094 0.1094 0.1182 0.1182 0.7340 0.7340 0.7494 0.7494 0.9720 0.9720 0.9972 0.9972 1.2981 1.2981 1.3181 1.3181 7.8529 7.8529 7.8716 7.8716 9.4813 9.4813 9.4818 9.4818 10.1067 10.1067 k = 0.2093 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.6332 -11.6332 -11.6317 -11.6317 -11.5656 -11.5656 -11.5656 -11.5656 -3.4430 -3.4430 -3.4133 -3.4133 -3.2474 -3.2474 -3.2044 -3.2044 -3.0436 -3.0436 -3.0368 -3.0368 -2.9247 -2.9247 -2.7974 -2.7974 -2.6961 -2.6961 -2.6908 -2.6908 -2.2239 -2.2239 -2.1817 -2.1817 -0.4904 -0.4904 -0.4869 -0.4869 0.0461 0.0461 0.0536 0.0536 0.7174 0.7174 0.7335 0.7335 0.9521 0.9521 0.9791 0.9791 1.2664 1.2664 1.2883 1.2883 7.8980 7.8980 7.9172 7.9172 9.4277 9.4277 9.4278 9.4278 10.0365 10.0365 k = 0.2209 0.5000 0.1734 ( 5184 PWs) bands (ev): -11.6247 -11.6247 -11.6232 -11.6232 -11.5607 -11.5607 -11.5607 -11.5607 -3.4390 -3.4390 -3.4083 -3.4083 -3.2484 -3.2484 -3.2015 -3.2015 -3.0429 -3.0429 -3.0374 -3.0374 -2.9303 -2.9303 -2.7970 -2.7970 -2.6955 -2.6955 -2.6895 -2.6895 -2.2146 -2.2146 -2.1687 -2.1687 -0.4636 -0.4636 -0.4600 -0.4600 -0.0157 -0.0157 -0.0097 -0.0097 0.6994 0.6994 0.7162 0.7162 0.9310 0.9310 0.9596 0.9596 1.2351 1.2351 1.2588 1.2588 7.9396 7.9396 7.9590 7.9590 9.3744 9.3744 9.3746 9.3746 9.9642 9.9642 k = 0.2326 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.6160 -11.6160 -11.6145 -11.6145 -11.5557 -11.5557 -11.5557 -11.5557 -3.4346 -3.4346 -3.4030 -3.4030 -3.2495 -3.2495 -3.1984 -3.1984 -3.0422 -3.0422 -3.0382 -3.0382 -2.9357 -2.9357 -2.7964 -2.7964 -2.6949 -2.6949 -2.6883 -2.6883 -2.2059 -2.2059 -2.1562 -2.1562 -0.4360 -0.4360 -0.4322 -0.4322 -0.0753 -0.0753 -0.0709 -0.0709 0.6802 0.6802 0.6977 0.6977 0.9086 0.9086 0.9388 0.9388 1.2044 1.2044 1.2298 1.2298 7.9774 7.9774 7.9969 7.9969 9.3221 9.3221 9.3226 9.3226 9.8906 9.8906 k = 0.2442 0.5000 0.1734 ( 5168 PWs) bands (ev): -11.6073 -11.6073 -11.6057 -11.6057 -11.5507 -11.5507 -11.5506 -11.5506 -3.4297 -3.4297 -3.3975 -3.3975 -3.2507 -3.2507 -3.1953 -3.1953 -3.0414 -3.0414 -3.0390 -3.0390 -2.9407 -2.9407 -2.7957 -2.7957 -2.6944 -2.6944 -2.6873 -2.6873 -2.1980 -2.1980 -2.1445 -2.1445 -0.4078 -0.4078 -0.4040 -0.4040 -0.1321 -0.1321 -0.1296 -0.1296 0.6598 0.6598 0.6778 0.6778 0.8851 0.8851 0.9169 0.9169 1.1743 1.1743 1.2014 1.2014 8.0113 8.0113 8.0307 8.0307 9.2714 9.2714 9.2722 9.2722 9.8163 9.8163 k = 0.2558 0.5000 0.1734 ( 5172 PWs) bands (ev): -11.5984 -11.5984 -11.5969 -11.5969 -11.5457 -11.5457 -11.5456 -11.5456 -3.4244 -3.4244 -3.3918 -3.3918 -3.2521 -3.2521 -3.1921 -3.1921 -3.0406 -3.0406 -3.0400 -3.0400 -2.9454 -2.9454 -2.7949 -2.7949 -2.6939 -2.6939 -2.6865 -2.6865 -2.1913 -2.1913 -2.1337 -2.1337 -0.3797 -0.3797 -0.3756 -0.3756 -0.1853 -0.1853 -0.1847 -0.1847 0.6381 0.6381 0.6566 0.6566 0.8608 0.8608 0.8939 0.8939 1.1450 1.1450 1.1735 1.1735 8.0412 8.0412 8.0603 8.0603 9.2226 9.2226 9.2237 9.2237 9.7418 9.7418 k = 0.2674 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.5896 -11.5896 -11.5880 -11.5880 -11.5406 -11.5406 -11.5405 -11.5405 -3.4186 -3.4186 -3.3859 -3.3859 -3.2536 -3.2536 -3.1890 -3.1890 -3.0410 -3.0410 -3.0397 -3.0397 -2.9498 -2.9498 -2.7940 -2.7940 -2.6937 -2.6937 -2.6859 -2.6859 -2.1857 -2.1857 -2.1242 -2.1242 -0.3533 -0.3533 -0.3491 -0.3491 -0.2343 -0.2343 -0.2327 -0.2327 0.6154 0.6154 0.6342 0.6342 0.8358 0.8358 0.8700 0.8700 1.1164 1.1164 1.1462 1.1462 8.0673 8.0673 8.0860 8.0860 9.1760 9.1760 9.1773 9.1773 9.6678 9.6678 k = 0.2791 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.5808 -11.5808 -11.5792 -11.5792 -11.5356 -11.5356 -11.5355 -11.5355 -3.4123 -3.4123 -3.3799 -3.3799 -3.2553 -3.2553 -3.1858 -3.1858 -3.0420 -3.0420 -3.0389 -3.0389 -2.9538 -2.9538 -2.7929 -2.7929 -2.6935 -2.6935 -2.6856 -2.6856 -2.1816 -2.1816 -2.1161 -2.1161 -0.3370 -0.3370 -0.3338 -0.3338 -0.2683 -0.2683 -0.2658 -0.2658 0.5917 0.5917 0.6107 0.6107 0.8102 0.8102 0.8453 0.8453 1.0885 1.0885 1.1194 1.1194 8.0897 8.0897 8.1078 8.1078 9.1317 9.1317 9.1332 9.1332 9.5946 9.5946 k = 0.2907 0.5000 0.1734 ( 5172 PWs) bands (ev): -11.5721 -11.5721 -11.5705 -11.5705 -11.5306 -11.5306 -11.5305 -11.5305 -3.4055 -3.4055 -3.3737 -3.3737 -3.2570 -3.2570 -3.1827 -3.1827 -3.0428 -3.0428 -3.0379 -3.0379 -2.9574 -2.9574 -2.7917 -2.7917 -2.6934 -2.6934 -2.6856 -2.6856 -2.1789 -2.1789 -2.1097 -2.1097 -0.3540 -0.3540 -0.3520 -0.3520 -0.2631 -0.2631 -0.2625 -0.2625 0.5671 0.5671 0.5863 0.5863 0.7844 0.7844 0.8201 0.8201 1.0614 1.0614 1.0930 1.0930 8.1088 8.1088 8.1262 8.1262 9.0899 9.0899 9.0916 9.0916 9.5226 9.5226 k = 0.3023 0.5000 0.1734 ( 5160 PWs) bands (ev): -11.5635 -11.5635 -11.5620 -11.5620 -11.5257 -11.5257 -11.5256 -11.5256 -3.3981 -3.3981 -3.3674 -3.3674 -3.2588 -3.2588 -3.1796 -3.1796 -3.0435 -3.0435 -3.0369 -3.0369 -2.9605 -2.9605 -2.7904 -2.7904 -2.6935 -2.6935 -2.6860 -2.6860 -2.1779 -2.1779 -2.1050 -2.1050 -0.3902 -0.3902 -0.3847 -0.3847 -0.2382 -0.2382 -0.2360 -0.2360 0.5419 0.5419 0.5610 0.5610 0.7583 0.7583 0.7944 0.7944 1.0349 1.0349 1.0671 1.0671 8.1248 8.1248 8.1414 8.1414 9.0506 9.0506 9.0525 9.0525 9.4522 9.4522 k = 0.3140 0.5000 0.1734 ( 5160 PWs) bands (ev): -11.5551 -11.5551 -11.5536 -11.5536 -11.5209 -11.5209 -11.5208 -11.5208 -3.3904 -3.3904 -3.3612 -3.3612 -3.2608 -3.2608 -3.1768 -3.1768 -3.0439 -3.0439 -3.0360 -3.0360 -2.9633 -2.9633 -2.7889 -2.7889 -2.6937 -2.6937 -2.6869 -2.6869 -2.1785 -2.1785 -2.1024 -2.1024 -0.4259 -0.4259 -0.4178 -0.4178 -0.2080 -0.2080 -0.2051 -0.2051 0.5162 0.5162 0.5351 0.5351 0.7322 0.7322 0.7685 0.7685 1.0090 1.0090 1.0415 1.0415 8.1381 8.1381 8.1538 8.1538 9.0139 9.0139 9.0160 9.0160 9.3836 9.3836 k = 0.3256 0.5000 0.1734 ( 5164 PWs) bands (ev): -11.5469 -11.5469 -11.5454 -11.5454 -11.5163 -11.5163 -11.5162 -11.5162 -3.3821 -3.3821 -3.3550 -3.3550 -3.2628 -3.2628 -3.1743 -3.1743 -3.0440 -3.0440 -3.0351 -3.0351 -2.9655 -2.9655 -2.7874 -2.7874 -2.6941 -2.6941 -2.6882 -2.6882 -2.1808 -2.1808 -2.1018 -2.1018 -0.4582 -0.4582 -0.4479 -0.4479 -0.1761 -0.1761 -0.1728 -0.1728 0.4901 0.4901 0.5089 0.5089 0.7062 0.7062 0.7425 0.7425 0.9837 0.9837 1.0163 1.0163 8.1491 8.1491 8.1639 8.1639 8.9797 8.9797 8.9819 8.9819 9.3170 9.3170 k = 0.3372 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.5389 -11.5389 -11.5375 -11.5375 -11.5118 -11.5118 -11.5117 -11.5117 -3.3733 -3.3733 -3.3490 -3.3490 -3.2649 -3.2649 -3.1721 -3.1721 -3.0435 -3.0435 -3.0342 -3.0342 -2.9673 -2.9673 -2.7859 -2.7859 -2.6947 -2.6947 -2.6902 -2.6902 -2.1846 -2.1846 -2.1034 -2.1034 -0.4862 -0.4862 -0.4741 -0.4741 -0.1435 -0.1435 -0.1398 -0.1398 0.4640 0.4640 0.4824 0.4824 0.6803 0.6803 0.7165 0.7165 0.9588 0.9588 0.9914 0.9914 8.1583 8.1583 8.1721 8.1721 8.9479 8.9479 8.9503 8.9503 9.2526 9.2526 k = 0.3488 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.5313 -11.5313 -11.5300 -11.5300 -11.5075 -11.5075 -11.5074 -11.5074 -3.3641 -3.3641 -3.3431 -3.3431 -3.2670 -3.2670 -3.1705 -3.1705 -3.0425 -3.0425 -3.0333 -3.0333 -2.9683 -2.9683 -2.7843 -2.7843 -2.6955 -2.6955 -2.6927 -2.6927 -2.1898 -2.1898 -2.1071 -2.1071 -0.5099 -0.5099 -0.4962 -0.4962 -0.1106 -0.1106 -0.1064 -0.1064 0.4381 0.4381 0.4559 0.4559 0.6548 0.6548 0.6908 0.6908 0.9345 0.9345 0.9668 0.9668 8.1661 8.1661 8.1789 8.1789 8.9187 8.9187 8.9211 8.9211 9.1910 9.1910 k = 0.3605 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.5241 -11.5241 -11.5228 -11.5228 -11.5034 -11.5034 -11.5033 -11.5033 -3.3545 -3.3545 -3.3374 -3.3374 -3.2692 -3.2692 -3.1694 -3.1694 -3.0410 -3.0410 -3.0325 -3.0325 -2.9686 -2.9686 -2.7828 -2.7828 -2.6964 -2.6964 -2.6958 -2.6958 -2.1961 -2.1961 -2.1127 -2.1127 -0.5291 -0.5291 -0.5142 -0.5142 -0.0776 -0.0776 -0.0730 -0.0730 0.4125 0.4125 0.4297 0.4297 0.6297 0.6297 0.6653 0.6653 0.9108 0.9108 0.9426 0.9426 8.1728 8.1728 8.1846 8.1846 8.8917 8.8917 8.8943 8.8943 9.1321 9.1321 k = 0.3721 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.5172 -11.5172 -11.5160 -11.5160 -11.4995 -11.4995 -11.4994 -11.4994 -3.3445 -3.3445 -3.3320 -3.3320 -3.2713 -3.2713 -3.1692 -3.1692 -3.0388 -3.0388 -3.0317 -3.0317 -2.9679 -2.9679 -2.7814 -2.7814 -2.6996 -2.6996 -2.6975 -2.6975 -2.2032 -2.2032 -2.1202 -2.1202 -0.5441 -0.5441 -0.5283 -0.5283 -0.0447 -0.0447 -0.0396 -0.0396 0.3875 0.3875 0.4040 0.4040 0.6052 0.6052 0.6403 0.6403 0.8876 0.8876 0.9187 0.9187 8.1787 8.1787 8.1895 8.1895 8.8671 8.8671 8.8696 8.8696 9.0764 9.0764 k = 0.3837 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.5108 -11.5108 -11.5097 -11.5097 -11.4959 -11.4959 -11.4958 -11.4958 -3.3341 -3.3341 -3.3270 -3.3270 -3.2734 -3.2734 -3.1698 -3.1698 -3.0363 -3.0363 -3.0309 -3.0309 -2.9660 -2.9660 -2.7805 -2.7805 -2.7040 -2.7040 -2.6988 -2.6988 -2.2107 -2.2107 -2.1292 -2.1292 -0.5552 -0.5552 -0.5389 -0.5389 -0.0121 -0.0121 -0.0064 -0.0064 0.3633 0.3633 0.3789 0.3789 0.5813 0.5813 0.6159 0.6159 0.8653 0.8653 0.8954 0.8954 8.1842 8.1842 8.1940 8.1940 8.8447 8.8447 8.8472 8.8472 9.0240 9.0240 k = 0.3953 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.5049 -11.5049 -11.5039 -11.5039 -11.4926 -11.4926 -11.4925 -11.4925 -3.3235 -3.3235 -3.3222 -3.3222 -3.2755 -3.2755 -3.1713 -3.1713 -3.0337 -3.0337 -3.0301 -3.0301 -2.9626 -2.9626 -2.7802 -2.7802 -2.7089 -2.7089 -2.7003 -2.7003 -2.2182 -2.2182 -2.1395 -2.1395 -0.5627 -0.5627 -0.5463 -0.5463 0.0200 0.0200 0.0264 0.0264 0.3402 0.3402 0.3548 0.3548 0.5583 0.5583 0.5920 0.5920 0.8438 0.8438 0.8728 0.8728 8.1895 8.1895 8.1983 8.1983 8.8244 8.8244 8.8268 8.8268 8.9751 8.9751 k = 0.4070 0.5000 0.1734 ( 5180 PWs) bands (ev): -11.4995 -11.4995 -11.4986 -11.4986 -11.4895 -11.4895 -11.4894 -11.4894 -3.3179 -3.3179 -3.3127 -3.3127 -3.2776 -3.2776 -3.1738 -3.1738 -3.0311 -3.0311 -3.0294 -3.0294 -2.9573 -2.9573 -2.7809 -2.7809 -2.7138 -2.7138 -2.7020 -2.7020 -2.2254 -2.2254 -2.1508 -2.1508 -0.5671 -0.5671 -0.5511 -0.5511 0.0513 0.0513 0.0584 0.0584 0.3185 0.3185 0.3318 0.3318 0.5362 0.5362 0.5689 0.5689 0.8235 0.8235 0.8510 0.8510 8.1948 8.1948 8.2026 8.2026 8.8063 8.8063 8.8086 8.8086 8.9300 8.9300 k = 0.4186 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.4947 -11.4947 -11.4938 -11.4938 -11.4868 -11.4868 -11.4867 -11.4867 -3.3139 -3.3139 -3.3017 -3.3017 -3.2796 -3.2796 -3.1773 -3.1773 -3.0289 -3.0289 -3.0288 -3.0288 -2.9501 -2.9501 -2.7831 -2.7831 -2.7184 -2.7184 -2.7039 -2.7039 -2.2318 -2.2318 -2.1627 -2.1627 -0.5689 -0.5689 -0.5537 -0.5537 0.0815 0.0815 0.0896 0.0896 0.2985 0.2985 0.3103 0.3103 0.5151 0.5151 0.5465 0.5465 0.8046 0.8046 0.8302 0.8302 8.2000 8.2000 8.2069 8.2069 8.7902 8.7902 8.7923 8.7923 8.8890 8.8890 k = 0.4302 0.5000 0.1734 ( 5172 PWs) bands (ev): -11.4905 -11.4905 -11.4897 -11.4897 -11.4844 -11.4844 -11.4842 -11.4842 -3.3103 -3.3103 -3.2910 -3.2910 -3.2812 -3.2812 -3.1818 -3.1818 -3.0282 -3.0282 -3.0273 -3.0273 -2.9409 -2.9409 -2.7875 -2.7875 -2.7221 -2.7221 -2.7059 -2.7059 -2.2372 -2.2372 -2.1749 -2.1749 -0.5686 -0.5686 -0.5546 -0.5546 0.1104 0.1104 0.1194 0.1194 0.2805 0.2805 0.2905 0.2905 0.4953 0.4953 0.5250 0.5250 0.7875 0.7875 0.8108 0.8108 8.2052 8.2052 8.2112 8.2112 8.7760 8.7760 8.7779 8.7779 8.8526 8.8526 k = 0.4419 0.5000 0.1734 ( 5168 PWs) bands (ev): -11.4869 -11.4869 -11.4862 -11.4862 -11.4822 -11.4822 -11.4821 -11.4821 -3.3070 -3.3070 -3.2851 -3.2851 -3.2780 -3.2780 -3.1872 -3.1872 -3.0276 -3.0276 -3.0261 -3.0261 -2.9299 -2.9299 -2.7943 -2.7943 -2.7245 -2.7245 -2.7081 -2.7081 -2.2411 -2.2411 -2.1869 -2.1869 -0.5669 -0.5669 -0.5545 -0.5545 0.1375 0.1375 0.1474 0.1474 0.2649 0.2649 0.2728 0.2728 0.4770 0.4770 0.5043 0.5043 0.7725 0.7725 0.7930 0.7930 8.2104 8.2104 8.2153 8.2153 8.7637 8.7637 8.7654 8.7654 8.8211 8.8211 k = 0.4535 0.5000 0.1734 ( 5168 PWs) bands (ev): -11.4840 -11.4840 -11.4834 -11.4834 -11.4804 -11.4804 -11.4803 -11.4803 -3.3040 -3.3040 -3.2863 -3.2863 -3.2677 -3.2677 -3.1935 -3.1935 -3.0271 -3.0271 -3.0254 -3.0254 -2.9173 -2.9173 -2.8037 -2.8037 -2.7255 -2.7255 -2.7105 -2.7105 -2.2434 -2.2434 -2.1984 -2.1984 -0.5642 -0.5642 -0.5538 -0.5538 0.1622 0.1622 0.1729 0.1729 0.2519 0.2519 0.2573 0.2573 0.4606 0.4606 0.4849 0.4849 0.7600 0.7600 0.7772 0.7772 8.2152 8.2152 8.2192 8.2192 8.7531 8.7531 8.7544 8.7544 8.7952 8.7952 k = 0.4651 0.5000 0.1734 ( 5156 PWs) bands (ev): -11.4817 -11.4817 -11.4813 -11.4813 -11.4788 -11.4788 -11.4788 -11.4788 -3.3013 -3.3013 -3.2882 -3.2882 -3.2569 -3.2569 -3.2006 -3.2006 -3.0265 -3.0265 -3.0251 -3.0251 -2.9035 -2.9035 -2.8153 -2.8153 -2.7252 -2.7252 -2.7129 -2.7129 -2.2438 -2.2438 -2.2092 -2.2092 -0.5612 -0.5612 -0.5530 -0.5530 0.1837 0.1837 0.1950 0.1950 0.2420 0.2420 0.2444 0.2444 0.4469 0.4469 0.4670 0.4670 0.7504 0.7504 0.7639 0.7639 8.2194 8.2194 8.2225 8.2225 8.7438 8.7438 8.7448 8.7448 8.7756 8.7756 k = 0.4767 0.5000 0.1734 ( 5152 PWs) bands (ev): -11.4802 -11.4802 -11.4799 -11.4799 -11.4776 -11.4776 -11.4776 -11.4776 -3.2988 -3.2988 -3.2901 -3.2901 -3.2464 -3.2464 -3.2085 -3.2085 -3.0261 -3.0261 -3.0250 -3.0250 -2.8887 -2.8887 -2.8285 -2.8285 -2.7241 -2.7241 -2.7154 -2.7154 -2.2424 -2.2424 -2.2189 -2.2189 -0.5582 -0.5582 -0.5526 -0.5526 0.2008 0.2008 0.2123 0.2123 0.2343 0.2343 0.2356 0.2356 0.4368 0.4368 0.4515 0.4515 0.7440 0.7440 0.7533 0.7533 8.2229 8.2229 8.2249 8.2249 8.7360 8.7360 8.7365 8.7365 8.7626 8.7626 k = 0.4884 0.5000 0.1734 ( 5144 PWs) bands (ev): -11.4793 -11.4793 -11.4792 -11.4792 -11.4768 -11.4768 -11.4768 -11.4768 -3.2964 -3.2964 -3.2921 -3.2921 -3.2361 -3.2361 -3.2171 -3.2171 -3.0257 -3.0257 -3.0251 -3.0251 -2.8734 -2.8734 -2.8429 -2.8429 -2.7223 -2.7223 -2.7178 -2.7178 -2.2391 -2.2391 -2.2272 -2.2272 -0.5556 -0.5556 -0.5528 -0.5528 0.2124 0.2124 0.2222 0.2222 0.2283 0.2283 0.2326 0.2326 0.4317 0.4317 0.4396 0.4396 0.7411 0.7411 0.7458 0.7458 8.2253 8.2253 8.2263 8.2263 8.7304 8.7304 8.7306 8.7306 8.7556 8.7556 k = 0.5000 0.5000 0.1734 ( 5152 PWs) bands (ev): -11.4790 -11.4790 -11.4790 -11.4790 -11.4766 -11.4766 -11.4766 -11.4766 -3.2943 -3.2943 -3.2943 -3.2943 -3.2264 -3.2264 -3.2264 -3.2264 -3.0254 -3.0254 -3.0254 -3.0254 -2.8580 -2.8580 -2.8580 -2.8580 -2.7202 -2.7202 -2.7202 -2.7202 -2.2340 -2.2340 -2.2340 -2.2340 -0.5538 -0.5538 -0.5538 -0.5538 0.2192 0.2192 0.2192 0.2192 0.2308 0.2308 0.2308 0.2308 0.4326 0.4326 0.4326 0.4326 0.7417 0.7417 0.7417 0.7417 8.2265 8.2265 8.2265 8.2265 8.7284 8.7284 8.7284 8.7284 8.7535 8.7535 k = 0.5000 0.5000 0.1734 ( 5152 PWs) bands (ev): -11.4790 -11.4790 -11.4790 -11.4790 -11.4766 -11.4766 -11.4766 -11.4766 -3.2943 -3.2943 -3.2943 -3.2943 -3.2264 -3.2264 -3.2264 -3.2264 -3.0254 -3.0254 -3.0254 -3.0254 -2.8580 -2.8580 -2.8580 -2.8580 -2.7202 -2.7202 -2.7202 -2.7202 -2.2340 -2.2340 -2.2340 -2.2340 -0.5538 -0.5538 -0.5538 -0.5538 0.2192 0.2192 0.2192 0.2192 0.2308 0.2308 0.2308 0.2308 0.4326 0.4326 0.4326 0.4326 0.7417 0.7417 0.7417 0.7417 8.2265 8.2265 8.2265 8.2265 8.7284 8.7284 8.7284 8.7284 8.7535 8.7535 k = 0.4918 0.4918 0.1734 ( 5144 PWs) bands (ev): -11.4793 -11.4793 -11.4792 -11.4792 -11.4768 -11.4768 -11.4768 -11.4768 -3.2964 -3.2964 -3.2922 -3.2922 -3.2361 -3.2361 -3.2172 -3.2172 -3.0257 -3.0257 -3.0251 -3.0251 -2.8734 -2.8734 -2.8429 -2.8429 -2.7223 -2.7223 -2.7178 -2.7178 -2.2391 -2.2391 -2.2272 -2.2272 -0.5556 -0.5556 -0.5528 -0.5528 0.2126 0.2126 0.2233 0.2233 0.2274 0.2274 0.2323 0.2323 0.4317 0.4317 0.4395 0.4395 0.7411 0.7411 0.7458 0.7458 8.2253 8.2253 8.2263 8.2263 8.7304 8.7304 8.7306 8.7306 8.7556 8.7556 k = 0.4836 0.4836 0.1734 ( 5148 PWs) bands (ev): -11.4804 -11.4804 -11.4802 -11.4802 -11.4774 -11.4774 -11.4773 -11.4773 -3.2987 -3.2987 -3.2902 -3.2902 -3.2463 -3.2463 -3.2086 -3.2086 -3.0261 -3.0261 -3.0249 -3.0249 -2.8888 -2.8888 -2.8284 -2.8284 -2.7243 -2.7243 -2.7152 -2.7152 -2.2424 -2.2424 -2.2188 -2.2188 -0.5583 -0.5583 -0.5527 -0.5527 0.2020 0.2020 0.2210 0.2210 0.2245 0.2245 0.2354 0.2354 0.4370 0.4370 0.4515 0.4515 0.7440 0.7440 0.7533 0.7533 8.2230 8.2230 8.2250 8.2250 8.7364 8.7364 8.7367 8.7367 8.7622 8.7622 k = 0.4754 0.4754 0.1734 ( 5162 PWs) bands (ev): -11.4824 -11.4824 -11.4822 -11.4822 -11.4781 -11.4781 -11.4779 -11.4779 -3.3011 -3.3011 -3.2884 -3.2884 -3.2568 -3.2568 -3.2008 -3.2008 -3.0268 -3.0268 -3.0247 -3.0247 -2.9038 -2.9038 -2.8147 -2.8147 -2.7261 -2.7261 -2.7124 -2.7124 -2.2437 -2.2437 -2.2090 -2.2090 -0.5616 -0.5616 -0.5534 -0.5534 0.1874 0.1874 0.2113 0.2113 0.2238 0.2238 0.2420 0.2420 0.4476 0.4476 0.4672 0.4672 0.7503 0.7503 0.7639 0.7639 8.2196 8.2196 8.2226 8.2226 8.7457 8.7457 8.7459 8.7459 8.7737 8.7737 k = 0.4672 0.4672 0.1734 ( 5156 PWs) bands (ev): -11.4855 -11.4855 -11.4853 -11.4853 -11.4788 -11.4788 -11.4784 -11.4784 -3.3035 -3.3035 -3.2867 -3.2867 -3.2676 -3.2676 -3.1939 -3.1939 -3.0277 -3.0277 -3.0244 -3.0244 -2.9183 -2.9183 -2.8021 -2.8021 -2.7277 -2.7277 -2.7093 -2.7093 -2.2429 -2.2429 -2.1976 -2.1976 -0.5655 -0.5655 -0.5549 -0.5549 0.1699 0.1699 0.1975 0.1975 0.2254 0.2254 0.2503 0.2503 0.4624 0.4624 0.4857 0.4857 0.7598 0.7598 0.7773 0.7773 8.2156 8.2156 8.2196 8.2196 8.7574 8.7574 8.7574 8.7574 8.7906 8.7906 k = 0.4590 0.4590 0.1734 ( 5160 PWs) bands (ev): -11.4895 -11.4895 -11.4894 -11.4894 -11.4795 -11.4795 -11.4790 -11.4790 -3.3061 -3.3061 -3.2853 -3.2853 -3.2785 -3.2785 -3.1879 -3.1879 -3.0288 -3.0288 -3.0241 -3.0241 -2.9319 -2.9319 -2.7909 -2.7909 -2.7292 -2.7292 -2.7061 -2.7061 -2.2398 -2.2398 -2.1849 -2.1849 -0.5700 -0.5700 -0.5572 -0.5572 0.1509 0.1509 0.1811 0.1811 0.2289 0.2289 0.2598 0.2598 0.4802 0.4802 0.5062 0.5062 0.7722 0.7722 0.7932 0.7932 8.2112 8.2112 8.2163 8.2163 8.7710 8.7710 8.7711 8.7711 8.8127 8.8127 k = 0.4508 0.4508 0.1734 ( 5164 PWs) bands (ev): -11.4945 -11.4945 -11.4944 -11.4944 -11.4803 -11.4803 -11.4797 -11.4797 -3.3088 -3.3088 -3.2895 -3.2895 -3.2842 -3.2842 -3.1829 -3.1829 -3.0304 -3.0304 -3.0237 -3.0237 -2.9442 -2.9442 -2.7812 -2.7812 -2.7306 -2.7306 -2.7028 -2.7028 -2.2344 -2.2344 -2.1708 -2.1708 -0.5748 -0.5748 -0.5601 -0.5601 0.1312 0.1312 0.1634 0.1634 0.2343 0.2343 0.2705 0.2705 0.5003 0.5003 0.5282 0.5282 0.7871 0.7871 0.8111 0.8111 8.2070 8.2070 8.2130 8.2130 8.7867 8.7867 8.7869 8.7869 8.8395 8.8395 k = 0.4426 0.4426 0.1734 ( 5168 PWs) bands (ev): -11.5003 -11.5003 -11.5002 -11.5002 -11.4813 -11.4813 -11.4805 -11.4805 -3.3116 -3.3116 -3.3005 -3.3005 -3.2835 -3.2835 -3.1791 -3.1791 -3.0325 -3.0325 -3.0230 -3.0230 -2.9550 -2.9550 -2.7731 -2.7731 -2.7320 -2.7320 -2.6996 -2.6996 -2.2265 -2.2265 -2.1555 -2.1555 -0.5799 -0.5799 -0.5637 -0.5637 0.1115 0.1115 0.1451 0.1451 0.2414 0.2414 0.2821 0.2821 0.5223 0.5223 0.5516 0.5516 0.8041 0.8041 0.8308 0.8308 8.2031 8.2031 8.2102 8.2102 8.8045 8.8045 8.8047 8.8047 8.8704 8.8704 k = 0.4344 0.4344 0.1734 ( 5180 PWs) bands (ev): -11.5071 -11.5071 -11.5070 -11.5070 -11.4823 -11.4823 -11.4814 -11.4814 -3.3150 -3.3150 -3.3111 -3.3111 -3.2833 -3.2833 -3.1763 -3.1763 -3.0354 -3.0354 -3.0222 -3.0222 -2.9640 -2.9640 -2.7667 -2.7667 -2.7333 -2.7333 -2.6966 -2.6966 -2.2160 -2.2160 -2.1389 -2.1389 -0.5852 -0.5852 -0.5677 -0.5677 0.0920 0.0920 0.1268 0.1268 0.2503 0.2503 0.2947 0.2947 0.5459 0.5459 0.5761 0.5761 0.8228 0.8228 0.8518 0.8518 8.1998 8.1998 8.2079 8.2079 8.8244 8.8244 8.8247 8.8247 8.9049 8.9049 k = 0.4262 0.4262 0.1734 ( 5176 PWs) bands (ev): -11.5147 -11.5147 -11.5145 -11.5145 -11.4835 -11.4835 -11.4825 -11.4825 -3.3229 -3.3229 -3.3171 -3.3171 -3.2836 -3.2836 -3.1747 -3.1747 -3.0390 -3.0390 -3.0211 -3.0211 -2.9710 -2.9710 -2.7618 -2.7618 -2.7347 -2.7347 -2.6941 -2.6941 -2.2029 -2.2029 -2.1211 -2.1211 -0.5904 -0.5904 -0.5720 -0.5720 0.0733 0.0733 0.1089 0.1089 0.2609 0.2609 0.3083 0.3083 0.5708 0.5708 0.6015 0.6015 0.8429 0.8429 0.8739 0.8739 8.1973 8.1973 8.2065 8.2065 8.8463 8.8463 8.8466 8.8466 8.9426 8.9426 k = 0.4180 0.4180 0.1734 ( 5184 PWs) bands (ev): -11.5230 -11.5230 -11.5229 -11.5229 -11.4848 -11.4848 -11.4837 -11.4837 -3.3335 -3.3335 -3.3205 -3.3205 -3.2845 -3.2845 -3.1740 -3.1740 -3.0434 -3.0434 -3.0196 -3.0196 -2.9759 -2.9759 -2.7584 -2.7584 -2.7361 -2.7361 -2.6923 -2.6923 -2.1873 -2.1873 -2.1021 -2.1021 -0.5954 -0.5954 -0.5765 -0.5765 0.0555 0.0555 0.0918 0.0918 0.2730 0.2730 0.3227 0.3227 0.5969 0.5969 0.6279 0.6279 0.8639 0.8639 0.8966 0.8966 8.1956 8.1956 8.2059 8.2059 8.8703 8.8703 8.8704 8.8704 8.9833 8.9833 k = 0.4098 0.4098 0.1734 ( 5180 PWs) bands (ev): -11.5322 -11.5322 -11.5321 -11.5321 -11.4861 -11.4861 -11.4850 -11.4850 -3.3440 -3.3440 -3.3239 -3.3239 -3.2862 -3.2862 -3.1742 -3.1742 -3.0483 -3.0483 -3.0179 -3.0179 -2.9789 -2.9789 -2.7563 -2.7563 -2.7377 -2.7377 -2.6914 -2.6914 -2.1693 -2.1693 -2.0819 -2.0819 -0.6001 -0.6001 -0.5809 -0.5809 0.0388 0.0388 0.0756 0.0756 0.2867 0.2867 0.3381 0.3381 0.6241 0.6241 0.6551 0.6551 0.8857 0.8857 0.9199 0.9199 8.1947 8.1947 8.2061 8.2061 8.8960 8.8960 8.8961 8.8961 9.0266 9.0266 k = 0.4016 0.4016 0.1734 ( 5176 PWs) bands (ev): -11.5422 -11.5422 -11.5420 -11.5420 -11.4877 -11.4877 -11.4864 -11.4864 -3.3543 -3.3543 -3.3274 -3.3274 -3.2887 -3.2887 -3.1752 -3.1752 -3.0535 -3.0535 -3.0157 -3.0157 -2.9804 -2.9804 -2.7553 -2.7553 -2.7394 -2.7394 -2.6914 -2.6914 -2.1489 -2.1489 -2.0606 -2.0606 -0.6043 -0.6043 -0.5852 -0.5852 0.0235 0.0235 0.0607 0.0607 0.3018 0.3018 0.3545 0.3545 0.6523 0.6523 0.6830 0.6830 0.9079 0.9079 0.9436 0.9436 8.1944 8.1944 8.2070 8.2070 8.9234 8.9234 8.9237 8.9237 9.0723 9.0723 k = 0.3934 0.3934 0.1734 ( 5176 PWs) bands (ev): -11.5528 -11.5528 -11.5527 -11.5527 -11.4893 -11.4893 -11.4879 -11.4879 -3.3643 -3.3643 -3.3311 -3.3311 -3.2920 -3.2920 -3.1768 -3.1768 -3.0586 -3.0586 -3.0132 -3.0132 -2.9809 -2.9809 -2.7554 -2.7554 -2.7412 -2.7412 -2.6924 -2.6924 -2.1263 -2.1263 -2.0382 -2.0382 -0.6079 -0.6079 -0.5891 -0.5891 0.0097 0.0097 0.0470 0.0470 0.3183 0.3183 0.3717 0.3717 0.6813 0.6813 0.7114 0.7114 0.9304 0.9304 0.9674 0.9674 8.1946 8.1946 8.2084 8.2084 8.9525 8.9525 8.9531 8.9531 9.1202 9.1202 k = 0.3852 0.3852 0.1734 ( 5172 PWs) bands (ev): -11.5642 -11.5642 -11.5641 -11.5641 -11.4910 -11.4910 -11.4895 -11.4895 -3.3741 -3.3741 -3.3350 -3.3350 -3.2961 -3.2961 -3.1788 -3.1788 -3.0634 -3.0634 -3.0104 -3.0104 -2.9805 -2.9805 -2.7565 -2.7565 -2.7433 -2.7433 -2.6944 -2.6944 -2.1018 -2.1018 -2.0148 -2.0148 -0.6107 -0.6107 -0.5925 -0.5925 -0.0026 -0.0026 0.0349 0.0349 0.3361 0.3361 0.3898 0.3898 0.7109 0.7109 0.7402 0.7402 0.9532 0.9532 0.9914 0.9914 8.1950 8.1950 8.2100 8.2100 8.9832 8.9832 8.9841 8.9841 9.1702 9.1702 k = 0.3770 0.3770 0.1734 ( 5168 PWs) bands (ev): -11.5762 -11.5762 -11.5761 -11.5761 -11.4929 -11.4929 -11.4913 -11.4913 -3.3835 -3.3835 -3.3389 -3.3389 -3.3011 -3.3011 -3.1813 -3.1813 -3.0678 -3.0678 -3.0071 -3.0071 -2.9796 -2.9796 -2.7584 -2.7584 -2.7456 -2.7456 -2.6974 -2.6974 -2.0754 -2.0754 -1.9904 -1.9904 -0.6125 -0.6125 -0.5951 -0.5951 -0.0133 -0.0133 0.0242 0.0242 0.3551 0.3551 0.4088 0.4088 0.7410 0.7410 0.7693 0.7693 0.9760 0.9760 1.0155 1.0155 8.1952 8.1952 8.2115 8.2115 9.0154 9.0154 9.0169 9.0169 9.2221 9.2221 k = 0.3689 0.3689 0.1734 ( 5176 PWs) bands (ev): -11.5888 -11.5888 -11.5887 -11.5887 -11.4948 -11.4948 -11.4932 -11.4932 -3.3926 -3.3926 -3.3431 -3.3431 -3.3068 -3.3068 -3.1842 -3.1842 -3.0717 -3.0717 -3.0035 -3.0035 -2.9785 -2.9785 -2.7612 -2.7612 -2.7482 -2.7482 -2.7013 -2.7013 -2.0475 -2.0475 -1.9650 -1.9650 -0.6133 -0.6133 -0.5969 -0.5969 -0.0223 -0.0223 0.0151 0.0151 0.3752 0.3752 0.4287 0.4287 0.7713 0.7713 0.7984 0.7984 0.9990 0.9990 1.0397 1.0397 8.1948 8.1948 8.2122 8.2122 9.0494 9.0494 9.0513 9.0513 9.2758 9.2758 k = 0.3607 0.3607 0.1734 ( 5184 PWs) bands (ev): -11.6021 -11.6021 -11.6019 -11.6019 -11.4969 -11.4969 -11.4952 -11.4952 -3.4013 -3.4013 -3.3473 -3.3473 -3.3131 -3.3131 -3.1874 -3.1874 -3.0750 -3.0750 -2.9997 -2.9997 -2.9772 -2.9772 -2.7647 -2.7647 -2.7510 -2.7510 -2.7062 -2.7062 -2.0182 -2.0182 -1.9388 -1.9388 -0.6128 -0.6128 -0.5976 -0.5976 -0.0296 -0.0296 0.0076 0.0076 0.3964 0.3964 0.4494 0.4494 0.8016 0.8016 0.8274 0.8274 1.0222 1.0222 1.0641 1.0641 8.1933 8.1933 8.2119 8.2119 9.0850 9.0850 9.0876 9.0876 9.3309 9.3309 k = 0.3525 0.3525 0.1734 ( 5180 PWs) bands (ev): -11.6158 -11.6158 -11.6157 -11.6157 -11.4990 -11.4990 -11.4972 -11.4972 -3.4097 -3.4097 -3.3516 -3.3516 -3.3198 -3.3198 -3.1909 -3.1909 -3.0778 -3.0778 -2.9954 -2.9954 -2.9759 -2.9759 -2.7689 -2.7689 -2.7540 -2.7540 -2.7118 -2.7118 -1.9876 -1.9876 -1.9117 -1.9117 -0.6109 -0.6109 -0.5970 -0.5970 -0.0353 -0.0353 0.0017 0.0017 0.4185 0.4185 0.4710 0.4710 0.8316 0.8316 0.8560 0.8560 1.0456 1.0456 1.0887 1.0887 8.1901 8.1901 8.2099 8.2099 9.1224 9.1224 9.1256 9.1256 9.3875 9.3875 k = 0.3443 0.3443 0.1734 ( 5184 PWs) bands (ev): -11.6301 -11.6301 -11.6300 -11.6300 -11.5013 -11.5013 -11.4994 -11.4994 -3.4176 -3.4176 -3.3561 -3.3561 -3.3270 -3.3270 -3.1948 -3.1948 -3.0801 -3.0801 -2.9910 -2.9910 -2.9746 -2.9746 -2.7737 -2.7737 -2.7572 -2.7572 -2.7182 -2.7182 -1.9560 -1.9560 -1.8839 -1.8839 -0.6076 -0.6076 -0.5951 -0.5951 -0.0392 -0.0392 -0.0025 -0.0025 0.4415 0.4415 0.4932 0.4932 0.8611 0.8611 0.8841 0.8841 1.0695 1.0695 1.1136 1.1136 8.1848 8.1848 8.2056 8.2056 9.1618 9.1618 9.1657 9.1657 9.4451 9.4451 k = 0.3361 0.3361 0.1734 ( 5172 PWs) bands (ev): -11.6449 -11.6449 -11.6447 -11.6447 -11.5036 -11.5036 -11.5017 -11.5017 -3.4252 -3.4252 -3.3605 -3.3605 -3.3344 -3.3344 -3.1989 -3.1989 -3.0820 -3.0820 -2.9863 -2.9863 -2.9734 -2.9734 -2.7790 -2.7790 -2.7605 -2.7605 -2.7253 -2.7253 -1.9235 -1.9235 -1.8554 -1.8554 -0.6027 -0.6027 -0.5916 -0.5916 -0.0414 -0.0414 -0.0051 -0.0051 0.4653 0.4653 0.5162 0.5162 0.8898 0.8898 0.9114 0.9114 1.0939 1.0939 1.1391 1.1391 8.1767 8.1767 8.1986 8.1986 9.2033 9.2033 9.2078 9.2078 9.5035 9.5035 k = 0.3279 0.3279 0.1734 ( 5186 PWs) bands (ev): -11.6600 -11.6600 -11.6599 -11.6599 -11.5061 -11.5061 -11.5041 -11.5041 -3.4323 -3.4323 -3.3650 -3.3650 -3.3419 -3.3419 -3.2035 -3.2035 -3.0837 -3.0837 -2.9815 -2.9815 -2.9725 -2.9725 -2.7849 -2.7849 -2.7640 -2.7640 -2.7331 -2.7331 -1.8902 -1.8902 -1.8264 -1.8264 -0.5960 -0.5960 -0.5864 -0.5864 -0.0420 -0.0420 -0.0062 -0.0062 0.4899 0.4899 0.5398 0.5398 0.9175 0.9175 0.9377 0.9377 1.1190 1.1190 1.1652 1.1652 8.1654 8.1654 8.1881 8.1881 9.2470 9.2470 9.2521 9.2521 9.5624 9.5624 k = 0.3197 0.3197 0.1734 ( 5182 PWs) bands (ev): -11.6756 -11.6756 -11.6754 -11.6754 -11.5086 -11.5086 -11.5065 -11.5065 -3.4391 -3.4391 -3.3694 -3.3694 -3.3495 -3.3495 -3.2082 -3.2082 -3.0851 -3.0851 -2.9767 -2.9767 -2.9716 -2.9716 -2.7910 -2.7910 -2.7676 -2.7676 -2.7415 -2.7415 -1.8564 -1.8564 -1.7968 -1.7968 -0.5875 -0.5875 -0.5794 -0.5794 -0.0410 -0.0410 -0.0057 -0.0057 0.5150 0.5150 0.5640 0.5640 0.9440 0.9440 0.9629 0.9629 1.1451 1.1451 1.1919 1.1919 8.1505 8.1505 8.1739 8.1739 9.2930 9.2930 9.2987 9.2987 9.6214 9.6214 k = 0.3115 0.3115 0.1734 ( 5182 PWs) bands (ev): -11.6914 -11.6914 -11.6913 -11.6913 -11.5112 -11.5112 -11.5091 -11.5091 -3.4455 -3.4455 -3.3739 -3.3739 -3.3570 -3.3570 -3.2132 -3.2132 -3.0865 -3.0865 -2.9719 -2.9719 -2.9710 -2.9710 -2.7974 -2.7974 -2.7712 -2.7712 -2.7503 -2.7503 -1.8221 -1.8221 -1.7668 -1.7668 -0.5772 -0.5772 -0.5706 -0.5706 -0.0385 -0.0385 -0.0036 -0.0036 0.5406 0.5406 0.5886 0.5886 0.9691 0.9691 0.9869 0.9869 1.1720 1.1720 1.2194 1.2194 8.1315 8.1315 8.1555 8.1555 9.3413 9.3413 9.3476 9.3476 9.6800 9.6800 k = 0.3033 0.3033 0.1734 ( 5178 PWs) bands (ev): -11.7076 -11.7076 -11.7074 -11.7074 -11.5138 -11.5138 -11.5117 -11.5117 -3.4514 -3.4514 -3.3783 -3.3783 -3.3645 -3.3645 -3.2185 -3.2185 -3.0880 -3.0880 -2.9706 -2.9706 -2.9672 -2.9672 -2.8040 -2.8040 -2.7748 -2.7748 -2.7597 -2.7597 -1.7874 -1.7874 -1.7365 -1.7365 -0.5649 -0.5649 -0.5597 -0.5597 -0.0344 -0.0344 -0.0002 -0.0002 0.5667 0.5667 0.6136 0.6136 0.9928 0.9928 1.0097 1.0097 1.2000 1.2000 1.2476 1.2476 8.1081 8.1081 8.1326 8.1326 9.3919 9.3919 9.3989 9.3989 9.7375 9.7375 k = 0.2951 0.2951 0.1734 ( 5184 PWs) bands (ev): -11.7240 -11.7240 -11.7238 -11.7238 -11.5165 -11.5165 -11.5144 -11.5144 -3.4570 -3.4570 -3.3827 -3.3827 -3.3718 -3.3718 -3.2239 -3.2239 -3.0896 -3.0896 -2.9705 -2.9705 -2.9628 -2.9628 -2.8107 -2.8107 -2.7782 -2.7782 -2.7694 -2.7694 -1.7526 -1.7526 -1.7060 -1.7060 -0.5506 -0.5506 -0.5469 -0.5469 -0.0289 -0.0289 0.0047 0.0047 0.5930 0.5930 0.6389 0.6389 1.0153 1.0153 1.0314 1.0314 1.2288 1.2288 1.2765 1.2765 8.0802 8.0802 8.1049 8.1049 9.4448 9.4448 9.4523 9.4523 9.7932 9.7932 k = 0.2869 0.2869 0.1734 ( 5192 PWs) bands (ev): -11.7405 -11.7405 -11.7404 -11.7404 -11.5193 -11.5193 -11.5172 -11.5172 -3.4623 -3.4623 -3.3870 -3.3870 -3.3789 -3.3789 -3.2295 -3.2295 -3.0914 -3.0914 -2.9706 -2.9706 -2.9589 -2.9589 -2.8173 -2.8173 -2.7815 -2.7815 -2.7793 -2.7793 -1.7177 -1.7177 -1.6753 -1.6753 -0.5343 -0.5343 -0.5319 -0.5319 -0.0221 -0.0221 0.0110 0.0110 0.6196 0.6196 0.6643 0.6643 1.0366 1.0366 1.0521 1.0521 1.2585 1.2585 1.3059 1.3059 8.0476 8.0476 8.0725 8.0725 9.4996 9.4996 9.5077 9.5077 9.8461 9.8461 k = 0.2787 0.2787 0.1734 ( 5200 PWs) bands (ev): -11.7573 -11.7573 -11.7571 -11.7571 -11.5222 -11.5222 -11.5200 -11.5200 -3.4672 -3.4672 -3.3912 -3.3912 -3.3859 -3.3859 -3.2352 -3.2352 -3.0936 -3.0936 -2.9711 -2.9711 -2.9556 -2.9556 -2.8237 -2.8237 -2.7894 -2.7894 -2.7845 -2.7845 -1.6828 -1.6828 -1.6445 -1.6445 -0.5159 -0.5159 -0.5148 -0.5148 -0.0139 -0.0139 0.0185 0.0185 0.6462 0.6462 0.6897 0.6897 1.0570 1.0570 1.0720 1.0720 1.2887 1.2887 1.3358 1.3358 8.0104 8.0104 8.0354 8.0354 9.5560 9.5560 9.5648 9.5648 9.8948 9.8948 k = 0.2705 0.2705 0.1734 ( 5208 PWs) bands (ev): -11.7741 -11.7741 -11.7739 -11.7739 -11.5251 -11.5251 -11.5228 -11.5228 -3.4717 -3.4717 -3.3952 -3.3952 -3.3925 -3.3925 -3.2409 -3.2409 -3.0960 -3.0960 -2.9719 -2.9719 -2.9531 -2.9531 -2.8300 -2.8300 -2.7993 -2.7993 -2.7872 -2.7872 -1.6480 -1.6480 -1.6138 -1.6138 -0.4955 -0.4955 -0.4955 -0.4955 -0.0045 -0.0045 0.0272 0.0272 0.6727 0.6727 0.7151 0.7151 1.0767 1.0767 1.0912 1.0912 1.3193 1.3193 1.3660 1.3660 7.9687 7.9687 7.9936 7.9936 9.6137 9.6137 9.6234 9.6234 9.9375 9.9375 k = 0.2623 0.2623 0.1734 ( 5218 PWs) bands (ev): -11.7910 -11.7910 -11.7908 -11.7908 -11.5280 -11.5280 -11.5258 -11.5258 -3.4759 -3.4759 -3.3990 -3.3990 -3.3990 -3.3990 -3.2467 -3.2467 -3.0989 -3.0989 -2.9731 -2.9731 -2.9517 -2.9517 -2.8361 -2.8361 -2.8088 -2.8088 -2.7894 -2.7894 -1.6135 -1.6135 -1.5832 -1.5832 -0.4742 -0.4742 -0.4731 -0.4731 0.0061 0.0061 0.0371 0.0371 0.6991 0.6991 0.7402 0.7402 1.0961 1.0961 1.1100 1.1100 1.3500 1.3500 1.3962 1.3962 7.9227 7.9227 7.9473 7.9473 9.6717 9.6717 9.6826 9.6826 9.9718 9.9718 k = 0.2541 0.2541 0.1734 ( 5214 PWs) bands (ev): -11.8079 -11.8079 -11.8077 -11.8077 -11.5309 -11.5309 -11.5287 -11.5287 -3.4798 -3.4798 -3.4052 -3.4052 -3.4027 -3.4027 -3.2525 -3.2525 -3.1021 -3.1021 -2.9746 -2.9746 -2.9516 -2.9516 -2.8424 -2.8424 -2.8170 -2.8170 -2.7912 -2.7912 -1.5794 -1.5794 -1.5527 -1.5527 -0.4507 -0.4507 -0.4486 -0.4486 0.0178 0.0178 0.0480 0.0480 0.7253 0.7253 0.7649 0.7649 1.1153 1.1153 1.1285 1.1285 1.3807 1.3807 1.4263 1.4263 7.8725 7.8725 7.8969 7.8969 9.7287 9.7287 9.7415 9.7415 9.9953 9.9953 k = 0.2459 0.2459 0.1734 ( 5212 PWs) bands (ev): -11.8248 -11.8248 -11.8246 -11.8246 -11.5339 -11.5339 -11.5317 -11.5317 -3.4834 -3.4834 -3.4111 -3.4111 -3.4062 -3.4062 -3.2583 -3.2583 -3.1057 -3.1057 -2.9765 -2.9765 -2.9530 -2.9530 -2.8495 -2.8495 -2.8233 -2.8233 -2.7924 -2.7924 -1.5456 -1.5456 -1.5226 -1.5226 -0.4251 -0.4251 -0.4222 -0.4222 0.0305 0.0305 0.0600 0.0600 0.7510 0.7510 0.7892 0.7892 1.1347 1.1347 1.1471 1.1471 1.4111 1.4111 1.4561 1.4561 7.8186 7.8186 7.8426 7.8426 9.7817 9.7817 9.7979 9.7979 10.0063 10.0063 k = 0.2377 0.2377 0.1734 ( 5216 PWs) bands (ev): -11.8416 -11.8416 -11.8414 -11.8414 -11.5369 -11.5369 -11.5347 -11.5347 -3.4867 -3.4867 -3.4167 -3.4167 -3.4094 -3.4094 -3.2641 -3.2641 -3.1097 -3.1097 -2.9789 -2.9789 -2.9560 -2.9560 -2.8578 -2.8578 -2.8271 -2.8271 -2.7932 -2.7932 -1.5125 -1.5125 -1.4928 -1.4928 -0.3976 -0.3976 -0.3939 -0.3939 0.0441 0.0441 0.0728 0.0728 0.7762 0.7762 0.8128 0.8128 1.1544 1.1544 1.1659 1.1659 1.4411 1.4411 1.4855 1.4855 7.7612 7.7612 7.7848 7.7848 9.8230 9.8230 9.8447 9.8447 10.0083 10.0083 k = 0.2295 0.2295 0.1734 ( 5208 PWs) bands (ev): -11.8583 -11.8583 -11.8581 -11.8581 -11.5399 -11.5399 -11.5377 -11.5377 -3.4898 -3.4898 -3.4221 -3.4221 -3.4124 -3.4124 -3.2699 -3.2699 -3.1139 -3.1139 -2.9816 -2.9816 -2.9605 -2.9605 -2.8672 -2.8672 -2.8284 -2.8284 -2.7934 -2.7934 -1.4799 -1.4799 -1.4635 -1.4635 -0.3682 -0.3682 -0.3638 -0.3638 0.0586 0.0586 0.0864 0.0864 0.8008 0.8008 0.8358 0.8358 1.1747 1.1747 1.1850 1.1850 1.4705 1.4705 1.5142 1.5142 7.7008 7.7008 7.7239 7.7239 9.8345 9.8345 9.8595 9.8595 10.0091 10.0091 k = 0.2213 0.2213 0.1734 ( 5214 PWs) bands (ev): -11.8748 -11.8748 -11.8746 -11.8746 -11.5429 -11.5429 -11.5407 -11.5407 -3.4926 -3.4926 -3.4273 -3.4273 -3.4152 -3.4152 -3.2756 -3.2756 -3.1185 -3.1185 -2.9847 -2.9847 -2.9664 -2.9664 -2.8771 -2.8771 -2.8280 -2.8280 -2.7931 -2.7931 -1.4481 -1.4481 -1.4347 -1.4347 -0.3369 -0.3369 -0.3320 -0.3320 0.0738 0.0738 0.1008 0.1008 0.8248 0.8248 0.8580 0.8580 1.1956 1.1956 1.2047 1.2047 1.4990 1.4990 1.5422 1.5422 7.6377 7.6377 7.6604 7.6604 9.8016 9.8016 9.8199 9.8199 10.0415 10.0415 k = 0.2131 0.2131 0.1734 ( 5218 PWs) bands (ev): -11.8911 -11.8911 -11.8909 -11.8909 -11.5459 -11.5459 -11.5437 -11.5437 -3.4953 -3.4953 -3.4322 -3.4322 -3.4178 -3.4178 -3.2813 -3.2813 -3.1233 -3.1233 -2.9881 -2.9881 -2.9735 -2.9735 -2.8872 -2.8872 -2.8262 -2.8262 -2.7924 -2.7924 -1.4170 -1.4170 -1.4065 -1.4065 -0.3040 -0.3040 -0.2985 -0.2985 0.0896 0.0896 0.1158 0.1158 0.8481 0.8481 0.8794 0.8794 1.2173 1.2173 1.2249 1.2249 1.5267 1.5267 1.5693 1.5693 7.5724 7.5724 7.5945 7.5945 9.7350 9.7350 9.7444 9.7444 10.0919 10.0919 k = 0.2049 0.2049 0.1734 ( 5216 PWs) bands (ev): -11.9071 -11.9071 -11.9069 -11.9069 -11.5488 -11.5488 -11.5467 -11.5467 -3.4977 -3.4977 -3.4369 -3.4369 -3.4200 -3.4200 -3.2870 -3.2870 -3.1283 -3.1283 -2.9917 -2.9917 -2.9816 -2.9816 -2.8974 -2.8974 -2.8235 -2.8235 -2.7912 -2.7912 -1.3868 -1.3868 -1.3789 -1.3789 -0.2695 -0.2695 -0.2637 -0.2637 0.1061 0.1061 0.1313 0.1313 0.8706 0.8706 0.9001 0.9001 1.2398 1.2398 1.2458 1.2458 1.5533 1.5533 1.5954 1.5954 7.5053 7.5053 7.5268 7.5268 9.6488 9.6488 9.6511 9.6511 10.1472 10.1472 k = 0.1967 0.1967 0.1734 ( 5218 PWs) bands (ev): -11.9229 -11.9229 -11.9227 -11.9227 -11.5518 -11.5518 -11.5497 -11.5497 -3.4999 -3.4999 -3.4414 -3.4414 -3.4220 -3.4220 -3.2925 -3.2925 -3.1334 -3.1334 -2.9957 -2.9957 -2.9905 -2.9905 -2.9074 -2.9074 -2.8200 -2.8200 -2.7896 -2.7896 -1.3575 -1.3575 -1.3519 -1.3519 -0.2336 -0.2336 -0.2274 -0.2274 0.1230 0.1230 0.1473 0.1473 0.8924 0.8924 0.9201 0.9201 1.2630 1.2630 1.2673 1.2673 1.5787 1.5787 1.6202 1.6202 7.4367 7.4367 7.4576 7.4576 9.5484 9.5484 9.5514 9.5514 10.2028 10.2028 k = 0.1885 0.1885 0.1734 ( 5214 PWs) bands (ev): -11.9383 -11.9383 -11.9382 -11.9382 -11.5547 -11.5547 -11.5526 -11.5526 -3.5019 -3.5019 -3.4457 -3.4457 -3.4237 -3.4237 -3.2981 -3.2981 -3.1385 -3.1385 -2.9999 -2.9999 -2.9997 -2.9997 -2.9173 -2.9173 -2.8160 -2.8160 -2.7877 -2.7877 -1.3291 -1.3291 -1.3258 -1.3258 -0.1964 -0.1964 -0.1900 -0.1900 0.1403 0.1403 0.1637 0.1637 0.9136 0.9136 0.9394 0.9394 1.2869 1.2869 1.2894 1.2894 1.6028 1.6028 1.6439 1.6439 7.3671 7.3671 7.3874 7.3874 9.4406 9.4406 9.4477 9.4477 10.2571 10.2571 k = 0.1803 0.1803 0.1734 ( 5210 PWs) bands (ev): -11.9534 -11.9534 -11.9532 -11.9532 -11.5575 -11.5575 -11.5555 -11.5555 -3.5038 -3.5038 -3.4498 -3.4498 -3.4252 -3.4252 -3.3035 -3.3035 -3.1437 -3.1437 -3.0098 -3.0098 -3.0039 -3.0039 -2.9268 -2.9268 -2.8117 -2.8117 -2.7855 -2.7855 -1.3018 -1.3018 -1.3004 -1.3004 -0.1583 -0.1583 -0.1517 -0.1517 0.1579 0.1579 0.1803 0.1803 0.9342 0.9342 0.9581 0.9581 1.3114 1.3114 1.3121 1.3121 1.6255 1.6255 1.6661 1.6661 7.2970 7.2970 7.3167 7.3167 9.3307 9.3307 9.3407 9.3407 10.3090 10.3092 k = 0.1721 0.1721 0.1734 ( 5224 PWs) bands (ev): -11.9681 -11.9681 -11.9679 -11.9679 -11.5603 -11.5603 -11.5584 -11.5584 -3.5056 -3.5056 -3.4538 -3.4538 -3.4264 -3.4264 -3.3090 -3.3090 -3.1488 -3.1488 -3.0200 -3.0200 -3.0082 -3.0082 -2.9361 -2.9361 -2.8073 -2.8073 -2.7832 -2.7832 -1.2759 -1.2759 -1.2756 -1.2756 -0.1192 -0.1192 -0.1125 -0.1125 0.1757 0.1757 0.1971 0.1971 0.9542 0.9542 0.9764 0.9764 1.3352 1.3352 1.3363 1.3363 1.6468 1.6468 1.6869 1.6869 7.2267 7.2267 7.2457 7.2457 9.2204 9.2204 9.2326 9.2326 10.3575 10.3575 k = 0.1639 0.1639 0.1734 ( 5226 PWs) bands (ev): -11.9823 -11.9823 -11.9821 -11.9821 -11.5631 -11.5631 -11.5612 -11.5612 -3.5072 -3.5072 -3.4576 -3.4576 -3.4273 -3.4273 -3.3144 -3.3144 -3.1538 -3.1538 -3.0303 -3.0303 -3.0124 -3.0124 -2.9451 -2.9451 -2.8027 -2.8027 -2.7806 -2.7806 -1.2523 -1.2523 -1.2504 -1.2504 -0.0796 -0.0796 -0.0727 -0.0727 0.1936 0.1936 0.2140 0.2140 0.9737 0.9737 0.9944 0.9944 1.3586 1.3586 1.3615 1.3615 1.6664 1.6664 1.7061 1.7061 7.1566 7.1566 7.1749 7.1749 9.1110 9.1110 9.1248 9.1248 10.4020 10.4020 k = 0.1557 0.1557 0.1734 ( 5220 PWs) bands (ev): -11.9960 -11.9960 -11.9959 -11.9959 -11.5657 -11.5657 -11.5639 -11.5639 -3.5087 -3.5087 -3.4612 -3.4612 -3.4279 -3.4279 -3.3197 -3.3197 -3.1585 -3.1585 -3.0407 -3.0407 -3.0167 -3.0167 -2.9538 -2.9538 -2.7982 -2.7982 -2.7780 -2.7780 -1.2296 -1.2296 -1.2264 -1.2264 -0.0395 -0.0395 -0.0326 -0.0326 0.2115 0.2115 0.2309 0.2309 0.9930 0.9930 1.0121 1.0121 1.3822 1.3822 1.3868 1.3868 1.6845 1.6845 1.7237 1.7237 7.0871 7.0871 7.1048 7.1048 9.0037 9.0037 9.0185 9.0185 10.4422 10.4422 k = 0.1475 0.1475 0.1734 ( 5228 PWs) bands (ev): -12.0093 -12.0093 -12.0092 -12.0092 -11.5683 -11.5683 -11.5666 -11.5666 -3.5100 -3.5100 -3.4647 -3.4647 -3.4283 -3.4283 -3.3249 -3.3249 -3.1632 -3.1632 -3.0510 -3.0510 -3.0209 -3.0209 -2.9622 -2.9622 -2.7937 -2.7937 -2.7753 -2.7753 -1.2079 -1.2079 -1.2036 -1.2036 0.0007 0.0007 0.0076 0.0076 0.2294 0.2294 0.2476 0.2476 1.0119 1.0119 1.0297 1.0297 1.4058 1.4058 1.4120 1.4120 1.7009 1.7009 1.7397 1.7397 7.0186 7.0186 7.0355 7.0355 8.8990 8.8990 8.9145 8.9145 10.4776 10.4776 k = 0.1393 0.1393 0.1734 ( 5220 PWs) bands (ev): -12.0220 -12.0220 -12.0219 -12.0219 -11.5708 -11.5708 -11.5691 -11.5691 -3.5111 -3.5111 -3.4680 -3.4680 -3.4284 -3.4284 -3.3300 -3.3300 -3.1675 -3.1675 -3.0612 -3.0612 -3.0249 -3.0249 -2.9702 -2.9702 -2.7893 -2.7893 -2.7726 -2.7726 -1.1872 -1.1872 -1.1819 -1.1819 0.0409 0.0409 0.0477 0.0477 0.2471 0.2471 0.2642 0.2642 1.0307 1.0307 1.0473 1.0473 1.4291 1.4291 1.4370 1.4370 1.7155 1.7155 1.7539 1.7539 6.9514 6.9514 6.9677 6.9677 8.7975 8.7975 8.8135 8.8135 10.5078 10.5078 k = 0.1311 0.1311 0.1734 ( 5220 PWs) bands (ev): -12.0342 -12.0342 -12.0341 -12.0341 -11.5732 -11.5732 -11.5716 -11.5716 -3.5122 -3.5122 -3.4713 -3.4713 -3.4283 -3.4283 -3.3351 -3.3351 -3.1715 -3.1715 -3.0712 -3.0712 -3.0288 -3.0288 -2.9779 -2.9779 -2.7850 -2.7850 -2.7699 -2.7699 -1.1675 -1.1675 -1.1615 -1.1615 0.0806 0.0806 0.0874 0.0874 0.2646 0.2646 0.2805 0.2805 1.0494 1.0494 1.0648 1.0648 1.4522 1.4522 1.4615 1.4615 1.7285 1.7285 1.7664 1.7664 6.8859 6.8859 6.9015 6.9015 8.6998 8.6998 8.7159 8.7159 10.5323 10.5323 k = 0.1230 0.1230 0.1734 ( 5224 PWs) bands (ev): -12.0457 -12.0457 -12.0456 -12.0456 -11.5755 -11.5755 -11.5740 -11.5740 -3.5131 -3.5131 -3.4744 -3.4744 -3.4280 -3.4280 -3.3402 -3.3402 -3.1752 -3.1752 -3.0810 -3.0810 -3.0324 -3.0324 -2.9852 -2.9852 -2.7809 -2.7809 -2.7672 -2.7672 -1.1489 -1.1489 -1.1424 -1.1424 0.1196 0.1196 0.1264 0.1264 0.2818 0.2818 0.2965 0.2965 1.0681 1.0681 1.0825 1.0825 1.4746 1.4746 1.4853 1.4853 1.7397 1.7397 1.7771 1.7771 6.8225 6.8225 6.8373 6.8373 8.6062 8.6062 8.6222 8.6222 10.5510 10.5511 k = 0.1148 0.1148 0.1734 ( 5224 PWs) bands (ev): -12.0567 -12.0567 -12.0566 -12.0566 -11.5777 -11.5777 -11.5763 -11.5763 -3.5139 -3.5139 -3.4775 -3.4775 -3.4275 -3.4275 -3.3451 -3.3451 -3.1786 -3.1786 -3.0905 -3.0905 -3.0359 -3.0359 -2.9922 -2.9922 -2.7769 -2.7769 -2.7647 -2.7647 -1.1313 -1.1313 -1.1245 -1.1245 0.1575 0.1575 0.1644 0.1644 0.2988 0.2988 0.3122 0.3122 1.0867 1.0867 1.1002 1.1002 1.4964 1.4964 1.5083 1.5083 1.7492 1.7492 1.7861 1.7861 6.7615 6.7615 6.7754 6.7754 8.5172 8.5172 8.5328 8.5328 10.5641 10.5641 k = 0.1066 0.1066 0.1734 ( 5216 PWs) bands (ev): -12.0670 -12.0670 -12.0669 -12.0669 -11.5798 -11.5798 -11.5784 -11.5784 -3.5145 -3.5145 -3.4804 -3.4804 -3.4267 -3.4267 -3.3499 -3.3499 -3.1815 -3.1815 -3.0997 -3.0997 -3.0391 -3.0391 -2.9988 -2.9988 -2.7732 -2.7732 -2.7622 -2.7622 -1.1148 -1.1148 -1.1078 -1.1078 0.1940 0.1940 0.2009 0.2009 0.3154 0.3154 0.3275 0.3275 1.1053 1.1053 1.1180 1.1180 1.5172 1.5172 1.5303 1.5303 1.7571 1.7571 1.7934 1.7934 6.7031 6.7031 6.7163 6.7163 8.4329 8.4329 8.4481 8.4481 10.5718 10.5724 k = 0.0984 0.0984 0.1734 ( 5216 PWs) bands (ev): -12.0766 -12.0766 -12.0765 -12.0765 -11.5817 -11.5817 -11.5804 -11.5804 -3.5150 -3.5150 -3.4832 -3.4832 -3.4257 -3.4257 -3.3546 -3.3546 -3.1840 -3.1840 -3.1085 -3.1085 -3.0420 -3.0420 -3.0051 -3.0051 -2.7697 -2.7697 -2.7599 -2.7599 -1.0995 -1.0995 -1.0925 -1.0925 0.2287 0.2287 0.2357 0.2357 0.3319 0.3319 0.3424 0.3424 1.1238 1.1238 1.1358 1.1358 1.5369 1.5369 1.5510 1.5510 1.7634 1.7634 1.7991 1.7991 6.6478 6.6478 6.6601 6.6601 8.3538 8.3538 8.3684 8.3684 10.5747 10.5752 k = 0.0902 0.0902 0.1734 ( 5210 PWs) bands (ev): -12.0855 -12.0855 -12.0855 -12.0855 -11.5835 -11.5835 -11.5823 -11.5823 -3.5153 -3.5153 -3.4859 -3.4859 -3.4246 -3.4246 -3.3593 -3.3593 -3.1862 -3.1862 -3.1169 -3.1169 -3.0447 -3.0447 -3.0110 -3.0110 -2.7664 -2.7664 -2.7577 -2.7577 -1.0853 -1.0853 -1.0784 -1.0784 0.2610 0.2610 0.2682 0.2682 0.3483 0.3483 0.3572 0.3572 1.1422 1.1422 1.1535 1.1535 1.5553 1.5553 1.5703 1.5703 1.7684 1.7684 1.8033 1.8033 6.5958 6.5958 6.6072 6.6072 8.2801 8.2801 8.2939 8.2939 10.5732 10.5745 k = 0.0820 0.0820 0.1734 ( 5220 PWs) bands (ev): -12.0938 -12.0938 -12.0937 -12.0937 -11.5852 -11.5852 -11.5841 -11.5841 -3.5155 -3.5155 -3.4886 -3.4886 -3.4233 -3.4233 -3.3638 -3.3638 -3.1879 -3.1879 -3.1250 -3.1250 -3.0470 -3.0470 -3.0166 -3.0166 -2.7633 -2.7633 -2.7556 -2.7556 -1.0723 -1.0723 -1.0656 -1.0656 0.2903 0.2903 0.2979 0.2979 0.3648 0.3648 0.3720 0.3720 1.1605 1.1605 1.1710 1.1710 1.5723 1.5723 1.5879 1.5879 1.7722 1.7722 1.8060 1.8060 6.5473 6.5473 6.5578 6.5578 8.2120 8.2120 8.2249 8.2249 10.5683 10.5687 k = 0.0738 0.0738 0.1734 ( 5212 PWs) bands (ev): -12.1013 -12.1013 -12.1012 -12.1012 -11.5867 -11.5867 -11.5857 -11.5857 -3.5155 -3.5155 -3.4911 -3.4911 -3.4217 -3.4217 -3.3681 -3.3681 -3.1892 -3.1892 -3.1326 -3.1326 -3.0490 -3.0490 -3.0217 -3.0217 -2.7606 -2.7606 -2.7538 -2.7538 -1.0604 -1.0604 -1.0540 -1.0540 0.3160 0.3160 0.3240 0.3240 0.3818 0.3818 0.3872 0.3872 1.1784 1.1784 1.1883 1.1883 1.5878 1.5878 1.6036 1.6036 1.7750 1.7750 1.8076 1.8076 6.5027 6.5027 6.5123 6.5123 8.1497 8.1497 8.1617 8.1617 10.5610 10.5633 k = 0.0656 0.0656 0.1734 ( 5208 PWs) bands (ev): -12.1080 -12.1080 -12.1080 -12.1080 -11.5881 -11.5881 -11.5872 -11.5872 -3.5154 -3.5154 -3.4935 -3.4935 -3.4201 -3.4201 -3.3724 -3.3724 -3.1900 -3.1900 -3.1397 -3.1397 -3.0507 -3.0507 -3.0265 -3.0265 -2.7580 -2.7580 -2.7522 -2.7522 -1.0497 -1.0497 -1.0438 -1.0438 0.3377 0.3377 0.3458 0.3458 0.3994 0.3994 0.4031 0.4031 1.1958 1.1958 1.2049 1.2049 1.6015 1.6015 1.6172 1.6172 1.7772 1.7772 1.8080 1.8080 6.4621 6.4621 6.4707 6.4707 8.0935 8.0935 8.1044 8.1044 10.5519 10.5525 k = 0.0574 0.0574 0.1734 ( 5212 PWs) bands (ev): -12.1140 -12.1140 -12.1140 -12.1140 -11.5893 -11.5893 -11.5885 -11.5885 -3.5151 -3.5151 -3.4959 -3.4959 -3.4182 -3.4182 -3.3765 -3.3765 -3.1904 -3.1904 -3.1464 -3.1464 -3.0520 -3.0520 -3.0309 -3.0309 -2.7557 -2.7557 -2.7507 -2.7507 -1.0402 -1.0402 -1.0349 -1.0349 0.3553 0.3553 0.3631 0.3631 0.4173 0.4173 0.4198 0.4198 1.2125 1.2125 1.2208 1.2208 1.6134 1.6134 1.6286 1.6286 1.7789 1.7789 1.8076 1.8076 6.4258 6.4258 6.4335 6.4335 8.0436 8.0436 8.0533 8.0533 10.5418 10.5423 k = 0.0492 0.0492 0.1734 ( 5200 PWs) bands (ev): -12.1192 -12.1192 -12.1192 -12.1192 -11.5903 -11.5903 -11.5897 -11.5897 -3.5147 -3.5147 -3.4981 -3.4981 -3.4162 -3.4162 -3.3804 -3.3804 -3.1903 -3.1903 -3.1526 -3.1526 -3.0530 -3.0530 -3.0350 -3.0350 -2.7537 -2.7537 -2.7495 -2.7495 -1.0319 -1.0319 -1.0272 -1.0272 0.3693 0.3693 0.3765 0.3765 0.4347 0.4347 0.4364 0.4364 1.2281 1.2281 1.2356 1.2356 1.6234 1.6234 1.6376 1.6376 1.7806 1.7806 1.8066 1.8066 6.3941 6.3941 6.4007 6.4007 8.0000 8.0000 8.0085 8.0085 10.5317 10.5318 k = 0.0410 0.0410 0.1734 ( 5200 PWs) bands (ev): -12.1237 -12.1237 -12.1236 -12.1236 -11.5912 -11.5912 -11.5907 -11.5907 -3.5141 -3.5141 -3.5002 -3.5002 -3.4141 -3.4141 -3.3842 -3.3842 -3.1898 -3.1898 -3.1584 -3.1584 -3.0536 -3.0536 -3.0386 -3.0386 -2.7519 -2.7519 -2.7485 -2.7485 -1.0248 -1.0248 -1.0207 -1.0207 0.3804 0.3804 0.3866 0.3866 0.4507 0.4507 0.4519 0.4519 1.2424 1.2424 1.2489 1.2489 1.6317 1.6317 1.6444 1.6444 1.7824 1.7824 1.8050 1.8050 6.3670 6.3670 6.3725 6.3725 7.9631 7.9631 7.9702 7.9702 10.5224 10.5238 k = 0.0328 0.0328 0.1734 ( 5204 PWs) bands (ev): -12.1273 -12.1273 -12.1273 -12.1273 -11.5919 -11.5919 -11.5915 -11.5915 -3.5134 -3.5134 -3.5022 -3.5022 -3.4118 -3.4118 -3.3879 -3.3879 -3.1888 -3.1888 -3.1637 -3.1637 -3.0539 -3.0539 -3.0419 -3.0419 -2.7504 -2.7504 -2.7477 -2.7477 -1.0189 -1.0189 -1.0156 -1.0156 0.3892 0.3892 0.3942 0.3942 0.4646 0.4646 0.4654 0.4654 1.2550 1.2550 1.2604 1.2604 1.6382 1.6382 1.6489 1.6489 1.7844 1.7844 1.8032 1.8032 6.3447 6.3447 6.3492 6.3492 7.9328 7.9328 7.9385 7.9385 10.5139 10.5146 k = 0.0246 0.0246 0.1734 ( 5208 PWs) bands (ev): -12.1302 -12.1302 -12.1301 -12.1301 -11.5925 -11.5925 -11.5922 -11.5922 -3.5125 -3.5125 -3.5041 -3.5041 -3.4093 -3.4093 -3.3914 -3.3914 -3.1873 -3.1873 -3.1685 -3.1685 -3.0537 -3.0537 -3.0447 -3.0447 -2.7492 -2.7492 -2.7472 -2.7472 -1.0142 -1.0142 -1.0117 -1.0117 0.3959 0.3959 0.3997 0.3997 0.4758 0.4758 0.4764 0.4764 1.2655 1.2655 1.2696 1.2696 1.6433 1.6433 1.6516 1.6516 1.7867 1.7867 1.8011 1.8011 6.3274 6.3274 6.3307 6.3307 7.9093 7.9093 7.9136 7.9136 10.5067 10.5076 k = 0.0164 0.0164 0.1734 ( 5210 PWs) bands (ev): -12.1322 -12.1322 -12.1322 -12.1322 -11.5929 -11.5929 -11.5926 -11.5926 -3.5114 -3.5114 -3.5058 -3.5058 -3.4067 -3.4067 -3.3948 -3.3948 -3.1854 -3.1854 -3.1729 -3.1729 -3.0532 -3.0532 -3.0472 -3.0472 -2.7482 -2.7482 -2.7469 -2.7469 -1.0107 -1.0107 -1.0090 -1.0090 0.4007 0.4007 0.4033 0.4033 0.4840 0.4840 0.4844 0.4844 1.2735 1.2735 1.2764 1.2764 1.6470 1.6470 1.6527 1.6527 1.7891 1.7891 1.7989 1.7989 6.3151 6.3151 6.3173 6.3173 7.8926 7.8926 7.8955 7.8955 10.5016 10.5021 k = 0.0082 0.0082 0.1734 ( 5220 PWs) bands (ev): -12.1334 -12.1334 -12.1334 -12.1334 -11.5931 -11.5931 -11.5930 -11.5930 -3.5103 -3.5103 -3.5075 -3.5075 -3.4040 -3.4040 -3.3980 -3.3980 -3.1830 -3.1830 -3.1767 -3.1767 -3.0523 -3.0523 -3.0493 -3.0493 -2.7475 -2.7475 -2.7469 -2.7469 -1.0085 -1.0085 -1.0076 -1.0076 0.4038 0.4038 0.4051 0.4051 0.4891 0.4891 0.4893 0.4893 1.2788 1.2788 1.2802 1.2802 1.6497 1.6497 1.6526 1.6526 1.7916 1.7916 1.7966 1.7966 6.3079 6.3079 6.3090 6.3090 7.8829 7.8829 7.8844 7.8844 10.4986 10.4987 k = 0.0000 0.0000 0.1734 ( 5220 PWs) bands (ev): -12.1338 -12.1338 -12.1338 -12.1338 -11.5931 -11.5931 -11.5931 -11.5931 -3.5089 -3.5089 -3.5089 -3.5089 -3.4011 -3.4011 -3.4011 -3.4011 -3.1801 -3.1801 -3.1801 -3.1801 -3.0510 -3.0510 -3.0510 -3.0510 -2.7471 -2.7471 -2.7471 -2.7471 -1.0074 -1.0074 -1.0074 -1.0074 0.4053 0.4053 0.4053 0.4053 0.4909 0.4909 0.4909 0.4909 1.2810 1.2810 1.2810 1.2810 1.6516 1.6516 1.6516 1.6516 1.7942 1.7942 1.7942 1.7942 6.3059 6.3059 6.3059 6.3059 7.8802 7.8802 7.8802 7.8802 10.4974 10.4974 k = 0.0000 0.5000-0.0000 ( 5184 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4635 -3.4635 -3.4635 -3.4635 -3.2391 -3.2391 -3.2391 -3.2391 -3.0372 -3.0372 -3.0372 -3.0372 -2.8190 -2.8190 -2.8190 -2.8190 -2.7029 -2.7029 -2.7029 -2.7029 -2.3790 -2.3790 -2.3790 -2.3790 -0.6475 -0.6475 -0.6475 -0.6475 0.5454 0.5454 0.5454 0.5454 0.9261 0.9261 0.9261 0.9261 1.3109 1.3109 1.3109 1.3109 1.6604 1.6604 1.6604 1.6604 7.1168 7.1168 7.1168 7.1168 10.1358 10.1358 10.1358 10.1358 10.6168 10.6168 k = 0.0000 0.5000 0.0116 ( 5184 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4634 -3.4634 -3.4634 -3.4634 -3.2390 -3.2390 -3.2390 -3.2390 -3.0372 -3.0372 -3.0372 -3.0372 -2.8190 -2.8190 -2.8190 -2.8190 -2.7030 -2.7030 -2.7030 -2.7030 -2.3787 -2.3787 -2.3787 -2.3787 -0.6487 -0.6487 -0.6487 -0.6487 0.5479 0.5479 0.5479 0.5479 0.9261 0.9261 0.9261 0.9261 1.3093 1.3093 1.3093 1.3093 1.6604 1.6604 1.6604 1.6604 7.1173 7.1173 7.1173 7.1173 10.1332 10.1332 10.1332 10.1332 10.6183 10.6183 k = 0.0000 0.5000 0.0231 ( 5182 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4634 -3.4634 -3.4634 -3.4634 -3.2390 -3.2390 -3.2390 -3.2390 -3.0374 -3.0374 -3.0374 -3.0374 -2.8192 -2.8192 -2.8192 -2.8192 -2.7032 -2.7032 -2.7032 -2.7032 -2.3775 -2.3775 -2.3775 -2.3775 -0.6522 -0.6522 -0.6522 -0.6522 0.5553 0.5553 0.5553 0.5553 0.9261 0.9261 0.9261 0.9261 1.3044 1.3044 1.3044 1.3044 1.6604 1.6604 1.6604 1.6604 7.1189 7.1189 7.1189 7.1189 10.1255 10.1255 10.1255 10.1255 10.6226 10.6226 k = 0.0000 0.5000 0.0347 ( 5188 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4634 -3.4634 -3.4634 -3.4634 -3.2389 -3.2389 -3.2389 -3.2389 -3.0376 -3.0376 -3.0376 -3.0376 -2.8194 -2.8194 -2.8194 -2.8194 -2.7036 -2.7036 -2.7036 -2.7036 -2.3757 -2.3757 -2.3757 -2.3757 -0.6578 -0.6578 -0.6578 -0.6578 0.5674 0.5674 0.5674 0.5674 0.9261 0.9261 0.9261 0.9261 1.2964 1.2964 1.2964 1.2964 1.6603 1.6603 1.6603 1.6603 7.1214 7.1214 7.1214 7.1214 10.1133 10.1133 10.1133 10.1133 10.6293 10.6293 k = 0.0000 0.5000 0.0462 ( 5192 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4634 -3.4634 -3.4634 -3.4634 -3.2389 -3.2389 -3.2389 -3.2389 -3.0380 -3.0380 -3.0380 -3.0380 -2.8198 -2.8198 -2.8198 -2.8198 -2.7040 -2.7040 -2.7040 -2.7040 -2.3733 -2.3733 -2.3733 -2.3733 -0.6652 -0.6652 -0.6652 -0.6652 0.5839 0.5839 0.5839 0.5839 0.9261 0.9261 0.9261 0.9261 1.2853 1.2853 1.2853 1.2853 1.6603 1.6603 1.6603 1.6603 7.1248 7.1248 7.1248 7.1248 10.0975 10.0975 10.0975 10.0975 10.6379 10.6379 k = 0.0000 0.5000 0.0578 ( 5184 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4634 -3.4634 -3.4634 -3.4634 -3.2387 -3.2387 -3.2387 -3.2387 -3.0384 -3.0384 -3.0384 -3.0384 -2.8202 -2.8202 -2.8202 -2.8202 -2.7045 -2.7045 -2.7045 -2.7045 -2.3704 -2.3704 -2.3704 -2.3704 -0.6740 -0.6740 -0.6740 -0.6740 0.6043 0.6043 0.6043 0.6043 0.9261 0.9261 0.9261 0.9261 1.2712 1.2712 1.2712 1.2712 1.6603 1.6603 1.6603 1.6603 7.1289 7.1289 7.1289 7.1289 10.0789 10.0789 10.0789 10.0789 10.6478 10.6478 k = 0.0000 0.5000 0.0694 ( 5184 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4634 -3.4634 -3.4634 -3.4634 -3.2386 -3.2386 -3.2386 -3.2386 -3.0388 -3.0388 -3.0388 -3.0388 -2.8206 -2.8206 -2.8206 -2.8206 -2.7051 -2.7051 -2.7051 -2.7051 -2.3671 -2.3671 -2.3671 -2.3671 -0.6838 -0.6838 -0.6838 -0.6838 0.6282 0.6282 0.6282 0.6282 0.9261 0.9261 0.9261 0.9261 1.2544 1.2544 1.2544 1.2544 1.6602 1.6602 1.6602 1.6602 7.1335 7.1335 7.1335 7.1335 10.0587 10.0587 10.0587 10.0587 10.6585 10.6585 k = 0.0000 0.5000 0.0809 ( 5192 PWs) bands (ev): -11.7199 -11.7199 -11.7199 -11.7199 -11.6162 -11.6162 -11.6162 -11.6162 -3.4634 -3.4634 -3.4634 -3.4634 -3.2385 -3.2385 -3.2385 -3.2385 -3.0393 -3.0393 -3.0393 -3.0393 -2.8212 -2.8212 -2.8212 -2.8212 -2.7057 -2.7057 -2.7057 -2.7057 -2.3636 -2.3636 -2.3636 -2.3636 -0.6941 -0.6941 -0.6941 -0.6941 0.6548 0.6548 0.6548 0.6548 0.9261 0.9261 0.9261 0.9261 1.2350 1.2350 1.2350 1.2350 1.6602 1.6602 1.6602 1.6602 7.1385 7.1385 7.1385 7.1385 10.0377 10.0377 10.0377 10.0377 10.6696 10.6696 k = 0.0000 0.5000 0.0925 ( 5184 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6162 -11.6162 -11.6162 -11.6162 -3.4633 -3.4633 -3.4633 -3.4633 -3.2384 -3.2384 -3.2384 -3.2384 -3.0398 -3.0398 -3.0398 -3.0398 -2.8217 -2.8217 -2.8217 -2.8217 -2.7063 -2.7063 -2.7063 -2.7063 -2.3600 -2.3600 -2.3600 -2.3600 -0.7044 -0.7044 -0.7044 -0.7044 0.6837 0.6837 0.6837 0.6837 0.9262 0.9262 0.9262 0.9262 1.2135 1.2135 1.2135 1.2135 1.6601 1.6601 1.6601 1.6601 7.1437 7.1437 7.1437 7.1437 10.0170 10.0170 10.0170 10.0170 10.6804 10.6804 k = 0.0000 0.5000 0.1040 ( 5192 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4633 -3.4633 -3.4633 -3.4633 -3.2383 -3.2383 -3.2383 -3.2383 -3.0404 -3.0404 -3.0404 -3.0404 -2.8221 -2.8221 -2.8221 -2.8221 -2.7069 -2.7069 -2.7069 -2.7069 -2.3565 -2.3565 -2.3565 -2.3565 -0.7143 -0.7143 -0.7143 -0.7143 0.7139 0.7139 0.7139 0.7139 0.9262 0.9262 0.9262 0.9262 1.1901 1.1901 1.1901 1.1901 1.6601 1.6601 1.6601 1.6601 7.1487 7.1487 7.1487 7.1487 9.9973 9.9973 9.9973 9.9973 10.6907 10.6907 k = 0.0000 0.5000 0.1156 ( 5190 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4633 -3.4633 -3.4633 -3.4633 -3.2381 -3.2381 -3.2381 -3.2381 -3.0408 -3.0408 -3.0408 -3.0408 -2.8226 -2.8226 -2.8226 -2.8226 -2.7075 -2.7075 -2.7075 -2.7075 -2.3532 -2.3532 -2.3532 -2.3532 -0.7235 -0.7235 -0.7235 -0.7235 0.7448 0.7448 0.7448 0.7448 0.9263 0.9263 0.9263 0.9263 1.1655 1.1655 1.1655 1.1655 1.6600 1.6600 1.6600 1.6600 7.1535 7.1535 7.1535 7.1535 9.9793 9.9793 9.9793 9.9793 10.7000 10.7000 k = 0.0000 0.5000 0.1271 ( 5190 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4633 -3.4633 -3.4633 -3.4633 -3.2380 -3.2380 -3.2380 -3.2380 -3.0412 -3.0412 -3.0412 -3.0412 -2.8230 -2.8230 -2.8230 -2.8230 -2.7079 -2.7079 -2.7079 -2.7079 -2.3504 -2.3504 -2.3504 -2.3504 -0.7315 -0.7315 -0.7315 -0.7315 0.7752 0.7752 0.7752 0.7752 0.9264 0.9264 0.9264 0.9264 1.1405 1.1405 1.1405 1.1405 1.6600 1.6600 1.6600 1.6600 7.1577 7.1577 7.1577 7.1577 9.9637 9.9637 9.9637 9.9637 10.7081 10.7081 k = 0.0000 0.5000 0.1387 ( 5202 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4633 -3.4633 -3.4633 -3.4633 -3.2380 -3.2380 -3.2380 -3.2380 -3.0416 -3.0416 -3.0416 -3.0416 -2.8233 -2.8233 -2.8233 -2.8233 -2.7083 -2.7083 -2.7083 -2.7083 -2.3480 -2.3480 -2.3480 -2.3480 -0.7380 -0.7380 -0.7380 -0.7380 0.8037 0.8037 0.8037 0.8037 0.9265 0.9265 0.9265 0.9265 1.1163 1.1163 1.1163 1.1163 1.6600 1.6600 1.6600 1.6600 7.1612 7.1612 7.1612 7.1612 9.9511 9.9511 9.9511 9.9511 10.7148 10.7148 k = 0.0000 0.5000 0.1503 ( 5194 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4633 -3.4633 -3.4633 -3.4633 -3.2379 -3.2379 -3.2379 -3.2379 -3.0418 -3.0418 -3.0418 -3.0418 -2.8236 -2.8236 -2.8236 -2.8236 -2.7085 -2.7085 -2.7085 -2.7085 -2.3462 -2.3462 -2.3462 -2.3462 -0.7429 -0.7429 -0.7429 -0.7429 0.8281 0.8281 0.8281 0.8281 0.9267 0.9267 0.9267 0.9267 1.0950 1.0950 1.0950 1.0950 1.6599 1.6599 1.6599 1.6599 7.1639 7.1639 7.1639 7.1639 9.9417 9.9417 9.9417 9.9417 10.7197 10.7197 k = 0.0000 0.5000 0.1618 ( 5182 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4632 -3.4632 -3.4632 -3.4632 -3.2378 -3.2378 -3.2378 -3.2378 -3.0420 -3.0420 -3.0420 -3.0420 -2.8237 -2.8237 -2.8237 -2.8237 -2.7087 -2.7087 -2.7087 -2.7087 -2.3451 -2.3451 -2.3451 -2.3451 -0.7458 -0.7458 -0.7458 -0.7458 0.8452 0.8452 0.8452 0.8452 0.9270 0.9270 0.9270 0.9270 1.0797 1.0797 1.0797 1.0797 1.6599 1.6599 1.6599 1.6599 7.1655 7.1655 7.1655 7.1655 9.9360 9.9360 9.9360 9.9360 10.7227 10.7227 k = 0.0000 0.5000 0.1734 ( 5176 PWs) bands (ev): -11.7198 -11.7198 -11.7198 -11.7198 -11.6163 -11.6163 -11.6163 -11.6163 -3.4632 -3.4632 -3.4632 -3.4632 -3.2378 -3.2378 -3.2378 -3.2378 -3.0420 -3.0420 -3.0420 -3.0420 -2.8237 -2.8237 -2.8237 -2.8237 -2.7087 -2.7087 -2.7087 -2.7087 -2.3447 -2.3447 -2.3447 -2.3447 -0.7469 -0.7469 -0.7469 -0.7469 0.8515 0.8515 0.8515 0.8515 0.9271 0.9271 0.9271 0.9271 1.0740 1.0740 1.0740 1.0740 1.6599 1.6599 1.6599 1.6599 7.1660 7.1660 7.1660 7.1660 9.9341 9.9341 9.9341 9.9341 10.7237 10.7237 k = 0.5000 0.5000-0.0000 ( 5164 PWs) bands (ev): -11.4797 -11.4797 -11.4797 -11.4797 -11.4759 -11.4759 -11.4759 -11.4759 -3.2972 -3.2972 -3.2972 -3.2972 -3.2245 -3.2245 -3.2245 -3.2245 -3.0249 -3.0249 -3.0249 -3.0249 -2.8587 -2.8587 -2.8587 -2.8587 -2.7183 -2.7183 -2.7183 -2.7183 -2.2331 -2.2331 -2.2331 -2.2331 -0.5486 -0.5486 -0.5486 -0.5486 0.1352 0.1352 0.1352 0.1352 0.3153 0.3153 0.3153 0.3153 0.3818 0.3818 0.3818 0.3818 0.7924 0.7924 0.7924 0.7924 8.1821 8.1821 8.1821 8.1821 8.1988 8.1988 8.1988 8.1988 9.4668 9.4668 k = 0.5000 0.5000 0.0116 ( 5180 PWs) bands (ev): -11.4797 -11.4797 -11.4797 -11.4797 -11.4759 -11.4759 -11.4759 -11.4759 -3.2972 -3.2972 -3.2972 -3.2972 -3.2245 -3.2245 -3.2245 -3.2245 -3.0250 -3.0250 -3.0250 -3.0250 -2.8588 -2.8588 -2.8588 -2.8588 -2.7184 -2.7184 -2.7184 -2.7184 -2.2331 -2.2331 -2.2331 -2.2331 -0.5487 -0.5487 -0.5487 -0.5487 0.1357 0.1357 0.1357 0.1357 0.3149 0.3149 0.3149 0.3149 0.3823 0.3823 0.3823 0.3823 0.7919 0.7919 0.7919 0.7919 8.1826 8.1826 8.1826 8.1826 8.2015 8.2015 8.2015 8.2015 9.4619 9.4619 k = 0.5000 0.5000 0.0231 ( 5180 PWs) bands (ev): -11.4797 -11.4797 -11.4797 -11.4797 -11.4759 -11.4759 -11.4759 -11.4759 -3.2972 -3.2972 -3.2972 -3.2972 -3.2246 -3.2246 -3.2246 -3.2246 -3.0250 -3.0250 -3.0250 -3.0250 -2.8587 -2.8587 -2.8587 -2.8587 -2.7184 -2.7184 -2.7184 -2.7184 -2.2332 -2.2332 -2.2332 -2.2332 -0.5489 -0.5489 -0.5489 -0.5489 0.1371 0.1371 0.1371 0.1371 0.3135 0.3135 0.3135 0.3135 0.3836 0.3836 0.3836 0.3836 0.7904 0.7904 0.7904 0.7904 8.1841 8.1841 8.1841 8.1841 8.2095 8.2095 8.2095 8.2095 9.4473 9.4473 k = 0.5000 0.5000 0.0347 ( 5188 PWs) bands (ev): -11.4796 -11.4796 -11.4796 -11.4796 -11.4759 -11.4759 -11.4759 -11.4759 -3.2970 -3.2970 -3.2970 -3.2970 -3.2247 -3.2247 -3.2247 -3.2247 -3.0250 -3.0250 -3.0250 -3.0250 -2.8587 -2.8587 -2.8587 -2.8587 -2.7186 -2.7186 -2.7186 -2.7186 -2.2332 -2.2332 -2.2332 -2.2332 -0.5492 -0.5492 -0.5492 -0.5492 0.1395 0.1395 0.1395 0.1395 0.3112 0.3112 0.3112 0.3112 0.3859 0.3859 0.3859 0.3859 0.7881 0.7881 0.7881 0.7881 8.1864 8.1864 8.1864 8.1864 8.2228 8.2228 8.2228 8.2228 9.4235 9.4235 k = 0.5000 0.5000 0.0462 ( 5200 PWs) bands (ev): -11.4796 -11.4796 -11.4796 -11.4796 -11.4760 -11.4760 -11.4760 -11.4760 -3.2968 -3.2968 -3.2968 -3.2968 -3.2248 -3.2248 -3.2248 -3.2248 -3.0251 -3.0251 -3.0251 -3.0251 -2.8587 -2.8587 -2.8587 -2.8587 -2.7187 -2.7187 -2.7187 -2.7187 -2.2333 -2.2333 -2.2333 -2.2333 -0.5495 -0.5495 -0.5495 -0.5495 0.1428 0.1428 0.1428 0.1428 0.3080 0.3080 0.3080 0.3080 0.3889 0.3889 0.3889 0.3889 0.7849 0.7849 0.7849 0.7849 8.1894 8.1894 8.1894 8.1894 8.2413 8.2413 8.2413 8.2413 9.3911 9.3911 k = 0.5000 0.5000 0.0578 ( 5208 PWs) bands (ev): -11.4796 -11.4796 -11.4796 -11.4796 -11.4761 -11.4761 -11.4761 -11.4761 -3.2966 -3.2966 -3.2966 -3.2966 -3.2250 -3.2250 -3.2250 -3.2250 -3.0251 -3.0251 -3.0251 -3.0251 -2.8587 -2.8587 -2.8587 -2.8587 -2.7189 -2.7189 -2.7189 -2.7189 -2.2334 -2.2334 -2.2334 -2.2334 -0.5500 -0.5500 -0.5500 -0.5500 0.1470 0.1470 0.1470 0.1470 0.3039 0.3039 0.3039 0.3039 0.3928 0.3928 0.3928 0.3928 0.7809 0.7809 0.7809 0.7809 8.1931 8.1931 8.1931 8.1931 8.2650 8.2650 8.2650 8.2650 9.3509 9.3509 k = 0.5000 0.5000 0.0694 ( 5200 PWs) bands (ev): -11.4795 -11.4795 -11.4795 -11.4795 -11.4761 -11.4761 -11.4761 -11.4761 -3.2963 -3.2963 -3.2963 -3.2963 -3.2252 -3.2252 -3.2252 -3.2252 -3.0251 -3.0251 -3.0251 -3.0251 -2.8586 -2.8586 -2.8586 -2.8586 -2.7191 -2.7191 -2.7191 -2.7191 -2.2335 -2.2335 -2.2335 -2.2335 -0.5505 -0.5505 -0.5505 -0.5505 0.1520 0.1520 0.1520 0.1520 0.2989 0.2989 0.2989 0.2989 0.3973 0.3973 0.3973 0.3973 0.7764 0.7764 0.7764 0.7764 8.1973 8.1973 8.1973 8.1973 8.2938 8.2938 8.2938 8.2938 9.3040 9.3040 k = 0.5000 0.5000 0.0809 ( 5196 PWs) bands (ev): -11.4794 -11.4794 -11.4794 -11.4794 -11.4762 -11.4762 -11.4762 -11.4762 -3.2960 -3.2960 -3.2960 -3.2960 -3.2254 -3.2254 -3.2254 -3.2254 -3.0252 -3.0252 -3.0252 -3.0252 -2.8585 -2.8585 -2.8585 -2.8585 -2.7193 -2.7193 -2.7193 -2.7193 -2.2336 -2.2336 -2.2336 -2.2336 -0.5510 -0.5510 -0.5510 -0.5510 0.1579 0.1579 0.1579 0.1579 0.2930 0.2930 0.2930 0.2930 0.4023 0.4023 0.4023 0.4023 0.7714 0.7714 0.7714 0.7714 8.2018 8.2018 8.2018 8.2018 8.3273 8.3273 8.3273 8.3273 9.2513 9.2513 k = 0.5000 0.5000 0.0925 ( 5180 PWs) bands (ev): -11.4793 -11.4793 -11.4793 -11.4793 -11.4762 -11.4762 -11.4762 -11.4762 -3.2957 -3.2957 -3.2957 -3.2957 -3.2256 -3.2256 -3.2256 -3.2256 -3.0252 -3.0252 -3.0252 -3.0252 -2.8584 -2.8584 -2.8584 -2.8584 -2.7194 -2.7194 -2.7194 -2.7194 -2.2337 -2.2337 -2.2337 -2.2337 -0.5515 -0.5515 -0.5515 -0.5515 0.1644 0.1644 0.1644 0.1644 0.2863 0.2863 0.2863 0.2863 0.4076 0.4076 0.4076 0.4076 0.7662 0.7662 0.7662 0.7662 8.2064 8.2064 8.2064 8.2064 8.3655 8.3655 8.3655 8.3655 9.1940 9.1940 k = 0.5000 0.5000 0.1040 ( 5176 PWs) bands (ev): -11.4793 -11.4793 -11.4793 -11.4793 -11.4763 -11.4763 -11.4763 -11.4763 -3.2954 -3.2954 -3.2954 -3.2954 -3.2257 -3.2257 -3.2257 -3.2257 -3.0252 -3.0252 -3.0252 -3.0252 -2.8583 -2.8583 -2.8583 -2.8583 -2.7196 -2.7196 -2.7196 -2.7196 -2.2337 -2.2337 -2.2337 -2.2337 -0.5521 -0.5521 -0.5521 -0.5521 0.1717 0.1717 0.1717 0.1717 0.2790 0.2790 0.2790 0.2790 0.4129 0.4129 0.4129 0.4129 0.7609 0.7609 0.7609 0.7609 8.2110 8.2110 8.2110 8.2110 8.4082 8.4082 8.4082 8.4082 9.1330 9.1330 k = 0.5000 0.5000 0.1156 ( 5172 PWs) bands (ev): -11.4792 -11.4792 -11.4792 -11.4792 -11.4764 -11.4764 -11.4764 -11.4764 -3.2950 -3.2950 -3.2950 -3.2950 -3.2259 -3.2259 -3.2259 -3.2259 -3.0253 -3.0253 -3.0253 -3.0253 -2.8583 -2.8583 -2.8583 -2.8583 -2.7198 -2.7198 -2.7198 -2.7198 -2.2338 -2.2338 -2.2338 -2.2338 -0.5525 -0.5525 -0.5525 -0.5525 0.1795 0.1795 0.1795 0.1795 0.2710 0.2710 0.2710 0.2710 0.4181 0.4181 0.4181 0.4181 0.7558 0.7558 0.7558 0.7558 8.2152 8.2152 8.2152 8.2152 8.4550 8.4550 8.4550 8.4550 9.0694 9.0694 k = 0.5000 0.5000 0.1271 ( 5172 PWs) bands (ev): -11.4791 -11.4791 -11.4791 -11.4791 -11.4764 -11.4764 -11.4764 -11.4764 -3.2948 -3.2948 -3.2948 -3.2948 -3.2261 -3.2261 -3.2261 -3.2261 -3.0253 -3.0253 -3.0253 -3.0253 -2.8582 -2.8582 -2.8582 -2.8582 -2.7199 -2.7199 -2.7199 -2.7199 -2.2339 -2.2339 -2.2339 -2.2339 -0.5530 -0.5530 -0.5530 -0.5530 0.1878 0.1878 0.1878 0.1878 0.2626 0.2626 0.2626 0.2626 0.4229 0.4229 0.4229 0.4229 0.7512 0.7512 0.7512 0.7512 8.2190 8.2190 8.2190 8.2190 8.5057 8.5057 8.5057 8.5057 9.0041 9.0041 k = 0.5000 0.5000 0.1387 ( 5164 PWs) bands (ev): -11.4791 -11.4791 -11.4791 -11.4791 -11.4765 -11.4765 -11.4765 -11.4765 -3.2945 -3.2945 -3.2945 -3.2945 -3.2262 -3.2262 -3.2262 -3.2262 -3.0253 -3.0253 -3.0253 -3.0253 -2.8582 -2.8582 -2.8582 -2.8582 -2.7201 -2.7201 -2.7201 -2.7201 -2.2340 -2.2340 -2.2340 -2.2340 -0.5533 -0.5533 -0.5533 -0.5533 0.1964 0.1964 0.1964 0.1964 0.2538 0.2538 0.2538 0.2538 0.4269 0.4269 0.4269 0.4269 0.7472 0.7472 0.7472 0.7472 8.2222 8.2222 8.2222 8.2222 8.5600 8.5600 8.5600 8.5600 8.9379 8.9379 k = 0.5000 0.5000 0.1503 ( 5152 PWs) bands (ev): -11.4790 -11.4790 -11.4790 -11.4790 -11.4765 -11.4765 -11.4765 -11.4765 -3.2944 -3.2944 -3.2944 -3.2944 -3.2263 -3.2263 -3.2263 -3.2263 -3.0253 -3.0253 -3.0253 -3.0253 -2.8581 -2.8581 -2.8581 -2.8581 -2.7201 -2.7201 -2.7201 -2.7201 -2.2340 -2.2340 -2.2340 -2.2340 -0.5536 -0.5536 -0.5536 -0.5536 0.2053 0.2053 0.2053 0.2053 0.2448 0.2448 0.2448 0.2448 0.4300 0.4300 0.4300 0.4300 0.7442 0.7442 0.7442 0.7442 8.2245 8.2245 8.2245 8.2245 8.6173 8.6173 8.6173 8.6173 8.8718 8.8718 k = 0.5000 0.5000 0.1618 ( 5152 PWs) bands (ev): -11.4790 -11.4790 -11.4790 -11.4790 -11.4766 -11.4766 -11.4766 -11.4766 -3.2943 -3.2943 -3.2943 -3.2943 -3.2264 -3.2264 -3.2264 -3.2264 -3.0253 -3.0253 -3.0253 -3.0253 -2.8581 -2.8581 -2.8581 -2.8581 -2.7202 -2.7202 -2.7202 -2.7202 -2.2340 -2.2340 -2.2340 -2.2340 -0.5538 -0.5538 -0.5538 -0.5538 0.2139 0.2139 0.2139 0.2139 0.2361 0.2361 0.2361 0.2361 0.4320 0.4320 0.4320 0.4320 0.7423 0.7423 0.7423 0.7423 8.2260 8.2260 8.2260 8.2260 8.6771 8.6771 8.6771 8.6771 8.8067 8.8067 k = 0.5000 0.5000 0.1734 ( 5152 PWs) bands (ev): -11.4790 -11.4790 -11.4790 -11.4790 -11.4766 -11.4766 -11.4766 -11.4766 -3.2943 -3.2943 -3.2943 -3.2943 -3.2264 -3.2264 -3.2264 -3.2264 -3.0254 -3.0254 -3.0254 -3.0254 -2.8580 -2.8580 -2.8580 -2.8580 -2.7202 -2.7202 -2.7202 -2.7202 -2.2340 -2.2340 -2.2340 -2.2340 -0.5538 -0.5538 -0.5538 -0.5538 0.2192 0.2192 0.2192 0.2192 0.2308 0.2308 0.2308 0.2308 0.4326 0.4326 0.4326 0.4326 0.7417 0.7417 0.7417 0.7417 8.2265 8.2265 8.2265 8.2265 8.7284 8.7284 8.7284 8.7284 8.7535 8.7535 Writing output data file ZnCl2.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 230.23s CPU 234.79s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 230.22s CPU 234.78s 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 : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 348 calls) cegterg : 214.74s CPU 217.79s WALL ( 629 calls) Called by sum_band: Called by *egterg: h_psi : 101.20s CPU 103.40s WALL ( 10141 calls) s_psi : 11.13s CPU 11.06s WALL ( 10141 calls) g_psi : 0.42s CPU 0.36s WALL ( 9164 calls) cdiaghg : 84.52s CPU 85.34s WALL ( 9512 calls) cegterg:over : 10.48s CPU 10.82s WALL ( 9164 calls) cegterg:upda : 9.79s CPU 9.81s WALL ( 9164 calls) cegterg:last : 4.15s CPU 4.31s WALL ( 1325 calls) cdiaghg:chol : 4.91s CPU 4.89s WALL ( 9512 calls) cdiaghg:inve : 3.43s CPU 3.43s WALL ( 9512 calls) cdiaghg:para : 5.42s CPU 5.51s WALL ( 19024 calls) Called by h_psi: h_psi:vloc : 77.34s CPU 79.18s WALL ( 10141 calls) h_psi:vnl : 23.50s CPU 23.83s WALL ( 10141 calls) add_vuspsi : 12.87s CPU 13.09s WALL ( 10141 calls) General routines calbec : 10.56s CPU 10.71s WALL ( 10141 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 71.70s CPU 73.71s WALL ( 1029020 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.32s CPU 0.32s WALL ( 696 calls) Parallel routines fft_scatter : 34.65s CPU 35.88s WALL ( 1029043 calls) PWSCF : 4m12.92s CPU 4m39.80s WALL This run was terminated on: 17: 3:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=