Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:25:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CsAgC2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 34 9 2195 2118 307 Max 36 35 10 2206 2135 318 Sum 2561 2501 697 158333 153071 22401 bravais-lattice index = 14 lattice parameter (alat) = 9.9148 a.u. unit-cell volume = 1584.2225 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.914825 celldm(2)= 1.000000 celldm(3)= 1.625403 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 1.625403 ) 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 0.615232 ) PseudoPot. # 1 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Ag 11.00 107.86820 Ag( 1.00) C 4.00 12.01070 C( 1.00) Cs 9.00 132.90550 Cs( 1.00) 16 Sym. Ops., with inversion, found ( 8 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 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 ) ( 0.8127013 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8127013 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8127013 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8127013 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0.8127013 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8127013 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8127013 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8127013 ) 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= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0036765 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0036765 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0036765 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0036765 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0036765 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0036765 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036765 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0036765 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0036765 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036765 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0036765 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0036765 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036765 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036765 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0036765 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0036765 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 64) = ( 0.4883721 0.4883721 -0.0000000), wk = 0.0036765 k( 65) = ( 0.4767442 0.4767442 -0.0000000), wk = 0.0036765 k( 66) = ( 0.4651163 0.4651163 -0.0000000), wk = 0.0036765 k( 67) = ( 0.4534884 0.4534884 -0.0000000), wk = 0.0036765 k( 68) = ( 0.4418605 0.4418605 -0.0000000), wk = 0.0036765 k( 69) = ( 0.4302326 0.4302326 -0.0000000), wk = 0.0036765 k( 70) = ( 0.4186047 0.4186046 -0.0000000), wk = 0.0036765 k( 71) = ( 0.4069767 0.4069767 -0.0000000), wk = 0.0036765 k( 72) = ( 0.3953488 0.3953488 -0.0000000), wk = 0.0036765 k( 73) = ( 0.3837209 0.3837209 -0.0000000), wk = 0.0036765 k( 74) = ( 0.3720930 0.3720930 -0.0000000), wk = 0.0036765 k( 75) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0036765 k( 76) = ( 0.3488372 0.3488372 -0.0000000), wk = 0.0036765 k( 77) = ( 0.3372093 0.3372093 -0.0000000), wk = 0.0036765 k( 78) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0036765 k( 79) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0036765 k( 80) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0036765 k( 81) = ( 0.2906977 0.2906977 -0.0000000), wk = 0.0036765 k( 82) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0036765 k( 83) = ( 0.2674419 0.2674419 -0.0000000), wk = 0.0036765 k( 84) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0036765 k( 85) = ( 0.2441860 0.2441860 -0.0000000), wk = 0.0036765 k( 86) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0036765 k( 87) = ( 0.2209302 0.2209302 -0.0000000), wk = 0.0036765 k( 88) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0036765 k( 89) = ( 0.1976744 0.1976744 -0.0000000), wk = 0.0036765 k( 90) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0036765 k( 91) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0036765 k( 92) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0036765 k( 93) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0036765 k( 94) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0036765 k( 95) = ( 0.1279070 0.1279070 -0.0000000), wk = 0.0036765 k( 96) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0036765 k( 97) = ( 0.1046512 0.1046512 -0.0000000), wk = 0.0036765 k( 98) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0036765 k( 99) = ( 0.0813954 0.0813953 -0.0000000), wk = 0.0036765 k( 100) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0036765 k( 101) = ( 0.0581395 0.0581395 -0.0000000), wk = 0.0036765 k( 102) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0036765 k( 103) = ( 0.0348837 0.0348837 -0.0000000), wk = 0.0036765 k( 104) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0036765 k( 105) = ( 0.0116279 0.0116279 -0.0000000), wk = 0.0036765 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 108) = ( 0.0000000 0.0000000 0.0161903), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0323806), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0485710), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0647613), wk = 0.0036765 k( 112) = ( 0.0000000 0.0000000 0.0809516), wk = 0.0036765 k( 113) = ( 0.0000000 0.0000000 0.0971419), wk = 0.0036765 k( 114) = ( 0.0000000 0.0000000 0.1133322), wk = 0.0036765 k( 115) = ( 0.0000000 0.0000000 0.1295226), wk = 0.0036765 k( 116) = ( 0.0000000 0.0000000 0.1457129), wk = 0.0036765 k( 117) = ( 0.0000000 0.0000000 0.1619032), wk = 0.0036765 k( 118) = ( 0.0000000 0.0000000 0.1780935), wk = 0.0036765 k( 119) = ( 0.0000000 0.0000000 0.1942838), wk = 0.0036765 k( 120) = ( 0.0000000 0.0000000 0.2104742), wk = 0.0036765 k( 121) = ( 0.0000000 0.0000000 0.2266645), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.2428548), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.2590451), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.2752354), wk = 0.0036765 k( 125) = ( 0.0000000 0.0000000 0.2914258), wk = 0.0036765 k( 126) = ( 0.0000000 0.0000000 0.3076161), wk = 0.0036765 k( 127) = ( 0.0000000 0.0000000 0.3076161), wk = 0.0036765 k( 128) = ( 0.0000000 0.0166667 0.3076161), wk = 0.0036765 k( 129) = ( 0.0000000 0.0333333 0.3076161), wk = 0.0036765 k( 130) = ( 0.0000000 0.0500000 0.3076161), wk = 0.0036765 k( 131) = ( 0.0000000 0.0666667 0.3076161), wk = 0.0036765 k( 132) = ( 0.0000000 0.0833333 0.3076161), wk = 0.0036765 k( 133) = ( 0.0000000 0.1000000 0.3076161), wk = 0.0036765 k( 134) = ( 0.0000000 0.1166667 0.3076161), wk = 0.0036765 k( 135) = ( 0.0000000 0.1333333 0.3076161), wk = 0.0036765 k( 136) = ( 0.0000000 0.1500000 0.3076161), wk = 0.0036765 k( 137) = ( 0.0000000 0.1666667 0.3076161), wk = 0.0036765 k( 138) = ( 0.0000000 0.1833333 0.3076161), wk = 0.0036765 k( 139) = ( 0.0000000 0.2000000 0.3076161), wk = 0.0036765 k( 140) = ( 0.0000000 0.2166667 0.3076161), wk = 0.0036765 k( 141) = ( 0.0000000 0.2333333 0.3076161), wk = 0.0036765 k( 142) = ( 0.0000000 0.2500000 0.3076161), wk = 0.0036765 k( 143) = ( 0.0000000 0.2666667 0.3076161), wk = 0.0036765 k( 144) = ( 0.0000000 0.2833333 0.3076161), wk = 0.0036765 k( 145) = ( 0.0000000 0.3000000 0.3076161), wk = 0.0036765 k( 146) = ( 0.0000000 0.3166667 0.3076161), wk = 0.0036765 k( 147) = ( 0.0000000 0.3333333 0.3076161), wk = 0.0036765 k( 148) = ( 0.0000000 0.3500000 0.3076161), wk = 0.0036765 k( 149) = ( 0.0000000 0.3666667 0.3076161), wk = 0.0036765 k( 150) = ( 0.0000000 0.3833333 0.3076161), wk = 0.0036765 k( 151) = ( 0.0000000 0.4000000 0.3076161), wk = 0.0036765 k( 152) = ( 0.0000000 0.4166667 0.3076161), wk = 0.0036765 k( 153) = ( 0.0000000 0.4333333 0.3076161), wk = 0.0036765 k( 154) = ( 0.0000000 0.4500000 0.3076161), wk = 0.0036765 k( 155) = ( 0.0000000 0.4666667 0.3076161), wk = 0.0036765 k( 156) = ( 0.0000000 0.4833333 0.3076161), wk = 0.0036765 k( 157) = ( 0.0000000 0.5000000 0.3076161), wk = 0.0036765 k( 158) = ( 0.0000000 0.5000000 0.3076161), wk = 0.0036765 k( 159) = ( 0.0166667 0.5000000 0.3076161), wk = 0.0036765 k( 160) = ( 0.0333333 0.5000000 0.3076161), wk = 0.0036765 k( 161) = ( 0.0500000 0.5000000 0.3076161), wk = 0.0036765 k( 162) = ( 0.0666667 0.5000000 0.3076161), wk = 0.0036765 k( 163) = ( 0.0833333 0.5000000 0.3076161), wk = 0.0036765 k( 164) = ( 0.1000000 0.5000000 0.3076161), wk = 0.0036765 k( 165) = ( 0.1166667 0.5000000 0.3076161), wk = 0.0036765 k( 166) = ( 0.1333333 0.5000000 0.3076161), wk = 0.0036765 k( 167) = ( 0.1500000 0.5000000 0.3076161), wk = 0.0036765 k( 168) = ( 0.1666667 0.5000000 0.3076161), wk = 0.0036765 k( 169) = ( 0.1833333 0.5000000 0.3076161), wk = 0.0036765 k( 170) = ( 0.2000000 0.5000000 0.3076161), wk = 0.0036765 k( 171) = ( 0.2166667 0.5000000 0.3076161), wk = 0.0036765 k( 172) = ( 0.2333333 0.5000000 0.3076161), wk = 0.0036765 k( 173) = ( 0.2500000 0.5000000 0.3076161), wk = 0.0036765 k( 174) = ( 0.2666667 0.5000000 0.3076161), wk = 0.0036765 k( 175) = ( 0.2833333 0.5000000 0.3076161), wk = 0.0036765 k( 176) = ( 0.3000000 0.5000000 0.3076161), wk = 0.0036765 k( 177) = ( 0.3166667 0.5000000 0.3076161), wk = 0.0036765 k( 178) = ( 0.3333333 0.5000000 0.3076161), wk = 0.0036765 k( 179) = ( 0.3500000 0.5000000 0.3076161), wk = 0.0036765 k( 180) = ( 0.3666667 0.5000000 0.3076161), wk = 0.0036765 k( 181) = ( 0.3833333 0.5000000 0.3076161), wk = 0.0036765 k( 182) = ( 0.4000000 0.5000000 0.3076161), wk = 0.0036765 k( 183) = ( 0.4166667 0.5000000 0.3076161), wk = 0.0036765 k( 184) = ( 0.4333333 0.5000000 0.3076161), wk = 0.0036765 k( 185) = ( 0.4500000 0.5000000 0.3076161), wk = 0.0036765 k( 186) = ( 0.4666667 0.5000000 0.3076161), wk = 0.0036765 k( 187) = ( 0.4833333 0.5000000 0.3076161), wk = 0.0036765 k( 188) = ( 0.5000000 0.5000000 0.3076161), wk = 0.0036765 k( 189) = ( 0.5000000 0.5000000 0.3076161), wk = 0.0036765 k( 190) = ( 0.4883721 0.4883721 0.3076161), wk = 0.0036765 k( 191) = ( 0.4767442 0.4767442 0.3076161), wk = 0.0036765 k( 192) = ( 0.4651163 0.4651163 0.3076161), wk = 0.0036765 k( 193) = ( 0.4534884 0.4534884 0.3076161), wk = 0.0036765 k( 194) = ( 0.4418605 0.4418605 0.3076161), wk = 0.0036765 k( 195) = ( 0.4302326 0.4302326 0.3076161), wk = 0.0036765 k( 196) = ( 0.4186047 0.4186046 0.3076161), wk = 0.0036765 k( 197) = ( 0.4069767 0.4069767 0.3076161), wk = 0.0036765 k( 198) = ( 0.3953488 0.3953488 0.3076161), wk = 0.0036765 k( 199) = ( 0.3837209 0.3837209 0.3076161), wk = 0.0036765 k( 200) = ( 0.3720930 0.3720930 0.3076161), wk = 0.0036765 k( 201) = ( 0.3604651 0.3604651 0.3076161), wk = 0.0036765 k( 202) = ( 0.3488372 0.3488372 0.3076161), wk = 0.0036765 k( 203) = ( 0.3372093 0.3372093 0.3076161), wk = 0.0036765 k( 204) = ( 0.3255814 0.3255814 0.3076161), wk = 0.0036765 k( 205) = ( 0.3139535 0.3139535 0.3076161), wk = 0.0036765 k( 206) = ( 0.3023256 0.3023256 0.3076161), wk = 0.0036765 k( 207) = ( 0.2906977 0.2906977 0.3076161), wk = 0.0036765 k( 208) = ( 0.2790698 0.2790698 0.3076161), wk = 0.0036765 k( 209) = ( 0.2674419 0.2674419 0.3076161), wk = 0.0036765 k( 210) = ( 0.2558140 0.2558140 0.3076161), wk = 0.0036765 k( 211) = ( 0.2441860 0.2441860 0.3076161), wk = 0.0036765 k( 212) = ( 0.2325581 0.2325581 0.3076161), wk = 0.0036765 k( 213) = ( 0.2209302 0.2209302 0.3076161), wk = 0.0036765 k( 214) = ( 0.2093023 0.2093023 0.3076161), wk = 0.0036765 k( 215) = ( 0.1976744 0.1976744 0.3076161), wk = 0.0036765 k( 216) = ( 0.1860465 0.1860465 0.3076161), wk = 0.0036765 k( 217) = ( 0.1744186 0.1744186 0.3076161), wk = 0.0036765 k( 218) = ( 0.1627907 0.1627907 0.3076161), wk = 0.0036765 k( 219) = ( 0.1511628 0.1511628 0.3076161), wk = 0.0036765 k( 220) = ( 0.1395349 0.1395349 0.3076161), wk = 0.0036765 k( 221) = ( 0.1279070 0.1279070 0.3076161), wk = 0.0036765 k( 222) = ( 0.1162791 0.1162791 0.3076161), wk = 0.0036765 k( 223) = ( 0.1046512 0.1046512 0.3076161), wk = 0.0036765 k( 224) = ( 0.0930233 0.0930233 0.3076161), wk = 0.0036765 k( 225) = ( 0.0813954 0.0813953 0.3076161), wk = 0.0036765 k( 226) = ( 0.0697674 0.0697674 0.3076161), wk = 0.0036765 k( 227) = ( 0.0581395 0.0581395 0.3076161), wk = 0.0036765 k( 228) = ( 0.0465116 0.0465116 0.3076161), wk = 0.0036765 k( 229) = ( 0.0348837 0.0348837 0.3076161), wk = 0.0036765 k( 230) = ( 0.0232558 0.0232558 0.3076161), wk = 0.0036765 k( 231) = ( 0.0116279 0.0116279 0.3076161), wk = 0.0036765 k( 232) = ( 0.0000000 0.0000000 0.3076161), wk = 0.0036765 k( 233) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 234) = ( 0.0000000 0.5000000 0.0161903), wk = 0.0036765 k( 235) = ( 0.0000000 0.5000000 0.0323806), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 0.0485710), wk = 0.0036765 k( 237) = ( 0.0000000 0.5000000 0.0647613), wk = 0.0036765 k( 238) = ( 0.0000000 0.5000000 0.0809516), wk = 0.0036765 k( 239) = ( 0.0000000 0.5000000 0.0971419), wk = 0.0036765 k( 240) = ( 0.0000000 0.5000000 0.1133322), wk = 0.0036765 k( 241) = ( 0.0000000 0.5000000 0.1295226), wk = 0.0036765 k( 242) = ( 0.0000000 0.5000000 0.1457129), wk = 0.0036765 k( 243) = ( 0.0000000 0.5000000 0.1619032), wk = 0.0036765 k( 244) = ( 0.0000000 0.5000000 0.1780935), wk = 0.0036765 k( 245) = ( 0.0000000 0.5000000 0.1942838), wk = 0.0036765 k( 246) = ( 0.0000000 0.5000000 0.2104742), wk = 0.0036765 k( 247) = ( 0.0000000 0.5000000 0.2266645), wk = 0.0036765 k( 248) = ( 0.0000000 0.5000000 0.2428548), wk = 0.0036765 k( 249) = ( 0.0000000 0.5000000 0.2590451), wk = 0.0036765 k( 250) = ( 0.0000000 0.5000000 0.2752354), wk = 0.0036765 k( 251) = ( 0.0000000 0.5000000 0.2914258), wk = 0.0036765 k( 252) = ( 0.0000000 0.5000000 0.3076161), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.0161903), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.0323806), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.0485710), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.0647613), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.0809516), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.0971419), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.1133322), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.1295226), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.1457129), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.1619032), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.1780935), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.1942838), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.2104742), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.2266645), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.2428548), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.2590451), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.2752354), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.2914258), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.3076161), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0036765 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0036765 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0036765 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0036765 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0036765 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0036765 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0036765 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0036765 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0036765 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036765 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0036765 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0036765 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036765 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0036765 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0036765 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036765 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036765 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0036765 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0036765 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 64) = ( 0.4883721 0.4883721 0.0000000), wk = 0.0036765 k( 65) = ( 0.4767442 0.4767442 -0.0000000), wk = 0.0036765 k( 66) = ( 0.4651163 0.4651163 -0.0000000), wk = 0.0036765 k( 67) = ( 0.4534884 0.4534884 -0.0000000), wk = 0.0036765 k( 68) = ( 0.4418605 0.4418605 0.0000000), wk = 0.0036765 k( 69) = ( 0.4302326 0.4302326 -0.0000000), wk = 0.0036765 k( 70) = ( 0.4186047 0.4186047 -0.0000000), wk = 0.0036765 k( 71) = ( 0.4069767 0.4069767 0.0000000), wk = 0.0036765 k( 72) = ( 0.3953488 0.3953488 -0.0000000), wk = 0.0036765 k( 73) = ( 0.3837209 0.3837209 -0.0000000), wk = 0.0036765 k( 74) = ( 0.3720930 0.3720930 -0.0000000), wk = 0.0036765 k( 75) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0036765 k( 76) = ( 0.3488372 0.3488372 -0.0000000), wk = 0.0036765 k( 77) = ( 0.3372093 0.3372093 -0.0000000), wk = 0.0036765 k( 78) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0036765 k( 79) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0036765 k( 80) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0036765 k( 81) = ( 0.2906977 0.2906977 -0.0000000), wk = 0.0036765 k( 82) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0036765 k( 83) = ( 0.2674419 0.2674419 0.0000000), wk = 0.0036765 k( 84) = ( 0.2558140 0.2558140 0.0000000), wk = 0.0036765 k( 85) = ( 0.2441860 0.2441860 -0.0000000), wk = 0.0036765 k( 86) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0036765 k( 87) = ( 0.2209302 0.2209302 0.0000000), wk = 0.0036765 k( 88) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0036765 k( 89) = ( 0.1976744 0.1976744 -0.0000000), wk = 0.0036765 k( 90) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0036765 k( 91) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0036765 k( 92) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0036765 k( 93) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0036765 k( 94) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0036765 k( 95) = ( 0.1279070 0.1279070 0.0000000), wk = 0.0036765 k( 96) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0036765 k( 97) = ( 0.1046512 0.1046512 -0.0000000), wk = 0.0036765 k( 98) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0036765 k( 99) = ( 0.0813954 0.0813954 0.0000000), wk = 0.0036765 k( 100) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0036765 k( 101) = ( 0.0581395 0.0581395 -0.0000000), wk = 0.0036765 k( 102) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0036765 k( 103) = ( 0.0348837 0.0348837 0.0000000), wk = 0.0036765 k( 104) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0036765 k( 105) = ( 0.0116279 0.0116279 -0.0000000), wk = 0.0036765 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 108) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0036765 k( 112) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0036765 k( 113) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0036765 k( 114) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0036765 k( 115) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0036765 k( 116) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0036765 k( 117) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0036765 k( 118) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0036765 k( 119) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0036765 k( 120) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0036765 k( 121) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0036765 k( 125) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0036765 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 128) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0036765 k( 129) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0036765 k( 130) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0036765 k( 131) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0036765 k( 132) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0036765 k( 133) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0036765 k( 134) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0036765 k( 135) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0036765 k( 136) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0036765 k( 137) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0036765 k( 138) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0036765 k( 139) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0036765 k( 140) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0036765 k( 141) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0036765 k( 142) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0036765 k( 143) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0036765 k( 144) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0036765 k( 145) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0036765 k( 146) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0036765 k( 147) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0036765 k( 148) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0036765 k( 149) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0036765 k( 150) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0036765 k( 151) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0036765 k( 152) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0036765 k( 153) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0036765 k( 154) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0036765 k( 155) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0036765 k( 156) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0036765 k( 157) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 158) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 159) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0036765 k( 160) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0036765 k( 161) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0036765 k( 162) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0036765 k( 163) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0036765 k( 164) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0036765 k( 165) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0036765 k( 166) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0036765 k( 167) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0036765 k( 168) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0036765 k( 169) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0036765 k( 170) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0036765 k( 171) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0036765 k( 172) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0036765 k( 173) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0036765 k( 174) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0036765 k( 175) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0036765 k( 176) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0036765 k( 177) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0036765 k( 178) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0036765 k( 179) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0036765 k( 180) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0036765 k( 181) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0036765 k( 182) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0036765 k( 183) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0036765 k( 184) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0036765 k( 185) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0036765 k( 186) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0036765 k( 187) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0036765 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 190) = ( 0.4883721 0.4883721 0.5000000), wk = 0.0036765 k( 191) = ( 0.4767442 0.4767442 0.5000000), wk = 0.0036765 k( 192) = ( 0.4651163 0.4651163 0.5000000), wk = 0.0036765 k( 193) = ( 0.4534884 0.4534884 0.5000000), wk = 0.0036765 k( 194) = ( 0.4418605 0.4418605 0.5000000), wk = 0.0036765 k( 195) = ( 0.4302326 0.4302326 0.5000000), wk = 0.0036765 k( 196) = ( 0.4186047 0.4186047 0.5000000), wk = 0.0036765 k( 197) = ( 0.4069767 0.4069767 0.5000000), wk = 0.0036765 k( 198) = ( 0.3953488 0.3953488 0.5000000), wk = 0.0036765 k( 199) = ( 0.3837209 0.3837209 0.5000000), wk = 0.0036765 k( 200) = ( 0.3720930 0.3720930 0.5000000), wk = 0.0036765 k( 201) = ( 0.3604651 0.3604651 0.5000000), wk = 0.0036765 k( 202) = ( 0.3488372 0.3488372 0.5000000), wk = 0.0036765 k( 203) = ( 0.3372093 0.3372093 0.5000000), wk = 0.0036765 k( 204) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0036765 k( 205) = ( 0.3139535 0.3139535 0.5000000), wk = 0.0036765 k( 206) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0036765 k( 207) = ( 0.2906977 0.2906977 0.5000000), wk = 0.0036765 k( 208) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0036765 k( 209) = ( 0.2674419 0.2674419 0.5000000), wk = 0.0036765 k( 210) = ( 0.2558140 0.2558140 0.5000000), wk = 0.0036765 k( 211) = ( 0.2441860 0.2441860 0.5000000), wk = 0.0036765 k( 212) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0036765 k( 213) = ( 0.2209302 0.2209302 0.5000000), wk = 0.0036765 k( 214) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0036765 k( 215) = ( 0.1976744 0.1976744 0.5000000), wk = 0.0036765 k( 216) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0036765 k( 217) = ( 0.1744186 0.1744186 0.5000000), wk = 0.0036765 k( 218) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0036765 k( 219) = ( 0.1511628 0.1511628 0.5000000), wk = 0.0036765 k( 220) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0036765 k( 221) = ( 0.1279070 0.1279070 0.5000000), wk = 0.0036765 k( 222) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0036765 k( 223) = ( 0.1046512 0.1046512 0.5000000), wk = 0.0036765 k( 224) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0036765 k( 225) = ( 0.0813954 0.0813954 0.5000000), wk = 0.0036765 k( 226) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0036765 k( 227) = ( 0.0581395 0.0581395 0.5000000), wk = 0.0036765 k( 228) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0036765 k( 229) = ( 0.0348837 0.0348837 0.5000000), wk = 0.0036765 k( 230) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0036765 k( 231) = ( 0.0116279 0.0116279 0.5000000), wk = 0.0036765 k( 232) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 233) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 234) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0036765 k( 235) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0036765 k( 237) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0036765 k( 238) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0036765 k( 239) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0036765 k( 240) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0036765 k( 241) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0036765 k( 242) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0036765 k( 243) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0036765 k( 244) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0036765 k( 245) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0036765 k( 246) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0036765 k( 247) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0036765 k( 248) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0036765 k( 249) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0036765 k( 250) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0036765 k( 251) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0036765 k( 252) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 Dense grid: 158333 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 153071 G-vectors FFT dimensions: ( 60, 60, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.58 Mb ( 556, 68) NL pseudopotentials 1.05 Mb ( 278, 248) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2202) G-vector shells 0.01 Mb ( 1119) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.31 Mb ( 556, 272) Each subspace H/S matrix 0.03 Mb ( 45, 45) Each matrix 0.51 Mb ( 248, 2, 68) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./CsAgC2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 8.4 secs Computing kpt #: 4 total cpu time spent up to now is 10.4 secs Computing kpt #: 5 total cpu time spent up to now is 12.4 secs Computing kpt #: 6 total cpu time spent up to now is 14.4 secs Computing kpt #: 7 total cpu time spent up to now is 16.6 secs Computing kpt #: 8 total cpu time spent up to now is 18.7 secs Computing kpt #: 9 total cpu time spent up to now is 20.8 secs Computing kpt #: 10 total cpu time spent up to now is 23.2 secs Computing kpt #: 11 total cpu time spent up to now is 25.5 secs Computing kpt #: 12 total cpu time spent up to now is 27.9 secs Computing kpt #: 13 total cpu time spent up to now is 30.0 secs Computing kpt #: 14 total cpu time spent up to now is 32.3 secs Computing kpt #: 15 total cpu time spent up to now is 34.6 secs Computing kpt #: 16 total cpu time spent up to now is 37.0 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.1 secs Computing kpt #: 18 total cpu time spent up to now is 43.1 secs Computing kpt #: 19 total cpu time spent up to now is 45.1 secs Computing kpt #: 20 total cpu time spent up to now is 47.1 secs Computing kpt #: 21 total cpu time spent up to now is 48.9 secs Computing kpt #: 22 total cpu time spent up to now is 50.8 secs Computing kpt #: 23 total cpu time spent up to now is 52.8 secs Computing kpt #: 24 total cpu time spent up to now is 54.7 secs Computing kpt #: 25 total cpu time spent up to now is 56.5 secs Computing kpt #: 26 total cpu time spent up to now is 58.4 secs Computing kpt #: 27 total cpu time spent up to now is 60.3 secs Computing kpt #: 28 total cpu time spent up to now is 62.1 secs Computing kpt #: 29 total cpu time spent up to now is 64.0 secs Computing kpt #: 30 total cpu time spent up to now is 65.9 secs Computing kpt #: 31 total cpu time spent up to now is 67.8 secs Computing kpt #: 32 total cpu time spent up to now is 69.7 secs Computing kpt #: 33 total cpu time spent up to now is 71.6 secs Computing kpt #: 34 total cpu time spent up to now is 73.5 secs Computing kpt #: 35 total cpu time spent up to now is 75.4 secs Computing kpt #: 36 total cpu time spent up to now is 77.3 secs Computing kpt #: 37 total cpu time spent up to now is 79.2 secs Computing kpt #: 38 total cpu time spent up to now is 81.1 secs Computing kpt #: 39 total cpu time spent up to now is 83.0 secs Computing kpt #: 40 total cpu time spent up to now is 84.8 secs Computing kpt #: 41 total cpu time spent up to now is 86.6 secs Computing kpt #: 42 total cpu time spent up to now is 88.4 secs Computing kpt #: 43 total cpu time spent up to now is 90.2 secs Computing kpt #: 44 total cpu time spent up to now is 92.0 secs Computing kpt #: 45 total cpu time spent up to now is 93.8 secs Computing kpt #: 46 total cpu time spent up to now is 95.6 secs Computing kpt #: 47 total cpu time spent up to now is 97.4 secs Computing kpt #: 48 total cpu time spent up to now is 99.1 secs Computing kpt #: 49 total cpu time spent up to now is 100.9 secs Computing kpt #: 50 total cpu time spent up to now is 102.7 secs Computing kpt #: 51 total cpu time spent up to now is 104.4 secs Computing kpt #: 52 total cpu time spent up to now is 106.2 secs Computing kpt #: 53 total cpu time spent up to now is 107.9 secs Computing kpt #: 54 total cpu time spent up to now is 109.7 secs Computing kpt #: 55 total cpu time spent up to now is 111.4 secs Computing kpt #: 56 total cpu time spent up to now is 113.2 secs Computing kpt #: 57 total cpu time spent up to now is 114.9 secs Computing kpt #: 58 total cpu time spent up to now is 116.7 secs Computing kpt #: 59 total cpu time spent up to now is 118.4 secs Computing kpt #: 60 total cpu time spent up to now is 120.2 secs Computing kpt #: 61 total cpu time spent up to now is 121.9 secs Computing kpt #: 62 total cpu time spent up to now is 123.4 secs Computing kpt #: 63 total cpu time spent up to now is 125.1 secs Computing kpt #: 64 total cpu time spent up to now is 126.8 secs Computing kpt #: 65 total cpu time spent up to now is 128.5 secs Computing kpt #: 66 total cpu time spent up to now is 130.3 secs Computing kpt #: 67 total cpu time spent up to now is 132.1 secs Computing kpt #: 68 total cpu time spent up to now is 133.9 secs Computing kpt #: 69 total cpu time spent up to now is 135.6 secs Computing kpt #: 70 total cpu time spent up to now is 137.4 secs Computing kpt #: 71 total cpu time spent up to now is 139.2 secs Computing kpt #: 72 total cpu time spent up to now is 141.0 secs Computing kpt #: 73 total cpu time spent up to now is 142.7 secs Computing kpt #: 74 total cpu time spent up to now is 144.5 secs Computing kpt #: 75 total cpu time spent up to now is 146.3 secs Computing kpt #: 76 total cpu time spent up to now is 148.1 secs Computing kpt #: 77 total cpu time spent up to now is 149.9 secs Computing kpt #: 78 total cpu time spent up to now is 151.8 secs Computing kpt #: 79 total cpu time spent up to now is 153.6 secs Computing kpt #: 80 total cpu time spent up to now is 155.3 secs Computing kpt #: 81 total cpu time spent up to now is 157.1 secs Computing kpt #: 82 total cpu time spent up to now is 158.9 secs Computing kpt #: 83 total cpu time spent up to now is 160.7 secs Computing kpt #: 84 total cpu time spent up to now is 162.6 secs Computing kpt #: 85 total cpu time spent up to now is 164.5 secs Computing kpt #: 86 total cpu time spent up to now is 166.9 secs Computing kpt #: 87 total cpu time spent up to now is 169.3 secs Computing kpt #: 88 total cpu time spent up to now is 171.5 secs Computing kpt #: 89 total cpu time spent up to now is 173.6 secs Computing kpt #: 90 total cpu time spent up to now is 175.7 secs Computing kpt #: 91 total cpu time spent up to now is 177.9 secs Computing kpt #: 92 total cpu time spent up to now is 180.3 secs Computing kpt #: 93 total cpu time spent up to now is 182.7 secs Computing kpt #: 94 total cpu time spent up to now is 185.0 secs Computing kpt #: 95 total cpu time spent up to now is 187.4 secs Computing kpt #: 96 total cpu time spent up to now is 189.5 secs Computing kpt #: 97 total cpu time spent up to now is 191.9 secs Computing kpt #: 98 total cpu time spent up to now is 193.9 secs Computing kpt #: 99 total cpu time spent up to now is 195.8 secs Computing kpt #: 100 total cpu time spent up to now is 197.8 secs Computing kpt #: 101 total cpu time spent up to now is 199.9 secs Computing kpt #: 102 total cpu time spent up to now is 201.9 secs Computing kpt #: 103 total cpu time spent up to now is 203.9 secs Computing kpt #: 104 total cpu time spent up to now is 205.9 secs Computing kpt #: 105 total cpu time spent up to now is 207.9 secs Computing kpt #: 106 total cpu time spent up to now is 210.2 secs Computing kpt #: 107 total cpu time spent up to now is 212.5 secs Computing kpt #: 108 total cpu time spent up to now is 214.8 secs Computing kpt #: 109 total cpu time spent up to now is 217.1 secs Computing kpt #: 110 total cpu time spent up to now is 219.4 secs Computing kpt #: 111 total cpu time spent up to now is 221.4 secs Computing kpt #: 112 total cpu time spent up to now is 223.5 secs Computing kpt #: 113 total cpu time spent up to now is 225.5 secs Computing kpt #: 114 total cpu time spent up to now is 227.6 secs Computing kpt #: 115 total cpu time spent up to now is 229.6 secs Computing kpt #: 116 total cpu time spent up to now is 231.9 secs Computing kpt #: 117 total cpu time spent up to now is 234.2 secs Computing kpt #: 118 total cpu time spent up to now is 236.3 secs Computing kpt #: 119 total cpu time spent up to now is 238.6 secs Computing kpt #: 120 total cpu time spent up to now is 240.6 secs Computing kpt #: 121 total cpu time spent up to now is 242.7 secs Computing kpt #: 122 total cpu time spent up to now is 244.8 secs Computing kpt #: 123 total cpu time spent up to now is 247.2 secs Computing kpt #: 124 total cpu time spent up to now is 249.5 secs Computing kpt #: 125 total cpu time spent up to now is 251.5 secs Computing kpt #: 126 total cpu time spent up to now is 253.5 secs Computing kpt #: 127 total cpu time spent up to now is 255.4 secs Computing kpt #: 128 total cpu time spent up to now is 257.3 secs Computing kpt #: 129 total cpu time spent up to now is 259.3 secs Computing kpt #: 130 total cpu time spent up to now is 261.1 secs Computing kpt #: 131 total cpu time spent up to now is 262.9 secs Computing kpt #: 132 total cpu time spent up to now is 264.7 secs Computing kpt #: 133 total cpu time spent up to now is 266.4 secs Computing kpt #: 134 total cpu time spent up to now is 268.2 secs Computing kpt #: 135 total cpu time spent up to now is 270.0 secs Computing kpt #: 136 total cpu time spent up to now is 271.8 secs Computing kpt #: 137 total cpu time spent up to now is 273.6 secs Computing kpt #: 138 total cpu time spent up to now is 275.4 secs Computing kpt #: 139 total cpu time spent up to now is 277.1 secs Computing kpt #: 140 total cpu time spent up to now is 278.9 secs Computing kpt #: 141 total cpu time spent up to now is 280.6 secs Computing kpt #: 142 total cpu time spent up to now is 282.4 secs Computing kpt #: 143 total cpu time spent up to now is 284.2 secs Computing kpt #: 144 total cpu time spent up to now is 286.1 secs Computing kpt #: 145 total cpu time spent up to now is 288.0 secs Computing kpt #: 146 total cpu time spent up to now is 289.9 secs Computing kpt #: 147 total cpu time spent up to now is 291.9 secs Computing kpt #: 148 total cpu time spent up to now is 293.8 secs Computing kpt #: 149 total cpu time spent up to now is 295.7 secs Computing kpt #: 150 total cpu time spent up to now is 297.6 secs Computing kpt #: 151 total cpu time spent up to now is 299.5 secs Computing kpt #: 152 total cpu time spent up to now is 301.4 secs Computing kpt #: 153 total cpu time spent up to now is 303.3 secs Computing kpt #: 154 total cpu time spent up to now is 305.2 secs Computing kpt #: 155 total cpu time spent up to now is 307.0 secs Computing kpt #: 156 total cpu time spent up to now is 308.9 secs Computing kpt #: 157 total cpu time spent up to now is 310.8 secs Computing kpt #: 158 total cpu time spent up to now is 312.7 secs Computing kpt #: 159 total cpu time spent up to now is 314.6 secs Computing kpt #: 160 total cpu time spent up to now is 316.5 secs Computing kpt #: 161 total cpu time spent up to now is 318.4 secs Computing kpt #: 162 total cpu time spent up to now is 320.4 secs Computing kpt #: 163 total cpu time spent up to now is 322.4 secs Computing kpt #: 164 total cpu time spent up to now is 324.3 secs Computing kpt #: 165 total cpu time spent up to now is 326.3 secs Computing kpt #: 166 total cpu time spent up to now is 328.3 secs Computing kpt #: 167 total cpu time spent up to now is 330.2 secs Computing kpt #: 168 total cpu time spent up to now is 332.4 secs Computing kpt #: 169 total cpu time spent up to now is 334.4 secs Computing kpt #: 170 total cpu time spent up to now is 336.4 secs Computing kpt #: 171 total cpu time spent up to now is 338.4 secs Computing kpt #: 172 total cpu time spent up to now is 340.4 secs Computing kpt #: 173 total cpu time spent up to now is 342.4 secs Computing kpt #: 174 total cpu time spent up to now is 344.5 secs Computing kpt #: 175 total cpu time spent up to now is 348.1 secs Computing kpt #: 176 total cpu time spent up to now is 351.0 secs Computing kpt #: 177 total cpu time spent up to now is 355.0 secs Computing kpt #: 178 total cpu time spent up to now is 358.6 secs Computing kpt #: 179 total cpu time spent up to now is 361.6 secs Computing kpt #: 180 total cpu time spent up to now is 364.5 secs Computing kpt #: 181 total cpu time spent up to now is 368.4 secs Computing kpt #: 182 total cpu time spent up to now is 371.9 secs Computing kpt #: 183 total cpu time spent up to now is 375.0 secs Computing kpt #: 184 total cpu time spent up to now is 378.0 secs Computing kpt #: 185 total cpu time spent up to now is 381.0 secs Computing kpt #: 186 total cpu time spent up to now is 384.0 secs Computing kpt #: 187 total cpu time spent up to now is 386.9 secs Computing kpt #: 188 total cpu time spent up to now is 389.6 secs Computing kpt #: 189 total cpu time spent up to now is 392.2 secs Computing kpt #: 190 total cpu time spent up to now is 395.1 secs Computing kpt #: 191 total cpu time spent up to now is 397.8 secs Computing kpt #: 192 total cpu time spent up to now is 400.4 secs Computing kpt #: 193 total cpu time spent up to now is 402.8 secs Computing kpt #: 194 total cpu time spent up to now is 404.9 secs Computing kpt #: 195 total cpu time spent up to now is 407.0 secs Computing kpt #: 196 total cpu time spent up to now is 409.0 secs Computing kpt #: 197 total cpu time spent up to now is 411.0 secs Computing kpt #: 198 total cpu time spent up to now is 413.0 secs Computing kpt #: 199 total cpu time spent up to now is 415.0 secs Computing kpt #: 200 total cpu time spent up to now is 417.0 secs Computing kpt #: 201 total cpu time spent up to now is 418.9 secs Computing kpt #: 202 total cpu time spent up to now is 420.8 secs Computing kpt #: 203 total cpu time spent up to now is 422.7 secs Computing kpt #: 204 total cpu time spent up to now is 424.6 secs Computing kpt #: 205 total cpu time spent up to now is 426.5 secs Computing kpt #: 206 total cpu time spent up to now is 428.4 secs Computing kpt #: 207 total cpu time spent up to now is 430.3 secs Computing kpt #: 208 total cpu time spent up to now is 432.2 secs Computing kpt #: 209 total cpu time spent up to now is 434.0 secs Computing kpt #: 210 total cpu time spent up to now is 435.9 secs Computing kpt #: 211 total cpu time spent up to now is 437.8 secs Computing kpt #: 212 total cpu time spent up to now is 439.6 secs Computing kpt #: 213 total cpu time spent up to now is 441.5 secs Computing kpt #: 214 total cpu time spent up to now is 443.4 secs Computing kpt #: 215 total cpu time spent up to now is 445.3 secs Computing kpt #: 216 total cpu time spent up to now is 447.2 secs Computing kpt #: 217 total cpu time spent up to now is 449.1 secs Computing kpt #: 218 total cpu time spent up to now is 451.0 secs Computing kpt #: 219 total cpu time spent up to now is 452.9 secs Computing kpt #: 220 total cpu time spent up to now is 454.8 secs Computing kpt #: 221 total cpu time spent up to now is 456.6 secs Computing kpt #: 222 total cpu time spent up to now is 458.5 secs Computing kpt #: 223 total cpu time spent up to now is 460.3 secs Computing kpt #: 224 total cpu time spent up to now is 462.1 secs Computing kpt #: 225 total cpu time spent up to now is 464.0 secs Computing kpt #: 226 total cpu time spent up to now is 465.8 secs Computing kpt #: 227 total cpu time spent up to now is 467.6 secs Computing kpt #: 228 total cpu time spent up to now is 469.4 secs Computing kpt #: 229 total cpu time spent up to now is 471.2 secs Computing kpt #: 230 total cpu time spent up to now is 473.0 secs Computing kpt #: 231 total cpu time spent up to now is 474.8 secs Computing kpt #: 232 total cpu time spent up to now is 476.6 secs Computing kpt #: 233 total cpu time spent up to now is 478.5 secs Computing kpt #: 234 total cpu time spent up to now is 480.4 secs Computing kpt #: 235 total cpu time spent up to now is 482.3 secs Computing kpt #: 236 total cpu time spent up to now is 484.1 secs Computing kpt #: 237 total cpu time spent up to now is 486.0 secs Computing kpt #: 238 total cpu time spent up to now is 487.9 secs Computing kpt #: 239 total cpu time spent up to now is 489.9 secs Computing kpt #: 240 total cpu time spent up to now is 491.8 secs Computing kpt #: 241 total cpu time spent up to now is 493.7 secs Computing kpt #: 242 total cpu time spent up to now is 495.7 secs Computing kpt #: 243 total cpu time spent up to now is 497.6 secs Computing kpt #: 244 total cpu time spent up to now is 499.5 secs Computing kpt #: 245 total cpu time spent up to now is 501.5 secs Computing kpt #: 246 total cpu time spent up to now is 503.4 secs Computing kpt #: 247 total cpu time spent up to now is 505.4 secs Computing kpt #: 248 total cpu time spent up to now is 507.3 secs Computing kpt #: 249 total cpu time spent up to now is 509.3 secs Computing kpt #: 250 total cpu time spent up to now is 511.3 secs Computing kpt #: 251 total cpu time spent up to now is 513.1 secs Computing kpt #: 252 total cpu time spent up to now is 515.0 secs Computing kpt #: 253 total cpu time spent up to now is 516.5 secs Computing kpt #: 254 total cpu time spent up to now is 518.2 secs Computing kpt #: 255 total cpu time spent up to now is 519.7 secs Computing kpt #: 256 total cpu time spent up to now is 521.2 secs Computing kpt #: 257 total cpu time spent up to now is 523.0 secs Computing kpt #: 258 total cpu time spent up to now is 524.7 secs Computing kpt #: 259 total cpu time spent up to now is 526.4 secs Computing kpt #: 260 total cpu time spent up to now is 528.1 secs Computing kpt #: 261 total cpu time spent up to now is 529.8 secs Computing kpt #: 262 total cpu time spent up to now is 531.6 secs Computing kpt #: 263 total cpu time spent up to now is 533.3 secs Computing kpt #: 264 total cpu time spent up to now is 535.0 secs Computing kpt #: 265 total cpu time spent up to now is 536.8 secs Computing kpt #: 266 total cpu time spent up to now is 538.7 secs Computing kpt #: 267 total cpu time spent up to now is 540.6 secs Computing kpt #: 268 total cpu time spent up to now is 542.5 secs Computing kpt #: 269 total cpu time spent up to now is 544.6 secs Computing kpt #: 270 total cpu time spent up to now is 547.0 secs Computing kpt #: 271 total cpu time spent up to now is 550.5 secs Computing kpt #: 272 total cpu time spent up to now is 553.4 secs ethr = 1.79E-08, avg # of iterations = 33.4 total cpu time spent up to now is 553.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19081 PWs) bands (ev): -16.2463 -16.2463 -16.1766 -16.1766 -9.5308 -9.5308 -9.4578 -9.4578 -5.0216 -5.0216 -4.9491 -4.9491 -3.6927 -3.6927 -3.6242 -3.6242 -3.4286 -3.4286 -3.3695 -3.3695 -2.2355 -2.2355 -2.2158 -2.2158 -0.8384 -0.8384 -0.8257 -0.8257 -0.1534 -0.1534 -0.1482 -0.1482 -0.0966 -0.0966 -0.0825 -0.0825 0.3241 0.3241 0.3886 0.3886 0.6179 0.6179 0.6698 0.6698 1.1846 1.1846 1.4068 1.4068 1.4680 1.4680 1.5569 1.5569 1.5633 1.5633 2.4936 2.4936 7.0281 7.0281 7.4673 7.4673 7.5801 7.5801 8.3405 8.3405 8.5667 8.5667 8.9937 8.9937 k = 0.0000 0.0167-0.0000 ( 19065 PWs) bands (ev): -16.2463 -16.2463 -16.1766 -16.1766 -9.5306 -9.5306 -9.4577 -9.4577 -5.0219 -5.0219 -4.9490 -4.9490 -3.6934 -3.6934 -3.6239 -3.6239 -3.4290 -3.4290 -3.3694 -3.3694 -2.2401 -2.2401 -2.2192 -2.2192 -0.8354 -0.8354 -0.8193 -0.8193 -0.1541 -0.1541 -0.1490 -0.1490 -0.0974 -0.0974 -0.0831 -0.0831 0.3234 0.3234 0.3882 0.3882 0.6178 0.6178 0.6698 0.6698 1.1875 1.1875 1.4080 1.4080 1.4673 1.4673 1.5577 1.5577 1.5676 1.5676 2.4934 2.4934 7.0273 7.0273 7.4683 7.4683 7.5794 7.5794 8.3363 8.3363 8.5568 8.5568 8.9897 8.9897 k = 0.0000 0.0333-0.0000 ( 19075 PWs) bands (ev): -16.2462 -16.2462 -16.1765 -16.1765 -9.5301 -9.5301 -9.4575 -9.4575 -5.0228 -5.0228 -4.9486 -4.9486 -3.6952 -3.6952 -3.6230 -3.6230 -3.4299 -3.4299 -3.3692 -3.3692 -2.2595 -2.2595 -2.2231 -2.2231 -0.8337 -0.8337 -0.7934 -0.7934 -0.1573 -0.1573 -0.1503 -0.1503 -0.1001 -0.1001 -0.0845 -0.0845 0.3211 0.3211 0.3871 0.3871 0.6178 0.6178 0.6699 0.6699 1.1958 1.1958 1.4104 1.4104 1.4669 1.4669 1.5618 1.5618 1.5781 1.5781 2.4928 2.4928 7.0249 7.0249 7.4713 7.4713 7.5772 7.5772 8.3242 8.3242 8.5281 8.5281 8.9782 8.9782 k = 0.0000 0.0500-0.0000 ( 19089 PWs) bands (ev): -16.2461 -16.2461 -16.1764 -16.1764 -9.5293 -9.5293 -9.4571 -9.4571 -5.0243 -5.0243 -4.9481 -4.9481 -3.6981 -3.6981 -3.6217 -3.6217 -3.4314 -3.4314 -3.3688 -3.3688 -2.2948 -2.2948 -2.2245 -2.2245 -0.8339 -0.8339 -0.7495 -0.7495 -0.1640 -0.1640 -0.1508 -0.1508 -0.1053 -0.1053 -0.0859 -0.0859 0.3175 0.3175 0.3855 0.3855 0.6176 0.6176 0.6699 0.6699 1.2091 1.2091 1.4111 1.4111 1.4711 1.4711 1.5701 1.5701 1.5923 1.5923 2.4918 2.4918 7.0208 7.0208 7.4762 7.4762 7.5732 7.5732 8.3055 8.3055 8.4826 8.4826 8.9604 8.9604 k = 0.0000 0.0667-0.0000 ( 19083 PWs) bands (ev): -16.2459 -16.2459 -16.1763 -16.1763 -9.5281 -9.5281 -9.4566 -9.4566 -5.0263 -5.0263 -4.9474 -4.9474 -3.7019 -3.7019 -3.6202 -3.6202 -3.4335 -3.4335 -3.3683 -3.3683 -2.3420 -2.3420 -2.2249 -2.2249 -0.8347 -0.8347 -0.6915 -0.6915 -0.1735 -0.1735 -0.1509 -0.1509 -0.1132 -0.1132 -0.0870 -0.0870 0.3125 0.3125 0.3838 0.3838 0.6175 0.6175 0.6700 0.6700 1.2268 1.2268 1.4078 1.4078 1.4830 1.4830 1.5829 1.5829 1.6092 1.6092 2.4903 2.4903 7.0148 7.0148 7.4828 7.4828 7.5667 7.5667 8.2821 8.2821 8.4232 8.4232 8.9377 8.9377 k = 0.0000 0.0833-0.0000 ( 19061 PWs) bands (ev): -16.2457 -16.2457 -16.1762 -16.1762 -9.5268 -9.5268 -9.4559 -9.4559 -5.0287 -5.0287 -4.9466 -4.9466 -3.7065 -3.7065 -3.6186 -3.6186 -3.4361 -3.4361 -3.3678 -3.3678 -2.3977 -2.3977 -2.2249 -2.2249 -0.8358 -0.8358 -0.6226 -0.6226 -0.1851 -0.1851 -0.1510 -0.1510 -0.1237 -0.1237 -0.0878 -0.0878 0.3063 0.3063 0.3821 0.3821 0.6173 0.6173 0.6701 0.6701 1.2480 1.2480 1.4012 1.4012 1.5021 1.5021 1.6003 1.6003 1.6281 1.6281 2.4884 2.4884 7.0068 7.0068 7.4905 7.4905 7.5574 7.5574 8.2561 8.2561 8.3530 8.3530 8.9118 8.9118 k = 0.0000 0.1000-0.0000 ( 19077 PWs) bands (ev): -16.2455 -16.2455 -16.1760 -16.1760 -9.5253 -9.5253 -9.4549 -9.4549 -5.0316 -5.0316 -4.9457 -4.9457 -3.7116 -3.7116 -3.6171 -3.6171 -3.4391 -3.4391 -3.3672 -3.3672 -2.4595 -2.4595 -2.2248 -2.2248 -0.8373 -0.8373 -0.5461 -0.5461 -0.1976 -0.1976 -0.1511 -0.1511 -0.1362 -0.1362 -0.0883 -0.0883 0.2993 0.2993 0.3805 0.3805 0.6172 0.6172 0.6702 0.6702 1.2716 1.2716 1.3932 1.3932 1.5262 1.5262 1.6225 1.6225 1.6487 1.6487 2.4861 2.4861 6.9966 6.9966 7.4976 7.4976 7.5457 7.5457 8.2288 8.2288 8.2753 8.2753 8.8841 8.8841 k = 0.0000 0.1167-0.0000 ( 19078 PWs) bands (ev): -16.2452 -16.2452 -16.1759 -16.1759 -9.5237 -9.5237 -9.4536 -9.4536 -5.0347 -5.0347 -4.9447 -4.9447 -3.7171 -3.7171 -3.6160 -3.6160 -3.4425 -3.4425 -3.3666 -3.3666 -2.5251 -2.5251 -2.2246 -2.2246 -0.8390 -0.8390 -0.4660 -0.4660 -0.2088 -0.2088 -0.1535 -0.1535 -0.1483 -0.1483 -0.0887 -0.0887 0.2919 0.2919 0.3793 0.3793 0.6170 0.6170 0.6703 0.6703 1.2966 1.2966 1.3851 1.3851 1.5537 1.5537 1.6499 1.6499 1.6710 1.6710 2.4832 2.4832 6.9838 6.9838 7.4967 7.4967 7.5381 7.5381 8.1809 8.1809 8.2139 8.2139 8.8559 8.8559 k = 0.0000 0.1333-0.0000 ( 19088 PWs) bands (ev): -16.2449 -16.2449 -16.1756 -16.1756 -9.5220 -9.5220 -9.4519 -9.4519 -5.0382 -5.0382 -4.9438 -4.9438 -3.7230 -3.7230 -3.6152 -3.6152 -3.4461 -3.4461 -3.3661 -3.3661 -2.5928 -2.5928 -2.2244 -2.2244 -0.8409 -0.8409 -0.3903 -0.3903 -0.2121 -0.2121 -0.1679 -0.1679 -0.1498 -0.1498 -0.0889 -0.0889 0.2842 0.2842 0.3784 0.3784 0.6168 0.6168 0.6705 0.6705 1.3217 1.3217 1.3778 1.3778 1.5830 1.5830 1.6822 1.6822 1.6954 1.6954 2.4799 2.4799 6.9683 6.9683 7.4778 7.4778 7.5437 7.5437 8.0934 8.0934 8.1910 8.1910 8.8282 8.8282 k = 0.0000 0.1500-0.0000 ( 19092 PWs) bands (ev): -16.2445 -16.2445 -16.1754 -16.1754 -9.5204 -9.5204 -9.4498 -9.4498 -5.0419 -5.0419 -4.9428 -4.9428 -3.7292 -3.7292 -3.6150 -3.6150 -3.4500 -3.4500 -3.3657 -3.3657 -2.6613 -2.6613 -2.2241 -2.2241 -0.8429 -0.8429 -0.3395 -0.3395 -0.1910 -0.1910 -0.1829 -0.1829 -0.1492 -0.1492 -0.0888 -0.0888 0.2767 0.2767 0.3777 0.3777 0.6167 0.6167 0.6708 0.6708 1.3447 1.3447 1.3732 1.3732 1.6130 1.6130 1.7169 1.7169 1.7247 1.7247 2.4760 2.4760 6.9498 6.9498 7.4459 7.4459 7.5572 7.5572 7.9995 7.9995 8.1757 8.1757 8.8020 8.8020 k = 0.0000 0.1667-0.0000 ( 19114 PWs) bands (ev): -16.2441 -16.2441 -16.1752 -16.1752 -9.5190 -9.5190 -9.4474 -9.4474 -5.0457 -5.0457 -4.9419 -4.9419 -3.7355 -3.7355 -3.6155 -3.6155 -3.4540 -3.4540 -3.3656 -3.3656 -2.7295 -2.7295 -2.2237 -2.2237 -0.8451 -0.8451 -0.3289 -0.3289 -0.2043 -0.2043 -0.1519 -0.1519 -0.1217 -0.1217 -0.0862 -0.0862 0.2694 0.2694 0.3773 0.3773 0.6165 0.6165 0.6711 0.6711 1.3556 1.3556 1.3807 1.3807 1.6425 1.6425 1.7487 1.7487 1.7646 1.7646 2.4716 2.4716 6.9280 6.9280 7.4058 7.4058 7.5741 7.5741 7.9028 7.9028 8.1655 8.1655 8.7784 8.7784 k = 0.0000 0.1833-0.0000 ( 19124 PWs) bands (ev): -16.2437 -16.2437 -16.1749 -16.1749 -9.5177 -9.5177 -9.4444 -9.4444 -5.0497 -5.0497 -4.9411 -4.9411 -3.7419 -3.7419 -3.6168 -3.6168 -3.4580 -3.4580 -3.3657 -3.3657 -2.7963 -2.7963 -2.2234 -2.2234 -0.8474 -0.8474 -0.3392 -0.3392 -0.2236 -0.2236 -0.1506 -0.1506 -0.0931 -0.0931 -0.0277 -0.0277 0.2626 0.2626 0.3772 0.3772 0.6164 0.6164 0.6715 0.6715 1.3535 1.3535 1.4011 1.4011 1.6704 1.6704 1.7825 1.7825 1.8101 1.8101 2.4666 2.4666 6.9028 6.9028 7.3595 7.3595 7.5931 7.5931 7.8048 7.8048 8.1595 8.1595 8.7581 8.7581 k = 0.0000 0.2000-0.0000 ( 19110 PWs) bands (ev): -16.2432 -16.2432 -16.1746 -16.1746 -9.5167 -9.5167 -9.4410 -9.4410 -5.0537 -5.0537 -4.9404 -4.9404 -3.7484 -3.7484 -3.6191 -3.6191 -3.4620 -3.4620 -3.3661 -3.3661 -2.8610 -2.8610 -2.2230 -2.2230 -0.8497 -0.8497 -0.3566 -0.3566 -0.2434 -0.2434 -0.1502 -0.1502 -0.0922 -0.0922 0.0671 0.0671 0.2564 0.2564 0.3774 0.3774 0.6162 0.6162 0.6719 0.6719 1.3500 1.3500 1.4227 1.4227 1.6956 1.6956 1.8203 1.8203 1.8590 1.8590 2.4611 2.4611 6.8741 6.8741 7.3087 7.3087 7.6137 7.6137 7.7065 7.7065 8.1566 8.1566 8.7417 8.7417 k = 0.0000 0.2167-0.0000 ( 19122 PWs) bands (ev): -16.2428 -16.2428 -16.1743 -16.1743 -9.5159 -9.5159 -9.4372 -9.4372 -5.0578 -5.0578 -4.9397 -4.9397 -3.7549 -3.7549 -3.6223 -3.6223 -3.4660 -3.4660 -3.3670 -3.3670 -2.9227 -2.9227 -2.2227 -2.2227 -0.8521 -0.8521 -0.3765 -0.3765 -0.2636 -0.2636 -0.1500 -0.1500 -0.0922 -0.0922 0.1652 0.1652 0.2509 0.2509 0.3782 0.3782 0.6161 0.6161 0.6726 0.6726 1.3469 1.3469 1.4435 1.4435 1.7180 1.7180 1.8621 1.8621 1.9101 1.9101 2.4550 2.4550 6.8419 6.8419 7.2545 7.2545 7.6085 7.6085 7.6355 7.6355 8.1553 8.1553 8.7299 8.7299 k = 0.0000 0.2333-0.0000 ( 19116 PWs) bands (ev): -16.2423 -16.2423 -16.1740 -16.1740 -9.5154 -9.5154 -9.4330 -9.4330 -5.0618 -5.0618 -4.9391 -4.9391 -3.7614 -3.7614 -3.6268 -3.6268 -3.4699 -3.4699 -3.3684 -3.3684 -2.9809 -2.9809 -2.2223 -2.2223 -0.8545 -0.8545 -0.3973 -0.3973 -0.2837 -0.2837 -0.1498 -0.1498 -0.0924 -0.0924 0.2429 0.2429 0.2656 0.2656 0.3810 0.3810 0.6160 0.6160 0.6734 0.6734 1.3447 1.3447 1.4631 1.4631 1.7376 1.7376 1.9072 1.9072 1.9629 1.9629 2.4484 2.4484 6.8064 6.8064 7.1984 7.1984 7.5117 7.5117 7.6583 7.6583 8.1544 8.1544 8.7231 8.7231 k = 0.0000 0.2500-0.0000 ( 19118 PWs) bands (ev): -16.2418 -16.2418 -16.1737 -16.1737 -9.5151 -9.5151 -9.4284 -9.4284 -5.0657 -5.0657 -4.9386 -4.9386 -3.7677 -3.7677 -3.6326 -3.6326 -3.4736 -3.4736 -3.3706 -3.3706 -3.0348 -3.0348 -2.2219 -2.2219 -0.8568 -0.8568 -0.4183 -0.4183 -0.3037 -0.3037 -0.1496 -0.1496 -0.0927 -0.0927 0.2400 0.2400 0.3460 0.3460 0.3989 0.3989 0.6159 0.6159 0.6748 0.6748 1.3435 1.3435 1.4815 1.4815 1.7544 1.7544 1.9546 1.9546 2.0165 2.0165 2.4413 2.4413 6.7680 6.7680 7.1415 7.1415 7.4167 7.4167 7.6820 7.6820 8.1529 8.1529 8.7214 8.7214 k = 0.0000 0.2667-0.0000 ( 19120 PWs) bands (ev): -16.2414 -16.2414 -16.1735 -16.1735 -9.5150 -9.5150 -9.4236 -9.4236 -5.0696 -5.0696 -4.9382 -4.9382 -3.7740 -3.7740 -3.6398 -3.6398 -3.4771 -3.4771 -3.3737 -3.3737 -3.0839 -3.0839 -2.2215 -2.2215 -0.8591 -0.8591 -0.4389 -0.4389 -0.3232 -0.3232 -0.1495 -0.1495 -0.0930 -0.0930 0.2359 0.2359 0.3677 0.3677 0.4752 0.4752 0.6159 0.6159 0.6771 0.6771 1.3431 1.3431 1.4988 1.4988 1.7688 1.7688 2.0035 2.0035 2.0705 2.0705 2.4339 2.4339 6.7269 6.7269 7.0847 7.0847 7.3241 7.3241 7.7061 7.7061 8.1497 8.1497 8.7172 8.7172 k = 0.0000 0.2833-0.0000 ( 19128 PWs) bands (ev): -16.2409 -16.2409 -16.1732 -16.1732 -9.5151 -9.5151 -9.4186 -9.4186 -5.0733 -5.0733 -4.9379 -4.9379 -3.7800 -3.7800 -3.6486 -3.6486 -3.4804 -3.4804 -3.3778 -3.3778 -3.1274 -3.1274 -2.2212 -2.2212 -0.8613 -0.8613 -0.4590 -0.4590 -0.3420 -0.3420 -0.1493 -0.1493 -0.0934 -0.0934 0.2322 0.2322 0.3710 0.3710 0.5651 0.5651 0.6159 0.6159 0.6830 0.6830 1.3436 1.3436 1.5149 1.5149 1.7806 1.7806 2.0529 2.0529 2.1243 2.1243 2.4262 2.4262 6.6839 6.6839 7.0289 7.0289 7.2346 7.2346 7.7306 7.7306 8.1444 8.1444 8.6869 8.6869 k = 0.0000 0.3000-0.0000 ( 19118 PWs) bands (ev): -16.2405 -16.2405 -16.1729 -16.1729 -9.5153 -9.5153 -9.4136 -9.4136 -5.0769 -5.0769 -4.9377 -4.9377 -3.7859 -3.7859 -3.6590 -3.6590 -3.4835 -3.4835 -3.3832 -3.3832 -3.1649 -3.1649 -2.2209 -2.2209 -0.8634 -0.8634 -0.4782 -0.4782 -0.3601 -0.3601 -0.1492 -0.1492 -0.0937 -0.0937 0.2289 0.2289 0.3722 0.3722 0.6155 0.6155 0.6366 0.6366 0.7080 0.7080 1.3449 1.3449 1.5299 1.5299 1.7898 1.7898 2.1020 2.1020 2.1772 2.1772 2.4184 2.4184 6.6394 6.6394 6.9749 6.9749 7.1487 7.1487 7.7552 7.7552 8.1368 8.1368 8.6585 8.6585 k = 0.0000 0.3167-0.0000 ( 19126 PWs) bands (ev): -16.2400 -16.2400 -16.1726 -16.1726 -9.5157 -9.5157 -9.4086 -9.4086 -5.0803 -5.0803 -4.9375 -4.9375 -3.7914 -3.7914 -3.6709 -3.6709 -3.4864 -3.4864 -3.3899 -3.3899 -3.1961 -3.1961 -2.2206 -2.2206 -0.8653 -0.8653 -0.4964 -0.4964 -0.3773 -0.3773 -0.1491 -0.1491 -0.0940 -0.0940 0.2259 0.2259 0.3728 0.3728 0.6156 0.6156 0.6596 0.6596 0.7789 0.7789 1.3469 1.3469 1.5438 1.5438 1.7961 1.7961 2.1500 2.1500 2.2287 2.2287 2.4108 2.4108 6.5944 6.5944 6.9232 6.9232 7.0669 7.0669 7.7796 7.7796 8.1269 8.1269 8.6328 8.6328 k = 0.0000 0.3333-0.0000 ( 19134 PWs) bands (ev): -16.2396 -16.2396 -16.1723 -16.1723 -9.5162 -9.5162 -9.4037 -9.4037 -5.0835 -5.0835 -4.9374 -4.9374 -3.7966 -3.7966 -3.6843 -3.6843 -3.4890 -3.4890 -3.3978 -3.3978 -3.2212 -3.2212 -2.2203 -2.2203 -0.8670 -0.8670 -0.5134 -0.5134 -0.3934 -0.3934 -0.1490 -0.1490 -0.0943 -0.0943 0.2234 0.2234 0.3732 0.3732 0.6156 0.6156 0.6651 0.6651 0.8646 0.8646 1.3496 1.3496 1.5565 1.5565 1.7994 1.7994 2.1962 2.1962 2.2781 2.2781 2.4038 2.4038 6.5494 6.5494 6.8743 6.8743 6.9899 6.9899 7.8034 7.8034 8.1149 8.1149 8.6097 8.6097 k = 0.0000 0.3500-0.0000 ( 19134 PWs) bands (ev): -16.2392 -16.2392 -16.1721 -16.1721 -9.5166 -9.5166 -9.3990 -9.3990 -5.0864 -5.0864 -4.9374 -4.9374 -3.8014 -3.8014 -3.6989 -3.6989 -3.4914 -3.4914 -3.4064 -3.4064 -3.2406 -3.2406 -2.2200 -2.2200 -0.8686 -0.8686 -0.5291 -0.5291 -0.4083 -0.4083 -0.1489 -0.1489 -0.0946 -0.0946 0.2211 0.2211 0.3735 0.3735 0.6155 0.6155 0.6674 0.6674 0.9501 0.9501 1.3529 1.3529 1.5682 1.5682 1.7995 1.7995 2.2394 2.2394 2.3245 2.3245 2.3982 2.3982 6.5054 6.5054 6.8287 6.8287 6.9181 6.9181 7.8266 7.8266 8.1014 8.1014 8.5891 8.5891 k = 0.0000 0.3667-0.0000 ( 19134 PWs) bands (ev): -16.2388 -16.2388 -16.1719 -16.1719 -9.5172 -9.5172 -9.3945 -9.3945 -5.0891 -5.0891 -4.9374 -4.9374 -3.8058 -3.8058 -3.7141 -3.7141 -3.4935 -3.4935 -3.4153 -3.4153 -3.2552 -3.2552 -2.2197 -2.2197 -0.8700 -0.8700 -0.5434 -0.5434 -0.4218 -0.4218 -0.1488 -0.1488 -0.0948 -0.0948 0.2191 0.2191 0.3737 0.3737 0.6155 0.6155 0.6687 0.6687 1.0325 1.0325 1.3570 1.3570 1.5786 1.5786 1.7961 1.7961 2.2783 2.2783 2.3650 2.3650 2.3975 2.3975 6.4632 6.4632 6.7866 6.7866 6.8524 6.8524 7.8488 7.8488 8.0868 8.0868 8.5709 8.5709 k = 0.0000 0.3833-0.0000 ( 19152 PWs) bands (ev): -16.2385 -16.2385 -16.1716 -16.1716 -9.5177 -9.5177 -9.3904 -9.3904 -5.0915 -5.0915 -4.9375 -4.9375 -3.8096 -3.8096 -3.7294 -3.7294 -3.4954 -3.4954 -3.4238 -3.4238 -3.2659 -3.2659 -2.2195 -2.2195 -0.8712 -0.8712 -0.5562 -0.5562 -0.4341 -0.4341 -0.1487 -0.1487 -0.0951 -0.0951 0.2175 0.2175 0.3739 0.3739 0.6155 0.6155 0.6696 0.6696 1.1103 1.1103 1.3620 1.3620 1.5879 1.5879 1.7889 1.7889 2.3101 2.3101 2.3852 2.3852 2.4178 2.4178 6.4236 6.4236 6.7482 6.7482 6.7933 6.7933 7.8698 7.8698 8.0716 8.0716 8.5550 8.5550 k = 0.0000 0.4000-0.0000 ( 19154 PWs) bands (ev): -16.2382 -16.2382 -16.1715 -16.1715 -9.5182 -9.5182 -9.3867 -9.3867 -5.0936 -5.0936 -4.9375 -4.9375 -3.8128 -3.8128 -3.7443 -3.7443 -3.4971 -3.4971 -3.4314 -3.4314 -3.2737 -3.2737 -2.2193 -2.2193 -0.8722 -0.8722 -0.5675 -0.5675 -0.4448 -0.4448 -0.1487 -0.1487 -0.0953 -0.0953 0.2161 0.2161 0.3740 0.3740 0.6155 0.6155 0.6702 0.6702 1.1820 1.1820 1.3688 1.3688 1.5959 1.5959 1.7778 1.7778 2.3302 2.3302 2.3965 2.3965 2.4514 2.4514 6.3874 6.3874 6.7129 6.7129 6.7423 6.7423 7.8894 7.8894 8.0564 8.0564 8.5414 8.5414 k = 0.0000 0.4167-0.0000 ( 19162 PWs) bands (ev): -16.2379 -16.2379 -16.1713 -16.1713 -9.5186 -9.5186 -9.3834 -9.3834 -5.0955 -5.0955 -4.9376 -4.9376 -3.8154 -3.8154 -3.7583 -3.7583 -3.4985 -3.4985 -3.4380 -3.4380 -3.2794 -3.2794 -2.2192 -2.2192 -0.8730 -0.8730 -0.5771 -0.5771 -0.4540 -0.4540 -0.1486 -0.1486 -0.0954 -0.0954 0.2149 0.2149 0.3741 0.3741 0.6155 0.6155 0.6707 0.6707 1.2448 1.2448 1.3794 1.3794 1.6027 1.6027 1.7627 1.7627 2.3377 2.3377 2.4144 2.4144 2.4826 2.4826 6.3553 6.3553 6.6790 6.6790 6.7018 6.7018 7.9074 7.9074 8.0415 8.0415 8.5300 8.5300 k = 0.0000 0.4333-0.0000 ( 19152 PWs) bands (ev): -16.2377 -16.2377 -16.1712 -16.1712 -9.5190 -9.5190 -9.3807 -9.3807 -5.0970 -5.0970 -4.9377 -4.9377 -3.8173 -3.8173 -3.7707 -3.7707 -3.4997 -3.4997 -3.4434 -3.4434 -3.2834 -3.2834 -2.2191 -2.2191 -0.8737 -0.8737 -0.5851 -0.5851 -0.4616 -0.4616 -0.1486 -0.1486 -0.0956 -0.0956 0.2140 0.2140 0.3742 0.3742 0.6155 0.6155 0.6710 0.6710 1.2932 1.2932 1.3986 1.3986 1.6081 1.6081 1.7440 1.7440 2.3387 2.3387 2.4346 2.4346 2.5092 2.5092 6.3281 6.3281 6.6461 6.6461 6.6729 6.6729 7.9239 7.9239 8.0272 8.0272 8.5207 8.5207 k = 0.0000 0.4500-0.0000 ( 19130 PWs) bands (ev): -16.2376 -16.2376 -16.1711 -16.1711 -9.5193 -9.5193 -9.3785 -9.3785 -5.0981 -5.0981 -4.9378 -4.9378 -3.8184 -3.8184 -3.7812 -3.7812 -3.5006 -3.5006 -3.4475 -3.4475 -3.2862 -3.2862 -2.2190 -2.2190 -0.8742 -0.8742 -0.5914 -0.5914 -0.4676 -0.4676 -0.1486 -0.1486 -0.0957 -0.0957 0.2133 0.2133 0.3743 0.3743 0.6155 0.6155 0.6713 0.6713 1.3217 1.3217 1.4308 1.4308 1.6119 1.6119 1.7222 1.7222 2.3375 2.3375 2.4525 2.4525 2.5305 2.5305 6.3062 6.3062 6.6179 6.6179 6.6524 6.6524 7.9389 7.9389 8.0138 8.0138 8.5135 8.5135 k = 0.0000 0.4667-0.0000 ( 19132 PWs) bands (ev): -16.2374 -16.2374 -16.1710 -16.1710 -9.5195 -9.5195 -9.3770 -9.3770 -5.0990 -5.0990 -4.9378 -4.9378 -3.8187 -3.8187 -3.7893 -3.7893 -3.5012 -3.5012 -3.4504 -3.4504 -3.2880 -3.2880 -2.2189 -2.2189 -0.8745 -0.8745 -0.5959 -0.5959 -0.4719 -0.4719 -0.1486 -0.1486 -0.0958 -0.0958 0.2127 0.2127 0.3744 0.3744 0.6155 0.6155 0.6715 0.6715 1.3350 1.3350 1.4693 1.4693 1.6139 1.6139 1.6992 1.6992 2.3360 2.3360 2.4661 2.4661 2.5460 2.5460 6.2903 6.2903 6.5969 6.5969 6.6383 6.6383 7.9526 7.9526 8.0011 8.0011 8.5083 8.5083 k = 0.0000 0.4833-0.0000 ( 19118 PWs) bands (ev): -16.2374 -16.2374 -16.1709 -16.1709 -9.5197 -9.5197 -9.3760 -9.3760 -5.0995 -5.0995 -4.9379 -4.9379 -3.8186 -3.8186 -3.7946 -3.7946 -3.5016 -3.5016 -3.4522 -3.4522 -3.2891 -3.2891 -2.2188 -2.2188 -0.8747 -0.8747 -0.5986 -0.5986 -0.4745 -0.4745 -0.1486 -0.1486 -0.0958 -0.0958 0.2124 0.2124 0.3744 0.3744 0.6155 0.6155 0.6716 0.6716 1.3407 1.3407 1.5021 1.5021 1.6136 1.6136 1.6797 1.6797 2.3349 2.3349 2.4746 2.4746 2.5554 2.5554 6.2805 6.2805 6.5840 6.5840 6.6299 6.6299 7.9652 7.9652 7.9891 7.9891 8.5053 8.5053 k = 0.0000 0.5000-0.0000 ( 19112 PWs) bands (ev): -16.2373 -16.2373 -16.1709 -16.1709 -9.5197 -9.5197 -9.3757 -9.3757 -5.0997 -5.0997 -4.9379 -4.9379 -3.8185 -3.8185 -3.7965 -3.7965 -3.5017 -3.5017 -3.4527 -3.4527 -3.2894 -3.2894 -2.2188 -2.2188 -0.8748 -0.8748 -0.5995 -0.5995 -0.4753 -0.4753 -0.1486 -0.1486 -0.0958 -0.0958 0.2123 0.2123 0.3744 0.3744 0.6155 0.6155 0.6716 0.6716 1.3423 1.3423 1.5159 1.5159 1.6125 1.6125 1.6715 1.6715 2.3345 2.3345 2.4774 2.4774 2.5586 2.5586 6.2773 6.2773 6.5797 6.5797 6.6272 6.6272 7.9765 7.9765 7.9780 7.9780 8.5042 8.5042 k = 0.0000 0.5000-0.0000 ( 19112 PWs) bands (ev): -16.2373 -16.2373 -16.1709 -16.1709 -9.5197 -9.5197 -9.3757 -9.3757 -5.0997 -5.0997 -4.9379 -4.9379 -3.8185 -3.8185 -3.7965 -3.7965 -3.5017 -3.5017 -3.4527 -3.4527 -3.2894 -3.2894 -2.2188 -2.2188 -0.8748 -0.8748 -0.5995 -0.5995 -0.4753 -0.4753 -0.1486 -0.1486 -0.0958 -0.0958 0.2123 0.2123 0.3744 0.3744 0.6155 0.6155 0.6716 0.6716 1.3423 1.3423 1.5159 1.5159 1.6125 1.6125 1.6715 1.6715 2.3345 2.3345 2.4774 2.4774 2.5586 2.5586 6.2773 6.2773 6.5797 6.5797 6.6272 6.6272 7.9765 7.9765 7.9780 7.9780 8.5042 8.5042 k = 0.0167 0.5000-0.0000 ( 19126 PWs) bands (ev): -16.2373 -16.2373 -16.1709 -16.1709 -9.5194 -9.5194 -9.3757 -9.3757 -5.0999 -5.0999 -4.9377 -4.9377 -3.8191 -3.8191 -3.7959 -3.7959 -3.5022 -3.5022 -3.4527 -3.4527 -3.2895 -3.2895 -2.2275 -2.2275 -0.8648 -0.8648 -0.5992 -0.5992 -0.4752 -0.4752 -0.1500 -0.1500 -0.0969 -0.0969 0.2124 0.2124 0.3735 0.3735 0.6155 0.6155 0.6717 0.6717 1.3451 1.3451 1.5160 1.5160 1.6152 1.6152 1.6723 1.6723 2.3342 2.3342 2.4778 2.4778 2.5588 2.5588 6.2741 6.2741 6.5754 6.5754 6.6257 6.6257 7.9771 7.9771 7.9824 7.9824 8.5038 8.5038 k = 0.0333 0.5000-0.0000 ( 19130 PWs) bands (ev): -16.2373 -16.2373 -16.1708 -16.1708 -9.5185 -9.5185 -9.3759 -9.3759 -5.1007 -5.1007 -4.9373 -4.9373 -3.8208 -3.8208 -3.7941 -3.7941 -3.5036 -3.5036 -3.4527 -3.4527 -3.2897 -3.2897 -2.2527 -2.2527 -0.8356 -0.8356 -0.5986 -0.5986 -0.4750 -0.4750 -0.1542 -0.1542 -0.0999 -0.0999 0.2124 0.2124 0.3707 0.3707 0.6156 0.6156 0.6718 0.6718 1.3532 1.3532 1.5162 1.5162 1.6233 1.6233 1.6747 1.6747 2.3333 2.3333 2.4789 2.4789 2.5596 2.5596 6.2647 6.2647 6.5624 6.5624 6.6215 6.6215 7.9793 7.9793 7.9954 7.9954 8.5026 8.5026 k = 0.0500 0.5000-0.0000 ( 19134 PWs) bands (ev): -16.2371 -16.2371 -16.1708 -16.1708 -9.5169 -9.5169 -9.3763 -9.3763 -5.1020 -5.1020 -4.9366 -4.9366 -3.8233 -3.8233 -3.7916 -3.7916 -3.5059 -3.5059 -3.4526 -3.4526 -3.2901 -3.2901 -2.2923 -2.2923 -0.7894 -0.7894 -0.5975 -0.5975 -0.4745 -0.4745 -0.1609 -0.1609 -0.1050 -0.1050 0.2124 0.2124 0.3664 0.3664 0.6157 0.6157 0.6721 0.6721 1.3663 1.3663 1.5165 1.5165 1.6361 1.6361 1.6793 1.6793 2.3317 2.3317 2.4807 2.4807 2.5610 2.5610 6.2493 6.2493 6.5411 6.5411 6.6145 6.6145 7.9829 7.9829 8.0164 8.0164 8.5008 8.5008 k = 0.0667 0.5000-0.0000 ( 19158 PWs) bands (ev): -16.2370 -16.2370 -16.1707 -16.1707 -9.5148 -9.5148 -9.3767 -9.3767 -5.1038 -5.1038 -4.9356 -4.9356 -3.8262 -3.8262 -3.7885 -3.7885 -3.5090 -3.5090 -3.4526 -3.4526 -3.2905 -3.2905 -2.3435 -2.3435 -0.7293 -0.7293 -0.5960 -0.5960 -0.4739 -0.4739 -0.1699 -0.1699 -0.1120 -0.1120 0.2125 0.2125 0.3607 0.3607 0.6158 0.6158 0.6724 0.6724 1.3838 1.3838 1.5169 1.5169 1.6523 1.6523 1.6874 1.6874 2.3295 2.3295 2.4833 2.4833 2.5628 2.5628 6.2280 6.2280 6.5124 6.5124 6.6045 6.6045 7.9879 7.9879 8.0442 8.0442 8.4968 8.4968 k = 0.0833 0.5000-0.0000 ( 19146 PWs) bands (ev): -16.2368 -16.2368 -16.1705 -16.1705 -9.5121 -9.5121 -9.3773 -9.3773 -5.1060 -5.1060 -4.9344 -4.9344 -3.8295 -3.8295 -3.7850 -3.7850 -3.5130 -3.5130 -3.4526 -3.4526 -3.2911 -3.2911 -2.4034 -2.4034 -0.6589 -0.6589 -0.5937 -0.5937 -0.4731 -0.4731 -0.1805 -0.1805 -0.1207 -0.1207 0.2126 0.2126 0.3541 0.3541 0.6160 0.6160 0.6729 0.6729 1.4049 1.4049 1.5175 1.5175 1.6689 1.6689 1.7020 1.7020 2.3267 2.3267 2.4866 2.4866 2.5653 2.5653 6.2012 6.2012 6.4772 6.4772 6.5909 6.5909 7.9945 7.9945 8.0778 8.0778 8.4859 8.4859 k = 0.1000 0.5000-0.0000 ( 19130 PWs) bands (ev): -16.2365 -16.2365 -16.1704 -16.1704 -9.5089 -9.5089 -9.3780 -9.3780 -5.1086 -5.1086 -4.9330 -4.9330 -3.8331 -3.8331 -3.7811 -3.7811 -3.5176 -3.5176 -3.4528 -3.4528 -3.2918 -3.2918 -2.4696 -2.4696 -0.5975 -0.5975 -0.5747 -0.5747 -0.4721 -0.4721 -0.1918 -0.1918 -0.1312 -0.1312 0.2128 0.2128 0.3469 0.3469 0.6162 0.6162 0.6734 0.6734 1.4285 1.4285 1.5182 1.5182 1.6834 1.6834 1.7257 1.7257 2.3232 2.3232 2.4906 2.4906 2.5682 2.5682 6.1695 6.1695 6.4369 6.4369 6.5733 6.5733 8.0029 8.0029 8.1158 8.1158 8.4696 8.4696 k = 0.1167 0.5000-0.0000 ( 19154 PWs) bands (ev): -16.2363 -16.2363 -16.1702 -16.1702 -9.5051 -9.5051 -9.3788 -9.3788 -5.1116 -5.1116 -4.9314 -4.9314 -3.8369 -3.8369 -3.7769 -3.7769 -3.5230 -3.5230 -3.4530 -3.4530 -3.2926 -3.2926 -2.5399 -2.5399 -0.5919 -0.5919 -0.4963 -0.4963 -0.4707 -0.4707 -0.2019 -0.2019 -0.1429 -0.1429 0.2129 0.2129 0.3394 0.3394 0.6165 0.6165 0.6740 0.6740 1.4535 1.4535 1.5190 1.5190 1.6976 1.6976 1.7568 1.7568 2.3190 2.3190 2.4953 2.4953 2.5716 2.5716 6.1332 6.1332 6.3924 6.3924 6.5511 6.5511 8.0132 8.0132 8.1570 8.1570 8.4504 8.4504 k = 0.1333 0.5000-0.0000 ( 19160 PWs) bands (ev): -16.2360 -16.2360 -16.1700 -16.1700 -9.5008 -9.5008 -9.3797 -9.3797 -5.1149 -5.1149 -4.9296 -4.9296 -3.8409 -3.8409 -3.7724 -3.7724 -3.5289 -3.5289 -3.4536 -3.4536 -3.2934 -3.2934 -2.6126 -2.6126 -0.5894 -0.5894 -0.4701 -0.4701 -0.4165 -0.4165 -0.2066 -0.2066 -0.1549 -0.1549 0.2131 0.2131 0.3321 0.3321 0.6168 0.6168 0.6747 0.6747 1.4784 1.4784 1.5199 1.5199 1.7139 1.7139 1.7933 1.7933 2.3142 2.3142 2.5007 2.5007 2.5756 2.5756 6.0929 6.0929 6.3447 6.3447 6.5240 6.5240 8.0256 8.0256 8.2003 8.2003 8.4293 8.4293 k = 0.1500 0.5000-0.0000 ( 19148 PWs) bands (ev): -16.2356 -16.2356 -16.1697 -16.1697 -9.4962 -9.4962 -9.3807 -9.3807 -5.1185 -5.1185 -4.9277 -4.9277 -3.8451 -3.8451 -3.7677 -3.7677 -3.5352 -3.5352 -3.4544 -3.4544 -3.2943 -3.2943 -2.6866 -2.6866 -0.5871 -0.5871 -0.4687 -0.4687 -0.3550 -0.3550 -0.1978 -0.1978 -0.1611 -0.1611 0.2133 0.2133 0.3250 0.3250 0.6172 0.6172 0.6755 0.6755 1.5018 1.5018 1.5212 1.5212 1.7340 1.7340 1.8338 1.8338 2.3087 2.3087 2.5066 2.5066 2.5800 2.5800 6.0490 6.0490 6.2948 6.2948 6.4917 6.4917 8.0404 8.0404 8.2443 8.2443 8.4068 8.4068 k = 0.1667 0.5000-0.0000 ( 19144 PWs) bands (ev): -16.2352 -16.2352 -16.1695 -16.1695 -9.4911 -9.4911 -9.3818 -9.3818 -5.1223 -5.1223 -4.9257 -4.9257 -3.8494 -3.8494 -3.7626 -3.7626 -3.5420 -3.5420 -3.4555 -3.4555 -3.2952 -3.2952 -2.7607 -2.7607 -0.5850 -0.5850 -0.4674 -0.4674 -0.3295 -0.3295 -0.1968 -0.1968 -0.1223 -0.1223 0.2136 0.2136 0.3183 0.3183 0.6176 0.6176 0.6764 0.6764 1.5198 1.5198 1.5253 1.5253 1.7587 1.7587 1.8774 1.8774 2.3026 2.3026 2.5132 2.5132 2.5849 2.5849 6.0022 6.0022 6.2435 6.2435 6.4542 6.4542 8.0578 8.0578 8.2877 8.2877 8.3835 8.3835 k = 0.1833 0.5000-0.0000 ( 19138 PWs) bands (ev): -16.2349 -16.2349 -16.1692 -16.1692 -9.4857 -9.4857 -9.3830 -9.3830 -5.1262 -5.1262 -4.9236 -4.9236 -3.8539 -3.8539 -3.7572 -3.7572 -3.5490 -3.5490 -3.4570 -3.4570 -3.2961 -3.2961 -2.8342 -2.8342 -0.5832 -0.5832 -0.4661 -0.4661 -0.3305 -0.3305 -0.2105 -0.2105 -0.0415 -0.0415 0.2141 0.2141 0.3123 0.3123 0.6180 0.6180 0.6773 0.6773 1.5227 1.5227 1.5414 1.5414 1.7883 1.7883 1.9237 1.9237 2.2960 2.2960 2.5204 2.5204 2.5902 2.5902 5.9530 5.9530 6.1915 6.1915 6.4117 6.4117 8.0778 8.0778 8.3268 8.3268 8.3625 8.3625 k = 0.2000 0.5000-0.0000 ( 19158 PWs) bands (ev): -16.2344 -16.2344 -16.1690 -16.1690 -9.4800 -9.4800 -9.3842 -9.3842 -5.1303 -5.1303 -4.9214 -4.9214 -3.8586 -3.8586 -3.7515 -3.7515 -3.5562 -3.5562 -3.4590 -3.4590 -3.2970 -3.2970 -2.9063 -2.9063 -0.5818 -0.5818 -0.4650 -0.4650 -0.3414 -0.3414 -0.2269 -0.2269 0.0523 0.0523 0.2149 0.2149 0.3068 0.3068 0.6185 0.6185 0.6783 0.6783 1.5242 1.5242 1.5558 1.5558 1.8223 1.8223 1.9719 1.9719 2.2887 2.2887 2.5282 2.5282 2.5959 2.5959 5.9018 5.9018 6.1393 6.1393 6.3646 6.3646 8.1003 8.1003 8.3266 8.3266 8.3780 8.3780 k = 0.2167 0.5000-0.0000 ( 19154 PWs) bands (ev): -16.2340 -16.2340 -16.1687 -16.1687 -9.4740 -9.4740 -9.3854 -9.3854 -5.1344 -5.1344 -4.9192 -4.9192 -3.8633 -3.8633 -3.7455 -3.7455 -3.5634 -3.5634 -3.4615 -3.4615 -3.2978 -3.2978 -2.9766 -2.9766 -0.5810 -0.5810 -0.4640 -0.4640 -0.3554 -0.3554 -0.2441 -0.2441 0.1488 0.1488 0.2175 0.2175 0.3022 0.3022 0.6190 0.6190 0.6794 0.6794 1.5257 1.5257 1.5674 1.5674 1.8598 1.8598 2.0213 2.0213 2.2812 2.2812 2.5365 2.5365 2.6019 2.6019 5.8492 5.8492 6.0875 6.0875 6.3134 6.3134 8.1251 8.1251 8.3021 8.3021 8.4147 8.4147 k = 0.2333 0.5000-0.0000 ( 19154 PWs) bands (ev): -16.2336 -16.2336 -16.1684 -16.1684 -9.4679 -9.4679 -9.3867 -9.3867 -5.1385 -5.1385 -4.9170 -4.9170 -3.8681 -3.8681 -3.7392 -3.7392 -3.5707 -3.5707 -3.4645 -3.4645 -3.2986 -3.2986 -3.0445 -3.0445 -0.5809 -0.5809 -0.4633 -0.4633 -0.3698 -0.3698 -0.2615 -0.2615 0.2077 0.2077 0.2579 0.2579 0.2993 0.2993 0.6197 0.6197 0.6805 0.6805 1.5273 1.5273 1.5767 1.5767 1.8996 1.8996 2.0713 2.0713 2.2737 2.2737 2.5455 2.5455 2.6081 2.6081 5.7957 5.7957 6.0365 6.0365 6.2588 6.2588 8.1518 8.1518 8.2757 8.2757 8.4496 8.4496 k = 0.2500 0.5000-0.0000 ( 19162 PWs) bands (ev): -16.2331 -16.2331 -16.1681 -16.1681 -9.4617 -9.4617 -9.3880 -9.3880 -5.1427 -5.1427 -4.9149 -4.9149 -3.8730 -3.8730 -3.7325 -3.7325 -3.5778 -3.5778 -3.4680 -3.4680 -3.2994 -3.2994 -3.1098 -3.1098 -0.5818 -0.5818 -0.4632 -0.4632 -0.3834 -0.3834 -0.2788 -0.2788 0.2119 0.2119 0.2921 0.2921 0.3580 0.3580 0.6205 0.6205 0.6817 0.6817 1.5290 1.5290 1.5841 1.5841 1.9405 1.9405 2.1204 2.1204 2.2674 2.2674 2.5549 2.5549 2.6145 2.6145 5.7417 5.7417 5.9868 5.9868 6.2017 6.2017 8.1798 8.1798 8.2490 8.2490 8.4810 8.4810 k = 0.2667 0.5000-0.0000 ( 19166 PWs) bands (ev): -16.2327 -16.2327 -16.1678 -16.1678 -9.4555 -9.4555 -9.3893 -9.3893 -5.1467 -5.1467 -4.9127 -4.9127 -3.8779 -3.8779 -3.7256 -3.7256 -3.5848 -3.5848 -3.4722 -3.4722 -3.3002 -3.3002 -3.1719 -3.1719 -0.5838 -0.5838 -0.4638 -0.4638 -0.3952 -0.3952 -0.2957 -0.2957 0.2128 0.2128 0.2897 0.2897 0.4556 0.4556 0.6219 0.6219 0.6831 0.6831 1.5309 1.5309 1.5900 1.5900 1.9812 1.9812 2.1655 2.1655 2.2652 2.2652 2.5650 2.5650 2.6210 2.6210 5.6878 5.6878 5.9387 5.9387 6.1428 6.1428 8.2061 8.2061 8.2252 8.2252 8.5083 8.5083 k = 0.2833 0.5000-0.0000 ( 19172 PWs) bands (ev): -16.2323 -16.2323 -16.1675 -16.1675 -9.4493 -9.4493 -9.3905 -9.3905 -5.1507 -5.1507 -4.9106 -4.9106 -3.8828 -3.8828 -3.7185 -3.7185 -3.5915 -3.5915 -3.4768 -3.4768 -3.3014 -3.3014 -3.2303 -3.2303 -0.5871 -0.5871 -0.4653 -0.4653 -0.4046 -0.4046 -0.3121 -0.3121 0.2133 0.2133 0.2871 0.2871 0.5498 0.5498 0.6257 0.6257 0.6848 0.6848 1.5329 1.5329 1.5949 1.5949 2.0199 2.0199 2.1978 2.1978 2.2761 2.2761 2.5756 2.5756 2.6276 2.6276 5.6343 5.6343 5.8925 5.8925 6.0831 6.0831 8.1926 8.1926 8.2420 8.2420 8.5312 8.5312 k = 0.3000 0.5000-0.0000 ( 19168 PWs) bands (ev): -16.2318 -16.2318 -16.1672 -16.1672 -9.4432 -9.4432 -9.3918 -9.3918 -5.1545 -5.1545 -4.9085 -4.9085 -3.8876 -3.8876 -3.7111 -3.7111 -3.5978 -3.5978 -3.4820 -3.4820 -3.3066 -3.3066 -3.2811 -3.2811 -0.5918 -0.5918 -0.4676 -0.4676 -0.4115 -0.4115 -0.3276 -0.3276 0.2137 0.2137 0.2848 0.2848 0.6096 0.6096 0.6583 0.6583 0.6900 0.6900 1.5351 1.5351 1.5989 1.5989 2.0544 2.0544 2.2103 2.2103 2.3081 2.3081 2.5868 2.5868 2.6342 2.6342 5.5818 5.5818 5.8486 5.8486 6.0233 6.0233 8.1667 8.1667 8.2718 8.2718 8.5495 8.5495 k = 0.3167 0.5000-0.0000 ( 19180 PWs) bands (ev): -16.2314 -16.2314 -16.1669 -16.1669 -9.4373 -9.4373 -9.3930 -9.3930 -5.1581 -5.1581 -4.9065 -4.9065 -3.8923 -3.8923 -3.7035 -3.7035 -3.6038 -3.6038 -3.4878 -3.4878 -3.3426 -3.3426 -3.2972 -3.2972 -0.5976 -0.5976 -0.4705 -0.4705 -0.4160 -0.4160 -0.3421 -0.3421 0.2140 0.2140 0.2829 0.2829 0.6170 0.6170 0.6831 0.6831 0.7529 0.7529 1.5376 1.5376 1.6022 1.6022 2.0807 2.0807 2.2156 2.2156 2.3513 2.3513 2.5985 2.5985 2.6408 2.6408 5.5308 5.5308 5.8071 5.8071 5.9644 5.9644 8.1412 8.1412 8.3020 8.3020 8.5633 8.5633 k = 0.3333 0.5000-0.0000 ( 19186 PWs) bands (ev): -16.2310 -16.2310 -16.1667 -16.1667 -9.4317 -9.4317 -9.3941 -9.3941 -5.1615 -5.1615 -4.9047 -4.9047 -3.8969 -3.8969 -3.6957 -3.6957 -3.6094 -3.6094 -3.4939 -3.4939 -3.3890 -3.3890 -3.2988 -3.2988 -0.6045 -0.6045 -0.4736 -0.4736 -0.4186 -0.4186 -0.3555 -0.3555 0.2143 0.2143 0.2813 0.2813 0.6187 0.6187 0.6854 0.6854 0.8403 0.8403 1.5406 1.5406 1.6050 1.6050 2.0944 2.0944 2.2258 2.2258 2.3967 2.3967 2.6106 2.6106 2.6474 2.6474 5.4817 5.4817 5.7683 5.7683 5.9072 5.9072 8.1166 8.1166 8.3317 8.3317 8.5730 8.5730 k = 0.3500 0.5000-0.0000 ( 19194 PWs) bands (ev): -16.2307 -16.2307 -16.1664 -16.1664 -9.4263 -9.4263 -9.3952 -9.3952 -5.1647 -5.1647 -4.9029 -4.9029 -3.9012 -3.9012 -3.6878 -3.6878 -3.6145 -3.6145 -3.5006 -3.5006 -3.4323 -3.4323 -3.2993 -3.2993 -0.6121 -0.6121 -0.4765 -0.4765 -0.4200 -0.4200 -0.3676 -0.3676 0.2145 0.2145 0.2799 0.2799 0.6195 0.6195 0.6867 0.6867 0.9254 0.9254 1.5440 1.5440 1.6073 1.6073 2.0944 2.0944 2.2440 2.2440 2.4413 2.4413 2.6230 2.6230 2.6540 2.6540 5.4350 5.4350 5.7323 5.7323 5.8525 5.8525 8.0933 8.0933 8.3603 8.3603 8.5790 8.5790 k = 0.3667 0.5000-0.0000 ( 19178 PWs) bands (ev): -16.2303 -16.2303 -16.1662 -16.1662 -9.4214 -9.4214 -9.3961 -9.3961 -5.1677 -5.1677 -4.9013 -4.9013 -3.9053 -3.9053 -3.6800 -3.6800 -3.6192 -3.6192 -3.5076 -3.5076 -3.4715 -3.4715 -3.2996 -3.2996 -0.6200 -0.6200 -0.4791 -0.4791 -0.4206 -0.4206 -0.3783 -0.3783 0.2147 0.2147 0.2788 0.2788 0.6201 0.6201 0.6878 0.6878 1.0060 1.0060 1.5482 1.5482 1.6093 1.6093 2.0842 2.0842 2.2669 2.2669 2.4837 2.4837 2.6351 2.6351 2.6609 2.6609 5.3913 5.3913 5.6994 5.6994 5.8012 5.8012 8.0716 8.0716 8.3875 8.3875 8.5818 8.5818 k = 0.3833 0.5000-0.0000 ( 19180 PWs) bands (ev): -16.2300 -16.2300 -16.1660 -16.1660 -9.4169 -9.4169 -9.3970 -9.3970 -5.1703 -5.1703 -4.8998 -4.8998 -3.9091 -3.9091 -3.6722 -3.6722 -3.6233 -3.6233 -3.5159 -3.5159 -3.5052 -3.5052 -3.2997 -3.2997 -0.6278 -0.6278 -0.4815 -0.4815 -0.4209 -0.4209 -0.3875 -0.3875 0.2149 0.2149 0.2779 0.2779 0.6206 0.6206 0.6887 0.6887 1.0810 1.0810 1.5533 1.5533 1.6109 1.6109 2.0678 2.0678 2.2906 2.2906 2.5227 2.5227 2.6465 2.6465 2.6685 2.6685 5.3510 5.3510 5.6695 5.6695 5.7542 5.7542 8.0517 8.0517 8.4127 8.4127 8.5821 8.5821 k = 0.4000 0.5000-0.0000 ( 19172 PWs) bands (ev): -16.2297 -16.2297 -16.1658 -16.1658 -9.4129 -9.4129 -9.3977 -9.3977 -5.1726 -5.1726 -4.8985 -4.8985 -3.9125 -3.9125 -3.6648 -3.6648 -3.6269 -3.6269 -3.5378 -3.5378 -3.5206 -3.5206 -3.2997 -3.2997 -0.6351 -0.6351 -0.4836 -0.4836 -0.4210 -0.4210 -0.3951 -0.3951 0.2150 0.2150 0.2771 0.2771 0.6209 0.6209 0.6894 0.6894 1.1493 1.1493 1.5598 1.5598 1.6123 1.6123 2.0476 2.0476 2.3128 2.3128 2.5577 2.5577 2.6564 2.6564 2.6771 2.6771 5.3148 5.3148 5.6427 5.6427 5.7122 5.7122 8.0340 8.0340 8.4357 8.4357 8.5807 8.5807 k = 0.4167 0.5000-0.0000 ( 19164 PWs) bands (ev): -16.2295 -16.2295 -16.1656 -16.1656 -9.4096 -9.4096 -9.3982 -9.3982 -5.1746 -5.1746 -4.8974 -4.8974 -3.9155 -3.9155 -3.6580 -3.6580 -3.6300 -3.6300 -3.5626 -3.5626 -3.5282 -3.5282 -3.2997 -3.2997 -0.6418 -0.6418 -0.4854 -0.4854 -0.4213 -0.4213 -0.4010 -0.4010 0.2152 0.2152 0.2765 0.2765 0.6212 0.6212 0.6901 0.6901 1.2095 1.2095 1.5679 1.5679 1.6136 1.6136 2.0255 2.0255 2.3323 2.3323 2.5877 2.5877 2.6646 2.6646 2.6868 2.6868 5.2830 5.2830 5.6190 5.6190 5.6761 5.6761 8.0186 8.0186 8.4559 8.4559 8.5781 8.5781 k = 0.4333 0.5000-0.0000 ( 19158 PWs) bands (ev): -16.2293 -16.2293 -16.1655 -16.1655 -9.4069 -9.4069 -9.3985 -9.3985 -5.1763 -5.1763 -4.8964 -4.8964 -3.9180 -3.9180 -3.6522 -3.6522 -3.6327 -3.6327 -3.5823 -3.5823 -3.5351 -3.5351 -3.2996 -3.2996 -0.6475 -0.6475 -0.4870 -0.4870 -0.4218 -0.4218 -0.4053 -0.4053 0.2153 0.2153 0.2761 0.2761 0.6214 0.6214 0.6907 0.6907 1.2601 1.2601 1.5779 1.5779 1.6147 1.6147 2.0026 2.0026 2.3484 2.3484 2.6119 2.6119 2.6719 2.6719 2.6965 2.6965 5.2563 5.2563 5.5985 5.5985 5.6467 5.6467 8.0057 8.0057 8.4730 8.4730 8.5750 8.5750 k = 0.4500 0.5000-0.0000 ( 19142 PWs) bands (ev): -16.2291 -16.2291 -16.1654 -16.1654 -9.4050 -9.4050 -9.3985 -9.3985 -5.1776 -5.1776 -4.8957 -4.8957 -3.9200 -3.9200 -3.6482 -3.6482 -3.6350 -3.6350 -3.5962 -3.5962 -3.5414 -3.5414 -3.2996 -3.2996 -0.6521 -0.6521 -0.4884 -0.4884 -0.4226 -0.4226 -0.4080 -0.4080 0.2154 0.2154 0.2758 0.2758 0.6215 0.6215 0.6911 0.6911 1.2999 1.2999 1.5890 1.5890 1.6159 1.6159 1.9807 1.9807 2.3610 2.3610 2.6296 2.6296 2.6788 2.6788 2.7053 2.7053 5.2349 5.2349 5.5812 5.5812 5.6244 5.6244 7.9955 7.9955 8.4867 8.4867 8.5721 8.5721 k = 0.4667 0.5000-0.0000 ( 19146 PWs) bands (ev): -16.2290 -16.2290 -16.1653 -16.1653 -9.4039 -9.4039 -9.3982 -9.3982 -5.1785 -5.1785 -4.8952 -4.8952 -3.9214 -3.9214 -3.6464 -3.6464 -3.6370 -3.6370 -3.6041 -3.6041 -3.5466 -3.5466 -3.2996 -3.2996 -0.6555 -0.6555 -0.4894 -0.4894 -0.4235 -0.4235 -0.4096 -0.4096 0.2154 0.2154 0.2755 0.2755 0.6217 0.6217 0.6914 0.6914 1.3282 1.3282 1.5994 1.5994 1.6177 1.6177 1.9619 1.9619 2.3700 2.3700 2.6409 2.6409 2.6853 2.6853 2.7121 2.7121 5.2194 5.2194 5.5678 5.5678 5.6090 5.6090 7.9881 7.9881 8.4967 8.4967 8.5696 8.5696 k = 0.4833 0.5000-0.0000 ( 19136 PWs) bands (ev): -16.2289 -16.2289 -16.1653 -16.1653 -9.4034 -9.4034 -9.3979 -9.3979 -5.1791 -5.1791 -4.8948 -4.8948 -3.9223 -3.9223 -3.6465 -3.6465 -3.6382 -3.6382 -3.6072 -3.6072 -3.5500 -3.5500 -3.2995 -3.2995 -0.6575 -0.6575 -0.4900 -0.4900 -0.4242 -0.4242 -0.4103 -0.4103 0.2155 0.2155 0.2754 0.2754 0.6217 0.6217 0.6916 0.6916 1.3449 1.3449 1.6060 1.6060 1.6205 1.6205 1.9490 1.9490 2.3754 2.3754 2.6468 2.6468 2.6900 2.6900 2.7165 2.7165 5.2100 5.2100 5.5593 5.5593 5.6002 5.6002 7.9837 7.9837 8.5027 8.5027 8.5680 8.5680 k = 0.5000 0.5000-0.0000 ( 19176 PWs) bands (ev): -16.2289 -16.2289 -16.1652 -16.1652 -9.4033 -9.4033 -9.3978 -9.3978 -5.1793 -5.1793 -4.8947 -4.8947 -3.9226 -3.9226 -3.6469 -3.6469 -3.6385 -3.6385 -3.6079 -3.6079 -3.5513 -3.5513 -3.2995 -3.2995 -0.6582 -0.6582 -0.4903 -0.4903 -0.4244 -0.4244 -0.4105 -0.4105 0.2155 0.2155 0.2753 0.2753 0.6217 0.6217 0.6917 0.6917 1.3504 1.3504 1.6079 1.6079 1.6221 1.6221 1.9443 1.9443 2.3772 2.3772 2.6486 2.6486 2.6917 2.6917 2.7180 2.7180 5.2068 5.2068 5.5564 5.5564 5.5973 5.5973 7.9822 7.9822 8.5048 8.5048 8.5674 8.5674 k = 0.5000 0.5000-0.0000 ( 19176 PWs) bands (ev): -16.2289 -16.2289 -16.1652 -16.1652 -9.4033 -9.4033 -9.3978 -9.3978 -5.1793 -5.1793 -4.8947 -4.8947 -3.9226 -3.9226 -3.6469 -3.6469 -3.6385 -3.6385 -3.6079 -3.6079 -3.5513 -3.5513 -3.2995 -3.2995 -0.6582 -0.6582 -0.4903 -0.4903 -0.4244 -0.4244 -0.4105 -0.4105 0.2155 0.2155 0.2753 0.2753 0.6217 0.6217 0.6917 0.6917 1.3504 1.3504 1.6079 1.6079 1.6221 1.6221 1.9443 1.9443 2.3772 2.3772 2.6486 2.6486 2.6917 2.6917 2.7180 2.7180 5.2068 5.2068 5.5564 5.5564 5.5973 5.5973 7.9822 7.9822 8.5048 8.5048 8.5674 8.5674 k = 0.4884 0.4884-0.0000 ( 19144 PWs) bands (ev): -16.2289 -16.2289 -16.1653 -16.1653 -9.4034 -9.4034 -9.3979 -9.3979 -5.1791 -5.1791 -4.8948 -4.8948 -3.9223 -3.9223 -3.6464 -3.6464 -3.6382 -3.6382 -3.6073 -3.6073 -3.5500 -3.5500 -3.2995 -3.2995 -0.6575 -0.6575 -0.4900 -0.4900 -0.4242 -0.4242 -0.4103 -0.4103 0.2155 0.2155 0.2754 0.2754 0.6217 0.6217 0.6916 0.6916 1.3451 1.3451 1.6047 1.6047 1.6219 1.6219 1.9489 1.9489 2.3755 2.3755 2.6469 2.6469 2.6900 2.6900 2.7165 2.7165 5.2099 5.2099 5.5592 5.5592 5.6001 5.6001 7.9836 7.9836 8.5028 8.5028 8.5680 8.5680 k = 0.4767 0.4767-0.0000 ( 19150 PWs) bands (ev): -16.2290 -16.2290 -16.1653 -16.1653 -9.4038 -9.4038 -9.3983 -9.3983 -5.1785 -5.1785 -4.8952 -4.8952 -3.9215 -3.9215 -3.6453 -3.6453 -3.6373 -3.6373 -3.6054 -3.6054 -3.5464 -3.5464 -3.2996 -3.2996 -0.6555 -0.6555 -0.4894 -0.4894 -0.4234 -0.4234 -0.4097 -0.4097 0.2154 0.2154 0.2755 0.2755 0.6217 0.6217 0.6914 0.6914 1.3301 1.3301 1.5879 1.5879 1.6283 1.6283 1.9615 1.9615 2.3703 2.3703 2.6417 2.6417 2.6848 2.6848 2.7121 2.7121 5.2191 5.2191 5.5678 5.5678 5.6085 5.6085 7.9880 7.9880 8.4967 8.4967 8.5698 8.5698 k = 0.4651 0.4651-0.0000 ( 19156 PWs) bands (ev): -16.2291 -16.2291 -16.1654 -16.1654 -9.4045 -9.4045 -9.3990 -9.3990 -5.1776 -5.1776 -4.8957 -4.8957 -3.9200 -3.9200 -3.6436 -3.6436 -3.6356 -3.6356 -3.6018 -3.6018 -3.5404 -3.5404 -3.2996 -3.2996 -0.6522 -0.6522 -0.4883 -0.4883 -0.4222 -0.4222 -0.4086 -0.4086 0.2154 0.2154 0.2757 0.2757 0.6216 0.6216 0.6911 0.6911 1.3069 1.3069 1.5592 1.5592 1.6405 1.6405 1.9798 1.9798 2.3618 2.3618 2.6331 2.6331 2.6762 2.6762 2.7048 2.7048 5.2344 5.2344 5.5820 5.5820 5.6224 5.6224 7.9951 7.9951 8.4865 8.4865 8.5729 8.5729 k = 0.4535 0.4535-0.0000 ( 19160 PWs) bands (ev): -16.2293 -16.2293 -16.1655 -16.1655 -9.4054 -9.4054 -9.3999 -9.3999 -5.1763 -5.1763 -4.8964 -4.8964 -3.9181 -3.9181 -3.6419 -3.6419 -3.6333 -3.6333 -3.5961 -3.5961 -3.5321 -3.5321 -3.2996 -3.2996 -0.6475 -0.6475 -0.4869 -0.4869 -0.4205 -0.4205 -0.4071 -0.4071 0.2153 0.2153 0.2760 0.2760 0.6214 0.6214 0.6907 0.6907 1.2774 1.2774 1.5224 1.5224 1.6555 1.6555 2.0013 2.0013 2.3503 2.3503 2.6211 2.6211 2.6644 2.6644 2.6946 2.6946 5.2556 5.2556 5.6017 5.6017 5.6419 5.6419 8.0051 8.0051 8.4722 8.4722 8.5775 8.5775 k = 0.4419 0.4419-0.0000 ( 19158 PWs) bands (ev): -16.2295 -16.2295 -16.1656 -16.1656 -9.4067 -9.4067 -9.4010 -9.4010 -5.1747 -5.1747 -4.8973 -4.8973 -3.9156 -3.9156 -3.6403 -3.6403 -3.6305 -3.6305 -3.5880 -3.5880 -3.5216 -3.5216 -3.2995 -3.2995 -0.6416 -0.6416 -0.4851 -0.4851 -0.4183 -0.4183 -0.4051 -0.4051 0.2152 0.2152 0.2765 0.2765 0.6212 0.6212 0.6902 0.6902 1.2429 1.2429 1.4797 1.4797 1.6714 1.6714 2.0241 2.0241 2.3360 2.3360 2.6057 2.6057 2.6494 2.6494 2.6815 2.6815 5.2826 5.2826 5.6268 5.6268 5.6667 5.6667 8.0176 8.0176 8.4539 8.4539 8.5835 8.5835 k = 0.4302 0.4302-0.0000 ( 19160 PWs) bands (ev): -16.2297 -16.2297 -16.1658 -16.1658 -9.4083 -9.4083 -9.4022 -9.4022 -5.1727 -5.1727 -4.8984 -4.8984 -3.9126 -3.9126 -3.6388 -3.6388 -3.6273 -3.6273 -3.5773 -3.5773 -3.5090 -3.5090 -3.2994 -3.2994 -0.6344 -0.6344 -0.4829 -0.4829 -0.4156 -0.4156 -0.4026 -0.4026 0.2151 0.2151 0.2770 0.2770 0.6210 0.6210 0.6895 0.6895 1.2043 1.2043 1.4324 1.4324 1.6872 1.6872 2.0468 2.0468 2.3194 2.3194 2.5871 2.5871 2.6316 2.6316 2.6658 2.6658 5.3151 5.3151 5.6571 5.6571 5.6968 5.6968 8.0327 8.0327 8.4320 8.4320 8.5908 8.5908 k = 0.4186 0.4186-0.0000 ( 19172 PWs) bands (ev): -16.2300 -16.2300 -16.1660 -16.1660 -9.4103 -9.4103 -9.4036 -9.4036 -5.1704 -5.1704 -4.8996 -4.8996 -3.9091 -3.9091 -3.6375 -3.6375 -3.6237 -3.6237 -3.5642 -3.5642 -3.4943 -3.4943 -3.2992 -3.2992 -0.6261 -0.6261 -0.4804 -0.4804 -0.4124 -0.4124 -0.3994 -0.3994 0.2150 0.2150 0.2776 0.2776 0.6207 0.6207 0.6888 0.6888 1.1624 1.1624 1.3814 1.3814 1.7023 1.7023 2.0683 2.0683 2.3011 2.3011 2.5653 2.5653 2.6110 2.6110 2.6475 2.6475 5.3529 5.3529 5.6922 5.6922 5.7322 5.7322 8.0500 8.0500 8.4067 8.4067 8.5992 8.5992 k = 0.4070 0.4070-0.0000 ( 19168 PWs) bands (ev): -16.2303 -16.2303 -16.1662 -16.1662 -9.4126 -9.4126 -9.4051 -9.4051 -5.1678 -5.1678 -4.9010 -4.9010 -3.9051 -3.9051 -3.6361 -3.6361 -3.6197 -3.6197 -3.5487 -3.5487 -3.4776 -3.4776 -3.2987 -3.2987 -0.6166 -0.6166 -0.4776 -0.4776 -0.4088 -0.4088 -0.3955 -0.3955 0.2149 0.2149 0.2783 0.2783 0.6204 0.6204 0.6879 0.6879 1.1175 1.1175 1.3274 1.3274 1.7162 1.7162 2.0873 2.0873 2.2822 2.2822 2.5406 2.5406 2.5879 2.5879 2.6268 2.6268 5.3958 5.3958 5.7320 5.7320 5.7726 5.7726 8.0695 8.0695 8.3786 8.3786 8.6084 8.6084 k = 0.3953 0.3953-0.0000 ( 19176 PWs) bands (ev): -16.2307 -16.2307 -16.1664 -16.1664 -9.4152 -9.4152 -9.4066 -9.4066 -5.1648 -5.1648 -4.9024 -4.9024 -3.9008 -3.9008 -3.6348 -3.6348 -3.6153 -3.6153 -3.5312 -3.5312 -3.4589 -3.4589 -3.2979 -3.2979 -0.6060 -0.6060 -0.4745 -0.4745 -0.4046 -0.4046 -0.3908 -0.3908 0.2149 0.2149 0.2791 0.2791 0.6200 0.6200 0.6870 0.6870 1.0699 1.0699 1.2706 1.2706 1.7284 1.7284 2.1024 2.1024 2.2642 2.2642 2.5129 2.5129 2.5626 2.5626 2.6037 2.6037 5.4434 5.4434 5.7761 5.7761 5.8180 5.8180 8.0908 8.0908 8.3479 8.3479 8.6182 8.6182 k = 0.3837 0.3837-0.0000 ( 19168 PWs) bands (ev): -16.2311 -16.2311 -16.1667 -16.1667 -9.4182 -9.4182 -9.4083 -9.4083 -5.1615 -5.1615 -4.9040 -4.9040 -3.8960 -3.8960 -3.6334 -3.6334 -3.6105 -3.6105 -3.5118 -3.5118 -3.4382 -3.4382 -3.2965 -3.2965 -0.5945 -0.5945 -0.4711 -0.4711 -0.4000 -0.4000 -0.3853 -0.3853 0.2149 0.2149 0.2801 0.2801 0.6196 0.6196 0.6859 0.6859 1.0200 1.0200 1.2116 1.2116 1.7387 1.7387 2.1112 2.1112 2.2495 2.2495 2.4827 2.4827 2.5351 2.5351 2.5785 2.5785 5.4953 5.4953 5.8243 5.8243 5.8682 5.8682 8.1138 8.1138 8.3150 8.3150 8.6283 8.6283 k = 0.3721 0.3721-0.0000 ( 19164 PWs) bands (ev): -16.2315 -16.2315 -16.1670 -16.1670 -9.4214 -9.4214 -9.4100 -9.4100 -5.1580 -5.1580 -4.9057 -4.9057 -3.8909 -3.8909 -3.6320 -3.6320 -3.6053 -3.6053 -3.4909 -3.4909 -3.4155 -3.4155 -3.2944 -3.2944 -0.5820 -0.5820 -0.4674 -0.4674 -0.3950 -0.3950 -0.3790 -0.3790 0.2149 0.2149 0.2812 0.2812 0.6192 0.6192 0.6848 0.6848 0.9679 0.9679 1.1505 1.1505 1.7468 1.7468 2.1111 2.1111 2.2408 2.2408 2.4502 2.4502 2.5058 2.5058 2.5514 2.5514 5.5514 5.5514 5.8761 5.8761 5.9232 5.9232 8.1382 8.1382 8.2804 8.2804 8.6382 8.6382 k = 0.3605 0.3605-0.0000 ( 19170 PWs) bands (ev): -16.2320 -16.2320 -16.1673 -16.1673 -9.4250 -9.4250 -9.4119 -9.4119 -5.1542 -5.1542 -4.9074 -4.9074 -3.8855 -3.8855 -3.6304 -3.6304 -3.5997 -3.5997 -3.4691 -3.4691 -3.3910 -3.3910 -3.2911 -3.2911 -0.5686 -0.5686 -0.4634 -0.4634 -0.3895 -0.3895 -0.3718 -0.3718 0.2150 0.2150 0.2824 0.2824 0.6187 0.6187 0.6835 0.6835 0.9138 0.9138 1.0876 1.0876 1.7524 1.7524 2.1015 2.1015 2.2390 2.2390 2.4157 2.4157 2.4748 2.4748 2.5228 2.5228 5.6112 5.6112 5.9315 5.9315 5.9826 5.9826 8.1638 8.1638 8.2444 8.2444 8.6476 8.6476 k = 0.3488 0.3488-0.0000 ( 19164 PWs) bands (ev): -16.2325 -16.2325 -16.1676 -16.1676 -9.4287 -9.4287 -9.4138 -9.4138 -5.1501 -5.1501 -4.9092 -4.9092 -3.8797 -3.8797 -3.6288 -3.6288 -3.5938 -3.5938 -3.4469 -3.4469 -3.3646 -3.3646 -3.2859 -3.2859 -0.5545 -0.5545 -0.4591 -0.4591 -0.3834 -0.3834 -0.3637 -0.3637 0.2152 0.2152 0.2838 0.2838 0.6180 0.6180 0.6820 0.6820 0.8579 0.8579 1.0231 1.0231 1.7552 1.7552 2.0843 2.0843 2.2413 2.2413 2.3799 2.3799 2.4424 2.4424 2.4931 2.4931 5.6744 5.6744 5.9901 5.9901 6.0463 6.0463 8.1901 8.1901 8.2076 8.2076 8.6560 8.6560 k = 0.3372 0.3372-0.0000 ( 19160 PWs) bands (ev): -16.2330 -16.2330 -16.1680 -16.1680 -9.4327 -9.4327 -9.4157 -9.4157 -5.1457 -5.1457 -4.9110 -4.9110 -3.8737 -3.8737 -3.6272 -3.6272 -3.5876 -3.5876 -3.4254 -3.4254 -3.3364 -3.3364 -3.2778 -3.2778 -0.5398 -0.5398 -0.4543 -0.4543 -0.3768 -0.3768 -0.3549 -0.3549 0.2155 0.2155 0.2854 0.2854 0.6172 0.6172 0.6803 0.6803 0.8004 0.8004 0.9574 0.9574 1.7548 1.7548 2.0630 2.0630 2.2434 2.2434 2.3441 2.3441 2.4089 2.4089 2.4633 2.4633 5.7406 5.7406 6.0519 6.0519 6.1140 6.1140 8.1692 8.1692 8.2180 8.2180 8.6630 8.6630 k = 0.3256 0.3256-0.0000 ( 19160 PWs) bands (ev): -16.2335 -16.2335 -16.1683 -16.1683 -9.4368 -9.4368 -9.4177 -9.4177 -5.1412 -5.1412 -4.9128 -4.9128 -3.8674 -3.8674 -3.6254 -3.6254 -3.5811 -3.5811 -3.4060 -3.4060 -3.3067 -3.3067 -3.2655 -3.2655 -0.5245 -0.5245 -0.4491 -0.4491 -0.3695 -0.3695 -0.3454 -0.3454 0.2159 0.2159 0.2870 0.2870 0.6158 0.6158 0.6780 0.6780 0.7418 0.7418 0.8908 0.8908 1.7512 1.7512 2.0399 2.0399 2.2388 2.2388 2.3115 2.3115 2.3744 2.3744 2.4347 2.4347 5.8094 5.8094 6.1165 6.1165 6.1853 6.1853 8.1310 8.1310 8.2457 8.2457 8.6680 8.6680 k = 0.3140 0.3140-0.0000 ( 19160 PWs) bands (ev): -16.2341 -16.2341 -16.1687 -16.1687 -9.4412 -9.4412 -9.4198 -9.4198 -5.1364 -5.1364 -4.9146 -4.9146 -3.8609 -3.8609 -3.6237 -3.6237 -3.5743 -3.5743 -3.3898 -3.3898 -3.2758 -3.2758 -3.2475 -3.2475 -0.5088 -0.5088 -0.4434 -0.4434 -0.3616 -0.3616 -0.3352 -0.3352 0.2164 0.2164 0.2889 0.2889 0.6125 0.6125 0.6744 0.6744 0.6837 0.6837 0.8242 0.8242 1.7439 1.7439 2.0167 2.0167 2.2195 2.2195 2.2865 2.2865 2.3394 2.3394 2.4101 2.4101 5.8805 5.8805 6.1841 6.1841 6.2599 6.2599 8.0924 8.0924 8.2740 8.2740 8.6706 8.6706 k = 0.3023 0.3023-0.0000 ( 19158 PWs) bands (ev): -16.2347 -16.2347 -16.1691 -16.1691 -9.4456 -9.4456 -9.4219 -9.4219 -5.1315 -5.1315 -4.9164 -4.9164 -3.8542 -3.8542 -3.6219 -3.6219 -3.5673 -3.5673 -3.3776 -3.3776 -3.2438 -3.2438 -3.2228 -3.2228 -0.4927 -0.4927 -0.4371 -0.4371 -0.3529 -0.3529 -0.3245 -0.3245 0.2171 0.2171 0.2908 0.2908 0.5964 0.5964 0.6369 0.6369 0.6670 0.6670 0.7605 0.7605 1.7329 1.7329 1.9942 1.9942 2.1855 2.1855 2.2651 2.2651 2.3042 2.3042 2.3930 2.3930 5.9533 5.9533 6.2543 6.2543 6.3374 6.3374 8.0539 8.0539 8.3024 8.3024 8.6705 8.6705 k = 0.2907 0.2907-0.0000 ( 19140 PWs) bands (ev): -16.2353 -16.2353 -16.1695 -16.1695 -9.4502 -9.4502 -9.4240 -9.4240 -5.1264 -5.1264 -4.9182 -4.9182 -3.8473 -3.8473 -3.6201 -3.6201 -3.5602 -3.5602 -3.3692 -3.3692 -3.2107 -3.2107 -3.1922 -3.1922 -0.4765 -0.4765 -0.4303 -0.4303 -0.3436 -0.3436 -0.3132 -0.3132 0.2180 0.2180 0.2928 0.2928 0.5455 0.5455 0.6237 0.6237 0.6438 0.6438 0.7117 0.7117 1.7184 1.7184 1.9728 1.9728 2.1442 2.1442 2.2389 2.2389 2.2683 2.2683 2.3854 2.3854 6.0274 6.0274 6.3272 6.3272 6.4175 6.4175 8.0156 8.0156 8.3309 8.3309 8.6675 8.6675 k = 0.2791 0.2791-0.0000 ( 19128 PWs) bands (ev): -16.2359 -16.2359 -16.1699 -16.1699 -9.4548 -9.4548 -9.4261 -9.4261 -5.1212 -5.1212 -4.9200 -4.9200 -3.8403 -3.8403 -3.6183 -3.6183 -3.5529 -3.5529 -3.3636 -3.3636 -3.1757 -3.1757 -3.1572 -3.1572 -0.4601 -0.4601 -0.4229 -0.4229 -0.3336 -0.3336 -0.3014 -0.3014 0.2190 0.2190 0.2948 0.2948 0.4834 0.4834 0.5904 0.5904 0.6209 0.6209 0.6925 0.6925 1.7006 1.7006 1.9527 1.9527 2.0993 2.0993 2.2069 2.2069 2.2313 2.2313 2.3853 2.3853 6.1023 6.1023 6.4027 6.4027 6.4997 6.4997 7.9778 7.9778 8.3593 8.3593 8.6615 8.6615 k = 0.2674 0.2674-0.0000 ( 19122 PWs) bands (ev): -16.2365 -16.2365 -16.1703 -16.1703 -9.4595 -9.4595 -9.4283 -9.4283 -5.1159 -5.1159 -4.9217 -4.9217 -3.8331 -3.8331 -3.6166 -3.6166 -3.5455 -3.5455 -3.3601 -3.3601 -3.1383 -3.1383 -3.1194 -3.1194 -0.4438 -0.4438 -0.4149 -0.4149 -0.3228 -0.3228 -0.2893 -0.2893 0.2201 0.2201 0.2966 0.2966 0.4190 0.4190 0.5239 0.5239 0.6197 0.6197 0.6861 0.6861 1.6802 1.6802 1.9335 1.9335 2.0526 2.0526 2.1716 2.1716 2.1926 2.1926 2.3896 2.3896 6.1776 6.1776 6.4806 6.4806 6.5834 6.5834 7.9405 7.9405 8.3876 8.3876 8.6527 8.6527 k = 0.2558 0.2558-0.0000 ( 19136 PWs) bands (ev): -16.2372 -16.2372 -16.1707 -16.1707 -9.4643 -9.4643 -9.4304 -9.4304 -5.1104 -5.1104 -4.9234 -4.9234 -3.8259 -3.8259 -3.6150 -3.6150 -3.5380 -3.5380 -3.3580 -3.3580 -3.0987 -3.0987 -3.0795 -3.0795 -0.4277 -0.4277 -0.4062 -0.4062 -0.3114 -0.3114 -0.2770 -0.2770 0.2213 0.2213 0.2973 0.2973 0.3539 0.3539 0.4549 0.4549 0.6189 0.6189 0.6830 0.6830 1.6578 1.6578 1.9148 1.9148 2.0047 2.0047 2.1347 2.1347 2.1526 2.1526 2.3960 2.3960 6.2526 6.2526 6.5610 6.5610 6.6682 6.6682 7.9041 7.9041 8.4157 8.4157 8.6415 8.6415 k = 0.2442 0.2442-0.0000 ( 19128 PWs) bands (ev): -16.2378 -16.2378 -16.1711 -16.1711 -9.4690 -9.4690 -9.4325 -9.4325 -5.1049 -5.1049 -4.9250 -4.9250 -3.8185 -3.8185 -3.6135 -3.6135 -3.5305 -3.5305 -3.3569 -3.3569 -3.0569 -3.0569 -3.0378 -3.0378 -0.4121 -0.4121 -0.3966 -0.3966 -0.2994 -0.2994 -0.2644 -0.2644 0.2218 0.2218 0.2845 0.2845 0.2994 0.2994 0.3880 0.3880 0.6184 0.6184 0.6809 0.6809 1.6340 1.6340 1.8960 1.8960 1.9561 1.9561 2.0972 2.0972 2.1116 2.1116 2.4035 2.4035 6.3267 6.3267 6.6438 6.6438 6.7534 6.7534 7.8685 7.8685 8.4435 8.4435 8.6285 8.6285 k = 0.2326 0.2326-0.0000 ( 19130 PWs) bands (ev): -16.2385 -16.2385 -16.1715 -16.1715 -9.4737 -9.4737 -9.4346 -9.4346 -5.0994 -5.0994 -4.9266 -4.9266 -3.8110 -3.8110 -3.6121 -3.6121 -3.5230 -3.5230 -3.3564 -3.3564 -3.0134 -3.0134 -2.9947 -2.9947 -0.3974 -0.3974 -0.3860 -0.3860 -0.2868 -0.2868 -0.2517 -0.2517 0.2089 0.2089 0.2348 0.2348 0.2773 0.2773 0.3385 0.3385 0.6179 0.6179 0.6793 0.6793 1.6096 1.6096 1.8760 1.8760 1.9076 1.9076 2.0597 2.0597 2.0702 2.0702 2.4113 2.4113 6.3994 6.3994 6.7289 6.7289 6.8383 6.8383 7.8340 7.8340 8.4708 8.4708 8.6144 8.6144 k = 0.2209 0.2209-0.0000 ( 19138 PWs) bands (ev): -16.2391 -16.2391 -16.1719 -16.1719 -9.4784 -9.4784 -9.4366 -9.4366 -5.0938 -5.0938 -4.9282 -4.9282 -3.8035 -3.8035 -3.6108 -3.6108 -3.5156 -3.5156 -3.3563 -3.3563 -2.9683 -2.9683 -2.9503 -2.9503 -0.3845 -0.3845 -0.3739 -0.3739 -0.2739 -0.2739 -0.2390 -0.2390 0.1493 0.1493 0.2152 0.2152 0.2362 0.2362 0.3254 0.3254 0.6176 0.6176 0.6780 0.6780 1.5852 1.5852 1.8488 1.8488 1.8651 1.8651 2.0225 2.0225 2.0288 2.0288 2.4191 2.4191 6.4699 6.4699 6.8163 6.8163 6.9222 6.9222 7.8006 7.8006 8.4971 8.4971 8.6004 8.6004 k = 0.2093 0.2093-0.0000 ( 19130 PWs) bands (ev): -16.2397 -16.2397 -16.1723 -16.1723 -9.4830 -9.4830 -9.4385 -9.4385 -5.0882 -5.0882 -4.9297 -4.9297 -3.7959 -3.7959 -3.6098 -3.6098 -3.5082 -3.5082 -3.3566 -3.3566 -2.9218 -2.9218 -2.9047 -2.9047 -0.3734 -0.3734 -0.3604 -0.3604 -0.2607 -0.2607 -0.2264 -0.2264 0.0840 0.0840 0.1502 0.1502 0.2349 0.2349 0.3251 0.3251 0.6173 0.6173 0.6769 0.6769 1.5613 1.5613 1.8037 1.8037 1.8391 1.8391 1.9851 1.9851 1.9888 1.9888 2.4267 2.4267 6.5376 6.5376 6.9060 6.9060 7.0040 7.0040 7.7685 7.7685 8.5206 8.5206 8.5889 8.5889 k = 0.1977 0.1977-0.0000 ( 19130 PWs) bands (ev): -16.2403 -16.2403 -16.1727 -16.1727 -9.4875 -9.4875 -9.4405 -9.4405 -5.0827 -5.0827 -4.9312 -4.9312 -3.7883 -3.7883 -3.6089 -3.6089 -3.5010 -3.5010 -3.3571 -3.3571 -2.8742 -2.8742 -2.8582 -2.8582 -0.3640 -0.3640 -0.3466 -0.3466 -0.2473 -0.2473 -0.2140 -0.2140 0.0191 0.0191 0.0805 0.0805 0.2376 0.2376 0.3276 0.3276 0.6171 0.6171 0.6759 0.6759 1.5382 1.5382 1.7547 1.7547 1.8153 1.8153 1.9455 1.9455 1.9525 1.9525 2.4341 2.4341 6.6019 6.6019 6.9978 6.9978 7.0829 7.0829 7.7376 7.7376 8.5352 8.5352 8.5870 8.5870 k = 0.1860 0.1860-0.0000 ( 19124 PWs) bands (ev): -16.2409 -16.2409 -16.1731 -16.1731 -9.4919 -9.4919 -9.4423 -9.4423 -5.0772 -5.0772 -4.9326 -4.9326 -3.7808 -3.7808 -3.6083 -3.6083 -3.4939 -3.4939 -3.3578 -3.3578 -2.8256 -2.8256 -2.8109 -2.8109 -0.3565 -0.3565 -0.3336 -0.3336 -0.2340 -0.2340 -0.2022 -0.2022 -0.0439 -0.0439 0.0116 0.0116 0.2412 0.2412 0.3312 0.3312 0.6170 0.6170 0.6750 0.6750 1.5164 1.5164 1.7056 1.7056 1.7901 1.7901 1.9060 1.9060 1.9186 1.9186 2.4410 2.4410 6.6622 6.6622 7.0915 7.0915 7.1578 7.1578 7.7082 7.7082 8.5342 8.5342 8.6013 8.6013 k = 0.1744 0.1744-0.0000 ( 19118 PWs) bands (ev): -16.2415 -16.2415 -16.1735 -16.1735 -9.4962 -9.4962 -9.4441 -9.4441 -5.0718 -5.0718 -4.9340 -4.9340 -3.7732 -3.7732 -3.6079 -3.6079 -3.4871 -3.4871 -3.3586 -3.3586 -2.7762 -2.7762 -2.7630 -2.7630 -0.3526 -0.3526 -0.3223 -0.3223 -0.2210 -0.2210 -0.1916 -0.1916 -0.1026 -0.1026 -0.0542 -0.0542 0.2454 0.2454 0.3353 0.3353 0.6168 0.6168 0.6742 0.6742 1.4961 1.4961 1.6570 1.6570 1.7629 1.7629 1.8676 1.8676 1.8865 1.8865 2.4476 2.4476 6.7178 6.7178 7.1870 7.1870 7.2278 7.2278 7.6803 7.6803 8.5253 8.5253 8.6238 8.6238 k = 0.1628 0.1628-0.0000 ( 19104 PWs) bands (ev): -16.2421 -16.2421 -16.1739 -16.1739 -9.5003 -9.5003 -9.4457 -9.4457 -5.0665 -5.0665 -4.9354 -4.9354 -3.7657 -3.7657 -3.6078 -3.6078 -3.4804 -3.4804 -3.3595 -3.3595 -2.7262 -2.7262 -2.7148 -2.7148 -0.3556 -0.3556 -0.3153 -0.3153 -0.2090 -0.2090 -0.1869 -0.1869 -0.1494 -0.1494 -0.1133 -0.1133 0.2502 0.2502 0.3397 0.3397 0.6167 0.6167 0.6735 0.6735 1.4774 1.4774 1.6094 1.6094 1.7338 1.7338 1.8307 1.8307 1.8560 1.8560 2.4537 2.4537 6.7686 6.7686 7.2809 7.2809 7.2950 7.2950 7.6539 7.6539 8.5146 8.5146 8.6477 8.6477 k = 0.1512 0.1512-0.0000 ( 19110 PWs) bands (ev): -16.2426 -16.2426 -16.1742 -16.1742 -9.5042 -9.5042 -9.4473 -9.4473 -5.0614 -5.0614 -4.9368 -4.9368 -3.7582 -3.7582 -3.6080 -3.6080 -3.4741 -3.4741 -3.3604 -3.3604 -2.6761 -2.6761 -2.6664 -2.6664 -0.3707 -0.3707 -0.3195 -0.3195 -0.2128 -0.2128 -0.1921 -0.1921 -0.1632 -0.1632 -0.1550 -0.1550 0.2555 0.2555 0.3444 0.3444 0.6167 0.6167 0.6729 0.6729 1.4603 1.4603 1.5633 1.5633 1.7033 1.7033 1.7955 1.7955 1.8270 1.8270 2.4593 2.4593 6.8141 6.8141 7.3454 7.3454 7.3863 7.3863 7.6292 7.6292 8.5039 8.5039 8.6733 8.6733 k = 0.1395 0.1395-0.0000 ( 19096 PWs) bands (ev): -16.2431 -16.2431 -16.1745 -16.1745 -9.5079 -9.5079 -9.4488 -9.4488 -5.0564 -5.0564 -4.9382 -4.9382 -3.7509 -3.7509 -3.6085 -3.6085 -3.4680 -3.4680 -3.3614 -3.3614 -2.6259 -2.6259 -2.6181 -2.6181 -0.4016 -0.4016 -0.3473 -0.3473 -0.2283 -0.2283 -0.1872 -0.1872 -0.1814 -0.1814 -0.1504 -0.1504 0.2612 0.2612 0.3491 0.3491 0.6167 0.6167 0.6723 0.6723 1.4444 1.4444 1.5195 1.5195 1.6717 1.6717 1.7623 1.7623 1.7994 1.7994 2.4645 2.4645 6.8543 6.8543 7.3951 7.3951 7.4859 7.4859 7.6066 7.6066 8.4938 8.4938 8.7021 8.7021 k = 0.1279 0.1279-0.0000 ( 19096 PWs) bands (ev): -16.2436 -16.2436 -16.1748 -16.1748 -9.5113 -9.5113 -9.4502 -9.4502 -5.0516 -5.0516 -4.9395 -4.9395 -3.7437 -3.7437 -3.6092 -3.6092 -3.4622 -3.4622 -3.3624 -3.3624 -2.5762 -2.5762 -2.5703 -2.5703 -0.4451 -0.4451 -0.3958 -0.3958 -0.2279 -0.2279 -0.1969 -0.1969 -0.1702 -0.1702 -0.1412 -0.1412 0.2674 0.2674 0.3539 0.3539 0.6167 0.6167 0.6718 0.6718 1.4278 1.4278 1.4802 1.4802 1.6400 1.6400 1.7311 1.7311 1.7727 1.7727 2.4693 2.4693 6.8893 6.8893 7.4368 7.4368 7.5738 7.5738 7.5988 7.5988 8.4845 8.4845 8.7329 8.7329 k = 0.1163 0.1163-0.0000 ( 19108 PWs) bands (ev): -16.2441 -16.2441 -16.1751 -16.1751 -9.5146 -9.5146 -9.4515 -9.4515 -5.0470 -5.0470 -4.9408 -4.9408 -3.7367 -3.7367 -3.6102 -3.6102 -3.4568 -3.4568 -3.3633 -3.3633 -2.5274 -2.5274 -2.5231 -2.5231 -0.4951 -0.4951 -0.4524 -0.4524 -0.2202 -0.2202 -0.1971 -0.1971 -0.1592 -0.1592 -0.1321 -0.1321 0.2740 0.2740 0.3587 0.3587 0.6167 0.6167 0.6714 0.6714 1.4057 1.4057 1.4508 1.4508 1.6088 1.6088 1.7021 1.7021 1.7469 1.7469 2.4736 2.4736 6.9192 6.9192 7.4712 7.4712 7.5627 7.5627 7.6923 7.6923 8.4764 8.4764 8.7641 8.7641 k = 0.1047 0.1047-0.0000 ( 19090 PWs) bands (ev): -16.2445 -16.2445 -16.1754 -16.1754 -9.5175 -9.5175 -9.4526 -9.4526 -5.0427 -5.0427 -4.9420 -4.9420 -3.7299 -3.7299 -3.6114 -3.6114 -3.4518 -3.4518 -3.3643 -3.3643 -2.4804 -2.4804 -2.4766 -2.4766 -0.5471 -0.5471 -0.5105 -0.5105 -0.2100 -0.2100 -0.1927 -0.1927 -0.1488 -0.1488 -0.1235 -0.1235 0.2809 0.2809 0.3634 0.3634 0.6168 0.6168 0.6710 0.6710 1.3748 1.3748 1.4347 1.4347 1.5789 1.5789 1.6752 1.6752 1.7218 1.7218 2.4775 2.4775 6.9444 6.9444 7.4990 7.4990 7.5452 7.5452 7.7939 7.7939 8.4696 8.4696 8.7953 8.7953 k = 0.0930 0.0930-0.0000 ( 19076 PWs) bands (ev): -16.2449 -16.2449 -16.1756 -16.1756 -9.5202 -9.5202 -9.4537 -9.4537 -5.0386 -5.0386 -4.9433 -4.9433 -3.7234 -3.7234 -3.6129 -3.6129 -3.4472 -3.4472 -3.3652 -3.3652 -2.4360 -2.4360 -2.4310 -2.4310 -0.5984 -0.5984 -0.5674 -0.5674 -0.1991 -0.1991 -0.1865 -0.1865 -0.1391 -0.1391 -0.1155 -0.1155 0.2878 0.2878 0.3679 0.3679 0.6169 0.6169 0.6707 0.6707 1.3407 1.3407 1.4266 1.4266 1.5508 1.5508 1.6507 1.6507 1.6975 1.6975 2.4809 2.4809 6.9653 6.9653 7.5210 7.5210 7.5292 7.5292 7.8945 7.8945 8.4646 8.4646 8.8261 8.8261 k = 0.0814 0.0814-0.0000 ( 19082 PWs) bands (ev): -16.2452 -16.2452 -16.1759 -16.1759 -9.5227 -9.5227 -9.4546 -9.4546 -5.0349 -5.0349 -4.9444 -4.9444 -3.7173 -3.7173 -3.6146 -3.6146 -3.4431 -3.4431 -3.3661 -3.3661 -2.3945 -2.3945 -2.3874 -2.3874 -0.6474 -0.6474 -0.6213 -0.6213 -0.1885 -0.1885 -0.1797 -0.1797 -0.1301 -0.1301 -0.1083 -0.1083 0.2948 0.2948 0.3721 0.3721 0.6171 0.6171 0.6705 0.6705 1.3077 1.3077 1.4223 1.4223 1.5253 1.5253 1.6287 1.6287 1.6740 1.6740 2.4839 2.4839 6.9823 6.9823 7.5148 7.5148 7.5382 7.5382 7.9926 7.9926 8.4619 8.4619 8.8564 8.8564 k = 0.0698 0.0698-0.0000 ( 19078 PWs) bands (ev): -16.2455 -16.2455 -16.1760 -16.1760 -9.5248 -9.5248 -9.4555 -9.4555 -5.0316 -5.0316 -4.9455 -4.9455 -3.7116 -3.7116 -3.6164 -3.6164 -3.4394 -3.4394 -3.3669 -3.3669 -2.3563 -2.3563 -2.3467 -2.3467 -0.6929 -0.6929 -0.6710 -0.6710 -0.1787 -0.1787 -0.1731 -0.1731 -0.1218 -0.1218 -0.1018 -0.1018 0.3015 0.3015 0.3761 0.3761 0.6172 0.6172 0.6703 0.6703 1.2773 1.2773 1.4204 1.4204 1.5032 1.5032 1.6093 1.6093 1.6514 1.6514 2.4865 2.4865 6.9960 6.9960 7.5023 7.5023 7.5514 7.5514 8.0856 8.0856 8.4625 8.4625 8.8857 8.8857 k = 0.0581 0.0581-0.0000 ( 19086 PWs) bands (ev): -16.2457 -16.2457 -16.1762 -16.1762 -9.5266 -9.5266 -9.4562 -9.4562 -5.0287 -5.0287 -4.9465 -4.9465 -3.7064 -3.7064 -3.6183 -3.6183 -3.4362 -3.4362 -3.3676 -3.3676 -2.3220 -2.3220 -2.3098 -2.3098 -0.7339 -0.7339 -0.7156 -0.7156 -0.1699 -0.1699 -0.1672 -0.1672 -0.1145 -0.1145 -0.0962 -0.0962 0.3077 0.3077 0.3796 0.3796 0.6174 0.6174 0.6701 0.6701 1.2503 1.2503 1.4194 1.4194 1.4854 1.4854 1.5926 1.5926 1.6300 1.6300 2.4887 2.4887 7.0067 7.0067 7.4917 7.4917 7.5614 7.5614 8.1699 8.1699 8.4681 8.4681 8.9136 8.9136 k = 0.0465 0.0465-0.0000 ( 19080 PWs) bands (ev): -16.2460 -16.2460 -16.1763 -16.1763 -9.5281 -9.5281 -9.4567 -9.4567 -5.0262 -5.0262 -4.9474 -4.9474 -3.7018 -3.7018 -3.6201 -3.6201 -3.4335 -3.4335 -3.3683 -3.3683 -2.2923 -2.2923 -2.2778 -2.2778 -0.7695 -0.7695 -0.7537 -0.7537 -0.1628 -0.1628 -0.1618 -0.1618 -0.1083 -0.1083 -0.0914 -0.0914 0.3132 0.3132 0.3827 0.3827 0.6175 0.6175 0.6700 0.6700 1.2274 1.2274 1.4180 1.4180 1.4731 1.4731 1.5790 1.5790 1.6103 1.6103 2.4905 2.4905 7.0149 7.0149 7.4829 7.4829 7.5687 7.5687 8.2404 8.2404 8.4815 8.4815 8.9391 8.9391 k = 0.0349 0.0349-0.0000 ( 19064 PWs) bands (ev): -16.2461 -16.2461 -16.1764 -16.1764 -9.5293 -9.5293 -9.4572 -9.4572 -5.0242 -5.0242 -4.9481 -4.9481 -3.6980 -3.6980 -3.6217 -3.6217 -3.4314 -3.4314 -3.3688 -3.3688 -2.2682 -2.2682 -2.2515 -2.2515 -0.7986 -0.7986 -0.7846 -0.7846 -0.1585 -0.1585 -0.1561 -0.1561 -0.1033 -0.1033 -0.0876 -0.0876 0.3178 0.3178 0.3852 0.3852 0.6177 0.6177 0.6699 0.6699 1.2090 1.2090 1.4151 1.4151 1.4671 1.4671 1.5684 1.5684 1.5927 1.5927 2.4918 2.4918 7.0209 7.0209 7.4761 7.4761 7.5739 7.5739 8.2912 8.2912 8.5044 8.5044 8.9612 8.9612 k = 0.0233 0.0233-0.0000 ( 19066 PWs) bands (ev): -16.2462 -16.2462 -16.1765 -16.1765 -9.5301 -9.5301 -9.4575 -9.4575 -5.0228 -5.0228 -4.9487 -4.9487 -3.6951 -3.6951 -3.6230 -3.6230 -3.4299 -3.4299 -3.3692 -3.3692 -2.2502 -2.2502 -2.2320 -2.2320 -0.8204 -0.8204 -0.8072 -0.8072 -0.1557 -0.1557 -0.1518 -0.1518 -0.0996 -0.0996 -0.0848 -0.0848 0.3213 0.3213 0.3870 0.3870 0.6178 0.6178 0.6699 0.6699 1.1956 1.1956 1.4112 1.4112 1.4661 1.4661 1.5612 1.5612 1.5781 1.5781 2.4928 2.4928 7.0249 7.0249 7.4712 7.4712 7.5774 7.5774 8.3216 8.3216 8.5332 8.5332 8.9786 8.9786 k = 0.0116 0.0116-0.0000 ( 19077 PWs) bands (ev): -16.2463 -16.2463 -16.1766 -16.1766 -9.5306 -9.5306 -9.4577 -9.4577 -5.0219 -5.0219 -4.9490 -4.9490 -3.6933 -3.6933 -3.6239 -3.6239 -3.4290 -3.4290 -3.3694 -3.3694 -2.2392 -2.2392 -2.2199 -2.2199 -0.8338 -0.8338 -0.8210 -0.8210 -0.1540 -0.1540 -0.1491 -0.1491 -0.0974 -0.0974 -0.0831 -0.0831 0.3234 0.3234 0.3882 0.3882 0.6178 0.6178 0.6698 0.6698 1.1874 1.1874 1.4080 1.4080 1.4672 1.4672 1.5576 1.5576 1.5676 1.5676 2.4934 2.4934 7.0273 7.0273 7.4683 7.4683 7.5794 7.5794 8.3363 8.3363 8.5574 8.5574 8.9898 8.9898 k = 0.0000 0.0000 0.0000 ( 19081 PWs) bands (ev): -16.2463 -16.2463 -16.1766 -16.1766 -9.5308 -9.5308 -9.4578 -9.4578 -5.0216 -5.0216 -4.9491 -4.9491 -3.6927 -3.6927 -3.6242 -3.6242 -3.4286 -3.4286 -3.3695 -3.3695 -2.2355 -2.2355 -2.2158 -2.2158 -0.8384 -0.8384 -0.8257 -0.8257 -0.1534 -0.1534 -0.1482 -0.1482 -0.0966 -0.0966 -0.0825 -0.0825 0.3241 0.3241 0.3886 0.3886 0.6179 0.6179 0.6698 0.6698 1.1846 1.1846 1.4068 1.4068 1.4680 1.4680 1.5569 1.5569 1.5633 1.5633 2.4936 2.4936 7.0281 7.0281 7.4673 7.4673 7.5801 7.5801 8.3405 8.3405 8.5667 8.5667 8.9937 8.9937 k = 0.0000 0.0000 0.0000 ( 19081 PWs) bands (ev): -16.2463 -16.2463 -16.1766 -16.1766 -9.5308 -9.5308 -9.4578 -9.4578 -5.0216 -5.0216 -4.9491 -4.9491 -3.6927 -3.6927 -3.6242 -3.6242 -3.4286 -3.4286 -3.3695 -3.3695 -2.2355 -2.2355 -2.2158 -2.2158 -0.8384 -0.8384 -0.8257 -0.8257 -0.1534 -0.1534 -0.1482 -0.1482 -0.0966 -0.0966 -0.0825 -0.0825 0.3241 0.3241 0.3886 0.3886 0.6179 0.6179 0.6698 0.6698 1.1846 1.1846 1.4068 1.4068 1.4680 1.4680 1.5569 1.5569 1.5633 1.5633 2.4936 2.4936 7.0281 7.0281 7.4673 7.4673 7.5801 7.5801 8.3405 8.3405 8.5667 8.5667 8.9937 8.9937 k = 0.0000 0.0000 0.0162 ( 19065 PWs) bands (ev): -16.2462 -16.2462 -16.1767 -16.1767 -9.5306 -9.5306 -9.4579 -9.4579 -5.0214 -5.0214 -4.9491 -4.9491 -3.6924 -3.6924 -3.6239 -3.6239 -3.4290 -3.4290 -3.3702 -3.3702 -2.2354 -2.2354 -2.2158 -2.2158 -0.8383 -0.8383 -0.8257 -0.8257 -0.1534 -0.1534 -0.1482 -0.1482 -0.0966 -0.0966 -0.0825 -0.0825 0.3242 0.3242 0.3885 0.3885 0.6179 0.6179 0.6697 0.6697 1.1846 1.1846 1.4067 1.4067 1.4679 1.4679 1.5335 1.5335 1.5877 1.5877 2.4925 2.4925 7.0292 7.0292 7.4707 7.4707 7.5827 7.5827 8.3397 8.3397 8.5676 8.5676 8.9899 8.9899 k = 0.0000 0.0000 0.0324 ( 19065 PWs) bands (ev): -16.2459 -16.2459 -16.1771 -16.1771 -9.5302 -9.5302 -9.4582 -9.4582 -5.0208 -5.0208 -4.9493 -4.9493 -3.6914 -3.6914 -3.6229 -3.6229 -3.4302 -3.4302 -3.3724 -3.3724 -2.2353 -2.2353 -2.2159 -2.2159 -0.8381 -0.8381 -0.8256 -0.8256 -0.1534 -0.1534 -0.1483 -0.1483 -0.0965 -0.0965 -0.0825 -0.0825 0.3246 0.3246 0.3882 0.3882 0.6182 0.6182 0.6695 0.6695 1.1846 1.1846 1.4065 1.4065 1.4677 1.4677 1.5084 1.5084 1.6159 1.6159 2.4892 2.4892 7.0327 7.0327 7.4806 7.4806 7.5907 7.5907 8.3371 8.3371 8.5703 8.5703 8.9790 8.9790 k = 0.0000 0.0000 0.0486 ( 19090 PWs) bands (ev): -16.2453 -16.2453 -16.1777 -16.1777 -9.5296 -9.5296 -9.4588 -9.4588 -5.0197 -5.0197 -4.9495 -4.9495 -3.6897 -3.6897 -3.6212 -3.6212 -3.4320 -3.4320 -3.3761 -3.3761 -2.2351 -2.2351 -2.2160 -2.2160 -0.8377 -0.8377 -0.8254 -0.8254 -0.1533 -0.1533 -0.1483 -0.1483 -0.0964 -0.0964 -0.0826 -0.0826 0.3252 0.3252 0.3876 0.3876 0.6186 0.6186 0.6690 0.6690 1.1846 1.1846 1.4058 1.4058 1.4674 1.4674 1.4848 1.4848 1.6450 1.6450 2.4837 2.4837 7.0385 7.0385 7.4967 7.4967 7.6038 7.6038 8.3329 8.3329 8.5749 8.5749 8.9614 8.9614 k = 0.0000 0.0000 0.0648 ( 19098 PWs) bands (ev): -16.2445 -16.2445 -16.1785 -16.1785 -9.5287 -9.5287 -9.4596 -9.4596 -5.0183 -5.0183 -4.9498 -4.9498 -3.6873 -3.6873 -3.6189 -3.6189 -3.4347 -3.4347 -3.3811 -3.3811 -2.2348 -2.2348 -2.2162 -2.2162 -0.8371 -0.8371 -0.8252 -0.8252 -0.1532 -0.1532 -0.1484 -0.1484 -0.0961 -0.0961 -0.0827 -0.0827 0.3260 0.3260 0.3869 0.3869 0.6192 0.6192 0.6685 0.6685 1.1846 1.1846 1.4041 1.4041 1.4633 1.4633 1.4670 1.4670 1.6747 1.6747 2.4760 2.4760 7.0468 7.0468 7.5187 7.5187 7.6217 7.6217 8.3272 8.3272 8.5812 8.5812 8.9381 8.9381 k = 0.0000 0.0000 0.0810 ( 19074 PWs) bands (ev): -16.2435 -16.2435 -16.1796 -16.1796 -9.5275 -9.5275 -9.4607 -9.4607 -5.0165 -5.0165 -4.9503 -4.9503 -3.6842 -3.6842 -3.6159 -3.6159 -3.4380 -3.4380 -3.3874 -3.3874 -2.2344 -2.2344 -2.2164 -2.2164 -0.8365 -0.8365 -0.8249 -0.8249 -0.1532 -0.1532 -0.1484 -0.1484 -0.0958 -0.0958 -0.0828 -0.0828 0.3270 0.3270 0.3860 0.3860 0.6200 0.6200 0.6677 0.6677 1.1846 1.1846 1.3998 1.3998 1.4456 1.4456 1.4665 1.4665 1.7052 1.7052 2.4662 2.4662 7.0578 7.0578 7.5457 7.5457 7.6443 7.6443 8.3205 8.3205 8.5894 8.5894 8.9103 8.9103 k = 0.0000 0.0000 0.0971 ( 19102 PWs) bands (ev): -16.2422 -16.2422 -16.1809 -16.1809 -9.5261 -9.5261 -9.4619 -9.4619 -5.0144 -5.0144 -4.9508 -4.9508 -3.6805 -3.6805 -3.6124 -3.6124 -3.4421 -3.4421 -3.3949 -3.3949 -2.2340 -2.2340 -2.2167 -2.2167 -0.8357 -0.8357 -0.8246 -0.8246 -0.1531 -0.1531 -0.1485 -0.1485 -0.0955 -0.0955 -0.0829 -0.0829 0.3282 0.3282 0.3849 0.3849 0.6209 0.6209 0.6668 0.6668 1.1847 1.1847 1.3908 1.3908 1.4339 1.4339 1.4658 1.4658 1.7361 1.7361 2.4544 2.4544 7.0715 7.0715 7.5766 7.5766 7.6710 7.6710 8.3132 8.3132 8.5994 8.5994 8.8792 8.8792 k = 0.0000 0.0000 0.1133 ( 19114 PWs) bands (ev): -16.2408 -16.2408 -16.1824 -16.1824 -9.5245 -9.5245 -9.4634 -9.4634 -5.0119 -5.0119 -4.9515 -4.9515 -3.6759 -3.6759 -3.6082 -3.6082 -3.4468 -3.4468 -3.4035 -3.4035 -2.2334 -2.2334 -2.2171 -2.2171 -0.8348 -0.8348 -0.8243 -0.8243 -0.1529 -0.1529 -0.1486 -0.1486 -0.0951 -0.0951 -0.0831 -0.0831 0.3296 0.3296 0.3836 0.3836 0.6220 0.6220 0.6657 0.6657 1.1850 1.1850 1.3766 1.3766 1.4285 1.4285 1.4650 1.4650 1.7676 1.7676 2.4406 2.4406 7.0881 7.0881 7.6098 7.6098 7.7015 7.7015 8.3062 8.3062 8.6111 8.6111 8.8466 8.8466 k = 0.0000 0.0000 0.1295 ( 19086 PWs) bands (ev): -16.2391 -16.2391 -16.1841 -16.1841 -9.5227 -9.5227 -9.4651 -9.4651 -5.0092 -5.0092 -4.9523 -4.9523 -3.6707 -3.6707 -3.6035 -3.6035 -3.4523 -3.4523 -3.4130 -3.4130 -2.2328 -2.2328 -2.2175 -2.2175 -0.8338 -0.8338 -0.8239 -0.8239 -0.1528 -0.1528 -0.1487 -0.1487 -0.0946 -0.0946 -0.0833 -0.0833 0.3313 0.3313 0.3822 0.3822 0.6233 0.6233 0.6645 0.6645 1.1854 1.1854 1.3601 1.3601 1.4268 1.4268 1.4641 1.4641 1.7994 1.7994 2.4249 2.4249 7.1076 7.1076 7.6432 7.6432 7.7353 7.7353 8.3008 8.3008 8.6247 8.6247 8.8140 8.8140 k = 0.0000 0.0000 0.1457 ( 19106 PWs) bands (ev): -16.2373 -16.2373 -16.1860 -16.1860 -9.5206 -9.5206 -9.4669 -9.4669 -5.0063 -5.0063 -4.9533 -4.9533 -3.6647 -3.6647 -3.5982 -3.5982 -3.4585 -3.4585 -3.4233 -3.4233 -2.2322 -2.2322 -2.2179 -2.2179 -0.8328 -0.8328 -0.8236 -0.8236 -0.1527 -0.1527 -0.1489 -0.1489 -0.0941 -0.0941 -0.0835 -0.0835 0.3331 0.3331 0.3805 0.3805 0.6247 0.6247 0.6631 0.6631 1.1861 1.1861 1.3431 1.3431 1.4269 1.4269 1.4631 1.4631 1.8316 1.8316 2.4073 2.4073 7.1302 7.1302 7.6737 7.6737 7.7720 7.7720 8.2984 8.2984 8.6400 8.6400 8.7836 8.7836 k = 0.0000 0.0000 0.1619 ( 19122 PWs) bands (ev): -16.2353 -16.2353 -16.1880 -16.1880 -9.5184 -9.5184 -9.4690 -9.4690 -5.0031 -5.0031 -4.9544 -4.9544 -3.6579 -3.6579 -3.5925 -3.5925 -3.4655 -3.4655 -3.4342 -3.4342 -2.2315 -2.2315 -2.2184 -2.2184 -0.8317 -0.8317 -0.8233 -0.8233 -0.1525 -0.1525 -0.1490 -0.1490 -0.0936 -0.0936 -0.0838 -0.0838 0.3350 0.3350 0.3787 0.3787 0.6262 0.6262 0.6616 0.6616 1.1871 1.1871 1.3265 1.3265 1.4278 1.4278 1.4619 1.4619 1.8640 1.8640 2.3880 2.3880 7.1559 7.1559 7.6981 7.6981 7.8111 7.8111 8.3006 8.3006 8.6572 8.6572 8.7579 8.7579 k = 0.0000 0.0000 0.1781 ( 19126 PWs) bands (ev): -16.2331 -16.2331 -16.1902 -16.1902 -9.5160 -9.5160 -9.4712 -9.4712 -4.9998 -4.9998 -4.9557 -4.9557 -3.6504 -3.6504 -3.5862 -3.5862 -3.4733 -3.4733 -3.4454 -3.4454 -2.2308 -2.2308 -2.2189 -2.2189 -0.8306 -0.8306 -0.8230 -0.8230 -0.1523 -0.1523 -0.1492 -0.1492 -0.0930 -0.0930 -0.0841 -0.0841 0.3372 0.3372 0.3768 0.3768 0.6278 0.6278 0.6600 0.6600 1.1885 1.1885 1.3107 1.3107 1.4293 1.4293 1.4606 1.4606 1.8966 1.8966 2.3671 2.3671 7.1846 7.1846 7.7132 7.7132 7.8522 7.8522 8.3075 8.3075 8.6761 8.6761 8.7404 8.7404 k = 0.0000 0.0000 0.1943 ( 19146 PWs) bands (ev): -16.2308 -16.2308 -16.1926 -16.1926 -9.5135 -9.5135 -9.4736 -9.4736 -4.9964 -4.9964 -4.9572 -4.9572 -3.6421 -3.6421 -3.5796 -3.5796 -3.4820 -3.4820 -3.4566 -3.4566 -2.2300 -2.2300 -2.2195 -2.2195 -0.8296 -0.8296 -0.8228 -0.8228 -0.1521 -0.1521 -0.1493 -0.1493 -0.0924 -0.0924 -0.0844 -0.0844 0.3394 0.3394 0.3747 0.3747 0.6296 0.6296 0.6583 0.6583 1.1903 1.1903 1.2958 1.2958 1.4310 1.4310 1.4592 1.4592 1.9293 1.9293 2.3446 2.3446 7.2162 7.2162 7.7167 7.7167 7.8947 7.8947 8.3169 8.3169 8.6967 8.6967 8.7359 8.7359 k = 0.0000 0.0000 0.2105 ( 19138 PWs) bands (ev): -16.2283 -16.2283 -16.1951 -16.1951 -9.5108 -9.5108 -9.4761 -9.4761 -4.9930 -4.9930 -4.9589 -4.9589 -3.6331 -3.6331 -3.5726 -3.5726 -3.4919 -3.4919 -3.4675 -3.4675 -2.2293 -2.2293 -2.2201 -2.2201 -0.8285 -0.8285 -0.8226 -0.8226 -0.1520 -0.1520 -0.1495 -0.1495 -0.0918 -0.0918 -0.0848 -0.0848 0.3418 0.3418 0.3725 0.3725 0.6314 0.6314 0.6565 0.6565 1.1926 1.1926 1.2819 1.2819 1.4329 1.4329 1.4576 1.4576 1.9620 1.9620 2.3207 2.3207 7.2507 7.2507 7.7081 7.7081 7.9381 7.9381 8.3239 8.3239 8.7191 8.7191 8.7503 8.7503 k = 0.0000 0.0000 0.2267 ( 19150 PWs) bands (ev): -16.2258 -16.2258 -16.1977 -16.1977 -9.5080 -9.5080 -9.4787 -9.4787 -4.9895 -4.9895 -4.9607 -4.9607 -3.6234 -3.6234 -3.5652 -3.5652 -3.5028 -3.5028 -3.4780 -3.4780 -2.2285 -2.2285 -2.2207 -2.2207 -0.8275 -0.8275 -0.8225 -0.8225 -0.1518 -0.1518 -0.1497 -0.1497 -0.0912 -0.0912 -0.0853 -0.0853 0.3442 0.3442 0.3701 0.3701 0.6334 0.6334 0.6545 0.6545 1.1955 1.1955 1.2691 1.2691 1.4350 1.4350 1.4560 1.4560 1.9946 1.9946 2.2954 2.2954 7.2878 7.2878 7.6887 7.6887 7.9822 7.9822 8.3230 8.3230 8.7432 8.7432 8.7880 8.7880 k = 0.0000 0.0000 0.2429 ( 19138 PWs) bands (ev): -16.2231 -16.2231 -16.2004 -16.2004 -9.5052 -9.5052 -9.4815 -9.4815 -4.9860 -4.9860 -4.9628 -4.9628 -3.6129 -3.6129 -3.5575 -3.5575 -3.5146 -3.5146 -3.4879 -3.4879 -2.2277 -2.2277 -2.2214 -2.2214 -0.8266 -0.8266 -0.8226 -0.8226 -0.1516 -0.1516 -0.1499 -0.1499 -0.0905 -0.0905 -0.0857 -0.0857 0.3468 0.3468 0.3677 0.3677 0.6354 0.6354 0.6525 0.6525 1.1990 1.1990 1.2574 1.2574 1.4372 1.4372 1.4542 1.4542 2.0270 2.0270 2.2690 2.2690 7.3273 7.3273 7.6605 7.6605 8.0263 8.0263 8.3119 8.3119 8.7691 8.7691 8.8494 8.8494 k = 0.0000 0.0000 0.2590 ( 19134 PWs) bands (ev): -16.2203 -16.2203 -16.2032 -16.2032 -9.5022 -9.5022 -9.4843 -9.4843 -4.9826 -4.9826 -4.9651 -4.9651 -3.6019 -3.6019 -3.5495 -3.5495 -3.5271 -3.5271 -3.4973 -3.4973 -2.2268 -2.2268 -2.2221 -2.2221 -0.8257 -0.8257 -0.8227 -0.8227 -0.1513 -0.1513 -0.1501 -0.1501 -0.0899 -0.0899 -0.0862 -0.0862 0.3494 0.3494 0.3652 0.3652 0.6375 0.6375 0.6505 0.6505 1.2032 1.2032 1.2467 1.2467 1.4394 1.4394 1.4523 1.4523 2.0592 2.0592 2.2414 2.2414 7.3687 7.3687 7.6257 7.6257 8.0700 8.0700 8.2913 8.2913 8.7966 8.7966 8.9302 8.9302 k = 0.0000 0.0000 0.2752 ( 19118 PWs) bands (ev): -16.2175 -16.2175 -16.2060 -16.2060 -9.4993 -9.4993 -9.4872 -9.4872 -4.9793 -4.9793 -4.9676 -4.9676 -3.5902 -3.5902 -3.5413 -3.5413 -3.5399 -3.5399 -3.5065 -3.5065 -2.2260 -2.2260 -2.2229 -2.2229 -0.8249 -0.8249 -0.8229 -0.8229 -0.1511 -0.1511 -0.1503 -0.1503 -0.0892 -0.0892 -0.0868 -0.0868 0.3520 0.3520 0.3626 0.3626 0.6397 0.6397 0.6483 0.6483 1.2082 1.2082 1.2370 1.2370 1.4417 1.4417 1.4503 1.4503 2.0911 2.0911 2.2129 2.2129 7.4118 7.4118 7.5863 7.5863 8.1128 8.1128 8.2635 8.2635 8.8257 8.8257 8.9558 8.9558 k = 0.0000 0.0000 0.2914 ( 19106 PWs) bands (ev): -16.2147 -16.2147 -16.2089 -16.2089 -9.4962 -9.4962 -9.4902 -9.4902 -4.9761 -4.9761 -4.9702 -4.9702 -3.5781 -3.5781 -3.5528 -3.5528 -3.5329 -3.5329 -3.5155 -3.5155 -2.2252 -2.2252 -2.2236 -2.2236 -0.8242 -0.8242 -0.8232 -0.8232 -0.1509 -0.1509 -0.1505 -0.1505 -0.0886 -0.0886 -0.0873 -0.0873 0.3547 0.3547 0.3600 0.3600 0.6418 0.6418 0.6462 0.6462 1.2140 1.2140 1.2284 1.2284 1.4439 1.4439 1.4482 1.4482 2.1225 2.1225 2.1835 2.1835 7.4558 7.4558 7.5440 7.5440 8.1543 8.1543 8.2305 8.2305 8.8564 8.8564 8.9222 8.9222 k = 0.0000 0.0000 0.3076 ( 19126 PWs) bands (ev): -16.2118 -16.2118 -16.2118 -16.2118 -9.4932 -9.4932 -9.4932 -9.4932 -4.9731 -4.9731 -4.9731 -4.9731 -3.5656 -3.5656 -3.5656 -3.5656 -3.5242 -3.5242 -3.5242 -3.5242 -2.2244 -2.2244 -2.2244 -2.2244 -0.8237 -0.8237 -0.8237 -0.8237 -0.1507 -0.1507 -0.1507 -0.1507 -0.0880 -0.0880 -0.0880 -0.0880 0.3573 0.3573 0.3573 0.3573 0.6440 0.6440 0.6440 0.6440 1.2208 1.2208 1.2208 1.2208 1.4461 1.4461 1.4461 1.4461 2.1533 2.1533 2.1533 2.1533 7.5002 7.5002 7.5002 7.5002 8.1937 8.1937 8.1937 8.1937 8.8887 8.8887 8.8887 8.8887 k = 0.0000 0.0000 0.3076 ( 19126 PWs) bands (ev): -16.2118 -16.2118 -16.2118 -16.2118 -9.4932 -9.4932 -9.4932 -9.4932 -4.9731 -4.9731 -4.9731 -4.9731 -3.5656 -3.5656 -3.5656 -3.5656 -3.5242 -3.5242 -3.5242 -3.5242 -2.2244 -2.2244 -2.2244 -2.2244 -0.8237 -0.8237 -0.8237 -0.8237 -0.1507 -0.1507 -0.1507 -0.1507 -0.0880 -0.0880 -0.0880 -0.0880 0.3573 0.3573 0.3573 0.3573 0.6440 0.6440 0.6440 0.6440 1.2208 1.2208 1.2208 1.2208 1.4461 1.4461 1.4461 1.4461 2.1533 2.1533 2.1533 2.1533 7.5002 7.5002 7.5002 7.5002 8.1937 8.1937 8.1937 8.1937 8.8887 8.8887 8.8887 8.8887 k = 0.0000 0.0167 0.3076 ( 19114 PWs) bands (ev): -16.2118 -16.2118 -16.2118 -16.2118 -9.4933 -9.4933 -9.4929 -9.4929 -4.9751 -4.9751 -4.9713 -4.9713 -3.5698 -3.5698 -3.5618 -3.5618 -3.5258 -3.5258 -3.5229 -3.5229 -2.2323 -2.2323 -2.2244 -2.2244 -0.8238 -0.8238 -0.8142 -0.8142 -0.1529 -0.1529 -0.1501 -0.1501 -0.0894 -0.0894 -0.0878 -0.0878 0.3561 0.3561 0.3574 0.3574 0.6439 0.6439 0.6441 0.6441 1.2195 1.2195 1.2258 1.2258 1.4452 1.4452 1.4510 1.4510 2.1522 2.1522 2.1546 2.1546 7.4999 7.4999 7.5014 7.5014 8.1882 8.1882 8.1929 8.1929 8.8533 8.8533 8.8854 8.8854 k = 0.0000 0.0333 0.3076 ( 19108 PWs) bands (ev): -16.2117 -16.2117 -16.2117 -16.2117 -9.4935 -9.4935 -9.4919 -9.4919 -4.9773 -4.9773 -4.9696 -4.9696 -3.5743 -3.5743 -3.5584 -3.5584 -3.5280 -3.5280 -3.5215 -3.5215 -2.2553 -2.2553 -2.2243 -2.2243 -0.8242 -0.8242 -0.7866 -0.7866 -0.1577 -0.1577 -0.1499 -0.1499 -0.0935 -0.0935 -0.0877 -0.0877 0.3529 0.3529 0.3575 0.3575 0.6438 0.6438 0.6442 0.6442 1.2216 1.2216 1.2351 1.2351 1.4471 1.4471 1.4614 1.4614 2.1504 2.1504 2.1570 2.1570 7.4991 7.4991 7.5048 7.5048 8.1720 8.1720 8.1904 8.1904 8.7716 8.7716 8.8751 8.8751 k = 0.0000 0.0500 0.3076 ( 19104 PWs) bands (ev): -16.2116 -16.2116 -16.2116 -16.2116 -9.4939 -9.4939 -9.4904 -9.4904 -4.9797 -4.9797 -4.9680 -4.9680 -3.5792 -3.5792 -3.5554 -3.5554 -3.5311 -3.5311 -3.5197 -3.5197 -2.2916 -2.2916 -2.2242 -2.2242 -0.8249 -0.8249 -0.7427 -0.7427 -0.1652 -0.1652 -0.1499 -0.1499 -0.1000 -0.1000 -0.0876 -0.0876 0.3477 0.3477 0.3575 0.3575 0.6436 0.6436 0.6444 0.6444 1.2263 1.2263 1.2486 1.2486 1.4512 1.4512 1.4777 1.4777 2.1478 2.1478 2.1608 2.1608 7.4974 7.4974 7.5104 7.5104 8.1457 8.1457 8.1862 8.1862 8.6704 8.6704 8.8589 8.8589 k = 0.0000 0.0667 0.3076 ( 19100 PWs) bands (ev): -16.2115 -16.2115 -16.2114 -16.2114 -9.4944 -9.4944 -9.4883 -9.4883 -4.9823 -4.9823 -4.9666 -4.9666 -3.5843 -3.5843 -3.5527 -3.5527 -3.5351 -3.5351 -3.5176 -3.5176 -2.3388 -2.3388 -2.2241 -2.2241 -0.8259 -0.8259 -0.6851 -0.6851 -0.1751 -0.1751 -0.1499 -0.1499 -0.1090 -0.1090 -0.0875 -0.0875 0.3410 0.3410 0.3575 0.3575 0.6435 0.6435 0.6445 0.6445 1.2335 1.2335 1.2657 1.2657 1.4578 1.4578 1.4998 1.4998 2.1441 2.1441 2.1659 2.1659 7.4945 7.4945 7.5183 7.5183 8.1101 8.1101 8.1807 8.1807 8.5612 8.5612 8.8378 8.8378 k = 0.0000 0.0833 0.3076 ( 19102 PWs) bands (ev): -16.2114 -16.2114 -16.2112 -16.2112 -9.4950 -9.4950 -9.4856 -9.4856 -4.9852 -4.9852 -4.9653 -4.9653 -3.5898 -3.5898 -3.5503 -3.5503 -3.5399 -3.5399 -3.5153 -3.5153 -2.3941 -2.3941 -2.2239 -2.2239 -0.8271 -0.8271 -0.6168 -0.6168 -0.1869 -0.1869 -0.1499 -0.1499 -0.1202 -0.1202 -0.0875 -0.0875 0.3332 0.3332 0.3576 0.3576 0.6433 0.6433 0.6447 0.6447 1.2428 1.2428 1.2853 1.2853 1.4674 1.4674 1.5273 1.5273 2.1395 2.1395 2.1724 2.1724 7.4896 7.4896 7.5284 7.5284 8.0664 8.0664 8.1738 8.1738 8.4484 8.4484 8.8132 8.8132 k = 0.0000 0.1000 0.3076 ( 19124 PWs) bands (ev): -16.2112 -16.2112 -16.2110 -16.2110 -9.4957 -9.4957 -9.4823 -9.4823 -4.9882 -4.9882 -4.9640 -4.9640 -3.5956 -3.5956 -3.5481 -3.5481 -3.5456 -3.5456 -3.5127 -3.5127 -2.4554 -2.4554 -2.2237 -2.2237 -0.8285 -0.8285 -0.5410 -0.5410 -0.1994 -0.1994 -0.1501 -0.1501 -0.1334 -0.1334 -0.0876 -0.0876 0.3248 0.3248 0.3577 0.3577 0.6432 0.6432 0.6448 0.6448 1.2542 1.2542 1.3058 1.3058 1.4811 1.4811 1.5597 1.5597 2.1339 2.1339 2.1803 2.1803 7.4819 7.4819 7.5406 7.5406 8.0156 8.0156 8.1655 8.1655 8.3346 8.3346 8.7862 8.7862 k = 0.0000 0.1167 0.3076 ( 19132 PWs) bands (ev): -16.2110 -16.2110 -16.2107 -16.2107 -9.4966 -9.4966 -9.4786 -9.4786 -4.9915 -4.9915 -4.9628 -4.9628 -3.6019 -3.6019 -3.5519 -3.5519 -3.5461 -3.5461 -3.5101 -3.5101 -2.5206 -2.5206 -2.2235 -2.2235 -0.8302 -0.8302 -0.4618 -0.4618 -0.2104 -0.2104 -0.1518 -0.1518 -0.1467 -0.1467 -0.0878 -0.0878 0.3161 0.3161 0.3577 0.3577 0.6430 0.6430 0.6450 0.6450 1.2675 1.2675 1.3258 1.3258 1.4997 1.4997 1.5965 1.5965 2.1274 2.1274 2.1894 2.1894 7.4706 7.4706 7.5551 7.5551 7.9592 7.9592 8.1541 8.1542 8.2231 8.2231 8.7577 8.7577 k = 0.0000 0.1333 0.3076 ( 19126 PWs) bands (ev): -16.2108 -16.2108 -16.2104 -16.2104 -9.4976 -9.4976 -9.4743 -9.4743 -4.9950 -4.9950 -4.9616 -4.9616 -3.6086 -3.6086 -3.5587 -3.5587 -3.5441 -3.5441 -3.5075 -3.5075 -2.5880 -2.5880 -2.2233 -2.2233 -0.8321 -0.8321 -0.3873 -0.3873 -0.2129 -0.2129 -0.1659 -0.1659 -0.1493 -0.1493 -0.0879 -0.0879 0.3075 0.3075 0.3578 0.3578 0.6428 0.6428 0.6453 0.6453 1.2824 1.2824 1.3437 1.3437 1.5241 1.5241 1.6372 1.6372 2.1200 2.1200 2.1998 2.1998 7.4547 7.4547 7.5716 7.5716 7.8984 7.8984 8.0973 8.0973 8.1573 8.1573 8.7285 8.7285 k = 0.0000 0.1500 0.3076 ( 19114 PWs) bands (ev): -16.2105 -16.2105 -16.2100 -16.2100 -9.4986 -9.4986 -9.4696 -9.4696 -4.9986 -4.9986 -4.9605 -4.9605 -3.6161 -3.6161 -3.5656 -3.5656 -3.5422 -3.5422 -3.5050 -3.5050 -2.6563 -2.6563 -2.2230 -2.2230 -0.8342 -0.8342 -0.3387 -0.3387 -0.1900 -0.1900 -0.1808 -0.1808 -0.1491 -0.1491 -0.0881 -0.0881 0.2992 0.2992 0.3579 0.3579 0.6426 0.6426 0.6456 0.6456 1.2988 1.2988 1.3590 1.3590 1.5543 1.5543 1.6811 1.6811 2.1117 2.1117 2.2114 2.2114 7.4336 7.4336 7.5901 7.5901 7.8346 7.8346 7.9885 7.9885 8.1445 8.1445 8.6992 8.6992 k = 0.0000 0.1667 0.3076 ( 19128 PWs) bands (ev): -16.2103 -16.2103 -16.2096 -16.2096 -9.4998 -9.4998 -9.4646 -9.4646 -5.0025 -5.0025 -4.9594 -4.9594 -3.6245 -3.6245 -3.5725 -3.5725 -3.5404 -3.5404 -3.5026 -3.5026 -2.7245 -2.7245 -2.2227 -2.2227 -0.8365 -0.8365 -0.3296 -0.3296 -0.2033 -0.2033 -0.1509 -0.1509 -0.1176 -0.1176 -0.0879 -0.0879 0.2914 0.2914 0.3580 0.3580 0.6424 0.6424 0.6459 0.6459 1.3165 1.3165 1.3717 1.3717 1.5896 1.5896 1.7277 1.7277 2.1026 2.1026 2.2241 2.2241 7.4066 7.4066 7.6101 7.6101 7.7690 7.7690 7.8783 7.8783 8.1350 8.1350 8.6703 8.6703 k = 0.0000 0.1833 0.3076 ( 19128 PWs) bands (ev): -16.2100 -16.2100 -16.2092 -16.2092 -9.5010 -9.5010 -9.4592 -9.4592 -5.0065 -5.0065 -4.9583 -4.9583 -3.6339 -3.6339 -3.5791 -3.5791 -3.5386 -3.5386 -3.5004 -3.5004 -2.7917 -2.7917 -2.2224 -2.2224 -0.8389 -0.8389 -0.3404 -0.3404 -0.2229 -0.2229 -0.1503 -0.1503 -0.0894 -0.0894 -0.0285 -0.0285 0.2843 0.2843 0.3582 0.3582 0.6422 0.6422 0.6464 0.6464 1.3352 1.3352 1.3822 1.3822 1.6290 1.6290 1.7765 1.7765 2.0929 2.0929 2.2378 2.2378 7.3733 7.3733 7.6297 7.6297 7.7041 7.7041 7.7704 7.7704 8.1261 8.1261 8.6422 8.6422 k = 0.0000 0.2000 0.3076 ( 19134 PWs) bands (ev): -16.2097 -16.2097 -16.2088 -16.2088 -9.5023 -9.5023 -9.4535 -9.4535 -5.0106 -5.0106 -4.9572 -4.9572 -3.6445 -3.6445 -3.5852 -3.5852 -3.5369 -3.5369 -3.4983 -3.4983 -2.8571 -2.8571 -2.2221 -2.2221 -0.8414 -0.8414 -0.3578 -0.3578 -0.2432 -0.2432 -0.1502 -0.1502 -0.0896 -0.0896 0.0671 0.0671 0.2780 0.2780 0.3584 0.3584 0.6420 0.6420 0.6469 0.6469 1.3547 1.3547 1.3912 1.3912 1.6713 1.6713 1.8267 1.8267 2.0827 2.0827 2.2526 2.2526 7.3338 7.3338 7.6216 7.6216 7.6518 7.6518 7.6816 7.6816 8.1178 8.1178 8.6151 8.6151 k = 0.0000 0.2167 0.3076 ( 19128 PWs) bands (ev): -16.2094 -16.2094 -16.2084 -16.2084 -9.5036 -9.5036 -9.4475 -9.4475 -5.0148 -5.0148 -4.9561 -4.9561 -3.6563 -3.6563 -3.5907 -3.5907 -3.5352 -3.5352 -3.4965 -3.4965 -2.9203 -2.9203 -2.2218 -2.2218 -0.8440 -0.8440 -0.3776 -0.3776 -0.2637 -0.2637 -0.1502 -0.1502 -0.0899 -0.0899 0.1647 0.1647 0.2731 0.2731 0.3589 0.3589 0.6417 0.6417 0.6476 0.6476 1.3747 1.3747 1.3991 1.3991 1.7154 1.7154 1.8775 1.8775 2.0724 2.0724 2.2682 2.2682 7.2882 7.2882 7.5562 7.5562 7.5615 7.5615 7.6934 7.6934 8.1100 8.1100 8.5892 8.5892 k = 0.0000 0.2333 0.3076 ( 19132 PWs) bands (ev): -16.2091 -16.2091 -16.2079 -16.2079 -9.5050 -9.5050 -9.4414 -9.4414 -5.0191 -5.0191 -4.9550 -4.9550 -3.6692 -3.6692 -3.5956 -3.5956 -3.5336 -3.5336 -3.4949 -3.4949 -2.9807 -2.9807 -2.2215 -2.2215 -0.8467 -0.8467 -0.3983 -0.3983 -0.2841 -0.2841 -0.1503 -0.1503 -0.0904 -0.0904 0.2492 0.2492 0.2818 0.2818 0.3605 0.3605 0.6416 0.6416 0.6485 0.6485 1.3949 1.3949 1.4064 1.4064 1.7602 1.7602 1.9275 1.9275 2.0631 2.0631 2.2846 2.2846 7.2374 7.2374 7.4564 7.4564 7.4967 7.4967 7.7203 7.7203 8.1028 8.1028 8.5647 8.5647 k = 0.0000 0.2500 0.3076 ( 19158 PWs) bands (ev): -16.2087 -16.2087 -16.2075 -16.2075 -9.5064 -9.5064 -9.4352 -9.4352 -5.0233 -5.0233 -4.9539 -4.9539 -3.6832 -3.6832 -3.5999 -3.5999 -3.5321 -3.5321 -3.4936 -3.4936 -3.0378 -3.0378 -2.2212 -2.2212 -0.8494 -0.8494 -0.4192 -0.4192 -0.3043 -0.3043 -0.1503 -0.1503 -0.0908 -0.0908 0.2576 0.2576 0.3470 0.3470 0.3817 0.3817 0.6414 0.6414 0.6499 0.6499 1.4119 1.4119 1.4165 1.4165 1.8048 1.8048 1.9727 1.9727 2.0585 2.0585 2.3019 2.3019 7.1822 7.1822 7.3597 7.3597 7.4326 7.4326 7.7501 7.7501 8.0963 8.0963 8.5417 8.5417 k = 0.0000 0.2667 0.3076 ( 19150 PWs) bands (ev): -16.2084 -16.2084 -16.2070 -16.2070 -9.5077 -9.5077 -9.4290 -9.4290 -5.0276 -5.0276 -4.9529 -4.9529 -3.6981 -3.6981 -3.6037 -3.6037 -3.5307 -3.5307 -3.4923 -3.4923 -3.0913 -3.0913 -2.2209 -2.2209 -0.8522 -0.8522 -0.4397 -0.4397 -0.3240 -0.3240 -0.1504 -0.1504 -0.0912 -0.0912 0.2544 0.2544 0.3552 0.3552 0.4700 0.4700 0.6414 0.6414 0.6524 0.6524 1.4187 1.4187 1.4361 1.4361 1.8474 1.8474 2.0006 2.0006 2.0715 2.0715 2.3199 2.3199 7.1234 7.1234 7.2673 7.2673 7.3702 7.3702 7.7818 7.7818 8.0905 8.0905 8.5203 8.5203 k = 0.0000 0.2833 0.3076 ( 19150 PWs) bands (ev): -16.2081 -16.2081 -16.2066 -16.2066 -9.5091 -9.5091 -9.4228 -9.4228 -5.0319 -5.0319 -4.9518 -4.9518 -3.7138 -3.7138 -3.6071 -3.6071 -3.5294 -3.5294 -3.4913 -3.4913 -3.1410 -3.1410 -2.2206 -2.2206 -0.8549 -0.8549 -0.4596 -0.4596 -0.3431 -0.3431 -0.1505 -0.1505 -0.0917 -0.0917 0.2508 0.2508 0.3563 0.3563 0.5599 0.5599 0.6416 0.6416 0.6598 0.6598 1.4247 1.4247 1.4559 1.4559 1.8856 1.8856 2.0055 2.0055 2.1091 2.1091 2.3386 2.3386 7.0620 7.0620 7.1798 7.1798 7.3098 7.3098 7.8148 7.8148 8.0857 8.0857 8.5006 8.5006 k = 0.0000 0.3000 0.3076 ( 19156 PWs) bands (ev): -16.2078 -16.2078 -16.2061 -16.2061 -9.5104 -9.5104 -9.4167 -9.4167 -5.0360 -5.0360 -4.9508 -4.9508 -3.7300 -3.7300 -3.6101 -3.6101 -3.5282 -3.5282 -3.4904 -3.4904 -3.1867 -3.1867 -2.2203 -2.2203 -0.8575 -0.8575 -0.4786 -0.4786 -0.3613 -0.3613 -0.1505 -0.1505 -0.0921 -0.0921 0.2476 0.2476 0.3566 0.3566 0.6202 0.6202 0.6424 0.6424 0.6953 0.6953 1.4304 1.4304 1.4751 1.4751 1.9133 1.9133 2.0082 2.0082 2.1554 2.1554 2.3580 2.3580 6.9988 6.9988 7.0981 7.0981 7.2518 7.2518 7.8485 7.8485 8.0822 8.0822 8.4824 8.4824 k = 0.0000 0.3167 0.3076 ( 19172 PWs) bands (ev): -16.2075 -16.2075 -16.2057 -16.2057 -9.5117 -9.5117 -9.4108 -9.4108 -5.0400 -5.0400 -4.9498 -4.9498 -3.7465 -3.7465 -3.6127 -3.6127 -3.5272 -3.5272 -3.4896 -3.4896 -3.2281 -3.2281 -2.2200 -2.2200 -0.8601 -0.8601 -0.4966 -0.4966 -0.3784 -0.3784 -0.1506 -0.1506 -0.0925 -0.0925 0.2446 0.2446 0.3568 0.3568 0.6339 0.6339 0.6437 0.6437 0.7747 0.7747 1.4357 1.4357 1.4935 1.4935 1.9220 1.9220 2.0238 2.0238 2.2024 2.2024 2.3780 2.3780 6.9345 6.9345 7.0229 7.0229 7.1965 7.1965 7.8823 7.8823 8.0805 8.0805 8.4660 8.4660 k = 0.0000 0.3333 0.3076 ( 19176 PWs) bands (ev): -16.2072 -16.2072 -16.2053 -16.2053 -9.5130 -9.5130 -9.4051 -9.4051 -5.0438 -5.0438 -4.9489 -4.9489 -3.7631 -3.7631 -3.6150 -3.6150 -3.5264 -3.5264 -3.4888 -3.4888 -3.2653 -3.2653 -2.2197 -2.2197 -0.8626 -0.8626 -0.5134 -0.5134 -0.3945 -0.3945 -0.1507 -0.1507 -0.0929 -0.0929 0.2420 0.2420 0.3569 0.3569 0.6365 0.6365 0.6450 0.6450 0.8627 0.8627 1.4408 1.4408 1.5109 1.5109 1.9139 1.9139 2.0511 2.0511 2.2480 2.2480 2.3987 2.3987 6.8701 6.8701 6.9546 6.9546 7.1443 7.1443 7.9148 7.9148 8.0815 8.0815 8.4512 8.4512 k = 0.0000 0.3500 0.3076 ( 19186 PWs) bands (ev): -16.2070 -16.2070 -16.2049 -16.2049 -9.5141 -9.5141 -9.3997 -9.3997 -5.0474 -5.0474 -4.9480 -4.9480 -3.7796 -3.7796 -3.6171 -3.6171 -3.5258 -3.5258 -3.4882 -3.4882 -3.2982 -3.2982 -2.2195 -2.2195 -0.8649 -0.8649 -0.5289 -0.5289 -0.4093 -0.4093 -0.1507 -0.1507 -0.0933 -0.0933 0.2397 0.2397 0.3570 0.3570 0.6372 0.6372 0.6461 0.6461 0.9498 0.9498 1.4456 1.4456 1.5271 1.5271 1.8971 1.8971 2.0819 2.0819 2.2908 2.2908 2.4199 2.4199 6.8070 6.8070 6.8931 6.8931 7.0956 7.0956 7.9441 7.9441 8.0870 8.0870 8.4379 8.4379 k = 0.0000 0.3667 0.3076 ( 19174 PWs) bands (ev): -16.2067 -16.2067 -16.2046 -16.2046 -9.5152 -9.5152 -9.3947 -9.3947 -5.0508 -5.0508 -4.9471 -4.9471 -3.7955 -3.7955 -3.6190 -3.6190 -3.5253 -3.5253 -3.4875 -3.4875 -3.3270 -3.3270 -2.2193 -2.2193 -0.8671 -0.8671 -0.5430 -0.5430 -0.4228 -0.4228 -0.1508 -0.1508 -0.0936 -0.0936 0.2377 0.2377 0.3570 0.3570 0.6373 0.6373 0.6469 0.6469 1.0343 1.0343 1.4500 1.4500 1.5419 1.5419 1.8756 1.8756 2.1119 2.1119 2.3301 2.3301 2.4416 2.4416 6.7468 6.7468 6.8380 6.8380 7.0508 7.0508 7.9675 7.9675 8.0993 8.0993 8.4263 8.4263 k = 0.0000 0.3833 0.3076 ( 19162 PWs) bands (ev): -16.2065 -16.2065 -16.2043 -16.2043 -9.5162 -9.5162 -9.3901 -9.3901 -5.0538 -5.0538 -4.9464 -4.9464 -3.8106 -3.8106 -3.6207 -3.6207 -3.5249 -3.5249 -3.4869 -3.4869 -3.3518 -3.3518 -2.2191 -2.2191 -0.8690 -0.8690 -0.5557 -0.5557 -0.4349 -0.4349 -0.1508 -0.1508 -0.0939 -0.0939 0.2359 0.2359 0.3570 0.3570 0.6373 0.6373 0.6475 0.6475 1.1155 1.1155 1.4540 1.4540 1.5552 1.5552 1.8506 1.8506 2.1395 2.1395 2.3651 2.3651 2.4635 2.4635 6.6911 6.6911 6.7889 6.7889 7.0103 7.0103 7.9832 7.9832 8.1198 8.1198 8.4162 8.4162 k = 0.0000 0.4000 0.3076 ( 19146 PWs) bands (ev): -16.2063 -16.2063 -16.2040 -16.2040 -9.5171 -9.5171 -9.3860 -9.3860 -5.0565 -5.0565 -4.9457 -4.9457 -3.8246 -3.8246 -3.6221 -3.6221 -3.5247 -3.5247 -3.4864 -3.4864 -3.3727 -3.3727 -2.2189 -2.2189 -0.8708 -0.8708 -0.5667 -0.5667 -0.4455 -0.4455 -0.1509 -0.1509 -0.0942 -0.0942 0.2345 0.2345 0.3570 0.3570 0.6373 0.6373 0.6480 0.6480 1.1929 1.1929 1.4576 1.4576 1.5669 1.5669 1.8227 1.8227 2.1638 2.1638 2.3954 2.3954 2.4852 2.4852 6.6409 6.6409 6.7458 6.7458 6.9744 6.9744 7.9919 7.9919 8.1470 8.1470 8.4076 8.4076 k = 0.0000 0.4167 0.3076 ( 19154 PWs) bands (ev): -16.2061 -16.2061 -16.2037 -16.2037 -9.5178 -9.5178 -9.3825 -9.3825 -5.0589 -5.0589 -4.9450 -4.9450 -3.8370 -3.8370 -3.6234 -3.6234 -3.5245 -3.5245 -3.4858 -3.4858 -3.3900 -3.3900 -2.2188 -2.2188 -0.8723 -0.8723 -0.5762 -0.5762 -0.4546 -0.4546 -0.1509 -0.1509 -0.0945 -0.0945 0.2333 0.2333 0.3570 0.3570 0.6372 0.6372 0.6484 0.6484 1.2663 1.2663 1.4607 1.4607 1.5769 1.5769 1.7920 1.7920 2.1845 2.1845 2.4208 2.4208 2.5059 2.5059 6.5971 6.5971 6.7087 6.7087 6.9435 6.9435 7.9959 7.9959 8.1778 8.1778 8.4004 8.4004 k = 0.0000 0.4333 0.3076 ( 19158 PWs) bands (ev): -16.2060 -16.2060 -16.2035 -16.2035 -9.5184 -9.5184 -9.3795 -9.3795 -5.0609 -5.0609 -4.9445 -4.9445 -3.8476 -3.8476 -3.6245 -3.6245 -3.5244 -3.5244 -3.4853 -3.4853 -3.4039 -3.4039 -2.2186 -2.2186 -0.8736 -0.8736 -0.5840 -0.5840 -0.4620 -0.4620 -0.1510 -0.1510 -0.0946 -0.0946 0.2323 0.2323 0.3570 0.3570 0.6371 0.6371 0.6487 0.6487 1.3352 1.3352 1.4634 1.4634 1.5850 1.5850 1.7586 1.7586 2.2014 2.2014 2.4412 2.4412 2.5246 2.5246 6.5604 6.5604 6.6780 6.6780 6.9179 6.9179 7.9974 7.9974 8.2089 8.2089 8.3946 8.3946 k = 0.0000 0.4500 0.3076 ( 19152 PWs) bands (ev): -16.2058 -16.2058 -16.2034 -16.2034 -9.5189 -9.5189 -9.3771 -9.3771 -5.0625 -5.0625 -4.9441 -4.9441 -3.8562 -3.8562 -3.6254 -3.6254 -3.5244 -3.5244 -3.4849 -3.4849 -3.4145 -3.4145 -2.2185 -2.2185 -0.8746 -0.8746 -0.5901 -0.5901 -0.4679 -0.4679 -0.1510 -0.1510 -0.0948 -0.0948 0.2315 0.2315 0.3570 0.3570 0.6370 0.6370 0.6490 0.6490 1.3992 1.3992 1.4655 1.4655 1.5909 1.5909 1.7228 1.7228 2.2146 2.2146 2.4570 2.4570 2.5404 2.5404 6.5314 6.5314 6.6538 6.6538 6.8977 6.8977 7.9977 7.9977 8.2374 8.2374 8.3901 8.3901 k = 0.0000 0.4667 0.3076 ( 19172 PWs) bands (ev): -16.2058 -16.2058 -16.2033 -16.2033 -9.5193 -9.5193 -9.3754 -9.3754 -5.0636 -5.0636 -4.9438 -4.9438 -3.8624 -3.8624 -3.6260 -3.6260 -3.5243 -3.5243 -3.4846 -3.4846 -3.4220 -3.4220 -2.2185 -2.2185 -0.8753 -0.8753 -0.5945 -0.5945 -0.4721 -0.4721 -0.1510 -0.1510 -0.0949 -0.0949 0.2310 0.2310 0.3570 0.3570 0.6370 0.6370 0.6491 0.6491 1.4565 1.4565 1.4685 1.4685 1.5940 1.5940 1.6857 1.6857 2.2239 2.2239 2.4682 2.4682 2.5522 2.5522 6.5103 6.5103 6.6363 6.6363 6.8831 6.8831 7.9975 7.9975 8.2606 8.2606 8.3870 8.3870 k = 0.0000 0.4833 0.3076 ( 19180 PWs) bands (ev): -16.2057 -16.2057 -16.2032 -16.2032 -9.5195 -9.5195 -9.3744 -9.3744 -5.0643 -5.0643 -4.9436 -4.9436 -3.8662 -3.8662 -3.6264 -3.6264 -3.5243 -3.5243 -3.4844 -3.4844 -3.4264 -3.4264 -2.2184 -2.2184 -0.8758 -0.8758 -0.5971 -0.5971 -0.4746 -0.4746 -0.1511 -0.1511 -0.0950 -0.0950 0.2307 0.2307 0.3570 0.3570 0.6369 0.6369 0.6492 0.6492 1.4672 1.4672 1.5094 1.5094 1.5918 1.5918 1.6520 1.6520 2.2295 2.2295 2.4749 2.4749 2.5596 2.5596 6.4976 6.4976 6.6257 6.6257 6.8743 6.8743 7.9973 7.9973 8.2759 8.2759 8.3851 8.3851 k = 0.0000 0.5000 0.3076 ( 19192 PWs) bands (ev): -16.2057 -16.2057 -16.2032 -16.2032 -9.5196 -9.5196 -9.3741 -9.3741 -5.0645 -5.0645 -4.9436 -4.9436 -3.8675 -3.8675 -3.6266 -3.6266 -3.5243 -3.5243 -3.4843 -3.4843 -3.4279 -3.4279 -2.2184 -2.2184 -0.8759 -0.8759 -0.5980 -0.5980 -0.4754 -0.4754 -0.1511 -0.1511 -0.0950 -0.0950 0.2306 0.2306 0.3570 0.3570 0.6369 0.6369 0.6493 0.6493 1.4677 1.4677 1.5369 1.5369 1.5842 1.5842 1.6370 1.6370 2.2314 2.2314 2.4772 2.4772 2.5621 2.5621 6.4933 6.4933 6.6222 6.6222 6.8714 6.8714 7.9972 7.9972 8.2812 8.2812 8.3845 8.3845 k = 0.0000 0.5000 0.3076 ( 19192 PWs) bands (ev): -16.2057 -16.2057 -16.2032 -16.2032 -9.5196 -9.5196 -9.3741 -9.3741 -5.0645 -5.0645 -4.9436 -4.9436 -3.8675 -3.8675 -3.6266 -3.6266 -3.5243 -3.5243 -3.4843 -3.4843 -3.4279 -3.4279 -2.2184 -2.2184 -0.8759 -0.8759 -0.5980 -0.5980 -0.4754 -0.4754 -0.1511 -0.1511 -0.0950 -0.0950 0.2306 0.2306 0.3570 0.3570 0.6369 0.6369 0.6493 0.6493 1.4677 1.4677 1.5369 1.5369 1.5842 1.5842 1.6370 1.6370 2.2314 2.2314 2.4772 2.4772 2.5621 2.5621 6.4933 6.4933 6.6222 6.6222 6.8714 6.8714 7.9972 7.9972 8.2812 8.2812 8.3845 8.3845 k = 0.0167 0.5000 0.3076 ( 19176 PWs) bands (ev): -16.2057 -16.2057 -16.2031 -16.2031 -9.5193 -9.5193 -9.3741 -9.3741 -5.0644 -5.0644 -4.9438 -4.9438 -3.8672 -3.8672 -3.6267 -3.6267 -3.5244 -3.5244 -3.4848 -3.4848 -3.4281 -3.4281 -2.2271 -2.2271 -0.8659 -0.8659 -0.5978 -0.5978 -0.4754 -0.4754 -0.1523 -0.1523 -0.0960 -0.0960 0.2306 0.2306 0.3561 0.3561 0.6370 0.6370 0.6493 0.6493 1.4709 1.4709 1.5373 1.5373 1.5843 1.5843 1.6396 1.6396 2.2309 2.2309 2.4775 2.4775 2.5623 2.5623 6.4895 6.4895 6.6207 6.6207 6.8661 6.8661 7.9941 7.9941 8.2842 8.2842 8.3906 8.3906 k = 0.0333 0.5000 0.3076 ( 19160 PWs) bands (ev): -16.2056 -16.2056 -16.2031 -16.2031 -9.5184 -9.5184 -9.3744 -9.3744 -5.0642 -5.0642 -4.9444 -4.9444 -3.8664 -3.8664 -3.6270 -3.6270 -3.5246 -3.5246 -3.4863 -3.4863 -3.4285 -3.4285 -2.2523 -2.2523 -0.8366 -0.8366 -0.5973 -0.5973 -0.4754 -0.4754 -0.1558 -0.1558 -0.0989 -0.0989 0.2309 0.2309 0.3534 0.3534 0.6373 0.6373 0.6494 0.6494 1.4804 1.4804 1.5384 1.5384 1.5847 1.5847 1.6475 1.6475 2.2295 2.2295 2.4785 2.4785 2.5629 2.5629 6.4782 6.4782 6.6166 6.6166 6.8506 6.8506 7.9843 7.9843 8.2931 8.2931 8.4087 8.4087 k = 0.0500 0.5000 0.3076 ( 19176 PWs) bands (ev): -16.2055 -16.2055 -16.2030 -16.2030 -9.5168 -9.5168 -9.3747 -9.3747 -5.0639 -5.0639 -4.9454 -4.9454 -3.8650 -3.8650 -3.6276 -3.6276 -3.5249 -3.5249 -3.4887 -3.4887 -3.4292 -3.4292 -2.2919 -2.2919 -0.7903 -0.7903 -0.5963 -0.5963 -0.4754 -0.4754 -0.1614 -0.1614 -0.1038 -0.1038 0.2313 0.2313 0.3491 0.3491 0.6377 0.6377 0.6496 0.6496 1.4959 1.4959 1.5403 1.5403 1.5852 1.5852 1.6606 1.6606 2.2271 2.2271 2.4801 2.4801 2.5640 2.5640 6.4597 6.4597 6.6100 6.6100 6.8255 6.8255 7.9661 7.9661 8.3079 8.3079 8.4379 8.4379 k = 0.0667 0.5000 0.3076 ( 19172 PWs) bands (ev): -16.2053 -16.2053 -16.2029 -16.2029 -9.5147 -9.5147 -9.3752 -9.3752 -5.0634 -5.0634 -4.9469 -4.9469 -3.8631 -3.8631 -3.6284 -3.6284 -3.5255 -3.5255 -3.4919 -3.4919 -3.4303 -3.4303 -2.3431 -2.3431 -0.7299 -0.7299 -0.5951 -0.5951 -0.4753 -0.4753 -0.1689 -0.1689 -0.1105 -0.1105 0.2318 0.2318 0.3435 0.3435 0.6382 0.6382 0.6498 0.6498 1.5163 1.5163 1.5434 1.5434 1.5859 1.5859 1.6790 1.6790 2.2237 2.2237 2.4823 2.4823 2.5654 2.5654 6.4344 6.4344 6.6015 6.6015 6.7922 6.7922 7.9375 7.9375 8.3284 8.3284 8.4770 8.4770 k = 0.0833 0.5000 0.3076 ( 19176 PWs) bands (ev): -16.2051 -16.2051 -16.2028 -16.2028 -9.5120 -9.5120 -9.3758 -9.3758 -5.0627 -5.0627 -4.9487 -4.9487 -3.8606 -3.8606 -3.6293 -3.6293 -3.5265 -3.5265 -3.4958 -3.4958 -3.4318 -3.4318 -2.4031 -2.4031 -0.6588 -0.6588 -0.5935 -0.5935 -0.4753 -0.4753 -0.1776 -0.1776 -0.1190 -0.1190 0.2324 0.2324 0.3369 0.3369 0.6389 0.6389 0.6501 0.6501 1.5353 1.5353 1.5534 1.5534 1.5869 1.5869 1.7025 1.7025 2.2195 2.2195 2.4850 2.4850 2.5672 2.5672 6.4030 6.4030 6.5912 6.5912 6.7518 6.7518 7.8971 7.8971 8.3545 8.3545 8.5245 8.5245 k = 0.1000 0.5000 0.3076 ( 19176 PWs) bands (ev): -16.2049 -16.2049 -16.2026 -16.2026 -9.5087 -9.5087 -9.3766 -9.3766 -5.0620 -5.0620 -4.9508 -4.9508 -3.8576 -3.8576 -3.6303 -3.6303 -3.5281 -3.5281 -3.4999 -3.4999 -3.4337 -3.4337 -2.4693 -2.4693 -0.5923 -0.5923 -0.5794 -0.5794 -0.4752 -0.4752 -0.1868 -0.1868 -0.1292 -0.1292 0.2331 0.2331 0.3297 0.3297 0.6397 0.6397 0.6504 0.6504 1.5419 1.5419 1.5807 1.5807 1.5882 1.5882 1.7307 1.7307 2.2143 2.2143 2.4882 2.4882 2.5695 2.5695 6.3664 6.3664 6.5795 6.5795 6.7058 6.7058 7.8447 7.8447 8.3861 8.3861 8.5789 8.5789 k = 0.1167 0.5000 0.3076 ( 19172 PWs) bands (ev): -16.2046 -16.2046 -16.2024 -16.2024 -9.5050 -9.5050 -9.3774 -9.3774 -5.0611 -5.0611 -4.9533 -4.9533 -3.8541 -3.8541 -3.6315 -3.6315 -3.5306 -3.5306 -3.5040 -3.5040 -3.4360 -3.4360 -2.5396 -2.5396 -0.5897 -0.5897 -0.4972 -0.4972 -0.4751 -0.4751 -0.1947 -0.1947 -0.1408 -0.1408 0.2339 0.2339 0.3222 0.3222 0.6406 0.6406 0.6508 0.6508 1.5448 1.5448 1.5891 1.5891 1.6166 1.6166 1.7634 1.7634 2.2081 2.2081 2.4918 2.4918 2.5723 2.5723 6.3258 6.3258 6.5662 6.5662 6.6556 6.6556 7.7817 7.7817 8.4229 8.4229 8.6388 8.6388 k = 0.1333 0.5000 0.3076 ( 19184 PWs) bands (ev): -16.2043 -16.2043 -16.2022 -16.2022 -9.5007 -9.5007 -9.3784 -9.3784 -5.0601 -5.0601 -4.9561 -4.9561 -3.8500 -3.8500 -3.6328 -3.6328 -3.5341 -3.5341 -3.5078 -3.5078 -3.4387 -3.4387 -2.6124 -2.6124 -0.5874 -0.5874 -0.4749 -0.4749 -0.4166 -0.4166 -0.1972 -0.1972 -0.1532 -0.1532 0.2348 0.2348 0.3146 0.3146 0.6416 0.6416 0.6512 0.6512 1.5473 1.5473 1.5906 1.5906 1.6565 1.6565 1.7999 1.7999 2.2012 2.2012 2.4957 2.4957 2.5754 2.5754 6.2820 6.2820 6.5506 6.5506 6.6031 6.6031 7.7099 7.7099 8.4646 8.4646 8.7030 8.7030 k = 0.1500 0.5000 0.3076 ( 19184 PWs) bands (ev): -16.2040 -16.2040 -16.2020 -16.2020 -9.4960 -9.4960 -9.3795 -9.3795 -5.0590 -5.0590 -4.9592 -4.9592 -3.8455 -3.8455 -3.6341 -3.6341 -3.5389 -3.5389 -3.5111 -3.5111 -3.4420 -3.4420 -2.6864 -2.6864 -0.5849 -0.5849 -0.4748 -0.4748 -0.3517 -0.3517 -0.1867 -0.1867 -0.1612 -0.1612 0.2358 0.2358 0.3073 0.3073 0.6427 0.6427 0.6517 0.6517 1.5496 1.5496 1.5921 1.5921 1.7000 1.7000 1.8399 1.8399 2.1934 2.1934 2.4998 2.4998 2.5790 2.5790 6.2361 6.2361 6.5264 6.5264 6.5557 6.5557 7.6313 7.6313 8.5109 8.5109 8.7703 8.7703 k = 0.1667 0.5000 0.3076 ( 19172 PWs) bands (ev): -16.2036 -16.2036 -16.2017 -16.2017 -9.4910 -9.4910 -9.3806 -9.3806 -5.0577 -5.0577 -4.9625 -4.9625 -3.8404 -3.8404 -3.6355 -3.6355 -3.5448 -3.5448 -3.5140 -3.5140 -3.4456 -3.4456 -2.7605 -2.7605 -0.5823 -0.5823 -0.4746 -0.4746 -0.3210 -0.3210 -0.1893 -0.1893 -0.1211 -0.1211 0.2369 0.2369 0.3003 0.3003 0.6439 0.6439 0.6522 0.6522 1.5519 1.5519 1.5937 1.5937 1.7462 1.7462 1.8828 1.8828 2.1849 2.1849 2.5041 2.5041 2.5830 2.5830 6.1889 6.1889 6.4781 6.4781 6.5297 6.5297 7.5479 7.5479 8.5614 8.5614 8.8396 8.8396 k = 0.1833 0.5000 0.3076 ( 19188 PWs) bands (ev): -16.2032 -16.2032 -16.2014 -16.2014 -9.4855 -9.4855 -9.3818 -9.3818 -5.0564 -5.0564 -4.9660 -4.9660 -3.8349 -3.8349 -3.6370 -3.6370 -3.5514 -3.5514 -3.5165 -3.5165 -3.4497 -3.4497 -2.8340 -2.8340 -0.5795 -0.5795 -0.4744 -0.4744 -0.3180 -0.3180 -0.2042 -0.2042 -0.0404 -0.0404 0.2381 0.2381 0.2939 0.2939 0.6452 0.6452 0.6527 0.6527 1.5542 1.5542 1.5954 1.5954 1.7946 1.7946 1.9279 1.9279 2.1759 2.1759 2.5086 2.5086 2.5874 2.5874 6.1411 6.1411 6.4200 6.4200 6.5116 6.5116 7.4612 7.4612 8.6156 8.6156 8.9101 8.9101 k = 0.2000 0.5000 0.3076 ( 19180 PWs) bands (ev): -16.2028 -16.2028 -16.2012 -16.2012 -9.4798 -9.4798 -9.3831 -9.3831 -5.0550 -5.0550 -4.9697 -4.9697 -3.8289 -3.8289 -3.6386 -3.6386 -3.5585 -3.5585 -3.5190 -3.5190 -3.4543 -3.4543 -2.9062 -2.9062 -0.5767 -0.5767 -0.4743 -0.4743 -0.3265 -0.3265 -0.2209 -0.2209 0.0535 0.0535 0.2397 0.2397 0.2880 0.2880 0.6465 0.6465 0.6533 0.6533 1.5566 1.5566 1.5972 1.5972 1.8444 1.8444 1.9745 1.9745 2.1670 2.1670 2.5130 2.5130 2.5922 2.5922 6.0935 6.0935 6.3600 6.3600 6.4944 6.4944 7.3725 7.3725 8.6731 8.6731 8.9811 8.9811 k = 0.2167 0.5000 0.3076 ( 19176 PWs) bands (ev): -16.2024 -16.2024 -16.2009 -16.2009 -9.4739 -9.4739 -9.3844 -9.3844 -5.0535 -5.0535 -4.9735 -4.9735 -3.8224 -3.8224 -3.6404 -3.6404 -3.5657 -3.5657 -3.5215 -3.5215 -3.4592 -3.4592 -2.9765 -2.9765 -0.5739 -0.5739 -0.4743 -0.4743 -0.3391 -0.3391 -0.2382 -0.2382 0.1509 0.1509 0.2428 0.2428 0.2826 0.2826 0.6479 0.6479 0.6538 0.6538 1.5590 1.5590 1.5990 1.5990 1.8947 1.8947 2.0211 2.0211 2.1593 2.1593 2.5174 2.5174 2.5973 2.5973 6.0464 6.0464 6.2994 6.2994 6.4772 6.4772 7.2829 7.2829 8.7332 8.7332 9.0518 9.0518 k = 0.2333 0.5000 0.3076 ( 19168 PWs) bands (ev): -16.2020 -16.2020 -16.2006 -16.2006 -9.4678 -9.4678 -9.3858 -9.3858 -5.0520 -5.0520 -4.9774 -4.9774 -3.8155 -3.8155 -3.6424 -3.6424 -3.5728 -3.5728 -3.5243 -3.5243 -3.4645 -3.4645 -3.0446 -3.0446 -0.5710 -0.5710 -0.4744 -0.4744 -0.3533 -0.3533 -0.2557 -0.2557 0.2273 0.2273 0.2687 0.2687 0.2779 0.2779 0.6495 0.6495 0.6543 0.6543 1.5614 1.5614 1.6008 1.6008 1.9440 1.9440 2.0647 2.0647 2.1567 2.1567 2.5217 2.5217 2.6025 2.6025 6.0005 6.0005 6.2389 6.2389 6.4600 6.4600 7.1933 7.1933 8.7955 8.7955 9.1216 9.1216 k = 0.2500 0.5000 0.3076 ( 19168 PWs) bands (ev): -16.2015 -16.2015 -16.2003 -16.2003 -9.4616 -9.4616 -9.3872 -9.3872 -5.0504 -5.0504 -4.9814 -4.9814 -3.8083 -3.8083 -3.6448 -3.6448 -3.5794 -3.5794 -3.5272 -3.5272 -3.4702 -3.4702 -3.1100 -3.1100 -0.5682 -0.5682 -0.4748 -0.4748 -0.3677 -0.3677 -0.2732 -0.2732 0.2375 0.2375 0.2737 0.2737 0.3609 0.3609 0.6512 0.6512 0.6549 0.6549 1.5639 1.5639 1.6026 1.6026 1.9891 1.9891 2.0971 2.0971 2.1694 2.1694 2.5260 2.5260 2.6080 2.6080 5.9561 5.9561 6.1789 6.1789 6.4429 6.4429 7.1045 7.1045 8.8591 8.8591 9.1899 9.1899 k = 0.2667 0.5000 0.3076 ( 19172 PWs) bands (ev): -16.2011 -16.2011 -16.2000 -16.2000 -9.4554 -9.4554 -9.3885 -9.3885 -5.0488 -5.0488 -4.9853 -4.9853 -3.8006 -3.8006 -3.6476 -3.6476 -3.5855 -3.5855 -3.5304 -3.5304 -3.4761 -3.4761 -3.1724 -3.1724 -0.5654 -0.5654 -0.4756 -0.4756 -0.3818 -0.3818 -0.2904 -0.2904 0.2397 0.2397 0.2700 0.2700 0.4601 0.4601 0.6535 0.6535 0.6554 0.6554 1.5665 1.5665 1.6043 1.6043 2.0213 2.0213 2.1190 2.1190 2.2042 2.2042 2.5301 2.5301 2.6135 2.6135 5.9135 5.9135 6.1198 6.1198 6.4260 6.4260 7.0172 7.0172 8.9236 8.9236 9.2561 9.2561 k = 0.2833 0.5000 0.3076 ( 19152 PWs) bands (ev): -16.2007 -16.2007 -16.1997 -16.1997 -9.4492 -9.4492 -9.3899 -9.3899 -5.0472 -5.0472 -4.9893 -4.9893 -3.7926 -3.7926 -3.6510 -3.6510 -3.5907 -3.5907 -3.5339 -3.5339 -3.4823 -3.4823 -3.2316 -3.2316 -0.5627 -0.5627 -0.4770 -0.4770 -0.3950 -0.3950 -0.3072 -0.3072 0.2411 0.2411 0.2667 0.2667 0.5568 0.5568 0.6559 0.6559 0.6580 0.6580 1.5690 1.5690 1.6061 1.6061 2.0311 2.0311 2.1506 2.1506 2.2497 2.2497 2.5341 2.5341 2.6190 2.6190 5.8732 5.8732 6.0621 6.0621 6.4094 6.4094 6.9320 6.9320 8.9883 8.9883 9.3194 9.3194 k = 0.3000 0.5000 0.3076 ( 19160 PWs) bands (ev): -16.2002 -16.2002 -16.1994 -16.1994 -9.4431 -9.4431 -9.3912 -9.3912 -5.0455 -5.0455 -4.9931 -4.9931 -3.7843 -3.7843 -3.6550 -3.6550 -3.5950 -3.5950 -3.5376 -3.5376 -3.4887 -3.4887 -3.2872 -3.2872 -0.5601 -0.5601 -0.4791 -0.4791 -0.4068 -0.4068 -0.3233 -0.3233 0.2421 0.2421 0.2639 0.2639 0.6321 0.6321 0.6564 0.6564 0.6824 0.6824 1.5714 1.5714 1.6077 1.6077 2.0236 2.0236 2.1934 2.1934 2.2979 2.2979 2.5378 2.5378 2.6244 2.6244 5.8354 5.8354 6.0060 6.0060 6.3933 6.3933 6.8495 6.8495 9.0526 9.0526 9.3793 9.3793 k = 0.3167 0.5000 0.3076 ( 19144 PWs) bands (ev): -16.1998 -16.1998 -16.1991 -16.1991 -9.4371 -9.4371 -9.3925 -9.3925 -5.0439 -5.0439 -4.9969 -4.9969 -3.7758 -3.7758 -3.6594 -3.6594 -3.5984 -3.5984 -3.5416 -3.5416 -3.4953 -3.4953 -3.3390 -3.3390 -0.5576 -0.5576 -0.4824 -0.4824 -0.4167 -0.4167 -0.3387 -0.3387 0.2431 0.2431 0.2615 0.2615 0.6482 0.6482 0.6569 0.6569 0.7639 0.7639 1.5739 1.5739 1.6093 1.6093 2.0075 2.0075 2.2403 2.2403 2.3462 2.3462 2.5414 2.5414 2.6297 2.6297 5.8002 5.8002 5.9520 5.9520 6.3778 6.3778 6.7703 6.7703 9.1162 9.1162 9.4352 9.4353 k = 0.3333 0.5000 0.3076 ( 19128 PWs) bands (ev): -16.1994 -16.1994 -16.1988 -16.1988 -9.4314 -9.4314 -9.3938 -9.3938 -5.0422 -5.0422 -5.0005 -5.0005 -3.7670 -3.7670 -3.6642 -3.6642 -3.6011 -3.6011 -3.5458 -3.5458 -3.5019 -3.5019 -3.3869 -3.3869 -0.5552 -0.5552 -0.4868 -0.4868 -0.4246 -0.4246 -0.3532 -0.3532 0.2439 0.2439 0.2594 0.2594 0.6518 0.6518 0.6574 0.6574 0.8555 0.8555 1.5762 1.5762 1.6108 1.6108 1.9866 1.9866 2.2875 2.2875 2.3933 2.3933 2.5448 2.5448 2.6347 2.6347 5.7679 5.7679 5.9004 5.9004 6.3630 6.3630 6.6950 6.6950 9.1787 9.1787 9.4867 9.4867 k = 0.3500 0.5000 0.3076 ( 19116 PWs) bands (ev): -16.1991 -16.1991 -16.1985 -16.1985 -9.4261 -9.4261 -9.3949 -9.3949 -5.0406 -5.0406 -5.0040 -5.0040 -3.7581 -3.7581 -3.6692 -3.6692 -3.6033 -3.6033 -3.5500 -3.5500 -3.5087 -3.5087 -3.4304 -3.4304 -0.5529 -0.5529 -0.4923 -0.4923 -0.4303 -0.4303 -0.3666 -0.3666 0.2446 0.2446 0.2576 0.2576 0.6537 0.6537 0.6578 0.6578 0.9458 0.9458 1.5785 1.5785 1.6121 1.6121 1.9623 1.9623 2.3332 2.3332 2.4384 2.4384 2.5480 2.5480 2.6393 2.6393 5.7386 5.7386 5.8517 5.8517 6.3491 6.3491 6.6242 6.6242 9.2399 9.2399 9.5329 9.5330 k = 0.3667 0.5000 0.3076 ( 19128 PWs) bands (ev): -16.1987 -16.1987 -16.1983 -16.1983 -9.4211 -9.4211 -9.3960 -9.3960 -5.0390 -5.0390 -5.0073 -5.0073 -3.7491 -3.7491 -3.6741 -3.6741 -3.6052 -3.6052 -3.5541 -3.5541 -3.5158 -3.5158 -3.4691 -3.4691 -0.5508 -0.5508 -0.4987 -0.4987 -0.4342 -0.4342 -0.3790 -0.3790 0.2453 0.2453 0.2561 0.2561 0.6551 0.6551 0.6581 0.6581 1.0335 1.0335 1.5805 1.5805 1.6133 1.6133 1.9351 1.9351 2.3766 2.3766 2.4808 2.4808 2.5509 2.5509 2.6437 2.6437 5.7124 5.7124 5.8064 5.8064 6.3363 6.3363 6.5585 6.5585 9.2996 9.2996 9.5733 9.5733 k = 0.3833 0.5000 0.3076 ( 19120 PWs) bands (ev): -16.1984 -16.1984 -16.1981 -16.1981 -9.4165 -9.4165 -9.3970 -9.3970 -5.0374 -5.0374 -5.0104 -5.0104 -3.7401 -3.7401 -3.6789 -3.6789 -3.6073 -3.6073 -3.5582 -3.5582 -3.5244 -3.5244 -3.5014 -3.5014 -0.5489 -0.5489 -0.5053 -0.5053 -0.4367 -0.4367 -0.3901 -0.3901 0.2460 0.2460 0.2548 0.2548 0.6562 0.6562 0.6585 0.6585 1.1179 1.1179 1.5825 1.5825 1.6145 1.6145 1.9049 1.9049 2.4167 2.4167 2.5200 2.5200 2.5535 2.5535 2.6476 2.6476 5.6894 5.6894 5.7649 5.7649 6.3246 6.3246 6.4985 6.4985 9.3579 9.3579 9.6078 9.6078 k = 0.4000 0.5000 0.3076 ( 19128 PWs) bands (ev): -16.1981 -16.1981 -16.1979 -16.1979 -9.4124 -9.4124 -9.3979 -9.3979 -5.0359 -5.0359 -5.0133 -5.0133 -3.7312 -3.7312 -3.6833 -3.6833 -3.6098 -3.6098 -3.5627 -3.5627 -3.5401 -3.5401 -3.5206 -3.5206 -0.5471 -0.5471 -0.5118 -0.5118 -0.4382 -0.4382 -0.4000 -0.4000 0.2466 0.2466 0.2537 0.2537 0.6572 0.6572 0.6588 0.6588 1.1989 1.1989 1.5842 1.5842 1.6154 1.6154 1.8718 1.8718 2.4531 2.4531 2.5535 2.5535 2.5576 2.5576 2.6510 2.6510 5.6696 5.6696 5.7277 5.7277 6.3143 6.3143 6.4447 6.4447 9.4147 9.4147 9.6365 9.6366 k = 0.4167 0.5000 0.3076 ( 19120 PWs) bands (ev): -16.1979 -16.1979 -16.1977 -16.1977 -9.4089 -9.4089 -9.3986 -9.3986 -5.0343 -5.0343 -5.0160 -5.0160 -3.7227 -3.7227 -3.6872 -3.6872 -3.6128 -3.6128 -3.5728 -3.5728 -3.5550 -3.5550 -3.5291 -3.5291 -0.5454 -0.5454 -0.5179 -0.5179 -0.4388 -0.4388 -0.4087 -0.4087 0.2471 0.2471 0.2527 0.2527 0.6579 0.6579 0.6590 0.6590 1.2761 1.2761 1.5858 1.5858 1.6162 1.6162 1.8358 1.8358 2.4849 2.4849 2.5576 2.5576 2.5865 2.5865 2.6540 2.6540 5.6531 5.6531 5.6952 5.6952 6.3052 6.3052 6.3979 6.3979 9.4700 9.4700 9.6601 9.6601 k = 0.4333 0.5000 0.3076 ( 19104 PWs) bands (ev): -16.1977 -16.1977 -16.1976 -16.1976 -9.4059 -9.4059 -9.3992 -9.3992 -5.0328 -5.0328 -5.0185 -5.0185 -3.7147 -3.7147 -3.6905 -3.6905 -3.6166 -3.6166 -3.5900 -3.5900 -3.5591 -3.5591 -3.5352 -3.5352 -0.5439 -0.5439 -0.5233 -0.5233 -0.4390 -0.4390 -0.4161 -0.4161 0.2476 0.2476 0.2519 0.2519 0.6585 0.6585 0.6592 0.6592 1.3493 1.3493 1.5870 1.5870 1.6169 1.6169 1.7965 1.7965 2.5118 2.5118 2.5593 2.5593 2.6125 2.6125 2.6565 2.6565 5.6397 5.6397 5.6679 5.6679 6.2977 6.2977 6.3587 6.3587 9.5235 9.5235 9.6786 9.6786 k = 0.4500 0.5000 0.3076 ( 19108 PWs) bands (ev): -16.1976 -16.1976 -16.1975 -16.1975 -9.4035 -9.4035 -9.3997 -9.3997 -5.0313 -5.0313 -5.0207 -5.0207 -3.7076 -3.7076 -3.6931 -3.6931 -3.6206 -3.6206 -3.6053 -3.6053 -3.5595 -3.5595 -3.5405 -3.5405 -0.5424 -0.5424 -0.5279 -0.5279 -0.4386 -0.4386 -0.4223 -0.4223 0.2481 0.2481 0.2512 0.2512 0.6590 0.6590 0.6594 0.6594 1.4186 1.4186 1.5881 1.5881 1.6174 1.6174 1.7541 1.7541 2.5332 2.5332 2.5606 2.5606 2.6333 2.6333 2.6584 2.6584 5.6295 5.6295 5.6462 5.6462 6.2918 6.2918 6.3274 6.3274 9.5751 9.5751 9.6924 9.6924 k = 0.4667 0.5000 0.3076 ( 19096 PWs) bands (ev): -16.1974 -16.1974 -16.1974 -16.1974 -9.4018 -9.4018 -9.4001 -9.4001 -5.0298 -5.0298 -5.0228 -5.0228 -3.7019 -3.7019 -3.6951 -3.6951 -3.6244 -3.6244 -3.6166 -3.6166 -3.5583 -3.5583 -3.5453 -3.5453 -0.5408 -0.5408 -0.5317 -0.5317 -0.4377 -0.4377 -0.4272 -0.4272 0.2486 0.2486 0.2506 0.2506 0.6593 0.6593 0.6595 0.6595 1.4836 1.4836 1.5888 1.5888 1.6178 1.6178 1.7084 1.7084 2.5489 2.5489 2.5616 2.5616 2.6484 2.6484 2.6598 2.6598 5.6222 5.6222 5.6304 5.6304 6.2876 6.2876 6.3047 6.3047 9.6235 9.6235 9.7013 9.7013 k = 0.4833 0.5000 0.3076 ( 19084 PWs) bands (ev): -16.1974 -16.1974 -16.1974 -16.1974 -9.4008 -9.4008 -9.4003 -9.4003 -5.0282 -5.0282 -5.0247 -5.0247 -3.6981 -3.6981 -3.6962 -3.6962 -3.6268 -3.6268 -3.6236 -3.6236 -3.5562 -3.5562 -3.5495 -3.5495 -0.5392 -0.5392 -0.5347 -0.5347 -0.4362 -0.4362 -0.4311 -0.4311 0.2490 0.2490 0.2500 0.2500 0.6595 0.6595 0.6596 0.6596 1.5438 1.5438 1.5892 1.5892 1.6181 1.6181 1.6598 1.6598 2.5584 2.5584 2.5621 2.5621 2.6575 2.6575 2.6606 2.6606 5.6180 5.6180 5.6208 5.6208 6.2851 6.2851 6.2908 6.2908 9.6657 9.6657 9.7037 9.7037 k = 0.5000 0.5000 0.3076 ( 19080 PWs) bands (ev): -16.1973 -16.1973 -16.1973 -16.1973 -9.4004 -9.4004 -9.4004 -9.4004 -5.0265 -5.0265 -5.0265 -5.0265 -3.6967 -3.6967 -3.6967 -3.6967 -3.6269 -3.6269 -3.6269 -3.6269 -3.5532 -3.5532 -3.5532 -3.5532 -0.5372 -0.5372 -0.5372 -0.5372 -0.4341 -0.4341 -0.4341 -0.4341 0.2495 0.2495 0.2495 0.2495 0.6596 0.6596 0.6596 0.6596 1.5881 1.5881 1.5881 1.5881 1.6194 1.6194 1.6194 1.6194 2.5619 2.5619 2.5619 2.5619 2.6607 2.6607 2.6607 2.6607 5.6171 5.6171 5.6171 5.6171 6.2852 6.2852 6.2852 6.2852 9.6941 9.6941 9.6941 9.6941 k = 0.5000 0.5000 0.3076 ( 19080 PWs) bands (ev): -16.1973 -16.1973 -16.1973 -16.1973 -9.4004 -9.4004 -9.4004 -9.4004 -5.0265 -5.0265 -5.0265 -5.0265 -3.6967 -3.6967 -3.6967 -3.6967 -3.6269 -3.6269 -3.6269 -3.6269 -3.5532 -3.5532 -3.5532 -3.5532 -0.5372 -0.5372 -0.5372 -0.5372 -0.4341 -0.4341 -0.4341 -0.4341 0.2495 0.2495 0.2495 0.2495 0.6596 0.6596 0.6596 0.6596 1.5881 1.5881 1.5881 1.5881 1.6194 1.6194 1.6194 1.6194 2.5619 2.5619 2.5619 2.5619 2.6607 2.6607 2.6607 2.6607 5.6171 5.6171 5.6171 5.6171 6.2852 6.2852 6.2852 6.2852 9.6941 9.6941 9.6941 9.6941 k = 0.4884 0.4884 0.3076 ( 19080 PWs) bands (ev): -16.1974 -16.1974 -16.1974 -16.1974 -9.4007 -9.4007 -9.4004 -9.4004 -5.0282 -5.0282 -5.0248 -5.0248 -3.6974 -3.6974 -3.6969 -3.6969 -3.6267 -3.6267 -3.6239 -3.6239 -3.5561 -3.5561 -3.5496 -3.5496 -0.5391 -0.5391 -0.5348 -0.5348 -0.4361 -0.4361 -0.4312 -0.4312 0.2490 0.2490 0.2500 0.2500 0.6596 0.6596 0.6596 0.6596 1.5570 1.5570 1.5654 1.5654 1.6404 1.6404 1.6482 1.6482 2.5592 2.5592 2.5614 2.5614 2.6585 2.6585 2.6597 2.6597 5.6183 5.6183 5.6204 5.6204 6.2858 6.2858 6.2900 6.2900 9.6683 9.6683 9.6998 9.6998 k = 0.4767 0.4767 0.3076 ( 19092 PWs) bands (ev): -16.1974 -16.1974 -16.1974 -16.1974 -9.4012 -9.4012 -9.4007 -9.4007 -5.0297 -5.0297 -5.0229 -5.0229 -3.6987 -3.6987 -3.6980 -3.6980 -3.6231 -3.6231 -3.6184 -3.6184 -3.5581 -3.5581 -3.5455 -3.5455 -0.5405 -0.5405 -0.5320 -0.5320 -0.4374 -0.4374 -0.4276 -0.4276 0.2486 0.2486 0.2505 0.2505 0.6594 0.6594 0.6595 0.6595 1.5164 1.5164 1.5253 1.5253 1.6748 1.6748 1.6825 1.6825 2.5532 2.5532 2.5576 2.5576 2.6530 2.6530 2.6555 2.6555 5.6240 5.6240 5.6282 5.6282 6.2917 6.2917 6.3001 6.3001 9.6342 9.6342 9.6795 9.6795 k = 0.4651 0.4651 0.3076 ( 19104 PWs) bands (ev): -16.1975 -16.1975 -16.1975 -16.1975 -9.4020 -9.4020 -9.4013 -9.4013 -5.0311 -5.0311 -5.0210 -5.0210 -3.7001 -3.7001 -3.6999 -3.6999 -3.6164 -3.6164 -3.6115 -3.6115 -3.5585 -3.5585 -3.5409 -3.5409 -0.5414 -0.5414 -0.5288 -0.5288 -0.4378 -0.4378 -0.4233 -0.4233 0.2482 0.2482 0.2510 0.2510 0.6592 0.6592 0.6592 0.6592 1.4732 1.4732 1.4821 1.4821 1.7082 1.7082 1.7154 1.7154 2.5440 2.5440 2.5505 2.5505 2.6442 2.6442 2.6480 2.6480 5.6342 5.6342 5.6405 5.6405 6.3029 6.3029 6.3154 6.3154 9.5964 9.5964 9.6460 9.6460 k = 0.4535 0.4535 0.3076 ( 19108 PWs) bands (ev): -16.1976 -16.1976 -16.1976 -16.1976 -9.4030 -9.4030 -9.4021 -9.4021 -5.0324 -5.0324 -5.0190 -5.0190 -3.7022 -3.7022 -3.7012 -3.7012 -3.6071 -3.6071 -3.6045 -3.6045 -3.5564 -3.5564 -3.5359 -3.5359 -0.5417 -0.5417 -0.5252 -0.5252 -0.4373 -0.4373 -0.4183 -0.4183 0.2479 0.2479 0.2516 0.2516 0.6589 0.6589 0.6589 0.6589 1.4279 1.4279 1.4367 1.4367 1.7400 1.7400 1.7464 1.7464 2.5317 2.5317 2.5402 2.5402 2.6323 2.6323 2.6376 2.6376 5.6488 5.6488 5.6573 5.6573 6.3193 6.3193 6.3358 6.3358 9.5562 9.5562 9.6071 9.6071 k = 0.4419 0.4419 0.3076 ( 19110 PWs) bands (ev): -16.1978 -16.1978 -16.1978 -16.1978 -9.4043 -9.4043 -9.4031 -9.4031 -5.0335 -5.0335 -5.0169 -5.0169 -3.7043 -3.7043 -3.7019 -3.7019 -3.5991 -3.5991 -3.5956 -3.5956 -3.5502 -3.5502 -3.5302 -3.5302 -0.5414 -0.5414 -0.5213 -0.5213 -0.4360 -0.4360 -0.4128 -0.4128 0.2476 0.2476 0.2521 0.2521 0.6585 0.6585 0.6585 0.6585 1.3806 1.3806 1.3892 1.3892 1.7699 1.7699 1.7752 1.7752 2.5165 2.5165 2.5268 2.5268 2.6173 2.6173 2.6242 2.6242 5.6678 5.6678 5.6784 5.6784 6.3409 6.3409 6.3613 6.3613 9.5141 9.5141 9.5651 9.5651 k = 0.4302 0.4302 0.3076 ( 19108 PWs) bands (ev): -16.1980 -16.1980 -16.1980 -16.1980 -9.4058 -9.4058 -9.4044 -9.4044 -5.0345 -5.0345 -5.0147 -5.0147 -3.7062 -3.7062 -3.7020 -3.7020 -3.5960 -3.5960 -3.5826 -3.5826 -3.5394 -3.5394 -3.5236 -3.5236 -0.5404 -0.5404 -0.5169 -0.5169 -0.4338 -0.4338 -0.4067 -0.4067 0.2474 0.2474 0.2527 0.2527 0.6580 0.6580 0.6581 0.6581 1.3313 1.3313 1.3397 1.3397 1.7978 1.7978 1.8019 1.8019 2.4986 2.4986 2.5105 2.5105 2.5994 2.5994 2.6080 2.6080 5.6911 5.6911 5.7039 5.7039 6.3674 6.3674 6.3916 6.3916 9.4704 9.4704 9.5209 9.5209 k = 0.4186 0.4186 0.3076 ( 19106 PWs) bands (ev): -16.1983 -16.1983 -16.1983 -16.1983 -9.4075 -9.4075 -9.4060 -9.4060 -5.0353 -5.0353 -5.0125 -5.0125 -3.7076 -3.7076 -3.7015 -3.7015 -3.5949 -3.5949 -3.5691 -3.5691 -3.5244 -3.5244 -3.5153 -3.5153 -0.5387 -0.5387 -0.5121 -0.5121 -0.4307 -0.4307 -0.4000 -0.4000 0.2473 0.2473 0.2533 0.2533 0.6574 0.6574 0.6575 0.6575 1.2803 1.2803 1.2883 1.2883 1.8238 1.8238 1.8262 1.8262 2.4779 2.4779 2.4913 2.4913 2.5786 2.5786 2.5892 2.5892 5.7186 5.7186 5.7336 5.7336 6.3986 6.3986 6.4264 6.4264 9.4253 9.4253 9.4749 9.4749 k = 0.4070 0.4070 0.3076 ( 19110 PWs) bands (ev): -16.1985 -16.1985 -16.1985 -16.1985 -9.4095 -9.4095 -9.4077 -9.4077 -5.0360 -5.0360 -5.0102 -5.0102 -3.7084 -3.7084 -3.7004 -3.7004 -3.5948 -3.5948 -3.5562 -3.5562 -3.5061 -3.5061 -3.5044 -3.5044 -0.5362 -0.5362 -0.5069 -0.5069 -0.4269 -0.4269 -0.3930 -0.3930 0.2473 0.2473 0.2539 0.2539 0.6568 0.6568 0.6569 0.6569 1.2274 1.2274 1.2350 1.2350 1.8477 1.8477 1.8482 1.8482 2.4549 2.4549 2.4696 2.4696 2.5553 2.5553 2.5681 2.5681 5.7503 5.7503 5.7675 5.7675 6.4344 6.4344 6.4657 6.4657 9.3788 9.3788 9.4274 9.4274 k = 0.3953 0.3953 0.3076 ( 19130 PWs) bands (ev): -16.1988 -16.1988 -16.1988 -16.1988 -9.4116 -9.4116 -9.4097 -9.4097 -5.0365 -5.0365 -5.0078 -5.0078 -3.7086 -3.7086 -3.6989 -3.6989 -3.5952 -3.5952 -3.5451 -3.5451 -3.4896 -3.4896 -3.4852 -3.4852 -0.5330 -0.5330 -0.5011 -0.5011 -0.4222 -0.4222 -0.3855 -0.3855 0.2474 0.2474 0.2545 0.2545 0.6560 0.6560 0.6562 0.6562 1.1728 1.1728 1.1800 1.1800 1.8678 1.8678 1.8695 1.8695 2.4295 2.4295 2.4454 2.4454 2.5297 2.5297 2.5449 2.5449 5.7861 5.7861 5.8054 5.8054 6.4744 6.4744 6.5090 6.5090 9.3311 9.3311 9.3784 9.3784 k = 0.3837 0.3837 0.3076 ( 19138 PWs) bands (ev): -16.1992 -16.1992 -16.1992 -16.1992 -9.4140 -9.4140 -9.4119 -9.4119 -5.0368 -5.0368 -5.0055 -5.0055 -3.7081 -3.7081 -3.6968 -3.6968 -3.5957 -3.5957 -3.5364 -3.5364 -3.4706 -3.4706 -3.4619 -3.4619 -0.5289 -0.5289 -0.4949 -0.4949 -0.4168 -0.4168 -0.3776 -0.3776 0.2476 0.2476 0.2551 0.2551 0.6552 0.6552 0.6554 0.6554 1.1166 1.1166 1.1233 1.1233 1.8847 1.8847 1.8891 1.8891 2.4020 2.4020 2.4190 2.4190 2.5020 2.5020 2.5199 2.5199 5.8259 5.8259 5.8474 5.8474 6.5185 6.5185 6.5561 6.5561 9.2823 9.2823 9.3281 9.3281 k = 0.3721 0.3721 0.3076 ( 19146 PWs) bands (ev): -16.1995 -16.1995 -16.1995 -16.1995 -9.4166 -9.4166 -9.4143 -9.4143 -5.0369 -5.0369 -5.0030 -5.0030 -3.7069 -3.7069 -3.6943 -3.6943 -3.5960 -3.5960 -3.5296 -3.5296 -3.4479 -3.4479 -3.4366 -3.4366 -0.5241 -0.5241 -0.4881 -0.4881 -0.4107 -0.4107 -0.3694 -0.3694 0.2479 0.2479 0.2558 0.2558 0.6543 0.6543 0.6545 0.6545 1.0587 1.0587 1.0650 1.0650 1.8988 1.8988 1.9065 1.9065 2.3726 2.3726 2.3907 2.3907 2.4725 2.4725 2.4934 2.4934 5.8696 5.8696 5.8933 5.8933 6.5663 6.5663 6.6067 6.6067 9.2326 9.2326 9.2767 9.2767 k = 0.3605 0.3605 0.3076 ( 19134 PWs) bands (ev): -16.1999 -16.1999 -16.1999 -16.1999 -9.4193 -9.4193 -9.4169 -9.4169 -5.0369 -5.0369 -5.0006 -5.0006 -3.7051 -3.7051 -3.6915 -3.6915 -3.5960 -3.5960 -3.5242 -3.5242 -3.4222 -3.4222 -3.4093 -3.4093 -0.5183 -0.5183 -0.4807 -0.4807 -0.4039 -0.4039 -0.3609 -0.3609 0.2484 0.2484 0.2565 0.2565 0.6532 0.6532 0.6535 0.6535 0.9992 0.9992 1.0051 1.0051 1.9099 1.9099 1.9214 1.9214 2.3415 2.3415 2.3608 2.3608 2.4417 2.4417 2.4658 2.4658 5.9172 5.9172 5.9430 5.9430 6.6173 6.6173 6.6605 6.6605 9.1820 9.1820 9.2244 9.2244 k = 0.3488 0.3488 0.3076 ( 19148 PWs) bands (ev): -16.2003 -16.2003 -16.2003 -16.2003 -9.4221 -9.4221 -9.4196 -9.4196 -5.0367 -5.0367 -4.9982 -4.9982 -3.7027 -3.7027 -3.6884 -3.6884 -3.5957 -3.5957 -3.5197 -3.5197 -3.3938 -3.3938 -3.3802 -3.3802 -0.5117 -0.5117 -0.4728 -0.4728 -0.3965 -0.3965 -0.3521 -0.3521 0.2490 0.2490 0.2573 0.2573 0.6519 0.6519 0.6525 0.6525 0.9384 0.9384 0.9439 0.9439 1.9177 1.9177 1.9338 1.9338 2.3088 2.3088 2.3297 2.3297 2.4099 2.4099 2.4374 2.4374 5.9687 5.9687 5.9966 5.9966 6.6714 6.6714 6.7169 6.7169 9.1308 9.1308 9.1713 9.1713 k = 0.3372 0.3372 0.3076 ( 19148 PWs) bands (ev): -16.2008 -16.2008 -16.2008 -16.2008 -9.4251 -9.4251 -9.4225 -9.4225 -5.0362 -5.0362 -4.9957 -4.9957 -3.6996 -3.6996 -3.6851 -3.6851 -3.5950 -3.5950 -3.5159 -3.5159 -3.3632 -3.3632 -3.3492 -3.3492 -0.5042 -0.5042 -0.4642 -0.4642 -0.3885 -0.3885 -0.3431 -0.3431 0.2498 0.2498 0.2581 0.2581 0.6502 0.6502 0.6513 0.6513 0.8763 0.8763 0.8816 0.8816 1.9218 1.9218 1.9432 1.9432 2.2747 2.2747 2.2975 2.2975 2.3776 2.3776 2.4086 2.4086 6.0239 6.0239 6.0538 6.0538 6.7280 6.7280 6.7756 6.7756 9.0791 9.0791 9.1176 9.1176 k = 0.3256 0.3256 0.3076 ( 19156 PWs) bands (ev): -16.2012 -16.2012 -16.2012 -16.2012 -9.4282 -9.4282 -9.4254 -9.4254 -5.0356 -5.0356 -4.9932 -4.9932 -3.6960 -3.6960 -3.6817 -3.6817 -3.5938 -3.5938 -3.5127 -3.5127 -3.3306 -3.3306 -3.3164 -3.3164 -0.4958 -0.4958 -0.4551 -0.4551 -0.3798 -0.3798 -0.3338 -0.3338 0.2507 0.2507 0.2590 0.2590 0.6478 0.6478 0.6497 0.6497 0.8132 0.8132 0.8187 0.8187 1.9217 1.9217 1.9492 1.9492 2.2396 2.2396 2.2648 2.2648 2.3455 2.3455 2.3801 2.3801 6.0828 6.0828 6.1148 6.1148 6.7866 6.7866 6.8362 6.8362 9.0272 9.0272 9.0635 9.0635 k = 0.3140 0.3140 0.3076 ( 19168 PWs) bands (ev): -16.2017 -16.2017 -16.2017 -16.2017 -9.4314 -9.4314 -9.4286 -9.4286 -5.0348 -5.0348 -4.9908 -4.9908 -3.6918 -3.6918 -3.6782 -3.6782 -3.5922 -3.5922 -3.5099 -3.5099 -3.2960 -3.2960 -3.2820 -3.2820 -0.4866 -0.4866 -0.4455 -0.4455 -0.3705 -0.3705 -0.3243 -0.3243 0.2518 0.2518 0.2601 0.2601 0.6435 0.6435 0.6473 0.6473 0.7499 0.7499 0.7564 0.7564 1.9171 1.9171 1.9514 1.9514 2.2036 2.2036 2.2319 2.2319 2.3141 2.3141 2.3523 2.3523 6.1454 6.1454 6.1793 6.1793 6.8469 6.8469 6.8981 6.8981 8.9753 8.9753 9.0093 9.0093 k = 0.3023 0.3023 0.3076 ( 19166 PWs) bands (ev): -16.2022 -16.2022 -16.2022 -16.2022 -9.4347 -9.4347 -9.4317 -9.4317 -5.0338 -5.0338 -4.9884 -4.9884 -3.6870 -3.6870 -3.6746 -3.6746 -3.5901 -3.5901 -3.5076 -3.5076 -3.2597 -3.2597 -3.2459 -3.2459 -0.4765 -0.4765 -0.4353 -0.4353 -0.3607 -0.3607 -0.3147 -0.3147 0.2531 0.2531 0.2612 0.2612 0.6318 0.6318 0.6404 0.6404 0.6899 0.6899 0.7004 0.7004 1.9073 1.9073 1.9490 1.9490 2.1672 2.1672 2.1989 2.1989 2.2844 2.2844 2.3260 2.3260 6.2115 6.2115 6.2474 6.2474 6.9084 6.9084 6.9609 6.9609 8.9237 8.9237 8.9552 8.9552 k = 0.2907 0.2907 0.3076 ( 19162 PWs) bands (ev): -16.2027 -16.2027 -16.2027 -16.2027 -9.4380 -9.4380 -9.4350 -9.4350 -5.0326 -5.0326 -4.9860 -4.9860 -3.6818 -3.6818 -3.6710 -3.6710 -3.5876 -3.5876 -3.5057 -3.5057 -3.2217 -3.2217 -3.2082 -3.2082 -0.4656 -0.4656 -0.4247 -0.4247 -0.3502 -0.3502 -0.3048 -0.3048 0.2544 0.2544 0.2625 0.2625 0.5946 0.5946 0.6042 0.6042 0.6584 0.6584 0.6689 0.6689 1.8922 1.8922 1.9412 1.9412 2.1305 2.1305 2.1659 2.1659 2.2572 2.2572 2.3018 2.3018 6.2812 6.2812 6.3189 6.3189 6.9703 6.9703 7.0240 7.0240 8.8727 8.8727 8.9017 8.9017 k = 0.2791 0.2791 0.3076 ( 19158 PWs) bands (ev): -16.2032 -16.2032 -16.2032 -16.2032 -9.4414 -9.4414 -9.4384 -9.4384 -5.0312 -5.0312 -4.9837 -4.9837 -3.6762 -3.6762 -3.6673 -3.6673 -3.5847 -3.5847 -3.5041 -3.5041 -3.1820 -3.1820 -3.1689 -3.1689 -0.4540 -0.4540 -0.4137 -0.4137 -0.3391 -0.3391 -0.2949 -0.2949 0.2558 0.2558 0.2639 0.2639 0.5347 0.5347 0.5417 0.5417 0.6525 0.6525 0.6594 0.6594 1.8718 1.8718 1.9272 1.9272 2.0940 2.0940 2.1328 2.1328 2.2335 2.2335 2.2803 2.2803 6.3543 6.3543 6.3938 6.3938 7.0323 7.0323 7.0868 7.0868 8.8227 8.8227 8.8491 8.8491 k = 0.2674 0.2674 0.3076 ( 19152 PWs) bands (ev): -16.2037 -16.2037 -16.2037 -16.2037 -9.4448 -9.4448 -9.4417 -9.4417 -5.0297 -5.0297 -4.9814 -4.9814 -3.6701 -3.6701 -3.6637 -3.6637 -3.5815 -3.5815 -3.5029 -3.5029 -3.1409 -3.1409 -3.1282 -3.1282 -0.4418 -0.4418 -0.4025 -0.4025 -0.3274 -0.3274 -0.2848 -0.2848 0.2571 0.2571 0.2654 0.2654 0.4683 0.4683 0.4753 0.4753 0.6503 0.6503 0.6556 0.6556 1.8463 1.8463 1.9068 1.9068 2.0576 2.0576 2.0993 2.0993 2.2137 2.2137 2.2618 2.2618 6.4306 6.4306 6.4719 6.4719 7.0937 7.0937 7.1487 7.1487 8.7742 8.7742 8.7979 8.7979 k = 0.2558 0.2558 0.3076 ( 19152 PWs) bands (ev): -16.2042 -16.2042 -16.2042 -16.2042 -9.4482 -9.4482 -9.4451 -9.4451 -5.0279 -5.0279 -4.9793 -4.9793 -3.6637 -3.6637 -3.6601 -3.6601 -3.5779 -3.5779 -3.5021 -3.5021 -3.0983 -3.0983 -3.0861 -3.0861 -0.4289 -0.4289 -0.3910 -0.3910 -0.3151 -0.3151 -0.2746 -0.2746 0.2576 0.2576 0.2671 0.2671 0.3999 0.3999 0.4086 0.4086 0.6489 0.6489 0.6535 0.6535 1.8164 1.8164 1.8803 1.8803 2.0213 2.0213 2.0653 2.0653 2.1981 2.1981 2.2464 2.2464 6.5101 6.5101 6.5532 6.5532 7.1537 7.1537 7.2091 7.2091 8.7277 8.7277 8.7486 8.7486 k = 0.2442 0.2442 0.3076 ( 19176 PWs) bands (ev): -16.2048 -16.2048 -16.2048 -16.2048 -9.4516 -9.4516 -9.4485 -9.4485 -5.0261 -5.0261 -4.9772 -4.9772 -3.6570 -3.6570 -3.6564 -3.6564 -3.5740 -3.5740 -3.5016 -3.5016 -3.0544 -3.0544 -3.0427 -3.0427 -0.4155 -0.4155 -0.3795 -0.3795 -0.3022 -0.3022 -0.2642 -0.2642 0.2552 0.2552 0.2682 0.2682 0.3313 0.3313 0.3445 0.3445 0.6478 0.6478 0.6519 0.6519 1.7829 1.7829 1.8487 1.8487 1.9849 1.9849 2.0305 2.0305 2.1863 2.1863 2.2337 2.2337 6.5927 6.5927 6.6375 6.6375 7.2118 7.2118 7.2672 7.2672 8.6835 8.6835 8.7017 8.7017 k = 0.2326 0.2326 0.3076 ( 19168 PWs) bands (ev): -16.2053 -16.2053 -16.2053 -16.2053 -9.4549 -9.4549 -9.4519 -9.4519 -5.0240 -5.0240 -4.9752 -4.9752 -3.6527 -3.6527 -3.6501 -3.6501 -3.5699 -3.5699 -3.5014 -3.5014 -3.0093 -3.0093 -2.9981 -2.9981 -0.4019 -0.4019 -0.3680 -0.3680 -0.2888 -0.2888 -0.2539 -0.2539 0.2367 0.2367 0.2531 0.2531 0.2788 0.2788 0.2966 0.2966 0.6470 0.6470 0.6508 0.6508 1.7467 1.7467 1.8131 1.8131 1.9484 1.9484 1.9950 1.9950 2.1776 2.1776 2.2234 2.2234 6.6779 6.6779 6.7245 6.7245 7.2673 7.2673 7.3224 7.3224 8.6423 8.6423 8.6577 8.6577 k = 0.2209 0.2209 0.3076 ( 19140 PWs) bands (ev): -16.2058 -16.2058 -16.2058 -16.2058 -9.4582 -9.4582 -9.4552 -9.4552 -5.0218 -5.0218 -4.9733 -4.9733 -3.6489 -3.6489 -3.6429 -3.6429 -3.5657 -3.5657 -3.5017 -3.5017 -2.9631 -2.9631 -2.9524 -2.9524 -0.3881 -0.3881 -0.3566 -0.3566 -0.2750 -0.2750 -0.2434 -0.2434 0.1842 0.1842 0.1876 0.1876 0.2768 0.2768 0.2831 0.2831 0.6462 0.6462 0.6498 0.6498 1.7086 1.7086 1.7747 1.7747 1.9116 1.9116 1.9589 1.9589 2.1713 2.1713 2.2149 2.2149 6.7657 6.7657 6.8141 6.8141 7.3195 7.3195 7.3741 7.3741 8.6045 8.6045 8.6172 8.6172 k = 0.2093 0.2093 0.3076 ( 19154 PWs) bands (ev): -16.2063 -16.2063 -16.2063 -16.2063 -9.4614 -9.4614 -9.4585 -9.4585 -5.0195 -5.0195 -4.9716 -4.9716 -3.6451 -3.6451 -3.6356 -3.6356 -3.5614 -3.5614 -3.5022 -3.5022 -2.9159 -2.9159 -2.9058 -2.9058 -0.3746 -0.3746 -0.3456 -0.3456 -0.2609 -0.2609 -0.2330 -0.2330 0.1184 0.1184 0.1197 0.1197 0.2794 0.2794 0.2824 0.2824 0.6456 0.6456 0.6490 0.6490 1.6692 1.6692 1.7346 1.7346 1.8748 1.8748 1.9224 1.9224 2.1667 2.1667 2.2079 2.2079 6.8556 6.8556 6.9059 6.9059 7.3679 7.3679 7.4219 7.4219 8.5706 8.5706 8.5806 8.5806 k = 0.1977 0.1977 0.3076 ( 19162 PWs) bands (ev): -16.2068 -16.2068 -16.2068 -16.2068 -9.4646 -9.4646 -9.4617 -9.4617 -5.0171 -5.0171 -4.9700 -4.9700 -3.6412 -3.6412 -3.6282 -3.6282 -3.5571 -3.5571 -3.5031 -3.5031 -2.8678 -2.8678 -2.8582 -2.8582 -0.3617 -0.3617 -0.3352 -0.3352 -0.2466 -0.2466 -0.2226 -0.2226 0.0496 0.0496 0.0538 0.0538 0.2826 0.2826 0.2847 0.2847 0.6450 0.6450 0.6483 0.6483 1.6293 1.6293 1.6936 1.6936 1.8380 1.8380 1.8857 1.8857 2.1632 2.1632 2.2019 2.2019 6.9470 6.9470 6.9994 6.9994 7.4120 7.4120 7.4653 7.4653 8.5410 8.5410 8.5483 8.5483 k = 0.1860 0.1860 0.3076 ( 19142 PWs) bands (ev): -16.2073 -16.2073 -16.2073 -16.2073 -9.4676 -9.4676 -9.4648 -9.4648 -5.0146 -5.0146 -4.9686 -4.9686 -3.6372 -3.6372 -3.6208 -3.6208 -3.5528 -3.5528 -3.5042 -3.5042 -2.8191 -2.8191 -2.8100 -2.8100 -0.3504 -0.3504 -0.3260 -0.3260 -0.2323 -0.2323 -0.2124 -0.2124 -0.0174 -0.0174 -0.0107 -0.0107 0.2864 0.2864 0.2880 0.2880 0.6445 0.6445 0.6477 0.6477 1.5893 1.5893 1.6522 1.6522 1.8014 1.8014 1.8489 1.8489 2.1606 2.1606 2.1967 2.1967 7.0392 7.0392 7.0939 7.0939 7.4519 7.4519 7.5044 7.5044 8.5160 8.5160 8.5209 8.5209 k = 0.1744 0.1744 0.3076 ( 19114 PWs) bands (ev): -16.2078 -16.2078 -16.2078 -16.2078 -9.4706 -9.4706 -9.4679 -9.4679 -5.0119 -5.0119 -4.9674 -4.9674 -3.6331 -3.6331 -3.6134 -3.6134 -3.5487 -3.5487 -3.5057 -3.5057 -2.7698 -2.7698 -2.7613 -2.7613 -0.3422 -0.3422 -0.3194 -0.3194 -0.2186 -0.2186 -0.2026 -0.2026 -0.0810 -0.0810 -0.0714 -0.0714 0.2906 0.2906 0.2921 0.2921 0.6442 0.6442 0.6471 0.6471 1.5497 1.5497 1.6110 1.6110 1.7653 1.7653 1.8123 1.8123 2.1585 2.1585 2.1921 2.1921 7.1310 7.1310 7.1882 7.1882 7.4878 7.4878 7.5398 7.5398 8.4960 8.4960 8.4985 8.4985 k = 0.1628 0.1628 0.3076 ( 19118 PWs) bands (ev): -16.2083 -16.2083 -16.2083 -16.2083 -9.4734 -9.4734 -9.4708 -9.4708 -5.0092 -5.0092 -4.9663 -4.9663 -3.6290 -3.6290 -3.6060 -3.6060 -3.5446 -3.5446 -3.5074 -3.5074 -2.7202 -2.7202 -2.7123 -2.7123 -0.3404 -0.3404 -0.3183 -0.3183 -0.2068 -0.2068 -0.1940 -0.1940 -0.1366 -0.1366 -0.1241 -0.1241 0.2953 0.2953 0.2965 0.2965 0.6438 0.6438 0.6467 0.6467 1.5109 1.5109 1.5703 1.5703 1.7298 1.7298 1.7761 1.7761 2.1569 2.1569 2.1880 2.1880 7.2204 7.2204 7.2800 7.2800 7.5217 7.5217 7.5731 7.5731 8.4810 8.4810 8.4815 8.4815 k = 0.1512 0.1512 0.3076 ( 19118 PWs) bands (ev): -16.2087 -16.2087 -16.2087 -16.2087 -9.4760 -9.4760 -9.4736 -9.4736 -5.0065 -5.0065 -4.9654 -4.9654 -3.6247 -3.6247 -3.5988 -3.5988 -3.5408 -3.5408 -3.5094 -3.5094 -2.6706 -2.6706 -2.6631 -2.6631 -0.3508 -0.3508 -0.3296 -0.3296 -0.2046 -0.2046 -0.1911 -0.1911 -0.1694 -0.1694 -0.1582 -0.1582 0.3003 0.3003 0.3014 0.3014 0.6436 0.6436 0.6463 0.6463 1.4733 1.4733 1.5306 1.5306 1.6953 1.6953 1.7405 1.7405 2.1555 2.1555 2.1841 2.1841 7.3042 7.3042 7.3645 7.3645 7.5578 7.5578 7.6071 7.6071 8.4699 8.4699 8.4712 8.4712 k = 0.1395 0.1395 0.3076 ( 19122 PWs) bands (ev): -16.2092 -16.2092 -16.2092 -16.2092 -9.4785 -9.4785 -9.4762 -9.4762 -5.0037 -5.0037 -4.9647 -4.9647 -3.6203 -3.6203 -3.5918 -3.5918 -3.5372 -3.5372 -3.5117 -3.5117 -2.6211 -2.6211 -2.6142 -2.6142 -0.3790 -0.3790 -0.3614 -0.3614 -0.2159 -0.2159 -0.2000 -0.2000 -0.1675 -0.1675 -0.1621 -0.1621 0.3057 0.3057 0.3065 0.3065 0.6434 0.6434 0.6459 0.6459 1.4372 1.4372 1.4922 1.4922 1.6619 1.6619 1.7057 1.7057 2.1543 2.1543 2.1806 2.1806 7.3769 7.3769 7.4322 7.4322 7.6051 7.6051 7.6470 7.6470 8.4639 8.4639 8.4665 8.4665 k = 0.1279 0.1279 0.3076 ( 19104 PWs) bands (ev): -16.2096 -16.2096 -16.2096 -16.2096 -9.4809 -9.4809 -9.4787 -9.4787 -5.0009 -5.0009 -4.9643 -4.9643 -3.6158 -3.6158 -3.5851 -3.5851 -3.5339 -3.5339 -3.5141 -3.5141 -2.5721 -2.5721 -2.5658 -2.5658 -0.4224 -0.4224 -0.4093 -0.4093 -0.2187 -0.2187 -0.2039 -0.2039 -0.1570 -0.1570 -0.1549 -0.1549 0.3114 0.3114 0.3118 0.3118 0.6433 0.6433 0.6456 0.6456 1.4030 1.4030 1.4553 1.4553 1.6298 1.6298 1.6720 1.6720 2.1533 2.1533 2.1773 2.1773 7.4327 7.4327 7.4753 7.4753 7.6712 7.6712 7.6984 7.6984 8.4638 8.4638 8.4672 8.4672 k = 0.1163 0.1163 0.3076 ( 19110 PWs) bands (ev): -16.2099 -16.2099 -16.2099 -16.2099 -9.4830 -9.4830 -9.4810 -9.4810 -4.9980 -4.9980 -4.9640 -4.9640 -3.6113 -3.6113 -3.5787 -3.5787 -3.5310 -3.5310 -3.5167 -3.5167 -2.5240 -2.5240 -2.5182 -2.5182 -0.4734 -0.4734 -0.4639 -0.4639 -0.2146 -0.2146 -0.2006 -0.2006 -0.1461 -0.1461 -0.1457 -0.1457 0.3173 0.3173 0.3174 0.3174 0.6432 0.6432 0.6454 0.6454 1.3710 1.3710 1.4202 1.4202 1.5994 1.5994 1.6395 1.6395 2.1525 2.1525 2.1741 2.1741 7.4693 7.4693 7.4980 7.4980 7.7512 7.7512 7.7631 7.7631 8.4699 8.4699 8.4737 8.4737 k = 0.1047 0.1047 0.3076 ( 19118 PWs) bands (ev): -16.2103 -16.2103 -16.2103 -16.2103 -9.4850 -9.4850 -9.4832 -9.4832 -4.9952 -4.9952 -4.9640 -4.9640 -3.6067 -3.6067 -3.5727 -3.5727 -3.5284 -3.5284 -3.5194 -3.5194 -2.4773 -2.4773 -2.4720 -2.4720 -0.5269 -0.5269 -0.5198 -0.5198 -0.2074 -0.2074 -0.1938 -0.1938 -0.1371 -0.1371 -0.1349 -0.1349 0.3229 0.3229 0.3234 0.3234 0.6432 0.6432 0.6452 0.6452 1.3414 1.3414 1.3872 1.3872 1.5709 1.5709 1.6086 1.6086 2.1518 2.1518 2.1712 2.1712 7.4903 7.4903 7.5089 7.5089 7.8352 7.8352 7.8364 7.8364 8.4830 8.4830 8.4865 8.4866 k = 0.0930 0.0930 0.3076 ( 19112 PWs) bands (ev): -16.2106 -16.2106 -16.2106 -16.2106 -9.4868 -9.4868 -9.4851 -9.4851 -4.9924 -4.9924 -4.9641 -4.9641 -3.6020 -3.6020 -3.5673 -3.5673 -3.5262 -3.5262 -3.5221 -3.5221 -2.4323 -2.4323 -2.4276 -2.4276 -0.5797 -0.5797 -0.5742 -0.5742 -0.1990 -0.1990 -0.1858 -0.1858 -0.1283 -0.1283 -0.1250 -0.1250 0.3284 0.3284 0.3294 0.3294 0.6432 0.6432 0.6450 0.6450 1.3146 1.3146 1.3566 1.3566 1.5446 1.5446 1.5795 1.5795 2.1512 2.1512 2.1684 2.1684 7.5011 7.5011 7.5135 7.5135 7.9115 7.9115 7.9164 7.9164 8.5046 8.5046 8.5071 8.5071 k = 0.0814 0.0814 0.3076 ( 19118 PWs) bands (ev): -16.2109 -16.2109 -16.2109 -16.2109 -9.4884 -9.4884 -9.4869 -9.4869 -4.9897 -4.9897 -4.9645 -4.9645 -3.5973 -3.5973 -3.5626 -3.5626 -3.5247 -3.5247 -3.5244 -3.5244 -2.3898 -2.3898 -2.3857 -2.3857 -0.6301 -0.6301 -0.6259 -0.6259 -0.1903 -0.1903 -0.1777 -0.1777 -0.1200 -0.1200 -0.1160 -0.1160 0.3339 0.3339 0.3353 0.3353 0.6433 0.6433 0.6448 0.6448 1.2907 1.2907 1.3285 1.3285 1.5208 1.5208 1.5525 1.5525 2.1508 2.1508 2.1658 2.1658 7.5059 7.5059 7.5143 7.5143 7.9826 7.9826 7.9901 7.9901 8.5361 8.5361 8.5369 8.5369 k = 0.0698 0.0698 0.3076 ( 19132 PWs) bands (ev): -16.2111 -16.2111 -16.2111 -16.2111 -9.4897 -9.4897 -9.4885 -9.4885 -4.9870 -4.9870 -4.9651 -4.9651 -3.5926 -3.5926 -3.5589 -3.5589 -3.5269 -3.5269 -3.5230 -3.5230 -2.3505 -2.3505 -2.3469 -2.3469 -0.6769 -0.6769 -0.6736 -0.6736 -0.1818 -0.1818 -0.1702 -0.1702 -0.1124 -0.1124 -0.1083 -0.1083 0.3391 0.3391 0.3408 0.3408 0.6434 0.6434 0.6447 0.6447 1.2700 1.2700 1.3033 1.3033 1.4997 1.4997 1.5279 1.5279 2.1506 2.1506 2.1634 2.1634 7.5070 7.5070 7.5130 7.5130 8.0449 8.0449 8.0529 8.0529 8.5772 8.5772 8.5788 8.5788 k = 0.0581 0.0581 0.3076 ( 19124 PWs) bands (ev): -16.2113 -16.2113 -16.2113 -16.2113 -9.4909 -9.4909 -9.4898 -9.4898 -4.9844 -4.9844 -4.9660 -4.9660 -3.5879 -3.5879 -3.5565 -3.5565 -3.5284 -3.5284 -3.5221 -3.5221 -2.3150 -2.3150 -2.3119 -2.3119 -0.7189 -0.7189 -0.7163 -0.7163 -0.1739 -0.1739 -0.1636 -0.1636 -0.1056 -0.1056 -0.1017 -0.1017 0.3439 0.3439 0.3458 0.3458 0.6435 0.6435 0.6446 0.6446 1.2527 1.2527 1.2810 1.2810 1.4818 1.4818 1.5060 1.5060 2.1506 2.1506 2.1612 2.1612 7.5063 7.5063 7.5105 7.5105 8.0957 8.0957 8.1027 8.1027 8.6285 8.6285 8.6327 8.6327 k = 0.0465 0.0465 0.3076 ( 19110 PWs) bands (ev): -16.2115 -16.2115 -16.2115 -16.2115 -9.4918 -9.4918 -9.4909 -9.4909 -4.9819 -4.9819 -4.9670 -4.9670 -3.5832 -3.5832 -3.5557 -3.5557 -3.5289 -3.5289 -3.5217 -3.5217 -2.2842 -2.2842 -2.2818 -2.2818 -0.7551 -0.7551 -0.7531 -0.7531 -0.1669 -0.1669 -0.1581 -0.1581 -0.0998 -0.0998 -0.0964 -0.0964 0.3482 0.3482 0.3500 0.3500 0.6436 0.6436 0.6445 0.6445 1.2389 1.2389 1.2620 1.2620 1.4671 1.4671 1.4870 1.4870 2.1507 2.1507 2.1592 2.1592 7.5046 7.5046 7.5076 7.5076 8.1343 8.1343 8.1397 8.1397 8.6887 8.6887 8.6953 8.6953 k = 0.0349 0.0349 0.3076 ( 19112 PWs) bands (ev): -16.2116 -16.2116 -16.2116 -16.2116 -9.4925 -9.4925 -9.4918 -9.4918 -4.9795 -4.9795 -4.9682 -4.9682 -3.5785 -3.5785 -3.5565 -3.5565 -3.5284 -3.5284 -3.5217 -3.5217 -2.2591 -2.2591 -2.2572 -2.2572 -0.7844 -0.7844 -0.7830 -0.7830 -0.1609 -0.1609 -0.1540 -0.1540 -0.0950 -0.0950 -0.0924 -0.0924 0.3518 0.3518 0.3534 0.3534 0.6437 0.6437 0.6443 0.6443 1.2287 1.2287 1.2463 1.2463 1.4561 1.4561 1.4713 1.4713 2.1511 2.1511 2.1574 2.1574 7.5028 7.5028 7.5048 7.5048 8.1617 8.1617 8.1655 8.1655 8.7535 8.7535 8.7618 8.7618 k = 0.0233 0.0233 0.3076 ( 19112 PWs) bands (ev): -16.2117 -16.2117 -16.2117 -16.2117 -9.4930 -9.4930 -9.4925 -9.4925 -4.9772 -4.9772 -4.9697 -4.9697 -3.5740 -3.5740 -3.5587 -3.5587 -3.5272 -3.5272 -3.5221 -3.5221 -2.2403 -2.2403 -2.2390 -2.2390 -0.8061 -0.8061 -0.8052 -0.8052 -0.1561 -0.1561 -0.1514 -0.1514 -0.0914 -0.0914 -0.0896 -0.0896 0.3546 0.3546 0.3558 0.3558 0.6438 0.6438 0.6442 0.6442 1.2223 1.2223 1.2342 1.2342 1.4488 1.4488 1.4591 1.4591 2.1516 2.1516 2.1558 2.1558 7.5012 7.5012 7.5025 7.5025 8.1798 8.1798 8.1821 8.1821 8.8162 8.8162 8.8246 8.8246 k = 0.0116 0.0116 0.3076 ( 19126 PWs) bands (ev): -16.2118 -16.2118 -16.2118 -16.2118 -9.4932 -9.4932 -9.4930 -9.4930 -4.9751 -4.9751 -4.9713 -4.9713 -3.5697 -3.5697 -3.5619 -3.5619 -3.5257 -3.5257 -3.5230 -3.5230 -2.2286 -2.2286 -2.2279 -2.2279 -0.8194 -0.8194 -0.8189 -0.8189 -0.1527 -0.1527 -0.1503 -0.1503 -0.0890 -0.0890 -0.0881 -0.0881 0.3565 0.3565 0.3571 0.3571 0.6439 0.6439 0.6441 0.6441 1.2196 1.2196 1.2256 1.2256 1.4455 1.4455 1.4507 1.4507 2.1523 2.1523 2.1545 2.1545 7.5003 7.5003 7.5009 7.5009 8.1901 8.1901 8.1912 8.1912 8.8664 8.8664 8.8722 8.8722 k = 0.0000 0.0000 0.3076 ( 19126 PWs) bands (ev): -16.2118 -16.2118 -16.2118 -16.2118 -9.4932 -9.4932 -9.4932 -9.4932 -4.9731 -4.9731 -4.9731 -4.9731 -3.5656 -3.5656 -3.5656 -3.5656 -3.5242 -3.5242 -3.5242 -3.5242 -2.2244 -2.2244 -2.2244 -2.2244 -0.8237 -0.8237 -0.8237 -0.8237 -0.1507 -0.1507 -0.1507 -0.1507 -0.0880 -0.0880 -0.0880 -0.0880 0.3573 0.3573 0.3573 0.3573 0.6440 0.6440 0.6440 0.6440 1.2208 1.2208 1.2208 1.2208 1.4461 1.4461 1.4461 1.4461 2.1533 2.1533 2.1533 2.1533 7.5002 7.5002 7.5002 7.5002 8.1937 8.1937 8.1937 8.1937 8.8887 8.8887 8.8887 8.8887 k = 0.0000 0.5000-0.0000 ( 19112 PWs) bands (ev): -16.2373 -16.2373 -16.1709 -16.1709 -9.5197 -9.5197 -9.3757 -9.3757 -5.0997 -5.0997 -4.9379 -4.9379 -3.8185 -3.8185 -3.7965 -3.7965 -3.5017 -3.5017 -3.4527 -3.4527 -3.2894 -3.2894 -2.2188 -2.2188 -0.8748 -0.8748 -0.5995 -0.5995 -0.4753 -0.4753 -0.1486 -0.1486 -0.0958 -0.0958 0.2123 0.2123 0.3744 0.3744 0.6155 0.6155 0.6716 0.6716 1.3423 1.3423 1.5159 1.5159 1.6125 1.6125 1.6715 1.6715 2.3345 2.3345 2.4774 2.4774 2.5586 2.5586 6.2773 6.2773 6.5797 6.5797 6.6272 6.6272 7.9765 7.9765 7.9780 7.9780 8.5042 8.5042 k = 0.0000 0.5000 0.0162 ( 19112 PWs) bands (ev): -16.2372 -16.2372 -16.1710 -16.1710 -9.5197 -9.5197 -9.3757 -9.3757 -5.0994 -5.0994 -4.9379 -4.9379 -3.8206 -3.8206 -3.7939 -3.7939 -3.5017 -3.5017 -3.4529 -3.4529 -3.2903 -3.2903 -2.2188 -2.2188 -0.8748 -0.8748 -0.5995 -0.5995 -0.4753 -0.4753 -0.1486 -0.1486 -0.0958 -0.0958 0.2125 0.2125 0.3743 0.3743 0.6156 0.6156 0.6715 0.6715 1.3430 1.3430 1.5160 1.5160 1.6126 1.6126 1.6712 1.6712 2.3339 2.3339 2.4774 2.4774 2.5586 2.5586 6.2791 6.2791 6.5794 6.5794 6.6284 6.6284 7.9779 7.9779 7.9803 7.9803 8.5036 8.5036 k = 0.0000 0.5000 0.0324 ( 19114 PWs) bands (ev): -16.2369 -16.2369 -16.1714 -16.1714 -9.5197 -9.5197 -9.3756 -9.3756 -5.0988 -5.0988 -4.9380 -4.9380 -3.8251 -3.8251 -3.7879 -3.7879 -3.5018 -3.5018 -3.4534 -3.4534 -3.2927 -3.2927 -2.2188 -2.2188 -0.8748 -0.8748 -0.5994 -0.5994 -0.4753 -0.4753 -0.1486 -0.1486 -0.0958 -0.0958 0.2128 0.2128 0.3740 0.3740 0.6159 0.6159 0.6713 0.6713 1.3450 1.3450 1.5164 1.5164 1.6127 1.6127 1.6703 1.6703 2.3319 2.3319 2.4773 2.4773 2.5586 2.5586 6.2847 6.2847 6.5785 6.5785 6.6322 6.6322 7.9789 7.9789 7.9901 7.9901 8.5013 8.5013 k = 0.0000 0.5000 0.0486 ( 19108 PWs) bands (ev): -16.2363 -16.2363 -16.1719 -16.1719 -9.5197 -9.5197 -9.3756 -9.3756 -5.0976 -5.0976 -4.9382 -4.9382 -3.8302 -3.8302 -3.7802 -3.7802 -3.5018 -3.5018 -3.4542 -3.4542 -3.2968 -3.2968 -2.2188 -2.2188 -0.8749 -0.8749 -0.5994 -0.5994 -0.4754 -0.4754 -0.1487 -0.1487 -0.0958 -0.0958 0.2133 0.2133 0.3734 0.3734 0.6163 0.6163 0.6708 0.6708 1.3483 1.3483 1.5171 1.5171 1.6128 1.6128 1.6688 1.6688 2.3286 2.3286 2.4773 2.4773 2.5587 2.5587 6.2937 6.2937 6.5770 6.5770 6.6385 6.6385 7.9805 7.9805 8.0066 8.0066 8.4975 8.4975 k = 0.0000 0.5000 0.0648 ( 19112 PWs) bands (ev): -16.2356 -16.2356 -16.1727 -16.1727 -9.5197 -9.5197 -9.3755 -9.3755 -5.0961 -5.0961 -4.9385 -4.9385 -3.8353 -3.8353 -3.7715 -3.7715 -3.5018 -3.5018 -3.4554 -3.4554 -3.3024 -3.3024 -2.2188 -2.2188 -0.8749 -0.8749 -0.5993 -0.5993 -0.4754 -0.4754 -0.1488 -0.1488 -0.0958 -0.0958 0.2141 0.2141 0.3727 0.3727 0.6169 0.6169 0.6701 0.6701 1.3529 1.3529 1.5180 1.5180 1.6131 1.6131 1.6668 1.6668 2.3242 2.3242 2.4772 2.4772 2.5588 2.5588 6.3062 6.3062 6.5747 6.5747 6.6475 6.6475 7.9826 7.9826 8.0294 8.0294 8.4919 8.4919 k = 0.0000 0.5000 0.0810 ( 19142 PWs) bands (ev): -16.2346 -16.2346 -16.1738 -16.1738 -9.5197 -9.5197 -9.3754 -9.3754 -5.0942 -5.0942 -4.9388 -4.9388 -3.8401 -3.8401 -3.7622 -3.7622 -3.5019 -3.5019 -3.4569 -3.4569 -3.3094 -3.3094 -2.2188 -2.2188 -0.8750 -0.8750 -0.5992 -0.5992 -0.4754 -0.4754 -0.1490 -0.1490 -0.0957 -0.0957 0.2151 0.2151 0.3718 0.3718 0.6176 0.6176 0.6693 0.6693 1.3587 1.3587 1.5191 1.5191 1.6134 1.6134 1.6642 1.6642 2.3187 2.3187 2.4771 2.4771 2.5590 2.5590 6.3217 6.3217 6.5718 6.5718 6.6589 6.6589 7.9850 7.9850 8.0580 8.0580 8.4850 8.4850 k = 0.0000 0.5000 0.0971 ( 19150 PWs) bands (ev): -16.2334 -16.2334 -16.1750 -16.1750 -9.5197 -9.5197 -9.3753 -9.3753 -5.0919 -5.0919 -4.9391 -4.9391 -3.8445 -3.8445 -3.7523 -3.7523 -3.5019 -3.5019 -3.4587 -3.4587 -3.3177 -3.3177 -2.2187 -2.2187 -0.8751 -0.8751 -0.5991 -0.5991 -0.4755 -0.4755 -0.1491 -0.1491 -0.0957 -0.0957 0.2162 0.2162 0.3707 0.3707 0.6185 0.6185 0.6683 0.6683 1.3655 1.3655 1.5204 1.5204 1.6137 1.6137 1.6611 1.6611 2.3122 2.3122 2.4770 2.4770 2.5592 2.5592 6.3399 6.3399 6.5685 6.5685 6.6727 6.6727 7.9877 7.9877 8.0919 8.0919 8.4769 8.4769 k = 0.0000 0.5000 0.1133 ( 19134 PWs) bands (ev): -16.2320 -16.2320 -16.1764 -16.1764 -9.5197 -9.5197 -9.3752 -9.3752 -5.0894 -5.0894 -4.9395 -4.9395 -3.8484 -3.8484 -3.7420 -3.7420 -3.5020 -3.5020 -3.4609 -3.4609 -3.3271 -3.3271 -2.2187 -2.2187 -0.8751 -0.8751 -0.5990 -0.5990 -0.4755 -0.4755 -0.1493 -0.1493 -0.0956 -0.0956 0.2174 0.2174 0.3695 0.3695 0.6196 0.6196 0.6672 0.6672 1.3732 1.3732 1.5219 1.5219 1.6140 1.6140 1.6576 1.6576 2.3049 2.3049 2.4769 2.4769 2.5594 2.5594 6.3603 6.3603 6.5650 6.5650 6.6885 6.6885 7.9905 7.9905 8.1300 8.1300 8.4679 8.4679 k = 0.0000 0.5000 0.1295 ( 19144 PWs) bands (ev): -16.2305 -16.2305 -16.1780 -16.1780 -9.5197 -9.5197 -9.3751 -9.3751 -5.0867 -5.0867 -4.9399 -4.9399 -3.8519 -3.8519 -3.7312 -3.7312 -3.5020 -3.5020 -3.4633 -3.4633 -3.3374 -3.3374 -2.2187 -2.2187 -0.8752 -0.8752 -0.5989 -0.5989 -0.4755 -0.4755 -0.1495 -0.1495 -0.0955 -0.0955 0.2188 0.2188 0.3682 0.3682 0.6208 0.6208 0.6659 0.6659 1.3818 1.3818 1.5234 1.5234 1.6141 1.6141 1.6537 1.6537 2.2970 2.2970 2.4769 2.4769 2.5597 2.5597 6.3823 6.3823 6.5616 6.5616 6.7061 6.7061 7.9933 7.9933 8.1710 8.1710 8.4583 8.4583 k = 0.0000 0.5000 0.1457 ( 19154 PWs) bands (ev): -16.2287 -16.2287 -16.1798 -16.1798 -9.5197 -9.5197 -9.3749 -9.3749 -5.0839 -5.0839 -4.9404 -4.9404 -3.8550 -3.8550 -3.7201 -3.7201 -3.5021 -3.5021 -3.4660 -3.4660 -3.3484 -3.3484 -2.2186 -2.2186 -0.8753 -0.8753 -0.5987 -0.5987 -0.4756 -0.4756 -0.1497 -0.1497 -0.0955 -0.0955 0.2203 0.2203 0.3668 0.3668 0.6222 0.6222 0.6644 0.6644 1.3910 1.3910 1.5250 1.5250 1.6140 1.6140 1.6497 1.6497 2.2887 2.2887 2.4769 2.4769 2.5599 2.5599 6.4052 6.4052 6.5587 6.5587 6.7251 6.7251 7.9958 7.9958 8.2128 8.2128 8.4483 8.4483 k = 0.0000 0.5000 0.1619 ( 19160 PWs) bands (ev): -16.2268 -16.2268 -16.1818 -16.1818 -9.5196 -9.5196 -9.3748 -9.3748 -5.0810 -5.0810 -4.9409 -4.9409 -3.8577 -3.8577 -3.7087 -3.7087 -3.5023 -3.5023 -3.4690 -3.4690 -3.3599 -3.3599 -2.2186 -2.2186 -0.8754 -0.8754 -0.5986 -0.5986 -0.4756 -0.4756 -0.1499 -0.1499 -0.0954 -0.0954 0.2217 0.2217 0.3654 0.3654 0.6237 0.6237 0.6629 0.6629 1.4007 1.4007 1.5266 1.5266 1.6134 1.6134 1.6459 1.6459 2.2801 2.2801 2.4769 2.4769 2.5602 2.5602 6.4278 6.4278 6.5569 6.5569 6.7450 6.7450 7.9979 7.9979 8.2520 8.2520 8.4383 8.4383 k = 0.0000 0.5000 0.1781 ( 19148 PWs) bands (ev): -16.2247 -16.2247 -16.1839 -16.1839 -9.5196 -9.5196 -9.3747 -9.3747 -5.0781 -5.0781 -4.9413 -4.9413 -3.8600 -3.8600 -3.6971 -3.6971 -3.5027 -3.5027 -3.4722 -3.4722 -3.3714 -3.3714 -2.2186 -2.2186 -0.8755 -0.8755 -0.5985 -0.5985 -0.4756 -0.4756 -0.1501 -0.1501 -0.0953 -0.0953 0.2232 0.2232 0.3640 0.3640 0.6253 0.6253 0.6612 0.6612 1.4108 1.4108 1.5282 1.5282 1.6121 1.6121 1.6424 1.6424 2.2717 2.2717 2.4769 2.4769 2.5606 2.5606 6.4489 6.4489 6.5571 6.5571 6.7654 6.7654 7.9995 7.9995 8.2847 8.2847 8.4285 8.4285 k = 0.0000 0.5000 0.1943 ( 19138 PWs) bands (ev): -16.2225 -16.2225 -16.1861 -16.1861 -9.5196 -9.5196 -9.3745 -9.3745 -5.0753 -5.0753 -4.9418 -4.9418 -3.8619 -3.8619 -3.6854 -3.6854 -3.5035 -3.5035 -3.4754 -3.4754 -3.3828 -3.3828 -2.2185 -2.2185 -0.8756 -0.8756 -0.5984 -0.5984 -0.4755 -0.4755 -0.1503 -0.1503 -0.0953 -0.0953 0.2247 0.2247 0.3626 0.3626 0.6269 0.6269 0.6595 0.6595 1.4209 1.4209 1.5298 1.5298 1.6097 1.6097 1.6397 1.6397 2.2635 2.2635 2.4769 2.4769 2.5609 2.5609 6.4667 6.4667 6.5604 6.5604 6.7857 6.7857 8.0004 8.0004 8.3069 8.3069 8.4192 8.4192 k = 0.0000 0.5000 0.2105 ( 19160 PWs) bands (ev): -16.2202 -16.2202 -16.1885 -16.1885 -9.5196 -9.5196 -9.3744 -9.3744 -5.0727 -5.0727 -4.9422 -4.9422 -3.8635 -3.8635 -3.6738 -3.6738 -3.5049 -3.5049 -3.4785 -3.4785 -3.3936 -3.3936 -2.2185 -2.2185 -0.8757 -0.8757 -0.5983 -0.5983 -0.4755 -0.4755 -0.1505 -0.1505 -0.0952 -0.0952 0.2261 0.2261 0.3613 0.3613 0.6287 0.6287 0.6577 0.6577 1.4308 1.4308 1.5313 1.5313 1.6062 1.6062 1.6379 1.6379 2.2558 2.2558 2.4770 2.4770 2.5612 2.5612 6.4795 6.4795 6.5678 6.5678 6.8052 6.8052 8.0008 8.0008 8.3168 8.3168 8.4107 8.4107 k = 0.0000 0.5000 0.2267 ( 19168 PWs) bands (ev): -16.2178 -16.2178 -16.1910 -16.1910 -9.5196 -9.5196 -9.3743 -9.3743 -5.0704 -5.0704 -4.9426 -4.9426 -3.8648 -3.8648 -3.6624 -3.6624 -3.5074 -3.5074 -3.4810 -3.4810 -3.4034 -3.4034 -2.2185 -2.2185 -0.8757 -0.8757 -0.5982 -0.5982 -0.4755 -0.4755 -0.1507 -0.1507 -0.0951 -0.0951 0.2274 0.2274 0.3601 0.3601 0.6305 0.6305 0.6558 0.6558 1.4403 1.4403 1.5327 1.5327 1.6018 1.6018 1.6370 1.6370 2.2488 2.2488 2.4770 2.4770 2.5614 2.5614 6.4872 6.4872 6.5789 6.5789 6.8234 6.8234 8.0005 8.0005 8.3162 8.3162 8.4031 8.4031 k = 0.0000 0.5000 0.2429 ( 19172 PWs) bands (ev): -16.2152 -16.2152 -16.1935 -16.1935 -9.5196 -9.5196 -9.3742 -9.3742 -5.0683 -5.0683 -4.9429 -4.9429 -3.8658 -3.8658 -3.6516 -3.6516 -3.5110 -3.5110 -3.4827 -3.4827 -3.4119 -3.4119 -2.2185 -2.2185 -0.8758 -0.8758 -0.5981 -0.5981 -0.4755 -0.4755 -0.1508 -0.1508 -0.0951 -0.0951 0.2285 0.2285 0.3590 0.3590 0.6323 0.6323 0.6540 0.6540 1.4491 1.4491 1.5339 1.5339 1.5969 1.5969 1.6367 1.6367 2.2428 2.2428 2.4771 2.4771 2.5617 2.5617 6.4911 6.4911 6.5917 6.5917 6.8395 6.8395 7.9998 7.9998 8.3089 8.3089 8.3966 8.3966 k = 0.0000 0.5000 0.2590 ( 19196 PWs) bands (ev): -16.2127 -16.2127 -16.1962 -16.1962 -9.5196 -9.5196 -9.3742 -9.3742 -5.0667 -5.0667 -4.9432 -4.9432 -3.8666 -3.8666 -3.6419 -3.6419 -3.5154 -3.5154 -3.4837 -3.4837 -3.4188 -3.4188 -2.2185 -2.2185 -0.8758 -0.8758 -0.5981 -0.5981 -0.4755 -0.4755 -0.1509 -0.1509 -0.0951 -0.0951 0.2294 0.2294 0.3582 0.3582 0.6340 0.6340 0.6523 0.6523 1.4566 1.4566 1.5351 1.5351 1.5922 1.5922 1.6367 1.6367 2.2379 2.2379 2.4771 2.4771 2.5619 2.5619 6.4927 6.4927 6.6039 6.6039 6.8529 6.8529 7.9989 7.9989 8.2990 8.2990 8.3914 8.3914 k = 0.0000 0.5000 0.2752 ( 19176 PWs) bands (ev): -16.2100 -16.2100 -16.1988 -16.1988 -9.5196 -9.5196 -9.3741 -9.3741 -5.0655 -5.0655 -4.9434 -4.9434 -3.8671 -3.8671 -3.6339 -3.6339 -3.5198 -3.5198 -3.4841 -3.4841 -3.4238 -3.4238 -2.2184 -2.2184 -0.8759 -0.8759 -0.5980 -0.5980 -0.4754 -0.4754 -0.1510 -0.1510 -0.0950 -0.0950 0.2300 0.2300 0.3575 0.3575 0.6355 0.6355 0.6508 0.6508 1.4626 1.4626 1.5360 1.5360 1.5881 1.5881 1.6368 1.6368 2.2343 2.2343 2.4771 2.4771 2.5620 2.5620 6.4932 6.4932 6.6137 6.6137 6.8630 6.8630 7.9981 7.9981 8.2898 8.2898 8.3876 8.3876 k = 0.0000 0.5000 0.2914 ( 19184 PWs) bands (ev): -16.2074 -16.2074 -16.2014 -16.2014 -9.5196 -9.5196 -9.3741 -9.3741 -5.0647 -5.0647 -4.9435 -4.9435 -3.8674 -3.8674 -3.6285 -3.6285 -3.5231 -3.5231 -3.4843 -3.4843 -3.4269 -3.4269 -2.2184 -2.2184 -0.8759 -0.8759 -0.5980 -0.5980 -0.4754 -0.4754 -0.1510 -0.1510 -0.0950 -0.0950 0.2304 0.2304 0.3572 0.3572 0.6365 0.6365 0.6497 0.6497 1.4664 1.4664 1.5367 1.5367 1.5852 1.5852 1.6369 1.6369 2.2321 2.2321 2.4772 2.4772 2.5621 2.5621 6.4933 6.4933 6.6200 6.6200 6.8692 6.8692 7.9974 7.9974 8.2835 8.2835 8.3853 8.3853 k = 0.0000 0.5000 0.3076 ( 19192 PWs) bands (ev): -16.2057 -16.2057 -16.2032 -16.2032 -9.5196 -9.5196 -9.3741 -9.3741 -5.0645 -5.0645 -4.9436 -4.9436 -3.8675 -3.8675 -3.6266 -3.6266 -3.5243 -3.5243 -3.4843 -3.4843 -3.4279 -3.4279 -2.2184 -2.2184 -0.8759 -0.8759 -0.5980 -0.5980 -0.4754 -0.4754 -0.1511 -0.1511 -0.0950 -0.0950 0.2306 0.2306 0.3570 0.3570 0.6369 0.6369 0.6493 0.6493 1.4677 1.4677 1.5369 1.5369 1.5842 1.5842 1.6370 1.6370 2.2314 2.2314 2.4772 2.4772 2.5621 2.5621 6.4933 6.4933 6.6222 6.6222 6.8714 6.8714 7.9972 7.9972 8.2812 8.2812 8.3845 8.3845 k = 0.5000 0.5000-0.0000 ( 19176 PWs) bands (ev): -16.2289 -16.2289 -16.1652 -16.1652 -9.4033 -9.4033 -9.3978 -9.3978 -5.1793 -5.1793 -4.8947 -4.8947 -3.9226 -3.9226 -3.6469 -3.6469 -3.6385 -3.6385 -3.6079 -3.6079 -3.5513 -3.5513 -3.2995 -3.2995 -0.6582 -0.6582 -0.4903 -0.4903 -0.4244 -0.4244 -0.4105 -0.4105 0.2155 0.2155 0.2753 0.2753 0.6217 0.6217 0.6917 0.6917 1.3504 1.3504 1.6079 1.6079 1.6221 1.6221 1.9443 1.9443 2.3772 2.3772 2.6486 2.6486 2.6917 2.6917 2.7180 2.7180 5.2068 5.2068 5.5564 5.5564 5.5973 5.5973 7.9822 7.9822 8.5048 8.5048 8.5674 8.5674 k = 0.5000 0.5000 0.0162 ( 19164 PWs) bands (ev): -16.2288 -16.2288 -16.1654 -16.1654 -9.4033 -9.4033 -9.3978 -9.3978 -5.1787 -5.1787 -4.8952 -4.8952 -3.9219 -3.9219 -3.6468 -3.6468 -3.6384 -3.6384 -3.6080 -3.6080 -3.5513 -3.5513 -3.3009 -3.3009 -0.6576 -0.6576 -0.4903 -0.4903 -0.4245 -0.4245 -0.4107 -0.4107 0.2156 0.2156 0.2753 0.2753 0.6219 0.6219 0.6916 0.6916 1.3510 1.3510 1.6080 1.6080 1.6221 1.6221 1.9428 1.9428 2.3778 2.3778 2.6486 2.6486 2.6916 2.6916 2.7176 2.7176 5.2104 5.2104 5.5568 5.5568 5.5975 5.5975 7.9646 7.9646 8.5083 8.5083 8.5839 8.5839 k = 0.5000 0.5000 0.0324 ( 19176 PWs) bands (ev): -16.2285 -16.2285 -16.1657 -16.1657 -9.4032 -9.4032 -9.3978 -9.3978 -5.1770 -5.1770 -4.8964 -4.8964 -3.9199 -3.9199 -3.6466 -3.6466 -3.6381 -3.6381 -3.6081 -3.6081 -3.5514 -3.5514 -3.3050 -3.3050 -0.6560 -0.6560 -0.4905 -0.4905 -0.4246 -0.4246 -0.4111 -0.4111 0.2160 0.2160 0.2750 0.2750 0.6223 0.6223 0.6913 0.6913 1.3530 1.3530 1.6081 1.6081 1.6221 1.6221 1.9384 1.9384 2.3798 2.3798 2.6486 2.6486 2.6911 2.6911 2.7162 2.7162 5.2213 5.2213 5.5580 5.5580 5.5981 5.5981 7.9167 7.9167 8.5190 8.5190 8.6282 8.6282 k = 0.5000 0.5000 0.0486 ( 19168 PWs) bands (ev): -16.2280 -16.2280 -16.1662 -16.1662 -9.4032 -9.4032 -9.3979 -9.3979 -5.1742 -5.1742 -4.8985 -4.8985 -3.9165 -3.9165 -3.6463 -3.6463 -3.6375 -3.6375 -3.6084 -3.6084 -3.5516 -3.5516 -3.3118 -3.3118 -0.6532 -0.6532 -0.4907 -0.4907 -0.4249 -0.4249 -0.4118 -0.4118 0.2167 0.2167 0.2746 0.2746 0.6230 0.6230 0.6908 0.6908 1.3564 1.3564 1.6083 1.6083 1.6221 1.6221 1.9312 1.9312 2.3830 2.3830 2.6485 2.6485 2.6903 2.6903 2.7140 2.7140 5.2392 5.2392 5.5600 5.5600 5.5992 5.5992 7.8481 7.8481 8.5368 8.5368 8.6908 8.6908 k = 0.5000 0.5000 0.0648 ( 19164 PWs) bands (ev): -16.2272 -16.2272 -16.1670 -16.1670 -9.4031 -9.4031 -9.3979 -9.3979 -5.1704 -5.1704 -4.9015 -4.9015 -3.9117 -3.9117 -3.6458 -3.6458 -3.6368 -3.6368 -3.6087 -3.6087 -3.5518 -3.5518 -3.3212 -3.3212 -0.6495 -0.6495 -0.4911 -0.4911 -0.4253 -0.4253 -0.4128 -0.4128 0.2176 0.2176 0.2741 0.2741 0.6239 0.6239 0.6901 0.6901 1.3611 1.3611 1.6086 1.6086 1.6221 1.6221 1.9212 1.9212 2.3874 2.3874 2.6483 2.6483 2.6893 2.6893 2.7109 2.7109 5.2640 5.2640 5.5628 5.5628 5.6006 5.6006 7.7669 7.7669 8.5617 8.5617 8.7637 8.7637 k = 0.5000 0.5000 0.0810 ( 19140 PWs) bands (ev): -16.2263 -16.2263 -16.1680 -16.1680 -9.4030 -9.4030 -9.3980 -9.3980 -5.1655 -5.1655 -4.9052 -4.9052 -3.9056 -3.9056 -3.6452 -3.6452 -3.6360 -3.6360 -3.6092 -3.6092 -3.5521 -3.5521 -3.3330 -3.3330 -0.6448 -0.6448 -0.4917 -0.4917 -0.4258 -0.4258 -0.4141 -0.4141 0.2188 0.2188 0.2734 0.2734 0.6251 0.6251 0.6892 0.6892 1.3672 1.3672 1.6090 1.6090 1.6221 1.6221 1.9086 1.9086 2.3932 2.3932 2.6481 2.6481 2.6880 2.6880 2.7069 2.7069 5.2955 5.2955 5.5663 5.5663 5.6023 5.6023 7.6777 7.6777 8.5937 8.5937 8.8422 8.8422 k = 0.5000 0.5000 0.0971 ( 19156 PWs) bands (ev): -16.2251 -16.2251 -16.1691 -16.1691 -9.4029 -9.4029 -9.3981 -9.3981 -5.1596 -5.1596 -4.9098 -4.9098 -3.8981 -3.8981 -3.6445 -3.6445 -3.6350 -3.6350 -3.6097 -3.6097 -3.5524 -3.5524 -3.3470 -3.3470 -0.6392 -0.6392 -0.4924 -0.4924 -0.4264 -0.4264 -0.4156 -0.4156 0.2201 0.2201 0.2726 0.2726 0.6266 0.6266 0.6881 0.6881 1.3746 1.3746 1.6094 1.6094 1.6220 1.6220 1.8935 1.8935 2.4001 2.4001 2.6479 2.6479 2.6864 2.6864 2.7021 2.7021 5.3333 5.3333 5.5706 5.5706 5.6043 5.6043 7.5837 7.5837 8.6326 8.6326 8.9232 8.9232 k = 0.5000 0.5000 0.1133 ( 19164 PWs) bands (ev): -16.2238 -16.2238 -16.1705 -16.1705 -9.4028 -9.4028 -9.3982 -9.3982 -5.1528 -5.1528 -4.9151 -4.9151 -3.8893 -3.8893 -3.6437 -3.6437 -3.6341 -3.6341 -3.6103 -3.6103 -3.5528 -3.5528 -3.3630 -3.3630 -0.6329 -0.6329 -0.4933 -0.4933 -0.4271 -0.4271 -0.4172 -0.4172 0.2217 0.2217 0.2716 0.2716 0.6283 0.6283 0.6868 0.6868 1.3834 1.3834 1.6099 1.6099 1.6219 1.6219 1.8762 1.8762 2.4083 2.4083 2.6476 2.6476 2.6846 2.6846 2.6965 2.6965 5.3768 5.3768 5.5759 5.5759 5.6065 5.6065 7.4863 7.4863 8.6784 8.6784 9.0052 9.0052 k = 0.5000 0.5000 0.1295 ( 19192 PWs) bands (ev): -16.2223 -16.2223 -16.1721 -16.1721 -9.4027 -9.4027 -9.3983 -9.3983 -5.1451 -5.1451 -4.9211 -4.9211 -3.8791 -3.8791 -3.6428 -3.6428 -3.6332 -3.6332 -3.6109 -3.6109 -3.5533 -3.5533 -3.3807 -3.3807 -0.6259 -0.6259 -0.4945 -0.4945 -0.4278 -0.4278 -0.4191 -0.4191 0.2235 0.2235 0.2704 0.2704 0.6302 0.6302 0.6854 0.6854 1.3935 1.3935 1.6105 1.6105 1.6219 1.6219 1.8570 1.8570 2.4176 2.4176 2.6472 2.6472 2.6827 2.6827 2.6902 2.6902 5.4255 5.4255 5.5824 5.5824 5.6088 5.6088 7.3869 7.3869 8.7311 8.7311 9.0871 9.0871 k = 0.5000 0.5000 0.1457 ( 19176 PWs) bands (ev): -16.2206 -16.2206 -16.1738 -16.1738 -9.4025 -9.4025 -9.3985 -9.3985 -5.1366 -5.1366 -4.9279 -4.9279 -3.8675 -3.8675 -3.6418 -3.6418 -3.6325 -3.6325 -3.6115 -3.6115 -3.5538 -3.5538 -3.3998 -3.3998 -0.6184 -0.6184 -0.4960 -0.4960 -0.4286 -0.4286 -0.4210 -0.4210 0.2255 0.2255 0.2691 0.2691 0.6322 0.6322 0.6838 0.6838 1.4050 1.4050 1.6111 1.6111 1.6217 1.6217 1.8360 1.8360 2.4279 2.4279 2.6466 2.6466 2.6807 2.6807 2.6833 2.6833 5.4775 5.4775 5.5913 5.5913 5.6112 5.6112 7.2860 7.2860 8.7906 8.7906 9.1680 9.1680 k = 0.5000 0.5000 0.1619 ( 19176 PWs) bands (ev): -16.2188 -16.2188 -16.1757 -16.1757 -9.4023 -9.4023 -9.3986 -9.3986 -5.1274 -5.1274 -4.9354 -4.9354 -3.8547 -3.8547 -3.6406 -3.6406 -3.6322 -3.6322 -3.6123 -3.6123 -3.5544 -3.5544 -3.4200 -3.4200 -0.6104 -0.6104 -0.4978 -0.4978 -0.4294 -0.4294 -0.4230 -0.4230 0.2276 0.2276 0.2677 0.2677 0.6345 0.6345 0.6820 0.6820 1.4178 1.4178 1.6117 1.6117 1.6216 1.6216 1.8136 1.8136 2.4391 2.4391 2.6455 2.6455 2.6761 2.6761 2.6785 2.6785 5.5282 5.5282 5.6070 5.6070 5.6134 5.6134 7.1842 7.1842 8.8566 8.8566 9.2476 9.2476 k = 0.5000 0.5000 0.1781 ( 19168 PWs) bands (ev): -16.2168 -16.2168 -16.1777 -16.1777 -9.4022 -9.4022 -9.3988 -9.3988 -5.1175 -5.1175 -4.9435 -4.9435 -3.8406 -3.8406 -3.6394 -3.6394 -3.6323 -3.6323 -3.6130 -3.6130 -3.5551 -3.5551 -3.4408 -3.4408 -0.6022 -0.6022 -0.5000 -0.5000 -0.4302 -0.4302 -0.4249 -0.4249 0.2298 0.2298 0.2661 0.2661 0.6370 0.6370 0.6800 0.6800 1.4319 1.4319 1.6124 1.6124 1.6214 1.6214 1.7900 1.7900 2.4512 2.4512 2.6435 2.6435 2.6692 2.6692 2.6763 2.6763 5.5641 5.5641 5.6155 5.6155 5.6424 5.6424 7.0820 7.0820 8.9291 8.9291 9.3254 9.3254 k = 0.5000 0.5000 0.1943 ( 19120 PWs) bands (ev): -16.2147 -16.2147 -16.1799 -16.1799 -9.4020 -9.4020 -9.3990 -9.3990 -5.1072 -5.1072 -4.9523 -4.9523 -3.8253 -3.8253 -3.6381 -3.6381 -3.6332 -3.6332 -3.6139 -3.6139 -3.5557 -3.5557 -3.4617 -3.4617 -0.5937 -0.5937 -0.5027 -0.5027 -0.4310 -0.4310 -0.4268 -0.4268 0.2321 0.2321 0.2644 0.2644 0.6396 0.6396 0.6779 0.6779 1.4474 1.4474 1.6131 1.6131 1.6212 1.6212 1.7656 1.7656 2.4640 2.4640 2.6397 2.6397 2.6634 2.6634 2.6741 2.6741 5.5811 5.5811 5.6174 5.6174 5.7012 5.7012 6.9797 6.9797 9.0079 9.0079 9.4012 9.4012 k = 0.5000 0.5000 0.2105 ( 19124 PWs) bands (ev): -16.2124 -16.2124 -16.1821 -16.1821 -9.4018 -9.4018 -9.3991 -9.3991 -5.0963 -5.0963 -4.9616 -4.9616 -3.8089 -3.8089 -3.6367 -3.6367 -3.6351 -3.6351 -3.6151 -3.6151 -3.5563 -3.5563 -3.4820 -3.4820 -0.5851 -0.5851 -0.5058 -0.5058 -0.4318 -0.4318 -0.4286 -0.4286 0.2346 0.2346 0.2626 0.2626 0.6423 0.6423 0.6756 0.6756 1.4642 1.4642 1.6137 1.6137 1.6210 1.6210 1.7405 1.7405 2.4773 2.4773 2.6331 2.6331 2.6598 2.6598 2.6719 2.6719 5.5905 5.5905 5.6189 5.6189 5.7716 5.7716 6.8777 6.8777 9.0926 9.0926 9.4747 9.4747 k = 0.5000 0.5000 0.2267 ( 19108 PWs) bands (ev): -16.2101 -16.2101 -16.1845 -16.1845 -9.4015 -9.4015 -9.3993 -9.3993 -5.0851 -5.0851 -4.9714 -4.9714 -3.7915 -3.7915 -3.6384 -3.6384 -3.6352 -3.6352 -3.6166 -3.6166 -3.5569 -3.5569 -3.5011 -3.5011 -0.5766 -0.5766 -0.5096 -0.5096 -0.4325 -0.4325 -0.4301 -0.4301 0.2370 0.2370 0.2607 0.2607 0.6451 0.6451 0.6732 0.6732 1.4822 1.4822 1.6144 1.6144 1.6207 1.6207 1.7151 1.7151 2.4911 2.4911 2.6241 2.6241 2.6581 2.6581 2.6698 2.6698 5.5973 5.5973 5.6200 5.6200 5.8482 5.8482 6.7761 6.7761 9.1831 9.1831 9.5456 9.5456 k = 0.5000 0.5000 0.2429 ( 19116 PWs) bands (ev): -16.2077 -16.2077 -16.1870 -16.1870 -9.4013 -9.4013 -9.3996 -9.3996 -5.0736 -5.0736 -4.9817 -4.9817 -3.7731 -3.7731 -3.6439 -3.6439 -3.6337 -3.6337 -3.6185 -3.6185 -3.5572 -3.5572 -3.5179 -3.5179 -0.5681 -0.5681 -0.5139 -0.5139 -0.4331 -0.4331 -0.4314 -0.4314 0.2395 0.2395 0.2586 0.2586 0.6479 0.6479 0.6707 0.6707 1.5014 1.5014 1.6149 1.6149 1.6204 1.6204 1.6896 1.6896 2.5052 2.5052 2.6134 2.6134 2.6576 2.6576 2.6677 2.6677 5.6028 5.6028 5.6206 5.6206 5.9292 5.9292 6.6754 6.6754 9.2788 9.2788 9.6139 9.6139 k = 0.5000 0.5000 0.2590 ( 19096 PWs) bands (ev): -16.2051 -16.2051 -16.1895 -16.1895 -9.4011 -9.4011 -9.3998 -9.3998 -5.0619 -5.0619 -4.9925 -4.9925 -3.7541 -3.7541 -3.6524 -3.6524 -3.6321 -3.6321 -3.6207 -3.6207 -3.5573 -3.5573 -3.5317 -3.5317 -0.5599 -0.5599 -0.5188 -0.5188 -0.4336 -0.4336 -0.4325 -0.4325 0.2420 0.2420 0.2565 0.2565 0.6508 0.6508 0.6680 0.6680 1.5217 1.5217 1.6153 1.6153 1.6200 1.6200 1.6644 1.6644 2.5194 2.5194 2.6015 2.6015 2.6578 2.6578 2.6657 2.6657 5.6074 5.6074 5.6207 5.6207 6.0139 6.0139 6.5756 6.5756 9.3794 9.3794 9.6793 9.6793 k = 0.5000 0.5000 0.2752 ( 19096 PWs) bands (ev): -16.2026 -16.2026 -16.1921 -16.1921 -9.4009 -9.4009 -9.4000 -9.4000 -5.0501 -5.0501 -5.0036 -5.0036 -3.7348 -3.7348 -3.6643 -3.6643 -3.6304 -3.6304 -3.6228 -3.6228 -3.5568 -3.5568 -3.5419 -3.5419 -0.5519 -0.5519 -0.5244 -0.5244 -0.4339 -0.4339 -0.4333 -0.4333 0.2446 0.2446 0.2542 0.2542 0.6538 0.6538 0.6653 0.6653 1.5431 1.5431 1.6151 1.6151 1.6197 1.6197 1.6401 1.6401 2.5337 2.5337 2.5889 2.5889 2.6585 2.6585 2.6639 2.6639 5.6113 5.6113 5.6201 5.6201 6.1017 6.1017 6.4772 6.4772 9.4838 9.4838 9.7418 9.7418 k = 0.5000 0.5000 0.2914 ( 19080 PWs) bands (ev): -16.2000 -16.2000 -16.1947 -16.1947 -9.4007 -9.4007 -9.4002 -9.4002 -5.0383 -5.0383 -5.0149 -5.0149 -3.7154 -3.7154 -3.6793 -3.6793 -3.6287 -3.6287 -3.6249 -3.6249 -3.5556 -3.5556 -3.5489 -3.5489 -0.5443 -0.5443 -0.5305 -0.5305 -0.4341 -0.4341 -0.4338 -0.4338 0.2471 0.2471 0.2519 0.2519 0.6567 0.6567 0.6625 0.6625 1.5653 1.5653 1.6089 1.6089 1.6194 1.6194 1.6221 1.6221 2.5479 2.5479 2.5756 2.5756 2.6595 2.6595 2.6622 2.6622 5.6146 5.6146 5.6189 5.6189 6.1923 6.1923 6.3803 6.3803 9.5906 9.5906 9.7626 9.7626 k = 0.5000 0.5000 0.3076 ( 19080 PWs) bands (ev): -16.1973 -16.1973 -16.1973 -16.1973 -9.4004 -9.4004 -9.4004 -9.4004 -5.0265 -5.0265 -5.0265 -5.0265 -3.6967 -3.6967 -3.6967 -3.6967 -3.6269 -3.6269 -3.6269 -3.6269 -3.5532 -3.5532 -3.5532 -3.5532 -0.5372 -0.5372 -0.5372 -0.5372 -0.4341 -0.4341 -0.4341 -0.4341 0.2495 0.2495 0.2495 0.2495 0.6596 0.6596 0.6596 0.6596 1.5881 1.5881 1.5881 1.5881 1.6194 1.6194 1.6194 1.6194 2.5619 2.5619 2.5619 2.5619 2.6607 2.6607 2.6607 2.6607 5.6171 5.6171 5.6171 5.6171 6.2852 6.2852 6.2852 6.2852 9.6941 9.6941 9.6941 9.6941 Writing output data file CsAgC2.save init_run : 0.54s CPU 0.68s WALL ( 1 calls) electrons : 545.40s CPU 551.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 545.39s CPU 551.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.19s WALL ( 272 calls) cegterg : 504.08s CPU 508.75s WALL ( 612 calls) Called by sum_band: Called by *egterg: h_psi : 315.56s CPU 320.09s WALL ( 9972 calls) s_psi : 13.63s CPU 13.66s WALL ( 9972 calls) g_psi : 0.71s CPU 0.71s WALL ( 9088 calls) cdiaghg : 140.92s CPU 141.25s WALL ( 9360 calls) cegterg:over : 24.82s CPU 24.78s WALL ( 9088 calls) cegterg:upda : 20.50s CPU 20.62s WALL ( 9088 calls) cegterg:last : 11.52s CPU 11.62s WALL ( 1345 calls) cdiaghg:chol : 6.35s CPU 6.37s WALL ( 9360 calls) cdiaghg:inve : 4.01s CPU 4.25s WALL ( 9360 calls) cdiaghg:para : 8.18s CPU 8.14s WALL ( 18720 calls) Called by h_psi: h_psi:vloc : 270.48s CPU 274.93s WALL ( 9972 calls) h_psi:vnl : 44.36s CPU 44.43s WALL ( 9972 calls) add_vuspsi : 24.55s CPU 24.59s WALL ( 9972 calls) General routines calbec : 19.75s CPU 19.81s WALL ( 9972 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 260.51s CPU 264.56s WALL ( 1069920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.31s CPU 0.50s WALL ( 544 calls) Parallel routines fft_scatter : 137.92s CPU 139.86s WALL ( 1069943 calls) PWSCF : 10m 7.22s CPU 10m37.29s WALL This run was terminated on: 4:36:19 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=