Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:10:16 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: ./Cs2PdCl4.save/ file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 118 69 19 5182 2321 339 Max 119 70 20 5185 2344 342 Sum 8521 4997 1373 373201 167887 24463 bravais-lattice index = 14 lattice parameter (alat) = 14.0138 a.u. unit-cell volume = 1736.5374 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.013830 celldm(2)= 1.000000 celldm(3)= 0.630977 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 0.630977 ) 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 1.584844 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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. # 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 Cl 7.00 35.45300 Cl( 1.00) Pd 18.00 106.42000 Pd( 1.00) Cs 9.00 132.90550 Cs( 1.00) 16 Sym. Ops., with inversion, found 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 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 259 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0038610 k( 3) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0038610 k( 4) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0038610 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0038610 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0038610 k( 7) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0038610 k( 8) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0038610 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0038610 k( 10) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0038610 k( 11) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0038610 k( 12) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0038610 k( 13) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0038610 k( 14) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0038610 k( 15) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0038610 k( 16) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0038610 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0038610 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0038610 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0038610 k( 20) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0038610 k( 21) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0038610 k( 22) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0038610 k( 23) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038610 k( 24) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038610 k( 25) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0038610 k( 26) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0038610 k( 27) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0038610 k( 28) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0038610 k( 29) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0038610 k( 30) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0038610 k( 31) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0038610 k( 32) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0038610 k( 33) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0038610 k( 34) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0038610 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038610 k( 36) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0038610 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0038610 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0038610 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0038610 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0038610 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0038610 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0038610 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0038610 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0038610 k( 45) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0038610 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038610 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038610 k( 48) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0038610 k( 49) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0038610 k( 50) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0038610 k( 51) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0038610 k( 52) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0038610 k( 53) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0038610 k( 54) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0038610 k( 55) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0038610 k( 56) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0038610 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0038610 k( 58) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0038610 k( 59) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0038610 k( 60) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0038610 k( 61) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0038610 k( 62) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038610 k( 63) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0038610 k( 64) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0038610 k( 65) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0038610 k( 66) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0038610 k( 67) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038610 k( 68) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0038610 k( 69) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0038610 k( 70) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0038610 k( 71) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0038610 k( 72) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0038610 k( 73) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0038610 k( 74) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0038610 k( 75) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0038610 k( 76) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0038610 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 79) = ( 0.0000000 0.0000000 0.0233065), wk = 0.0038610 k( 80) = ( 0.0000000 0.0000000 0.0466130), wk = 0.0038610 k( 81) = ( 0.0000000 0.0000000 0.0699196), wk = 0.0038610 k( 82) = ( 0.0000000 0.0000000 0.0932261), wk = 0.0038610 k( 83) = ( 0.0000000 0.0000000 0.1165326), wk = 0.0038610 k( 84) = ( 0.0000000 0.0000000 0.1398391), wk = 0.0038610 k( 85) = ( 0.0000000 0.0000000 0.1631457), wk = 0.0038610 k( 86) = ( 0.0000000 0.0000000 0.1864522), wk = 0.0038610 k( 87) = ( 0.0000000 0.0000000 0.2097587), wk = 0.0038610 k( 88) = ( 0.0000000 0.0000000 0.2330652), wk = 0.0038610 k( 89) = ( 0.0000000 0.0000000 0.2563718), wk = 0.0038610 k( 90) = ( 0.0000000 0.0000000 0.2796783), wk = 0.0038610 k( 91) = ( 0.0000000 0.0000000 0.3029848), wk = 0.0038610 k( 92) = ( 0.0000000 0.0000000 0.3262913), wk = 0.0038610 k( 93) = ( 0.0000000 0.0000000 0.3495979), wk = 0.0038610 k( 94) = ( 0.0000000 0.0000000 0.3729044), wk = 0.0038610 k( 95) = ( 0.0000000 0.0000000 0.3962109), wk = 0.0038610 k( 96) = ( 0.0000000 0.0000000 0.4195174), wk = 0.0038610 k( 97) = ( 0.0000000 0.0000000 0.4428239), wk = 0.0038610 k( 98) = ( 0.0000000 0.0000000 0.4661305), wk = 0.0038610 k( 99) = ( 0.0000000 0.0000000 0.4894370), wk = 0.0038610 k( 100) = ( 0.0000000 0.0000000 0.5127435), wk = 0.0038610 k( 101) = ( 0.0000000 0.0000000 0.5360500), wk = 0.0038610 k( 102) = ( 0.0000000 0.0000000 0.5593566), wk = 0.0038610 k( 103) = ( 0.0000000 0.0000000 0.5826631), wk = 0.0038610 k( 104) = ( 0.0000000 0.0000000 0.6059696), wk = 0.0038610 k( 105) = ( 0.0000000 0.0000000 0.6292761), wk = 0.0038610 k( 106) = ( 0.0000000 0.0000000 0.6525827), wk = 0.0038610 k( 107) = ( 0.0000000 0.0000000 0.6758892), wk = 0.0038610 k( 108) = ( 0.0000000 0.0000000 0.6991957), wk = 0.0038610 k( 109) = ( 0.0000000 0.0000000 0.7225022), wk = 0.0038610 k( 110) = ( 0.0000000 0.0000000 0.7458087), wk = 0.0038610 k( 111) = ( 0.0000000 0.0000000 0.7691153), wk = 0.0038610 k( 112) = ( 0.0000000 0.0000000 0.7924218), wk = 0.0038610 k( 113) = ( 0.0000000 0.0000000 0.7924218), wk = 0.0038610 k( 114) = ( 0.0000000 0.0227273 0.7924218), wk = 0.0038610 k( 115) = ( 0.0000000 0.0454546 0.7924218), wk = 0.0038610 k( 116) = ( 0.0000000 0.0681818 0.7924218), wk = 0.0038610 k( 117) = ( 0.0000000 0.0909091 0.7924218), wk = 0.0038610 k( 118) = ( 0.0000000 0.1136364 0.7924218), wk = 0.0038610 k( 119) = ( 0.0000000 0.1363636 0.7924218), wk = 0.0038610 k( 120) = ( 0.0000000 0.1590909 0.7924218), wk = 0.0038610 k( 121) = ( 0.0000000 0.1818182 0.7924218), wk = 0.0038610 k( 122) = ( 0.0000000 0.2045454 0.7924218), wk = 0.0038610 k( 123) = ( 0.0000000 0.2272727 0.7924218), wk = 0.0038610 k( 124) = ( 0.0000000 0.2500000 0.7924218), wk = 0.0038610 k( 125) = ( 0.0000000 0.2727273 0.7924218), wk = 0.0038610 k( 126) = ( 0.0000000 0.2954545 0.7924218), wk = 0.0038610 k( 127) = ( 0.0000000 0.3181818 0.7924218), wk = 0.0038610 k( 128) = ( 0.0000000 0.3409091 0.7924218), wk = 0.0038610 k( 129) = ( 0.0000000 0.3636364 0.7924218), wk = 0.0038610 k( 130) = ( 0.0000000 0.3863636 0.7924218), wk = 0.0038610 k( 131) = ( 0.0000000 0.4090909 0.7924218), wk = 0.0038610 k( 132) = ( 0.0000000 0.4318182 0.7924218), wk = 0.0038610 k( 133) = ( 0.0000000 0.4545455 0.7924218), wk = 0.0038610 k( 134) = ( 0.0000000 0.4772727 0.7924218), wk = 0.0038610 k( 135) = ( 0.0000000 0.5000000 0.7924218), wk = 0.0038610 k( 136) = ( 0.0000000 0.5000000 0.7924218), wk = 0.0038610 k( 137) = ( 0.0227273 0.5000000 0.7924218), wk = 0.0038610 k( 138) = ( 0.0454546 0.5000000 0.7924218), wk = 0.0038610 k( 139) = ( 0.0681818 0.5000000 0.7924218), wk = 0.0038610 k( 140) = ( 0.0909091 0.5000000 0.7924218), wk = 0.0038610 k( 141) = ( 0.1136364 0.5000000 0.7924218), wk = 0.0038610 k( 142) = ( 0.1363636 0.5000000 0.7924218), wk = 0.0038610 k( 143) = ( 0.1590909 0.5000000 0.7924218), wk = 0.0038610 k( 144) = ( 0.1818182 0.5000000 0.7924218), wk = 0.0038610 k( 145) = ( 0.2045454 0.5000000 0.7924218), wk = 0.0038610 k( 146) = ( 0.2272727 0.5000000 0.7924218), wk = 0.0038610 k( 147) = ( 0.2500000 0.5000000 0.7924218), wk = 0.0038610 k( 148) = ( 0.2727273 0.5000000 0.7924218), wk = 0.0038610 k( 149) = ( 0.2954545 0.5000000 0.7924218), wk = 0.0038610 k( 150) = ( 0.3181818 0.5000000 0.7924218), wk = 0.0038610 k( 151) = ( 0.3409091 0.5000000 0.7924218), wk = 0.0038610 k( 152) = ( 0.3636364 0.5000000 0.7924218), wk = 0.0038610 k( 153) = ( 0.3863636 0.5000000 0.7924218), wk = 0.0038610 k( 154) = ( 0.4090909 0.5000000 0.7924218), wk = 0.0038610 k( 155) = ( 0.4318182 0.5000000 0.7924218), wk = 0.0038610 k( 156) = ( 0.4545455 0.5000000 0.7924218), wk = 0.0038610 k( 157) = ( 0.4772727 0.5000000 0.7924218), wk = 0.0038610 k( 158) = ( 0.5000000 0.5000000 0.7924218), wk = 0.0038610 k( 159) = ( 0.5000000 0.5000000 0.7924218), wk = 0.0038610 k( 160) = ( 0.4833333 0.4833333 0.7924218), wk = 0.0038610 k( 161) = ( 0.4666667 0.4666667 0.7924218), wk = 0.0038610 k( 162) = ( 0.4500000 0.4500000 0.7924218), wk = 0.0038610 k( 163) = ( 0.4333333 0.4333333 0.7924218), wk = 0.0038610 k( 164) = ( 0.4166667 0.4166667 0.7924218), wk = 0.0038610 k( 165) = ( 0.4000000 0.4000000 0.7924218), wk = 0.0038610 k( 166) = ( 0.3833333 0.3833333 0.7924218), wk = 0.0038610 k( 167) = ( 0.3666667 0.3666667 0.7924218), wk = 0.0038610 k( 168) = ( 0.3500000 0.3500000 0.7924218), wk = 0.0038610 k( 169) = ( 0.3333333 0.3333333 0.7924218), wk = 0.0038610 k( 170) = ( 0.3166667 0.3166667 0.7924218), wk = 0.0038610 k( 171) = ( 0.3000000 0.3000000 0.7924218), wk = 0.0038610 k( 172) = ( 0.2833333 0.2833333 0.7924218), wk = 0.0038610 k( 173) = ( 0.2666667 0.2666667 0.7924218), wk = 0.0038610 k( 174) = ( 0.2500000 0.2500000 0.7924218), wk = 0.0038610 k( 175) = ( 0.2333333 0.2333333 0.7924218), wk = 0.0038610 k( 176) = ( 0.2166667 0.2166667 0.7924218), wk = 0.0038610 k( 177) = ( 0.2000000 0.2000000 0.7924218), wk = 0.0038610 k( 178) = ( 0.1833333 0.1833333 0.7924218), wk = 0.0038610 k( 179) = ( 0.1666667 0.1666667 0.7924218), wk = 0.0038610 k( 180) = ( 0.1500000 0.1500000 0.7924218), wk = 0.0038610 k( 181) = ( 0.1333333 0.1333333 0.7924218), wk = 0.0038610 k( 182) = ( 0.1166667 0.1166667 0.7924218), wk = 0.0038610 k( 183) = ( 0.1000000 0.1000000 0.7924218), wk = 0.0038610 k( 184) = ( 0.0833333 0.0833333 0.7924218), wk = 0.0038610 k( 185) = ( 0.0666667 0.0666667 0.7924218), wk = 0.0038610 k( 186) = ( 0.0500000 0.0500000 0.7924218), wk = 0.0038610 k( 187) = ( 0.0333333 0.0333333 0.7924218), wk = 0.0038610 k( 188) = ( 0.0166667 0.0166667 0.7924218), wk = 0.0038610 k( 189) = ( 0.0000000 0.0000000 0.7924218), wk = 0.0038610 k( 190) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038610 k( 191) = ( 0.0000000 0.5000000 0.0233065), wk = 0.0038610 k( 192) = ( 0.0000000 0.5000000 0.0466130), wk = 0.0038610 k( 193) = ( 0.0000000 0.5000000 0.0699196), wk = 0.0038610 k( 194) = ( 0.0000000 0.5000000 0.0932261), wk = 0.0038610 k( 195) = ( 0.0000000 0.5000000 0.1165326), wk = 0.0038610 k( 196) = ( 0.0000000 0.5000000 0.1398391), wk = 0.0038610 k( 197) = ( 0.0000000 0.5000000 0.1631457), wk = 0.0038610 k( 198) = ( 0.0000000 0.5000000 0.1864522), wk = 0.0038610 k( 199) = ( 0.0000000 0.5000000 0.2097587), wk = 0.0038610 k( 200) = ( 0.0000000 0.5000000 0.2330652), wk = 0.0038610 k( 201) = ( 0.0000000 0.5000000 0.2563718), wk = 0.0038610 k( 202) = ( 0.0000000 0.5000000 0.2796783), wk = 0.0038610 k( 203) = ( 0.0000000 0.5000000 0.3029848), wk = 0.0038610 k( 204) = ( 0.0000000 0.5000000 0.3262913), wk = 0.0038610 k( 205) = ( 0.0000000 0.5000000 0.3495979), wk = 0.0038610 k( 206) = ( 0.0000000 0.5000000 0.3729044), wk = 0.0038610 k( 207) = ( 0.0000000 0.5000000 0.3962109), wk = 0.0038610 k( 208) = ( 0.0000000 0.5000000 0.4195174), wk = 0.0038610 k( 209) = ( 0.0000000 0.5000000 0.4428239), wk = 0.0038610 k( 210) = ( 0.0000000 0.5000000 0.4661305), wk = 0.0038610 k( 211) = ( 0.0000000 0.5000000 0.4894370), wk = 0.0038610 k( 212) = ( 0.0000000 0.5000000 0.5127435), wk = 0.0038610 k( 213) = ( 0.0000000 0.5000000 0.5360500), wk = 0.0038610 k( 214) = ( 0.0000000 0.5000000 0.5593566), wk = 0.0038610 k( 215) = ( 0.0000000 0.5000000 0.5826631), wk = 0.0038610 k( 216) = ( 0.0000000 0.5000000 0.6059696), wk = 0.0038610 k( 217) = ( 0.0000000 0.5000000 0.6292761), wk = 0.0038610 k( 218) = ( 0.0000000 0.5000000 0.6525827), wk = 0.0038610 k( 219) = ( 0.0000000 0.5000000 0.6758892), wk = 0.0038610 k( 220) = ( 0.0000000 0.5000000 0.6991957), wk = 0.0038610 k( 221) = ( 0.0000000 0.5000000 0.7225022), wk = 0.0038610 k( 222) = ( 0.0000000 0.5000000 0.7458087), wk = 0.0038610 k( 223) = ( 0.0000000 0.5000000 0.7691153), wk = 0.0038610 k( 224) = ( 0.0000000 0.5000000 0.7924218), wk = 0.0038610 k( 225) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038610 k( 226) = ( 0.5000000 0.5000000 0.0233065), wk = 0.0038610 k( 227) = ( 0.5000000 0.5000000 0.0466130), wk = 0.0038610 k( 228) = ( 0.5000000 0.5000000 0.0699196), wk = 0.0038610 k( 229) = ( 0.5000000 0.5000000 0.0932261), wk = 0.0038610 k( 230) = ( 0.5000000 0.5000000 0.1165326), wk = 0.0038610 k( 231) = ( 0.5000000 0.5000000 0.1398391), wk = 0.0038610 k( 232) = ( 0.5000000 0.5000000 0.1631457), wk = 0.0038610 k( 233) = ( 0.5000000 0.5000000 0.1864522), wk = 0.0038610 k( 234) = ( 0.5000000 0.5000000 0.2097587), wk = 0.0038610 k( 235) = ( 0.5000000 0.5000000 0.2330652), wk = 0.0038610 k( 236) = ( 0.5000000 0.5000000 0.2563718), wk = 0.0038610 k( 237) = ( 0.5000000 0.5000000 0.2796783), wk = 0.0038610 k( 238) = ( 0.5000000 0.5000000 0.3029848), wk = 0.0038610 k( 239) = ( 0.5000000 0.5000000 0.3262913), wk = 0.0038610 k( 240) = ( 0.5000000 0.5000000 0.3495979), wk = 0.0038610 k( 241) = ( 0.5000000 0.5000000 0.3729044), wk = 0.0038610 k( 242) = ( 0.5000000 0.5000000 0.3962109), wk = 0.0038610 k( 243) = ( 0.5000000 0.5000000 0.4195174), wk = 0.0038610 k( 244) = ( 0.5000000 0.5000000 0.4428239), wk = 0.0038610 k( 245) = ( 0.5000000 0.5000000 0.4661305), wk = 0.0038610 k( 246) = ( 0.5000000 0.5000000 0.4894370), wk = 0.0038610 k( 247) = ( 0.5000000 0.5000000 0.5127435), wk = 0.0038610 k( 248) = ( 0.5000000 0.5000000 0.5360500), wk = 0.0038610 k( 249) = ( 0.5000000 0.5000000 0.5593566), wk = 0.0038610 k( 250) = ( 0.5000000 0.5000000 0.5826631), wk = 0.0038610 k( 251) = ( 0.5000000 0.5000000 0.6059696), wk = 0.0038610 k( 252) = ( 0.5000000 0.5000000 0.6292761), wk = 0.0038610 k( 253) = ( 0.5000000 0.5000000 0.6525827), wk = 0.0038610 k( 254) = ( 0.5000000 0.5000000 0.6758892), wk = 0.0038610 k( 255) = ( 0.5000000 0.5000000 0.6991957), wk = 0.0038610 k( 256) = ( 0.5000000 0.5000000 0.7225022), wk = 0.0038610 k( 257) = ( 0.5000000 0.5000000 0.7458087), wk = 0.0038610 k( 258) = ( 0.5000000 0.5000000 0.7691153), wk = 0.0038610 k( 259) = ( 0.5000000 0.5000000 0.7924218), wk = 0.0038610 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 2) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0038610 k( 3) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0038610 k( 4) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0038610 k( 5) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0038610 k( 6) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0038610 k( 7) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0038610 k( 8) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0038610 k( 9) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0038610 k( 10) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0038610 k( 11) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0038610 k( 12) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0038610 k( 13) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0038610 k( 14) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0038610 k( 15) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0038610 k( 16) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0038610 k( 17) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0038610 k( 18) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0038610 k( 19) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0038610 k( 20) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0038610 k( 21) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0038610 k( 22) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0038610 k( 23) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038610 k( 24) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038610 k( 25) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0038610 k( 26) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0038610 k( 27) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0038610 k( 28) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0038610 k( 29) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0038610 k( 30) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0038610 k( 31) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0038610 k( 32) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0038610 k( 33) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0038610 k( 34) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0038610 k( 35) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0038610 k( 36) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0038610 k( 37) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0038610 k( 38) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0038610 k( 39) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0038610 k( 40) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0038610 k( 41) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0038610 k( 42) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0038610 k( 43) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0038610 k( 44) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0038610 k( 45) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0038610 k( 46) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038610 k( 47) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038610 k( 48) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0038610 k( 49) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0038610 k( 50) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0038610 k( 51) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0038610 k( 52) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0038610 k( 53) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0038610 k( 54) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0038610 k( 55) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0038610 k( 56) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0038610 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038610 k( 58) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0038610 k( 59) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0038610 k( 60) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0038610 k( 61) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0038610 k( 62) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0038610 k( 63) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0038610 k( 64) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0038610 k( 65) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0038610 k( 66) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0038610 k( 67) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038610 k( 68) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0038610 k( 69) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0038610 k( 70) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0038610 k( 71) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0038610 k( 72) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0038610 k( 73) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0038610 k( 74) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0038610 k( 75) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0038610 k( 76) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0038610 k( 77) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 78) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038610 k( 79) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0038610 k( 80) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0038610 k( 81) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0038610 k( 82) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0038610 k( 83) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0038610 k( 84) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0038610 k( 85) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0038610 k( 86) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0038610 k( 87) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0038610 k( 88) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0038610 k( 89) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0038610 k( 90) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0038610 k( 91) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0038610 k( 92) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0038610 k( 93) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0038610 k( 94) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0038610 k( 95) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038610 k( 96) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0038610 k( 97) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0038610 k( 98) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0038610 k( 99) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0038610 k( 100) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0038610 k( 101) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0038610 k( 102) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0038610 k( 103) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0038610 k( 104) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0038610 k( 105) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0038610 k( 106) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0038610 k( 107) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0038610 k( 108) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0038610 k( 109) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0038610 k( 110) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0038610 k( 111) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0038610 k( 112) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038610 k( 113) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038610 k( 114) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0038610 k( 115) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0038610 k( 116) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0038610 k( 117) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0038610 k( 118) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0038610 k( 119) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0038610 k( 120) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0038610 k( 121) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0038610 k( 122) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0038610 k( 123) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0038610 k( 124) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0038610 k( 125) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0038610 k( 126) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0038610 k( 127) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0038610 k( 128) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0038610 k( 129) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0038610 k( 130) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0038610 k( 131) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0038610 k( 132) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0038610 k( 133) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0038610 k( 134) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0038610 k( 135) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038610 k( 136) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038610 k( 137) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0038610 k( 138) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0038610 k( 139) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0038610 k( 140) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0038610 k( 141) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0038610 k( 142) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0038610 k( 143) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0038610 k( 144) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0038610 k( 145) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0038610 k( 146) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0038610 k( 147) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0038610 k( 148) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0038610 k( 149) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0038610 k( 150) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0038610 k( 151) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0038610 k( 152) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0038610 k( 153) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0038610 k( 154) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0038610 k( 155) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0038610 k( 156) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0038610 k( 157) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0038610 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038610 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038610 k( 160) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0038610 k( 161) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0038610 k( 162) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0038610 k( 163) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0038610 k( 164) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0038610 k( 165) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0038610 k( 166) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0038610 k( 167) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0038610 k( 168) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0038610 k( 169) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038610 k( 170) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0038610 k( 171) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0038610 k( 172) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0038610 k( 173) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0038610 k( 174) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0038610 k( 175) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0038610 k( 176) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0038610 k( 177) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0038610 k( 178) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0038610 k( 179) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038610 k( 180) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0038610 k( 181) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0038610 k( 182) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0038610 k( 183) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0038610 k( 184) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0038610 k( 185) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0038610 k( 186) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0038610 k( 187) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0038610 k( 188) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0038610 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038610 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038610 k( 191) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0038610 k( 192) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0038610 k( 193) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0038610 k( 194) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0038610 k( 195) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0038610 k( 196) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0038610 k( 197) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0038610 k( 198) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0038610 k( 199) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0038610 k( 200) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0038610 k( 201) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0038610 k( 202) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0038610 k( 203) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0038610 k( 204) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0038610 k( 205) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0038610 k( 206) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0038610 k( 207) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0038610 k( 208) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0038610 k( 209) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0038610 k( 210) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0038610 k( 211) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0038610 k( 212) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0038610 k( 213) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0038610 k( 214) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0038610 k( 215) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0038610 k( 216) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0038610 k( 217) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0038610 k( 218) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0038610 k( 219) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0038610 k( 220) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0038610 k( 221) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0038610 k( 222) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0038610 k( 223) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0038610 k( 224) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038610 k( 225) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038610 k( 226) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0038610 k( 227) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0038610 k( 228) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0038610 k( 229) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0038610 k( 230) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0038610 k( 231) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0038610 k( 232) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0038610 k( 233) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0038610 k( 234) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0038610 k( 235) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0038610 k( 236) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0038610 k( 237) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0038610 k( 238) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0038610 k( 239) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0038610 k( 240) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0038610 k( 241) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0038610 k( 242) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0038610 k( 243) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0038610 k( 244) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0038610 k( 245) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0038610 k( 246) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0038610 k( 247) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0038610 k( 248) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0038610 k( 249) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0038610 k( 250) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0038610 k( 251) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0038610 k( 252) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0038610 k( 253) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0038610 k( 254) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0038610 k( 255) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0038610 k( 256) = ( 0.5000000 0.5000000 0.4558824), wk = 0.0038610 k( 257) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0038610 k( 258) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0038610 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038610 Dense grid: 373201 G-vectors FFT dimensions: ( 108, 108, 72) Smooth grid: 167887 G-vectors FFT dimensions: ( 80, 80, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.69 Mb ( 596, 76) NL pseudopotentials 1.34 Mb ( 298, 294) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.04 Mb ( 5184) G-vector shells 0.02 Mb ( 2408) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.76 Mb ( 596, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.68 Mb ( 294, 2, 76) The potential is recalculated from file : ./Cs2PdCl4.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 total cpu time spent up to now is 7.4 secs Computing kpt #: 3 total cpu time spent up to now is 9.6 secs Computing kpt #: 4 total cpu time spent up to now is 11.7 secs Computing kpt #: 5 total cpu time spent up to now is 13.8 secs Computing kpt #: 6 total cpu time spent up to now is 16.0 secs Computing kpt #: 7 total cpu time spent up to now is 18.1 secs Computing kpt #: 8 total cpu time spent up to now is 20.3 secs Computing kpt #: 9 total cpu time spent up to now is 22.5 secs Computing kpt #: 10 total cpu time spent up to now is 24.6 secs Computing kpt #: 11 total cpu time spent up to now is 26.8 secs Computing kpt #: 12 total cpu time spent up to now is 29.0 secs Computing kpt #: 13 total cpu time spent up to now is 31.1 secs Computing kpt #: 14 total cpu time spent up to now is 32.9 secs Computing kpt #: 15 total cpu time spent up to now is 34.8 secs Computing kpt #: 16 total cpu time spent up to now is 36.6 secs Computing kpt #: 17 total cpu time spent up to now is 38.5 secs Computing kpt #: 18 total cpu time spent up to now is 40.6 secs Computing kpt #: 19 total cpu time spent up to now is 42.8 secs Computing kpt #: 20 total cpu time spent up to now is 45.0 secs Computing kpt #: 21 total cpu time spent up to now is 47.2 secs Computing kpt #: 22 total cpu time spent up to now is 49.8 secs Computing kpt #: 23 total cpu time spent up to now is 52.4 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 57.0 secs Computing kpt #: 26 total cpu time spent up to now is 59.3 secs Computing kpt #: 27 total cpu time spent up to now is 61.6 secs Computing kpt #: 28 total cpu time spent up to now is 64.3 secs Computing kpt #: 29 total cpu time spent up to now is 67.1 secs Computing kpt #: 30 total cpu time spent up to now is 69.3 secs Computing kpt #: 31 total cpu time spent up to now is 71.2 secs Computing kpt #: 32 total cpu time spent up to now is 73.1 secs Computing kpt #: 33 total cpu time spent up to now is 75.0 secs Computing kpt #: 34 total cpu time spent up to now is 76.9 secs Computing kpt #: 35 total cpu time spent up to now is 78.8 secs Computing kpt #: 36 total cpu time spent up to now is 80.6 secs Computing kpt #: 37 total cpu time spent up to now is 82.6 secs Computing kpt #: 38 total cpu time spent up to now is 84.5 secs Computing kpt #: 39 total cpu time spent up to now is 86.7 secs Computing kpt #: 40 total cpu time spent up to now is 88.9 secs Computing kpt #: 41 total cpu time spent up to now is 91.1 secs Computing kpt #: 42 total cpu time spent up to now is 93.2 secs Computing kpt #: 43 total cpu time spent up to now is 95.4 secs Computing kpt #: 44 total cpu time spent up to now is 97.8 secs Computing kpt #: 45 total cpu time spent up to now is 100.7 secs Computing kpt #: 46 total cpu time spent up to now is 103.1 secs Computing kpt #: 47 total cpu time spent up to now is 105.3 secs Computing kpt #: 48 total cpu time spent up to now is 107.8 secs Computing kpt #: 49 total cpu time spent up to now is 110.4 secs Computing kpt #: 50 total cpu time spent up to now is 112.6 secs Computing kpt #: 51 total cpu time spent up to now is 114.8 secs Computing kpt #: 52 total cpu time spent up to now is 117.1 secs Computing kpt #: 53 total cpu time spent up to now is 119.3 secs Computing kpt #: 54 total cpu time spent up to now is 121.5 secs Computing kpt #: 55 total cpu time spent up to now is 123.7 secs Computing kpt #: 56 total cpu time spent up to now is 125.9 secs Computing kpt #: 57 total cpu time spent up to now is 128.1 secs Computing kpt #: 58 total cpu time spent up to now is 130.0 secs Computing kpt #: 59 total cpu time spent up to now is 131.9 secs Computing kpt #: 60 total cpu time spent up to now is 133.8 secs Computing kpt #: 61 total cpu time spent up to now is 135.9 secs Computing kpt #: 62 total cpu time spent up to now is 138.5 secs Computing kpt #: 63 total cpu time spent up to now is 140.5 secs Computing kpt #: 64 total cpu time spent up to now is 142.3 secs Computing kpt #: 65 total cpu time spent up to now is 144.2 secs Computing kpt #: 66 total cpu time spent up to now is 146.3 secs Computing kpt #: 67 total cpu time spent up to now is 148.5 secs Computing kpt #: 68 total cpu time spent up to now is 150.6 secs Computing kpt #: 69 total cpu time spent up to now is 152.9 secs Computing kpt #: 70 total cpu time spent up to now is 155.2 secs Computing kpt #: 71 total cpu time spent up to now is 157.4 secs Computing kpt #: 72 total cpu time spent up to now is 159.6 secs Computing kpt #: 73 total cpu time spent up to now is 161.8 secs Computing kpt #: 74 total cpu time spent up to now is 163.9 secs Computing kpt #: 75 total cpu time spent up to now is 166.0 secs Computing kpt #: 76 total cpu time spent up to now is 168.1 secs Computing kpt #: 77 total cpu time spent up to now is 170.3 secs Computing kpt #: 78 total cpu time spent up to now is 172.4 secs Computing kpt #: 79 total cpu time spent up to now is 174.5 secs Computing kpt #: 80 total cpu time spent up to now is 176.6 secs Computing kpt #: 81 total cpu time spent up to now is 178.7 secs Computing kpt #: 82 total cpu time spent up to now is 180.8 secs Computing kpt #: 83 total cpu time spent up to now is 183.0 secs Computing kpt #: 84 total cpu time spent up to now is 185.1 secs Computing kpt #: 85 total cpu time spent up to now is 187.3 secs Computing kpt #: 86 total cpu time spent up to now is 189.5 secs Computing kpt #: 87 total cpu time spent up to now is 191.8 secs Computing kpt #: 88 total cpu time spent up to now is 194.1 secs Computing kpt #: 89 total cpu time spent up to now is 196.4 secs Computing kpt #: 90 total cpu time spent up to now is 199.3 secs Computing kpt #: 91 total cpu time spent up to now is 204.3 secs Computing kpt #: 92 total cpu time spent up to now is 208.7 secs Computing kpt #: 93 total cpu time spent up to now is 212.3 secs Computing kpt #: 94 total cpu time spent up to now is 214.8 secs Computing kpt #: 95 total cpu time spent up to now is 217.6 secs Computing kpt #: 96 total cpu time spent up to now is 221.5 secs Computing kpt #: 97 total cpu time spent up to now is 223.9 secs Computing kpt #: 98 total cpu time spent up to now is 226.3 secs Computing kpt #: 99 total cpu time spent up to now is 228.7 secs Computing kpt #: 100 total cpu time spent up to now is 231.1 secs Computing kpt #: 101 total cpu time spent up to now is 233.8 secs Computing kpt #: 102 total cpu time spent up to now is 236.2 secs Computing kpt #: 103 total cpu time spent up to now is 238.0 secs Computing kpt #: 104 total cpu time spent up to now is 239.9 secs Computing kpt #: 105 total cpu time spent up to now is 241.6 secs Computing kpt #: 106 total cpu time spent up to now is 243.4 secs Computing kpt #: 107 total cpu time spent up to now is 245.2 secs Computing kpt #: 108 total cpu time spent up to now is 246.9 secs Computing kpt #: 109 total cpu time spent up to now is 248.6 secs Computing kpt #: 110 total cpu time spent up to now is 250.4 secs Computing kpt #: 111 total cpu time spent up to now is 252.1 secs Computing kpt #: 112 total cpu time spent up to now is 253.8 secs Computing kpt #: 113 total cpu time spent up to now is 255.5 secs Computing kpt #: 114 total cpu time spent up to now is 257.2 secs Computing kpt #: 115 total cpu time spent up to now is 258.9 secs Computing kpt #: 116 total cpu time spent up to now is 261.7 secs Computing kpt #: 117 total cpu time spent up to now is 263.4 secs Computing kpt #: 118 total cpu time spent up to now is 265.1 secs Computing kpt #: 119 total cpu time spent up to now is 266.8 secs Computing kpt #: 120 total cpu time spent up to now is 268.6 secs Computing kpt #: 121 total cpu time spent up to now is 270.4 secs Computing kpt #: 122 total cpu time spent up to now is 272.4 secs Computing kpt #: 123 total cpu time spent up to now is 275.0 secs Computing kpt #: 124 total cpu time spent up to now is 276.8 secs Computing kpt #: 125 total cpu time spent up to now is 278.7 secs Computing kpt #: 126 total cpu time spent up to now is 280.5 secs Computing kpt #: 127 total cpu time spent up to now is 282.5 secs Computing kpt #: 128 total cpu time spent up to now is 284.7 secs Computing kpt #: 129 total cpu time spent up to now is 287.0 secs Computing kpt #: 130 total cpu time spent up to now is 289.4 secs Computing kpt #: 131 total cpu time spent up to now is 291.6 secs Computing kpt #: 132 total cpu time spent up to now is 293.9 secs Computing kpt #: 133 total cpu time spent up to now is 296.3 secs Computing kpt #: 134 total cpu time spent up to now is 298.5 secs Computing kpt #: 135 total cpu time spent up to now is 300.8 secs Computing kpt #: 136 total cpu time spent up to now is 303.1 secs Computing kpt #: 137 total cpu time spent up to now is 305.5 secs Computing kpt #: 138 total cpu time spent up to now is 307.8 secs Computing kpt #: 139 total cpu time spent up to now is 310.2 secs Computing kpt #: 140 total cpu time spent up to now is 312.5 secs Computing kpt #: 141 total cpu time spent up to now is 315.0 secs Computing kpt #: 142 total cpu time spent up to now is 317.3 secs Computing kpt #: 143 total cpu time spent up to now is 319.5 secs Computing kpt #: 144 total cpu time spent up to now is 321.9 secs Computing kpt #: 145 total cpu time spent up to now is 324.2 secs Computing kpt #: 146 total cpu time spent up to now is 326.4 secs Computing kpt #: 147 total cpu time spent up to now is 328.7 secs Computing kpt #: 148 total cpu time spent up to now is 331.6 secs Computing kpt #: 149 total cpu time spent up to now is 334.3 secs Computing kpt #: 150 total cpu time spent up to now is 336.5 secs Computing kpt #: 151 total cpu time spent up to now is 338.6 secs Computing kpt #: 152 total cpu time spent up to now is 340.7 secs Computing kpt #: 153 total cpu time spent up to now is 342.8 secs Computing kpt #: 154 total cpu time spent up to now is 345.3 secs Computing kpt #: 155 total cpu time spent up to now is 348.3 secs Computing kpt #: 156 total cpu time spent up to now is 351.2 secs Computing kpt #: 157 total cpu time spent up to now is 353.4 secs Computing kpt #: 158 total cpu time spent up to now is 355.8 secs Computing kpt #: 159 total cpu time spent up to now is 358.0 secs Computing kpt #: 160 total cpu time spent up to now is 360.3 secs Computing kpt #: 161 total cpu time spent up to now is 362.6 secs Computing kpt #: 162 total cpu time spent up to now is 365.0 secs Computing kpt #: 163 total cpu time spent up to now is 367.1 secs Computing kpt #: 164 total cpu time spent up to now is 369.3 secs Computing kpt #: 165 total cpu time spent up to now is 371.9 secs Computing kpt #: 166 total cpu time spent up to now is 374.7 secs Computing kpt #: 167 total cpu time spent up to now is 376.9 secs Computing kpt #: 168 total cpu time spent up to now is 379.1 secs Computing kpt #: 169 total cpu time spent up to now is 381.3 secs Computing kpt #: 170 total cpu time spent up to now is 383.5 secs Computing kpt #: 171 total cpu time spent up to now is 385.8 secs Computing kpt #: 172 total cpu time spent up to now is 388.2 secs Computing kpt #: 173 total cpu time spent up to now is 390.7 secs Computing kpt #: 174 total cpu time spent up to now is 393.1 secs Computing kpt #: 175 total cpu time spent up to now is 395.5 secs Computing kpt #: 176 total cpu time spent up to now is 397.6 secs Computing kpt #: 177 total cpu time spent up to now is 399.8 secs Computing kpt #: 178 total cpu time spent up to now is 401.6 secs Computing kpt #: 179 total cpu time spent up to now is 403.4 secs Computing kpt #: 180 total cpu time spent up to now is 405.2 secs Computing kpt #: 181 total cpu time spent up to now is 407.0 secs Computing kpt #: 182 total cpu time spent up to now is 408.8 secs Computing kpt #: 183 total cpu time spent up to now is 410.6 secs Computing kpt #: 184 total cpu time spent up to now is 412.3 secs Computing kpt #: 185 total cpu time spent up to now is 413.9 secs Computing kpt #: 186 total cpu time spent up to now is 415.7 secs Computing kpt #: 187 total cpu time spent up to now is 417.4 secs Computing kpt #: 188 total cpu time spent up to now is 419.3 secs Computing kpt #: 189 total cpu time spent up to now is 421.8 secs Computing kpt #: 190 total cpu time spent up to now is 424.3 secs Computing kpt #: 191 total cpu time spent up to now is 426.6 secs Computing kpt #: 192 total cpu time spent up to now is 429.0 secs Computing kpt #: 193 total cpu time spent up to now is 431.4 secs Computing kpt #: 194 total cpu time spent up to now is 433.8 secs Computing kpt #: 195 total cpu time spent up to now is 436.2 secs Computing kpt #: 196 total cpu time spent up to now is 438.7 secs Computing kpt #: 197 total cpu time spent up to now is 441.8 secs Computing kpt #: 198 total cpu time spent up to now is 444.2 secs Computing kpt #: 199 total cpu time spent up to now is 446.6 secs Computing kpt #: 200 total cpu time spent up to now is 449.4 secs Computing kpt #: 201 total cpu time spent up to now is 451.6 secs Computing kpt #: 202 total cpu time spent up to now is 453.9 secs Computing kpt #: 203 total cpu time spent up to now is 456.2 secs Computing kpt #: 204 total cpu time spent up to now is 458.5 secs Computing kpt #: 205 total cpu time spent up to now is 460.8 secs Computing kpt #: 206 total cpu time spent up to now is 463.2 secs Computing kpt #: 207 total cpu time spent up to now is 465.5 secs Computing kpt #: 208 total cpu time spent up to now is 467.8 secs Computing kpt #: 209 total cpu time spent up to now is 470.2 secs Computing kpt #: 210 total cpu time spent up to now is 472.7 secs Computing kpt #: 211 total cpu time spent up to now is 475.7 secs Computing kpt #: 212 total cpu time spent up to now is 478.6 secs Computing kpt #: 213 total cpu time spent up to now is 481.8 secs Computing kpt #: 214 total cpu time spent up to now is 484.8 secs Computing kpt #: 215 total cpu time spent up to now is 488.0 secs Computing kpt #: 216 total cpu time spent up to now is 492.1 secs Computing kpt #: 217 total cpu time spent up to now is 495.2 secs Computing kpt #: 218 total cpu time spent up to now is 498.1 secs Computing kpt #: 219 total cpu time spent up to now is 500.6 secs Computing kpt #: 220 total cpu time spent up to now is 503.3 secs Computing kpt #: 221 total cpu time spent up to now is 505.7 secs Computing kpt #: 222 total cpu time spent up to now is 508.5 secs Computing kpt #: 223 total cpu time spent up to now is 511.3 secs Computing kpt #: 224 total cpu time spent up to now is 513.6 secs Computing kpt #: 225 total cpu time spent up to now is 515.8 secs Computing kpt #: 226 total cpu time spent up to now is 518.1 secs Computing kpt #: 227 total cpu time spent up to now is 520.4 secs Computing kpt #: 228 total cpu time spent up to now is 522.7 secs Computing kpt #: 229 total cpu time spent up to now is 525.0 secs Computing kpt #: 230 total cpu time spent up to now is 527.2 secs Computing kpt #: 231 total cpu time spent up to now is 529.5 secs Computing kpt #: 232 total cpu time spent up to now is 531.8 secs Computing kpt #: 233 total cpu time spent up to now is 534.2 secs Computing kpt #: 234 total cpu time spent up to now is 536.5 secs Computing kpt #: 235 total cpu time spent up to now is 538.9 secs Computing kpt #: 236 total cpu time spent up to now is 541.3 secs Computing kpt #: 237 total cpu time spent up to now is 543.8 secs Computing kpt #: 238 total cpu time spent up to now is 547.5 secs Computing kpt #: 239 total cpu time spent up to now is 551.1 secs Computing kpt #: 240 total cpu time spent up to now is 554.2 secs Computing kpt #: 241 total cpu time spent up to now is 560.1 secs Computing kpt #: 242 total cpu time spent up to now is 563.8 secs Computing kpt #: 243 total cpu time spent up to now is 566.3 secs Computing kpt #: 244 total cpu time spent up to now is 568.6 secs Computing kpt #: 245 total cpu time spent up to now is 571.0 secs Computing kpt #: 246 total cpu time spent up to now is 573.3 secs Computing kpt #: 247 total cpu time spent up to now is 575.6 secs Computing kpt #: 248 total cpu time spent up to now is 577.9 secs Computing kpt #: 249 total cpu time spent up to now is 580.3 secs Computing kpt #: 250 total cpu time spent up to now is 582.6 secs Computing kpt #: 251 total cpu time spent up to now is 584.9 secs Computing kpt #: 252 total cpu time spent up to now is 587.2 secs Computing kpt #: 253 total cpu time spent up to now is 589.5 secs Computing kpt #: 254 total cpu time spent up to now is 591.8 secs Computing kpt #: 255 total cpu time spent up to now is 594.0 secs Computing kpt #: 256 total cpu time spent up to now is 596.2 secs Computing kpt #: 257 total cpu time spent up to now is 598.3 secs Computing kpt #: 258 total cpu time spent up to now is 600.5 secs Computing kpt #: 259 total cpu time spent up to now is 602.8 secs ethr = 1.56E-08, avg # of iterations = 27.3 total cpu time spent up to now is 602.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 20981 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9247 -15.9247 -15.8961 -15.8961 -11.5858 -11.5858 -11.2277 -11.2277 -11.2172 -11.2172 -11.1321 -11.1321 -4.7012 -4.7012 -4.6135 -4.6135 -3.3644 -3.3644 -3.2586 -3.2586 -3.2102 -3.2102 -3.0954 -3.0954 -1.6387 -1.6387 -1.5765 -1.5765 -1.1519 -1.1519 -0.0730 -0.0730 -0.0311 -0.0311 -0.0269 -0.0269 0.0380 0.0380 0.7823 0.7823 1.0951 1.0951 1.3361 1.3361 1.4335 1.4335 1.6785 1.6785 1.8595 1.8595 1.9731 1.9731 2.3882 2.3882 2.4854 2.4854 4.7147 4.7147 6.5360 6.5360 7.8264 7.8264 8.5975 8.5975 8.6064 8.6064 9.3875 9.3875 k = 0.0000 0.0227-0.0000 ( 20985 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9247 -15.9247 -15.8961 -15.8961 -11.5859 -11.5859 -11.2276 -11.2276 -11.2171 -11.2171 -11.1322 -11.1322 -4.7012 -4.7012 -4.6136 -4.6136 -3.3643 -3.3643 -3.2584 -3.2584 -3.2104 -3.2104 -3.0956 -3.0956 -1.6380 -1.6380 -1.5766 -1.5766 -1.1508 -1.1508 -0.0731 -0.0731 -0.0313 -0.0313 -0.0266 -0.0266 0.0384 0.0384 0.7815 0.7815 1.0947 1.0947 1.3345 1.3345 1.4317 1.4317 1.6782 1.6782 1.8597 1.8597 1.9747 1.9747 2.3884 2.3884 2.4857 2.4857 4.7137 4.7137 6.5388 6.5388 7.8288 7.8288 8.5980 8.5980 8.6077 8.6077 9.3850 9.3850 k = 0.0000 0.0455-0.0000 ( 20985 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9246 -15.9246 -15.8962 -15.8962 -11.5861 -11.5861 -11.2274 -11.2274 -11.2168 -11.2168 -11.1325 -11.1325 -4.7009 -4.7009 -4.6140 -4.6140 -3.3639 -3.3639 -3.2581 -3.2581 -3.2112 -3.2112 -3.0964 -3.0964 -1.6362 -1.6362 -1.5771 -1.5771 -1.1474 -1.1474 -0.0733 -0.0733 -0.0315 -0.0315 -0.0254 -0.0254 0.0395 0.0395 0.7793 0.7793 1.0936 1.0936 1.3292 1.3292 1.4267 1.4267 1.6774 1.6774 1.8606 1.8606 1.9793 1.9793 2.3891 2.3891 2.4864 2.4864 4.7107 4.7107 6.5471 6.5471 7.8360 7.8360 8.5994 8.5994 8.6114 8.6114 9.3776 9.3776 k = 0.0000 0.0682-0.0000 ( 20974 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9244 -15.9244 -15.8964 -15.8964 -11.5863 -11.5863 -11.2270 -11.2270 -11.2165 -11.2165 -11.1331 -11.1331 -4.7004 -4.7004 -4.6147 -4.6147 -3.3634 -3.3634 -3.2575 -3.2575 -3.2124 -3.2124 -3.0977 -3.0977 -1.6331 -1.6331 -1.5778 -1.5778 -1.1418 -1.1418 -0.0742 -0.0742 -0.0315 -0.0315 -0.0237 -0.0237 0.0415 0.0415 0.7755 0.7755 1.0919 1.0919 1.3196 1.3196 1.4197 1.4197 1.6759 1.6759 1.8619 1.8619 1.9865 1.9865 2.3901 2.3901 2.4876 2.4876 4.7059 4.7059 6.5609 6.5609 7.8478 7.8478 8.6015 8.6015 8.6177 8.6177 9.3648 9.3648 k = 0.0000 0.0909-0.0000 ( 20966 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9241 -15.9241 -15.8966 -15.8966 -11.5867 -11.5867 -11.2265 -11.2265 -11.2159 -11.2159 -11.1338 -11.1338 -4.6998 -4.6998 -4.6157 -4.6157 -3.3626 -3.3626 -3.2567 -3.2567 -3.2141 -3.2141 -3.0994 -3.0994 -1.6288 -1.6288 -1.5788 -1.5788 -1.1341 -1.1341 -0.0762 -0.0762 -0.0306 -0.0306 -0.0213 -0.0213 0.0442 0.0442 0.7703 0.7703 1.0894 1.0894 1.3049 1.3049 1.4121 1.4121 1.6740 1.6740 1.8637 1.8637 1.9959 1.9959 2.3916 2.3916 2.4893 2.4893 4.6992 4.6992 6.5801 6.5801 7.8643 7.8643 8.6040 8.6040 8.6264 8.6264 9.3460 9.3460 k = 0.0000 0.1136-0.0000 ( 20966 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9238 -15.9238 -15.8969 -15.8969 -11.5873 -11.5873 -11.2259 -11.2259 -11.2152 -11.2152 -11.1347 -11.1347 -4.6990 -4.6990 -4.6169 -4.6169 -3.3617 -3.3617 -3.2557 -3.2557 -3.2161 -3.2161 -3.1016 -3.1016 -1.6235 -1.6235 -1.5800 -1.5800 -1.1244 -1.1244 -0.0797 -0.0797 -0.0284 -0.0284 -0.0184 -0.0184 0.0478 0.0478 0.7638 0.7638 1.0864 1.0864 1.2847 1.2847 1.4053 1.4053 1.6715 1.6715 1.8660 1.8660 2.0069 2.0069 2.3934 2.3934 2.4914 2.4914 4.6910 4.6910 6.6047 6.6047 7.8853 7.8853 8.6067 8.6067 8.6376 8.6376 9.3205 9.3205 k = 0.0000 0.1364-0.0000 ( 20976 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9234 -15.9234 -15.8973 -15.8973 -11.5878 -11.5878 -11.2251 -11.2251 -11.2144 -11.2144 -11.1359 -11.1359 -4.6981 -4.6981 -4.6183 -4.6183 -3.3605 -3.3605 -3.2546 -3.2546 -3.2184 -3.2184 -3.1042 -3.1042 -1.6172 -1.6172 -1.5815 -1.5815 -1.1127 -1.1127 -0.0850 -0.0850 -0.0248 -0.0248 -0.0151 -0.0151 0.0522 0.0522 0.7559 0.7559 1.0828 1.0828 1.2593 1.2593 1.3997 1.3997 1.6686 1.6686 1.8687 1.8687 2.0188 2.0188 2.3956 2.3956 2.4939 2.4939 4.6813 4.6813 6.6344 6.6344 7.9106 7.9106 8.6087 8.6087 8.6513 8.6513 9.2875 9.2875 k = 0.0000 0.1591-0.0000 ( 20976 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9229 -15.9229 -15.8978 -15.8978 -11.5885 -11.5885 -11.2243 -11.2243 -11.2134 -11.2134 -11.1372 -11.1372 -4.6969 -4.6969 -4.6200 -4.6200 -3.3591 -3.3591 -3.2536 -3.2536 -3.2208 -3.2208 -3.1073 -3.1073 -1.6101 -1.6101 -1.5831 -1.5831 -1.0993 -1.0993 -0.0919 -0.0919 -0.0199 -0.0199 -0.0114 -0.0114 0.0576 0.0576 0.7469 0.7469 1.0787 1.0787 1.2296 1.2296 1.3953 1.3953 1.6652 1.6652 1.8717 1.8717 2.0313 2.0313 2.3980 2.3980 2.4966 2.4966 4.6703 4.6703 6.6691 6.6691 7.9400 7.9400 8.6092 8.6092 8.6675 8.6675 9.2469 9.2469 k = 0.0000 0.1818-0.0000 ( 20976 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9224 -15.9224 -15.8983 -15.8983 -11.5892 -11.5892 -11.2234 -11.2234 -11.2122 -11.2122 -11.1387 -11.1387 -4.6956 -4.6956 -4.6219 -4.6219 -3.3574 -3.3574 -3.2528 -3.2528 -3.2232 -3.2232 -3.1107 -3.1107 -1.6023 -1.6023 -1.5848 -1.5848 -1.0844 -1.0844 -0.1002 -0.1002 -0.0139 -0.0139 -0.0074 -0.0074 0.0638 0.0638 0.7368 0.7368 1.0741 1.0741 1.1967 1.1967 1.3919 1.3919 1.6614 1.6614 1.8750 1.8750 2.0439 2.0439 2.4006 2.4006 2.4996 2.4996 4.6584 4.6584 6.7087 6.7087 7.9733 7.9733 8.6067 8.6067 8.6861 8.6861 9.1995 9.1995 k = 0.0000 0.2045-0.0000 ( 20994 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9218 -15.9218 -15.8988 -15.8988 -11.5900 -11.5900 -11.2224 -11.2224 -11.2109 -11.2109 -11.1404 -11.1404 -4.6942 -4.6942 -4.6240 -4.6240 -3.3556 -3.3556 -3.2524 -3.2524 -3.2251 -3.2251 -3.1145 -3.1145 -1.5941 -1.5941 -1.5864 -1.5864 -1.0681 -1.0681 -0.1095 -0.1095 -0.0075 -0.0075 -0.0028 -0.0028 0.0708 0.0708 0.7258 0.7258 1.0692 1.0692 1.1615 1.1615 1.3891 1.3891 1.6574 1.6574 1.8784 1.8784 2.0563 2.0563 2.4034 2.4034 2.5028 2.5028 4.6457 4.6457 6.7531 6.7531 8.0102 8.0102 8.5992 8.5992 8.7070 8.7070 9.1479 9.1479 k = 0.0000 0.2273-0.0000 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9211 -15.9211 -15.8994 -15.8994 -11.5908 -11.5908 -11.2214 -11.2214 -11.2094 -11.2094 -11.1422 -11.1422 -4.6925 -4.6925 -4.6262 -4.6262 -3.3535 -3.3535 -3.2529 -3.2529 -3.2261 -3.2261 -3.1186 -3.1186 -1.5896 -1.5896 -1.5839 -1.5839 -1.0507 -1.0507 -0.1196 -0.1196 -0.0021 -0.0021 0.0032 0.0032 0.0787 0.0787 0.7141 0.7141 1.0639 1.0639 1.1251 1.1251 1.3868 1.3868 1.6530 1.6530 1.8820 1.8820 2.0682 2.0682 2.4063 2.4063 2.5060 2.5060 4.6326 4.6326 6.8019 6.8019 8.0502 8.0502 8.5838 8.5838 8.7304 8.7304 9.0960 9.0960 k = 0.0000 0.2500-0.0000 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9204 -15.9204 -15.9001 -15.9001 -11.5917 -11.5917 -11.2204 -11.2204 -11.2078 -11.2078 -11.1442 -11.1442 -4.6907 -4.6907 -4.6287 -4.6287 -3.3512 -3.3512 -3.2546 -3.2546 -3.2261 -3.2261 -3.1230 -3.1230 -1.5911 -1.5911 -1.5752 -1.5752 -1.0325 -1.0325 -0.1301 -0.1301 0.0022 0.0022 0.0108 0.0108 0.0872 0.0872 0.7018 0.7018 1.0576 1.0576 1.0891 1.0891 1.3849 1.3849 1.6486 1.6486 1.8856 1.8856 2.0795 2.0795 2.4093 2.4093 2.5094 2.5094 4.6193 4.6193 6.8550 6.8550 8.0929 8.0929 8.5576 8.5576 8.7560 8.7560 9.0487 9.0487 k = 0.0000 0.2727-0.0000 ( 20990 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9196 -15.9196 -15.9009 -15.9009 -11.5925 -11.5925 -11.2194 -11.2194 -11.2061 -11.2061 -11.1463 -11.1463 -4.6888 -4.6888 -4.6313 -4.6313 -3.3487 -3.3487 -3.2573 -3.2573 -3.2249 -3.2249 -3.1276 -3.1276 -1.5930 -1.5930 -1.5660 -1.5660 -1.0139 -1.0139 -0.1409 -0.1409 0.0059 0.0059 0.0189 0.0189 0.0963 0.0963 0.6891 0.6891 1.0431 1.0431 1.0613 1.0613 1.3832 1.3832 1.6440 1.6440 1.8892 1.8892 2.0901 2.0901 2.4122 2.4122 2.5126 2.5126 4.6060 4.6060 6.9123 6.9123 8.1375 8.1375 8.5185 8.5185 8.7839 8.7839 9.0095 9.0095 k = 0.0000 0.2955-0.0000 ( 20990 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9188 -15.9188 -15.9016 -15.9016 -11.5933 -11.5933 -11.2185 -11.2185 -11.2042 -11.2042 -11.1485 -11.1485 -4.6867 -4.6867 -4.6340 -4.6340 -3.3460 -3.3460 -3.2609 -3.2609 -3.2227 -3.2227 -3.1325 -3.1325 -1.5949 -1.5949 -1.5569 -1.5569 -0.9952 -0.9952 -0.1516 -0.1516 0.0093 0.0093 0.0271 0.0271 0.1057 0.1057 0.6764 0.6764 1.0110 1.0110 1.0522 1.0522 1.3818 1.3818 1.6395 1.6395 1.8927 1.8927 2.0998 2.0998 2.4150 2.4150 2.5158 2.5158 4.5931 4.5931 6.9735 6.9735 8.1824 8.1824 8.4672 8.4672 8.8139 8.8139 8.9797 8.9797 k = 0.0000 0.3182-0.0000 ( 20970 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9179 -15.9179 -15.9024 -15.9024 -11.5940 -11.5940 -11.2176 -11.2176 -11.2022 -11.2022 -11.1507 -11.1507 -4.6845 -4.6845 -4.6369 -4.6369 -3.3431 -3.3431 -3.2650 -3.2650 -3.2197 -3.2197 -3.1375 -3.1375 -1.5967 -1.5967 -1.5481 -1.5481 -0.9768 -0.9768 -0.1621 -0.1621 0.0124 0.0124 0.0351 0.0351 0.1153 0.1153 0.6637 0.6637 0.9770 0.9770 1.0467 1.0467 1.3805 1.3805 1.6351 1.6351 1.8961 1.8961 2.1085 2.1085 2.4178 2.4178 2.5188 2.5188 4.5809 4.5809 7.0385 7.0385 8.2228 8.2228 8.4098 8.4098 8.8458 8.8458 8.9576 8.9576 k = 0.0000 0.3409-0.0000 ( 20980 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9170 -15.9170 -15.9033 -15.9033 -11.5947 -11.5947 -11.2168 -11.2168 -11.2002 -11.2002 -11.1530 -11.1530 -4.6822 -4.6822 -4.6398 -4.6398 -3.3400 -3.3400 -3.2695 -3.2695 -3.2163 -3.2163 -3.1427 -3.1427 -1.5984 -1.5984 -1.5397 -1.5397 -0.9591 -0.9591 -0.1720 -0.1720 0.0152 0.0152 0.0427 0.0427 0.1248 0.1248 0.6514 0.6514 0.9446 0.9446 1.0420 1.0420 1.3795 1.3795 1.6309 1.6309 1.8992 1.8992 2.1163 2.1163 2.4203 2.4203 2.5217 2.5217 4.5694 4.5694 7.1071 7.1071 8.2381 8.2381 8.3696 8.3696 8.8788 8.8788 8.9399 8.9399 k = 0.0000 0.3636-0.0000 ( 20990 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9161 -15.9161 -15.9042 -15.9042 -11.5954 -11.5954 -11.2161 -11.2161 -11.1981 -11.1981 -11.1553 -11.1553 -4.6797 -4.6797 -4.6428 -4.6428 -3.3368 -3.3368 -3.2742 -3.2742 -3.2124 -3.2124 -3.1479 -3.1479 -1.5999 -1.5999 -1.5320 -1.5320 -0.9426 -0.9426 -0.1811 -0.1811 0.0177 0.0177 0.0497 0.0497 0.1339 0.1339 0.6399 0.6399 0.9148 0.9148 1.0379 1.0379 1.3785 1.3785 1.6271 1.6271 1.9020 1.9020 2.1231 2.1231 2.4226 2.4226 2.5242 2.5242 4.5590 4.5590 7.1790 7.1790 8.1938 8.1938 8.3837 8.3837 8.9047 8.9047 8.9308 8.9308 k = 0.0000 0.3864-0.0000 ( 21000 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9152 -15.9152 -15.9051 -15.9051 -11.5960 -11.5960 -11.2155 -11.2155 -11.1960 -11.1960 -11.1576 -11.1576 -4.6772 -4.6772 -4.6458 -4.6458 -3.3335 -3.3335 -3.2789 -3.2789 -3.2083 -3.2083 -3.1532 -3.1532 -1.6013 -1.6013 -1.5252 -1.5252 -0.9276 -0.9276 -0.1893 -0.1893 0.0198 0.0198 0.0560 0.0560 0.1424 0.1424 0.6293 0.6293 0.8884 0.8884 1.0342 1.0342 1.3778 1.3778 1.6236 1.6236 1.9045 1.9045 2.1289 2.1289 2.4246 2.4246 2.5264 2.5264 4.5499 4.5499 7.2541 7.2541 8.1170 8.1170 8.4271 8.4271 8.8917 8.8917 8.9583 8.9583 k = 0.0000 0.4091-0.0000 ( 21008 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9142 -15.9142 -15.9061 -15.9061 -11.5965 -11.5965 -11.2150 -11.2150 -11.1940 -11.1940 -11.1597 -11.1597 -4.6746 -4.6746 -4.6488 -4.6488 -3.3301 -3.3301 -3.2835 -3.2835 -3.2039 -3.2039 -3.1585 -3.1585 -1.6024 -1.6024 -1.5193 -1.5193 -0.9146 -0.9146 -0.1963 -0.1963 0.0216 0.0216 0.0613 0.0613 0.1499 0.1499 0.6201 0.6201 0.8659 0.8659 1.0312 1.0312 1.3771 1.3771 1.6207 1.6207 1.9066 1.9066 2.1336 2.1336 2.4263 2.4263 2.5283 2.5283 4.5422 4.5422 7.3321 7.3321 8.0309 8.0309 8.4777 8.4777 8.8644 8.8644 8.9958 8.9958 k = 0.0000 0.4318-0.0000 ( 21002 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9132 -15.9132 -15.9071 -15.9071 -11.5968 -11.5968 -11.2146 -11.2146 -11.1922 -11.1922 -11.1616 -11.1616 -4.6719 -4.6719 -4.6518 -4.6518 -3.3269 -3.3269 -3.2877 -3.2877 -3.1994 -3.1994 -3.1636 -3.1636 -1.6033 -1.6033 -1.5146 -1.5146 -0.9041 -0.9041 -0.2019 -0.2019 0.0230 0.0230 0.0655 0.0655 0.1561 0.1561 0.6125 0.6125 0.8478 0.8478 1.0288 1.0288 1.3766 1.3766 1.6183 1.6183 1.9083 1.9083 2.1373 2.1373 2.4277 2.4277 2.5298 2.5298 4.5360 4.5360 7.4128 7.4128 7.9417 7.9417 8.5301 8.5301 8.8307 8.8307 9.0343 9.0343 k = 0.0000 0.4545-0.0000 ( 21004 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9122 -15.9122 -15.9081 -15.9081 -11.5971 -11.5971 -11.2143 -11.2143 -11.1907 -11.1907 -11.1632 -11.1632 -4.6694 -4.6694 -4.6546 -4.6546 -3.3240 -3.3240 -3.2913 -3.2913 -3.1951 -3.1951 -3.1685 -3.1685 -1.6040 -1.6040 -1.5111 -1.5111 -0.8963 -0.8963 -0.2060 -0.2060 0.0240 0.0240 0.0687 0.0687 0.1608 0.1608 0.6069 0.6069 0.8345 0.8345 1.0270 1.0270 1.3763 1.3763 1.6165 1.6165 1.9095 1.9095 2.1399 2.1399 2.4287 2.4287 2.5309 2.5309 4.5316 4.5316 7.4958 7.4958 7.8518 7.8518 8.5819 8.5819 8.7921 8.7921 9.0713 9.0713 k = 0.0000 0.4773-0.0000 ( 21004 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9112 -15.9112 -15.9090 -15.9090 -11.5973 -11.5973 -11.2141 -11.2141 -11.1898 -11.1898 -11.1642 -11.1642 -4.6672 -4.6672 -4.6569 -4.6569 -3.3218 -3.3218 -3.2939 -3.2939 -3.1915 -3.1915 -3.1724 -3.1724 -1.6044 -1.6044 -1.5090 -1.5090 -0.8915 -0.8915 -0.2085 -0.2085 0.0246 0.0246 0.0706 0.0706 0.1637 0.1637 0.6034 0.6034 0.8265 0.8265 1.0259 1.0259 1.3761 1.3761 1.6155 1.6155 1.9102 1.9102 2.1415 2.1415 2.4293 2.4293 2.5316 2.5316 4.5289 4.5289 7.5800 7.5800 7.7632 7.7632 8.6298 8.6298 8.7520 8.7520 9.1017 9.1017 k = 0.0000 0.5000-0.0000 ( 20984 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9104 -15.9104 -15.9098 -15.9098 -11.5973 -11.5973 -11.2141 -11.2141 -11.1894 -11.1894 -11.1646 -11.1646 -4.6662 -4.6662 -4.6580 -4.6580 -3.3210 -3.3210 -3.2949 -3.2949 -3.1898 -3.1898 -3.1741 -3.1741 -1.6045 -1.6045 -1.5083 -1.5083 -0.8898 -0.8898 -0.2094 -0.2094 0.0249 0.0249 0.0712 0.0712 0.1647 0.1647 0.6022 0.6022 0.8237 0.8237 1.0256 1.0256 1.3760 1.3760 1.6151 1.6151 1.9105 1.9105 2.1420 2.1420 2.4295 2.4295 2.5318 2.5318 4.5280 4.5280 7.6469 7.6469 7.6947 7.6947 8.6570 8.6570 8.7274 8.7274 9.1148 9.1148 k = 0.0000 0.5000-0.0000 ( 20984 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9104 -15.9104 -15.9098 -15.9098 -11.5973 -11.5973 -11.2141 -11.2141 -11.1894 -11.1894 -11.1646 -11.1646 -4.6662 -4.6662 -4.6580 -4.6580 -3.3210 -3.3210 -3.2949 -3.2949 -3.1898 -3.1898 -3.1741 -3.1741 -1.6045 -1.6045 -1.5083 -1.5083 -0.8898 -0.8898 -0.2094 -0.2094 0.0249 0.0249 0.0712 0.0712 0.1647 0.1647 0.6022 0.6022 0.8237 0.8237 1.0256 1.0256 1.3760 1.3760 1.6151 1.6151 1.9105 1.9105 2.1420 2.1420 2.4295 2.4295 2.5318 2.5318 4.5280 4.5280 7.6469 7.6469 7.6947 7.6947 8.6570 8.6570 8.7274 8.7274 9.1148 9.1148 k = 0.0227 0.5000-0.0000 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9104 -15.9104 -15.9098 -15.9098 -11.5974 -11.5974 -11.2140 -11.2140 -11.1894 -11.1894 -11.1646 -11.1646 -4.6665 -4.6665 -4.6577 -4.6577 -3.3219 -3.3219 -3.2941 -3.2941 -3.1900 -3.1900 -3.1739 -3.1739 -1.6047 -1.6047 -1.5077 -1.5077 -0.8889 -0.8889 -0.2087 -0.2087 0.0253 0.0253 0.0706 0.0706 0.1649 0.1649 0.6016 0.6016 0.8237 0.8237 1.0252 1.0252 1.3728 1.3728 1.6149 1.6149 1.9108 1.9108 2.1437 2.1437 2.4297 2.4297 2.5321 2.5321 4.5263 4.5263 7.6490 7.6490 7.6959 7.6959 8.6586 8.6586 8.7268 8.7268 9.1114 9.1114 k = 0.0455 0.5000-0.0000 ( 20990 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9104 -15.9104 -15.9098 -15.9098 -11.5976 -11.5976 -11.2138 -11.2138 -11.1892 -11.1892 -11.1648 -11.1648 -4.6675 -4.6675 -4.6568 -4.6568 -3.3244 -3.3244 -3.2921 -3.2921 -3.1906 -3.1906 -3.1734 -3.1734 -1.6054 -1.6054 -1.5058 -1.5058 -0.8862 -0.8862 -0.2065 -0.2065 0.0267 0.0267 0.0687 0.0687 0.1654 0.1654 0.5997 0.5997 0.8236 0.8236 1.0241 1.0241 1.3632 1.3632 1.6143 1.6143 1.9115 1.9115 2.1485 2.1485 2.4305 2.4305 2.5332 2.5332 4.5214 4.5214 7.6550 7.6550 7.6995 7.6995 8.6632 8.6632 8.7251 8.7251 9.1013 9.1013 k = 0.0682 0.5000-0.0000 ( 21006 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9104 -15.9104 -15.9098 -15.9098 -11.5979 -11.5979 -11.2136 -11.2136 -11.1890 -11.1890 -11.1650 -11.1650 -4.6688 -4.6688 -4.6557 -4.6557 -3.3279 -3.3279 -3.2893 -3.2893 -3.1914 -3.1914 -3.1725 -3.1725 -1.6065 -1.6065 -1.5027 -1.5027 -0.8818 -0.8818 -0.2029 -0.2029 0.0291 0.0291 0.0657 0.0657 0.1663 0.1663 0.5964 0.5964 0.8235 0.8235 1.0223 1.0223 1.3477 1.3477 1.6133 1.6133 1.9128 1.9128 2.1562 2.1562 2.4317 2.4317 2.5350 2.5350 4.5133 4.5133 7.6650 7.6650 7.7055 7.7055 8.6709 8.6709 8.7224 8.7224 9.0852 9.0852 k = 0.0909 0.5000-0.0000 ( 21010 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9104 -15.9104 -15.9098 -15.9098 -11.5984 -11.5984 -11.2132 -11.2132 -11.1886 -11.1886 -11.1654 -11.1654 -4.6703 -4.6703 -4.6545 -4.6545 -3.3319 -3.3319 -3.2861 -3.2861 -3.1925 -3.1925 -3.1715 -3.1715 -1.6079 -1.6079 -1.4984 -1.4984 -0.8756 -0.8756 -0.1980 -0.1980 0.0322 0.0322 0.0617 0.0617 0.1675 0.1675 0.5920 0.5920 0.8234 0.8234 1.0198 1.0198 1.3269 1.3269 1.6120 1.6120 1.9146 1.9146 2.1663 2.1663 2.4334 2.4334 2.5375 2.5375 4.5023 4.5023 7.6786 7.6786 7.7137 7.7137 8.6813 8.6813 8.7184 8.7184 9.0638 9.0638 k = 0.1136 0.5000-0.0000 ( 21028 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9103 -15.9103 -15.9098 -15.9098 -11.5989 -11.5989 -11.2127 -11.2127 -11.1882 -11.1882 -11.1658 -11.1658 -4.6719 -4.6719 -4.6533 -4.6533 -3.3364 -3.3364 -3.2829 -3.2829 -3.1937 -3.1937 -3.1703 -3.1703 -1.6097 -1.6097 -1.4931 -1.4931 -0.8678 -0.8678 -0.1918 -0.1918 0.0359 0.0359 0.0569 0.0569 0.1690 0.1690 0.5863 0.5863 0.8233 0.8233 1.0166 1.0166 1.3015 1.3015 1.6102 1.6102 1.9167 1.9167 2.1782 2.1782 2.4355 2.4355 2.5406 2.5406 4.4886 4.4886 7.6956 7.6956 7.7241 7.7241 8.6942 8.6942 8.7135 8.7135 9.0382 9.0382 k = 0.1364 0.5000-0.0000 ( 21036 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9103 -15.9103 -15.9098 -15.9098 -11.5996 -11.5996 -11.2122 -11.2122 -11.1878 -11.1878 -11.1663 -11.1663 -4.6736 -4.6736 -4.6521 -4.6521 -3.3409 -3.3409 -3.2796 -3.2796 -3.1949 -3.1949 -3.1690 -3.1690 -1.6118 -1.6118 -1.4867 -1.4867 -0.8584 -0.8584 -0.1846 -0.1846 0.0390 0.0390 0.0525 0.0525 0.1709 0.1709 0.5794 0.5794 0.8231 0.8231 1.0129 1.0129 1.2722 1.2722 1.6081 1.6081 1.9193 1.9193 2.1915 2.1915 2.4379 2.4379 2.5442 2.5442 4.4726 4.4726 7.7155 7.7155 7.7366 7.7366 8.7063 8.7063 8.7103 8.7103 9.0094 9.0094 k = 0.1591 0.5000-0.0000 ( 21050 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9103 -15.9103 -15.9098 -15.9098 -11.6003 -11.6003 -11.2115 -11.2115 -11.1872 -11.1872 -11.1669 -11.1669 -4.6752 -4.6752 -4.6509 -4.6509 -3.3456 -3.3456 -3.2765 -3.2765 -3.1962 -3.1962 -3.1677 -3.1677 -1.6142 -1.6142 -1.4795 -1.4795 -0.8475 -0.8475 -0.1763 -0.1763 0.0377 0.0377 0.0525 0.0525 0.1730 0.1730 0.5715 0.5715 0.8229 0.8229 1.0087 1.0087 1.2399 1.2399 1.6057 1.6057 1.9221 1.9221 2.2055 2.2055 2.4407 2.4407 2.5484 2.5484 4.4546 4.4546 7.7379 7.7379 7.7509 7.7509 8.7006 8.7006 8.7257 8.7257 8.9786 8.9786 k = 0.1818 0.5000-0.0000 ( 21044 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9102 -15.9102 -15.9098 -15.9098 -11.6011 -11.6011 -11.2107 -11.2107 -11.1867 -11.1867 -11.1675 -11.1675 -4.6769 -4.6769 -4.6497 -4.6497 -3.3502 -3.3502 -3.2736 -3.2736 -3.1975 -3.1975 -3.1664 -3.1664 -1.6168 -1.6168 -1.4716 -1.4716 -0.8353 -0.8353 -0.1673 -0.1673 0.0314 0.0314 0.0575 0.0575 0.1755 0.1755 0.5626 0.5626 0.8227 0.8227 1.0041 1.0041 1.2053 1.2053 1.6030 1.6030 1.9252 1.9252 2.2198 2.2198 2.4437 2.4437 2.5529 2.5529 4.4351 4.4351 7.7623 7.7623 7.7670 7.7670 8.6938 8.6938 8.7422 8.7422 8.9473 8.9473 k = 0.2045 0.5000-0.0000 ( 21020 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9102 -15.9102 -15.9098 -15.9098 -11.6019 -11.6019 -11.2099 -11.2099 -11.1861 -11.1861 -11.1682 -11.1682 -4.6785 -4.6785 -4.6487 -4.6487 -3.3547 -3.3547 -3.2708 -3.2708 -3.1988 -3.1988 -3.1652 -3.1652 -1.6196 -1.6196 -1.4630 -1.4630 -0.8220 -0.8220 -0.1576 -0.1576 0.0233 0.0233 0.0643 0.0643 0.1782 0.1782 0.5527 0.5527 0.8225 0.8225 0.9992 0.9992 1.1693 1.1693 1.6001 1.6001 1.9285 1.9285 2.2341 2.2341 2.4469 2.4469 2.5578 2.5578 4.4145 4.4145 7.7841 7.7841 7.7884 7.7884 8.6874 8.6874 8.7571 8.7571 8.9178 8.9178 k = 0.2273 0.5000-0.0000 ( 20998 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9101 -15.9101 -15.9098 -15.9098 -11.6028 -11.6028 -11.2090 -11.2090 -11.1856 -11.1856 -11.1690 -11.1690 -4.6801 -4.6801 -4.6477 -4.6477 -3.3592 -3.3592 -3.2682 -3.2682 -3.2000 -3.2000 -3.1639 -3.1639 -1.6224 -1.6224 -1.4540 -1.4540 -0.8077 -0.8077 -0.1475 -0.1475 0.0144 0.0144 0.0719 0.0719 0.1813 0.1813 0.5421 0.5421 0.8222 0.8222 0.9940 0.9940 1.1324 1.1324 1.5969 1.5969 1.9319 1.9319 2.2480 2.2480 2.4503 2.4503 2.5630 2.5630 4.3932 4.3932 7.8029 7.8029 7.8147 7.8147 8.6821 8.6821 8.7663 8.7663 8.8943 8.8943 k = 0.2500 0.5000-0.0000 ( 20994 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9101 -15.9101 -15.9098 -15.9098 -11.6037 -11.6037 -11.2080 -11.2080 -11.1851 -11.1851 -11.1697 -11.1697 -4.6817 -4.6817 -4.6467 -4.6467 -3.3634 -3.3634 -3.2659 -3.2659 -3.2012 -3.2012 -3.1627 -3.1627 -1.6253 -1.6253 -1.4448 -1.4448 -0.7927 -0.7927 -0.1372 -0.1372 0.0051 0.0051 0.0801 0.0801 0.1846 0.1846 0.5308 0.5308 0.8219 0.8219 0.9886 0.9886 1.0954 1.0954 1.5937 1.5937 1.9354 1.9354 2.2612 2.2612 2.4537 2.4537 2.5682 2.5682 4.3717 4.3717 7.8227 7.8227 7.8411 7.8411 8.6788 8.6788 8.7637 8.7637 8.8831 8.8831 k = 0.2727 0.5000-0.0000 ( 21006 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9100 -15.9100 -15.9098 -15.9098 -11.6046 -11.6046 -11.2069 -11.2069 -11.1847 -11.1847 -11.1705 -11.1705 -4.6831 -4.6831 -4.6459 -4.6459 -3.3674 -3.3674 -3.2637 -3.2637 -3.2023 -3.2023 -3.1616 -3.1616 -1.6282 -1.6282 -1.4355 -1.4355 -0.7772 -0.7772 -0.1268 -0.1268 -0.0043 -0.0043 0.0886 0.0886 0.1882 0.1882 0.5190 0.5190 0.8214 0.8214 0.9830 0.9830 1.0592 1.0592 1.5903 1.5903 1.9388 1.9388 2.2737 2.2737 2.4570 2.4570 2.5735 2.5735 4.3504 4.3504 7.8431 7.8431 7.8668 7.8668 8.6782 8.6782 8.7468 8.7468 8.8867 8.8867 k = 0.2955 0.5000-0.0000 ( 20998 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9100 -15.9100 -15.9098 -15.9098 -11.6055 -11.6055 -11.2058 -11.2058 -11.1843 -11.1843 -11.1712 -11.1712 -4.6845 -4.6845 -4.6451 -4.6451 -3.3711 -3.3711 -3.2618 -3.2618 -3.2034 -3.2034 -3.1606 -3.1606 -1.6310 -1.6310 -1.4263 -1.4263 -0.7615 -0.7615 -0.1167 -0.1167 -0.0136 -0.0136 0.0971 0.0971 0.1922 0.1922 0.5069 0.5069 0.8208 0.8208 0.9770 0.9770 1.0248 1.0248 1.5870 1.5870 1.9422 1.9422 2.2851 2.2851 2.4603 2.4603 2.5787 2.5787 4.3297 4.3297 7.8639 7.8639 7.8910 7.8910 8.6809 8.6809 8.7212 8.7212 8.8997 8.8997 k = 0.3182 0.5000-0.0000 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9099 -15.9099 -15.9098 -15.9098 -11.6063 -11.6063 -11.2047 -11.2047 -11.1842 -11.1842 -11.1718 -11.1718 -4.6857 -4.6857 -4.6444 -4.6444 -3.3746 -3.3746 -3.2601 -3.2601 -3.2043 -3.2043 -3.1596 -3.1596 -1.6336 -1.6336 -1.4175 -1.4175 -0.7460 -0.7460 -0.1070 -0.1070 -0.0227 -0.0227 0.1056 0.1056 0.1964 0.1964 0.4947 0.4947 0.8199 0.8199 0.9691 0.9691 0.9943 0.9943 1.5838 1.5838 1.9454 1.9454 2.2955 2.2955 2.4635 2.4635 2.5836 2.5836 4.3101 4.3101 7.8847 7.8847 7.9131 7.9131 8.6863 8.6863 8.6934 8.6934 8.9163 8.9163 k = 0.3409 0.5000-0.0000 ( 20988 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9099 -15.9099 -15.9098 -15.9098 -11.6071 -11.6071 -11.2036 -11.2036 -11.1841 -11.1841 -11.1723 -11.1723 -4.6869 -4.6869 -4.6438 -4.6438 -3.3777 -3.3777 -3.2586 -3.2586 -3.2052 -3.2052 -3.1587 -3.1587 -1.6360 -1.6360 -1.4091 -1.4091 -0.7309 -0.7309 -0.0979 -0.0979 -0.0313 -0.0313 0.1136 0.1136 0.2009 0.2009 0.4825 0.4825 0.8185 0.8185 0.9521 0.9521 0.9760 0.9760 1.5807 1.5807 1.9483 1.9483 2.3048 2.3048 2.4664 2.4664 2.5883 2.5883 4.2919 4.2919 7.9051 7.9051 7.9326 7.9326 8.6625 8.6625 8.6985 8.6985 8.9338 8.9338 k = 0.3636 0.5000-0.0000 ( 20994 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9099 -15.9099 -15.9098 -15.9098 -11.6078 -11.6078 -11.2024 -11.2024 -11.1843 -11.1843 -11.1728 -11.1728 -4.6879 -4.6879 -4.6433 -4.6433 -3.3804 -3.3804 -3.2573 -3.2573 -3.2060 -3.2060 -3.1580 -3.1580 -1.6382 -1.6382 -1.4015 -1.4015 -0.7167 -0.7167 -0.0896 -0.0896 -0.0391 -0.0391 0.1211 0.1211 0.2056 0.2056 0.4708 0.4708 0.8165 0.8165 0.9279 0.9279 0.9687 0.9687 1.5778 1.5778 1.9510 1.9510 2.3129 2.3129 2.4691 2.4691 2.5925 2.5925 4.2754 4.2754 7.9247 7.9247 7.9493 7.9493 8.6347 8.6347 8.7125 8.7125 8.9505 8.9505 k = 0.3864 0.5000-0.0000 ( 20970 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6084 -11.6084 -11.2013 -11.2013 -11.1846 -11.1846 -11.1730 -11.1730 -4.6888 -4.6888 -4.6428 -4.6428 -3.3828 -3.3828 -3.2562 -3.2562 -3.2066 -3.2066 -3.1573 -3.1573 -1.6402 -1.6402 -1.3947 -1.3947 -0.7038 -0.7038 -0.0825 -0.0825 -0.0460 -0.0460 0.1277 0.1277 0.2105 0.2105 0.4598 0.4598 0.8136 0.8136 0.9058 0.9058 0.9641 0.9641 1.5753 1.5753 1.9534 1.9534 2.3198 2.3198 2.4714 2.4714 2.5963 2.5963 4.2609 4.2609 7.9428 7.9428 7.9630 7.9630 8.6091 8.6091 8.7293 8.7293 8.9654 8.9654 k = 0.4091 0.5000-0.0000 ( 20982 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6089 -11.6089 -11.2002 -11.2002 -11.1851 -11.1851 -11.1732 -11.1732 -4.6895 -4.6895 -4.6425 -4.6425 -3.3848 -3.3848 -3.2553 -3.2553 -3.2072 -3.2072 -3.1568 -3.1568 -1.6418 -1.6418 -1.3889 -1.3889 -0.6926 -0.6926 -0.0767 -0.0767 -0.0516 -0.0516 0.1333 0.1333 0.2152 0.2152 0.4499 0.4499 0.8096 0.8096 0.8881 0.8881 0.9606 0.9606 1.5731 1.5731 1.9554 1.9554 2.3254 2.3254 2.4734 2.4734 2.5995 2.5995 4.2487 4.2487 7.9590 7.9590 7.9737 7.9737 8.5867 8.5867 8.7477 8.7477 8.9779 8.9779 k = 0.4318 0.5000-0.0000 ( 21000 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6093 -11.6093 -11.1993 -11.1993 -11.1856 -11.1856 -11.1733 -11.1733 -4.6901 -4.6901 -4.6422 -4.6422 -3.3863 -3.3863 -3.2547 -3.2547 -3.2076 -3.2076 -3.1564 -3.1564 -1.6431 -1.6431 -1.3842 -1.3842 -0.6834 -0.6834 -0.0726 -0.0726 -0.0556 -0.0556 0.1377 0.1377 0.2196 0.2196 0.4415 0.4415 0.8048 0.8048 0.8754 0.8754 0.9579 0.9579 1.5713 1.5713 1.9570 1.9570 2.3298 2.3298 2.4750 2.4750 2.6020 2.6020 4.2390 4.2390 7.9725 7.9725 7.9818 7.9818 8.5683 8.5683 8.7657 8.7657 8.9873 8.9873 k = 0.4545 0.5000-0.0000 ( 20994 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6096 -11.6096 -11.1985 -11.1985 -11.1860 -11.1860 -11.1734 -11.1734 -4.6905 -4.6905 -4.6420 -4.6420 -3.3874 -3.3874 -3.2542 -3.2542 -3.2079 -3.2079 -3.1561 -3.1561 -1.6441 -1.6441 -1.3808 -1.3808 -0.6766 -0.6766 -0.0706 -0.0706 -0.0576 -0.0576 0.1409 0.1409 0.2231 0.2231 0.4351 0.4351 0.8000 0.8000 0.8673 0.8673 0.9559 0.9559 1.5700 1.5700 1.9582 1.9582 2.3329 2.3329 2.4762 2.4762 2.6039 2.6039 4.2319 4.2319 7.9827 7.9827 7.9874 7.9874 8.5544 8.5544 8.7811 8.7811 8.9929 8.9929 k = 0.4773 0.5000-0.0000 ( 20978 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6098 -11.6098 -11.1980 -11.1980 -11.1864 -11.1864 -11.1734 -11.1734 -4.6907 -4.6907 -4.6419 -4.6419 -3.3881 -3.3881 -3.2539 -3.2539 -3.2081 -3.2081 -3.1559 -3.1559 -1.6446 -1.6446 -1.3787 -1.3787 -0.6724 -0.6724 -0.0701 -0.0701 -0.0580 -0.0580 0.1428 0.1428 0.2254 0.2254 0.4310 0.4310 0.7965 0.7965 0.8629 0.8629 0.9548 0.9548 1.5692 1.5692 1.9589 1.9589 2.3348 2.3348 2.4769 2.4769 2.6050 2.6050 4.2276 4.2276 7.9888 7.9888 7.9910 7.9910 8.5459 8.5459 8.7916 8.7916 8.9953 8.9953 k = 0.5000 0.5000-0.0000 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6099 -11.6099 -11.1978 -11.1978 -11.1865 -11.1865 -11.1734 -11.1734 -4.6908 -4.6908 -4.6418 -4.6418 -3.3883 -3.3883 -3.2538 -3.2538 -3.2081 -3.2081 -3.1558 -3.1558 -1.6448 -1.6448 -1.3780 -1.3780 -0.6710 -0.6710 -0.0702 -0.0702 -0.0580 -0.0580 0.1434 0.1434 0.2262 0.2262 0.4296 0.4296 0.7952 0.7952 0.8616 0.8616 0.9544 0.9544 1.5690 1.5690 1.9591 1.9591 2.3354 2.3354 2.4771 2.4771 2.6054 2.6054 4.2262 4.2262 7.9905 7.9905 7.9925 7.9925 8.5430 8.5430 8.7954 8.7954 8.9958 8.9958 k = 0.5000 0.5000-0.0000 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6099 -11.6099 -11.1978 -11.1978 -11.1865 -11.1865 -11.1734 -11.1734 -4.6908 -4.6908 -4.6418 -4.6418 -3.3883 -3.3883 -3.2538 -3.2538 -3.2081 -3.2081 -3.1558 -3.1558 -1.6448 -1.6448 -1.3780 -1.3780 -0.6710 -0.6710 -0.0702 -0.0702 -0.0580 -0.0580 0.1434 0.1434 0.2262 0.2262 0.4296 0.4296 0.7952 0.7952 0.8616 0.8616 0.9544 0.9544 1.5690 1.5690 1.9591 1.9591 2.3354 2.3354 2.4771 2.4771 2.6054 2.6054 4.2262 4.2262 7.9905 7.9905 7.9925 7.9925 8.5430 8.5430 8.7954 8.7954 8.9958 8.9958 k = 0.4833 0.4833-0.0000 ( 20978 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6098 -11.6098 -11.1980 -11.1980 -11.1864 -11.1864 -11.1734 -11.1734 -4.6907 -4.6907 -4.6419 -4.6419 -3.3881 -3.3881 -3.2539 -3.2539 -3.2081 -3.2081 -3.1559 -3.1559 -1.6446 -1.6446 -1.3788 -1.3788 -0.6725 -0.6725 -0.0701 -0.0701 -0.0581 -0.0581 0.1427 0.1427 0.2253 0.2253 0.4311 0.4311 0.7966 0.7966 0.8630 0.8630 0.9548 0.9548 1.5692 1.5692 1.9589 1.9589 2.3348 2.3348 2.4768 2.4768 2.6050 2.6050 4.2278 4.2278 7.9847 7.9847 7.9948 7.9948 8.5461 8.5461 8.7913 8.7913 8.9950 8.9950 k = 0.4667 0.4667-0.0000 ( 20988 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9099 -15.9099 -15.9096 -15.9096 -11.6096 -11.6096 -11.1986 -11.1986 -11.1860 -11.1860 -11.1734 -11.1734 -4.6905 -4.6905 -4.6420 -4.6420 -3.3874 -3.3874 -3.2542 -3.2542 -3.2079 -3.2079 -3.1561 -3.1561 -1.6440 -1.6440 -1.3810 -1.3810 -0.6771 -0.6771 -0.0698 -0.0698 -0.0584 -0.0584 0.1407 0.1407 0.2228 0.2228 0.4355 0.4355 0.8009 0.8009 0.8672 0.8672 0.9560 0.9560 1.5701 1.5701 1.9581 1.9581 2.3327 2.3327 2.4761 2.4761 2.6038 2.6038 4.2324 4.2324 7.9652 7.9652 8.0044 8.0044 8.5550 8.5550 8.7797 8.7797 8.9897 8.9897 k = 0.4500 0.4500-0.0000 ( 20988 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9101 -15.9101 -15.9094 -15.9094 -11.6093 -11.6093 -11.1994 -11.1994 -11.1856 -11.1856 -11.1732 -11.1732 -4.6900 -4.6900 -4.6422 -4.6422 -3.3862 -3.3862 -3.2547 -3.2547 -3.2076 -3.2076 -3.1563 -3.1563 -1.6430 -1.6430 -1.3847 -1.3847 -0.6846 -0.6846 -0.0694 -0.0694 -0.0588 -0.0588 0.1374 0.1374 0.2187 0.2187 0.4426 0.4426 0.8079 0.8079 0.8743 0.8743 0.9581 0.9581 1.5715 1.5715 1.9568 1.9568 2.3294 2.3294 2.4748 2.4748 2.6018 2.6018 4.2400 4.2400 7.9337 7.9337 8.0204 8.0204 8.5689 8.5689 8.7620 8.7620 8.9768 8.9768 k = 0.4333 0.4333-0.0000 ( 20986 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9104 -15.9104 -15.9092 -15.9092 -11.6088 -11.6088 -11.2004 -11.2004 -11.1853 -11.1853 -11.1729 -11.1729 -4.6895 -4.6895 -4.6424 -4.6424 -3.3846 -3.3846 -3.2554 -3.2554 -3.2073 -3.2073 -3.1566 -3.1566 -1.6416 -1.6416 -1.3898 -1.3898 -0.6949 -0.6949 -0.0689 -0.0689 -0.0593 -0.0593 0.1329 0.1329 0.2134 0.2134 0.4520 0.4520 0.8176 0.8176 0.8840 0.8840 0.9610 0.9610 1.5735 1.5735 1.9551 1.9551 2.3247 2.3247 2.4731 2.4731 2.5990 2.5990 4.2505 4.2505 7.8920 7.8920 8.0428 8.0428 8.5865 8.5865 8.7399 8.7399 8.9568 8.9568 k = 0.4167 0.4167-0.0000 ( 20964 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9108 -15.9108 -15.9088 -15.9088 -11.6083 -11.6083 -11.2015 -11.2015 -11.1852 -11.1852 -11.1723 -11.1723 -4.6888 -4.6888 -4.6427 -4.6427 -3.3826 -3.3826 -3.2562 -3.2562 -3.2070 -3.2070 -3.1569 -3.1569 -1.6398 -1.6398 -1.3963 -1.3963 -0.7078 -0.7078 -0.0685 -0.0685 -0.0598 -0.0598 0.1273 0.1273 0.2071 0.2071 0.4634 0.4634 0.8299 0.8299 0.8962 0.8962 0.9648 0.9648 1.5760 1.5760 1.9529 1.9529 2.3186 2.3186 2.4709 2.4709 2.5956 2.5956 4.2637 4.2637 7.8416 7.8416 8.0714 8.0714 8.6066 8.6066 8.7149 8.7149 8.9310 8.9310 k = 0.4000 0.4000-0.0000 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9112 -15.9112 -15.9084 -15.9084 -11.6076 -11.6076 -11.2027 -11.2027 -11.1855 -11.1855 -11.1714 -11.1714 -4.6881 -4.6881 -4.6429 -4.6429 -3.3802 -3.3802 -3.2571 -3.2571 -3.2068 -3.2068 -3.1570 -3.1570 -1.6377 -1.6377 -1.4041 -1.4041 -0.7231 -0.7231 -0.0683 -0.0683 -0.0600 -0.0600 0.1208 0.1208 0.2000 0.2000 0.4764 0.4764 0.8445 0.8445 0.9108 0.9108 0.9693 0.9693 1.5791 1.5791 1.9502 1.9502 2.3113 2.3113 2.4683 2.4683 2.5915 2.5915 4.2795 4.2795 7.7841 7.7841 8.1061 8.1061 8.6282 8.6282 8.6879 8.6879 8.9006 8.9006 k = 0.3833 0.3833-0.0000 ( 20980 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9117 -15.9117 -15.9080 -15.9080 -11.6068 -11.6068 -11.2040 -11.2040 -11.1862 -11.1862 -11.1701 -11.1701 -4.6873 -4.6873 -4.6431 -4.6431 -3.3775 -3.3775 -3.2580 -3.2580 -3.2068 -3.2068 -3.1568 -3.1568 -1.6352 -1.6352 -1.4130 -1.4130 -0.7406 -0.7406 -0.0684 -0.0684 -0.0599 -0.0599 0.1136 0.1136 0.1923 0.1923 0.4907 0.4907 0.8614 0.8614 0.9273 0.9273 0.9749 0.9749 1.5826 1.5826 1.9471 1.9471 2.3026 2.3026 2.4653 2.4653 2.5869 2.5869 4.2976 4.2976 7.7209 7.7209 8.1467 8.1467 8.6504 8.6504 8.6593 8.6593 8.8670 8.8670 k = 0.3667 0.3667-0.0000 ( 20998 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9122 -15.9122 -15.9075 -15.9075 -11.6059 -11.6059 -11.2053 -11.2053 -11.1872 -11.1872 -11.1686 -11.1686 -4.6866 -4.6866 -4.6432 -4.6432 -3.3747 -3.3747 -3.2590 -3.2590 -3.2071 -3.2071 -3.1562 -3.1562 -1.6325 -1.6325 -1.4230 -1.4230 -0.7599 -0.7599 -0.0689 -0.0689 -0.0594 -0.0594 0.1058 0.1058 0.1841 0.1841 0.5061 0.5061 0.8804 0.8804 0.9454 0.9454 0.9817 0.9817 1.5865 1.5865 1.9436 1.9436 2.2927 2.2927 2.4619 2.4619 2.5818 2.5818 4.3177 4.3177 7.6532 7.6532 8.1931 8.1931 8.6287 8.6287 8.6725 8.6725 8.8322 8.8322 k = 0.3500 0.3500-0.0000 ( 20994 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9128 -15.9128 -15.9069 -15.9069 -11.6049 -11.6049 -11.2066 -11.2066 -11.1885 -11.1885 -11.1668 -11.1668 -4.6860 -4.6860 -4.6431 -4.6431 -3.3717 -3.3717 -3.2599 -3.2599 -3.2078 -3.2078 -3.1552 -3.1552 -1.6296 -1.6296 -1.4339 -1.4339 -0.7808 -0.7808 -0.0697 -0.0697 -0.0585 -0.0585 0.0976 0.0976 0.1755 0.1755 0.5223 0.5223 0.9012 0.9012 0.9635 0.9635 0.9908 0.9908 1.5909 1.5909 1.9397 1.9397 2.2816 2.2816 2.4582 2.4582 2.5762 2.5762 4.3397 4.3397 7.5822 7.5822 8.2449 8.2449 8.5955 8.5955 8.6931 8.6931 8.7984 8.7984 k = 0.3333 0.3333-0.0000 ( 21022 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9135 -15.9135 -15.9063 -15.9063 -11.6038 -11.6038 -11.2079 -11.2079 -11.1900 -11.1900 -11.1648 -11.1648 -4.6856 -4.6856 -4.6428 -4.6428 -3.3686 -3.3686 -3.2606 -3.2606 -3.2089 -3.2089 -3.1537 -3.1537 -1.6264 -1.6264 -1.4457 -1.4457 -0.8031 -0.8031 -0.0706 -0.0706 -0.0574 -0.0574 0.0891 0.0891 0.1666 0.1666 0.5391 0.5391 0.9236 0.9236 0.9790 0.9790 1.0049 1.0049 1.5956 1.5956 1.9355 1.9355 2.2692 2.2692 2.4542 2.4542 2.5704 2.5704 4.3631 4.3631 7.5090 7.5090 8.3020 8.3020 8.5586 8.5586 8.7103 8.7103 8.7692 8.7692 k = 0.3167 0.3167-0.0000 ( 21040 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9142 -15.9142 -15.9057 -15.9057 -11.6027 -11.6027 -11.2092 -11.2092 -11.1917 -11.1917 -11.1627 -11.1627 -4.6853 -4.6853 -4.6422 -4.6422 -3.3657 -3.3657 -3.2611 -3.2611 -3.2104 -3.2104 -3.1516 -3.1516 -1.6231 -1.6231 -1.4581 -1.4581 -0.8264 -0.8264 -0.0716 -0.0716 -0.0562 -0.0562 0.0805 0.0805 0.1574 0.1574 0.5564 0.5564 0.9475 0.9475 0.9902 0.9902 1.0251 1.0251 1.6006 1.6006 1.9310 1.9310 2.2558 2.2558 2.4500 2.4500 2.5643 2.5643 4.3877 4.3877 7.4345 7.4345 8.3640 8.3640 8.5174 8.5174 8.7151 8.7151 8.7541 8.7541 k = 0.3000 0.3000-0.0000 ( 21026 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9149 -15.9149 -15.9050 -15.9050 -11.6015 -11.6015 -11.2106 -11.2106 -11.1935 -11.1935 -11.1604 -11.1604 -4.6854 -4.6854 -4.6413 -4.6413 -3.3630 -3.3630 -3.2613 -3.2613 -3.2123 -3.2123 -3.1491 -3.1491 -1.6196 -1.6196 -1.4710 -1.4710 -0.8505 -0.8505 -0.0725 -0.0725 -0.0548 -0.0548 0.0718 0.0718 0.1481 0.1481 0.5739 0.5739 0.9725 0.9725 0.9992 0.9992 1.0492 1.0492 1.6059 1.6059 1.9263 1.9263 2.2412 2.2412 2.4456 2.4456 2.5581 2.5581 4.4132 4.4132 7.3596 7.3596 8.4306 8.4306 8.4720 8.4720 8.7008 8.7008 8.7598 8.7598 k = 0.2833 0.2833-0.0000 ( 21030 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9157 -15.9157 -15.9043 -15.9043 -11.6003 -11.6003 -11.2119 -11.2119 -11.1954 -11.1954 -11.1582 -11.1582 -4.6857 -4.6857 -4.6401 -4.6401 -3.3605 -3.3605 -3.2611 -3.2611 -3.2144 -3.2144 -3.1460 -3.1460 -1.6161 -1.6161 -1.4843 -1.4843 -0.8750 -0.8750 -0.0733 -0.0733 -0.0534 -0.0534 0.0632 0.0632 0.1387 0.1387 0.5916 0.5916 0.9983 0.9983 1.0076 1.0076 1.0754 1.0754 1.6114 1.6114 1.9214 1.9214 2.2257 2.2257 2.4411 2.4411 2.5518 2.5518 4.4391 4.4391 7.2849 7.2849 8.4230 8.4230 8.5012 8.5012 8.6831 8.6831 8.7699 8.7699 k = 0.2667 0.2667-0.0000 ( 21010 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9165 -15.9165 -15.9036 -15.9036 -11.5990 -11.5990 -11.2132 -11.2132 -11.1974 -11.1974 -11.1559 -11.1559 -4.6862 -4.6862 -4.6386 -4.6386 -3.3585 -3.3585 -3.2604 -3.2604 -3.2167 -3.2167 -3.1427 -3.1427 -1.6125 -1.6125 -1.4978 -1.4978 -0.8998 -0.8998 -0.0740 -0.0740 -0.0520 -0.0520 0.0547 0.0547 0.1293 0.1293 0.6092 0.6092 1.0150 1.0150 1.0255 1.0255 1.1028 1.1028 1.6171 1.6171 1.9163 1.9163 2.2093 2.2093 2.4365 2.4365 2.5455 2.5455 4.4653 4.4653 7.2113 7.2113 8.3716 8.3716 8.5754 8.5754 8.6676 8.6676 8.7777 8.7777 k = 0.2500 0.2500-0.0000 ( 21012 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9173 -15.9173 -15.9029 -15.9029 -11.5978 -11.5978 -11.2146 -11.2146 -11.1994 -11.1994 -11.1536 -11.1536 -4.6870 -4.6870 -4.6369 -4.6369 -3.3570 -3.3570 -3.2594 -3.2594 -3.2190 -3.2190 -3.1390 -3.1390 -1.6089 -1.6089 -1.5114 -1.5114 -0.9246 -0.9246 -0.0745 -0.0745 -0.0505 -0.0505 0.0464 0.0464 0.1199 0.1199 0.6266 0.6266 1.0230 1.0230 1.0525 1.0525 1.1310 1.1310 1.6228 1.6228 1.9112 1.9112 2.1921 2.1921 2.4318 2.4318 2.5393 2.5393 4.4913 4.4913 7.1393 7.1393 8.3189 8.3189 8.6497 8.6497 8.6574 8.6574 8.7819 8.7819 k = 0.2333 0.2333-0.0000 ( 21018 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9180 -15.9180 -15.9022 -15.9022 -11.5965 -11.5965 -11.2159 -11.2159 -11.2014 -11.2014 -11.1513 -11.1513 -4.6880 -4.6880 -4.6350 -4.6350 -3.3560 -3.3560 -3.2579 -3.2579 -3.2213 -3.2213 -3.1351 -3.1351 -1.6054 -1.6054 -1.5250 -1.5250 -0.9491 -0.9491 -0.0749 -0.0749 -0.0489 -0.0489 0.0383 0.0383 0.1108 0.1108 0.6437 0.6437 1.0307 1.0307 1.0799 1.0799 1.1597 1.1597 1.6286 1.6286 1.9060 1.9060 2.1741 2.1741 2.4272 2.4272 2.5332 2.5332 4.5169 4.5169 7.0695 7.0695 8.2659 8.2659 8.6436 8.6436 8.7305 8.7305 8.7830 8.7830 k = 0.2167 0.2167-0.0000 ( 21014 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9188 -15.9188 -15.9015 -15.9015 -11.5953 -11.5953 -11.2171 -11.2171 -11.2034 -11.2034 -11.1490 -11.1490 -4.6892 -4.6892 -4.6329 -4.6329 -3.3555 -3.3555 -3.2562 -3.2562 -3.2234 -3.2234 -3.1310 -3.1310 -1.6020 -1.6020 -1.5383 -1.5383 -0.9732 -0.9732 -0.0751 -0.0751 -0.0473 -0.0473 0.0304 0.0304 0.1018 0.1018 0.6604 0.6604 1.0383 1.0383 1.1073 1.1073 1.1885 1.1885 1.6343 1.6343 1.9008 1.9008 2.1557 2.1557 2.4226 2.4226 2.5273 2.5273 4.5417 4.5417 7.0023 7.0023 8.2135 8.2135 8.6348 8.6348 8.7709 8.7709 8.8182 8.8182 k = 0.2000 0.2000-0.0000 ( 21004 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9196 -15.9196 -15.9008 -15.9008 -11.5940 -11.5940 -11.2184 -11.2184 -11.2053 -11.2053 -11.1468 -11.1468 -4.6904 -4.6904 -4.6307 -4.6307 -3.3554 -3.3554 -3.2546 -3.2546 -3.2249 -3.2249 -3.1269 -3.1269 -1.5987 -1.5987 -1.5511 -1.5511 -0.9965 -0.9965 -0.0752 -0.0752 -0.0457 -0.0457 0.0229 0.0229 0.0932 0.0932 0.6765 0.6765 1.0456 1.0456 1.1344 1.1344 1.2172 1.2172 1.6399 1.6399 1.8957 1.8957 2.1368 2.1368 2.4182 2.4182 2.5216 2.5216 4.5656 4.5656 6.9383 6.9383 8.1626 8.1626 8.6276 8.6276 8.7636 8.7636 8.8968 8.8968 k = 0.1833 0.1833-0.0000 ( 21006 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9203 -15.9203 -15.9001 -15.9001 -11.5929 -11.5929 -11.2196 -11.2196 -11.2071 -11.2071 -11.1447 -11.1447 -4.6917 -4.6917 -4.6285 -4.6285 -3.3558 -3.3558 -3.2532 -3.2532 -3.2258 -3.2258 -3.1228 -3.1228 -1.5956 -1.5956 -1.5635 -1.5635 -1.0188 -1.0188 -0.0752 -0.0752 -0.0440 -0.0440 0.0158 0.0158 0.0850 0.0850 0.6919 0.6919 1.0526 1.0526 1.1610 1.1610 1.2453 1.2453 1.6454 1.6454 1.8907 1.8907 2.1177 2.1177 2.4139 2.4139 2.5162 2.5162 4.5882 4.5882 6.8779 6.8779 8.1137 8.1137 8.6216 8.6216 8.7507 8.7507 8.9758 8.9758 k = 0.1667 0.1667-0.0000 ( 20980 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9210 -15.9210 -15.8995 -15.8995 -11.5918 -11.5918 -11.2208 -11.2208 -11.2088 -11.2088 -11.1427 -11.1427 -4.6931 -4.6931 -4.6263 -4.6263 -3.3565 -3.3565 -3.2523 -3.2523 -3.2259 -3.2259 -3.1188 -3.1188 -1.5930 -1.5930 -1.5750 -1.5750 -1.0400 -1.0400 -0.0751 -0.0751 -0.0423 -0.0423 0.0091 0.0091 0.0773 0.0773 0.7064 0.7064 1.0593 1.0593 1.1868 1.1868 1.2727 1.2727 1.6505 1.6505 1.8859 1.8859 2.0986 2.0986 2.4099 2.4099 2.5112 2.5112 4.6094 4.6094 6.8215 6.8215 8.0674 8.0674 8.6167 8.6167 8.7347 8.7347 9.0516 9.0516 k = 0.1500 0.1500-0.0000 ( 20986 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9216 -15.9216 -15.8989 -15.8989 -11.5907 -11.5907 -11.2219 -11.2219 -11.2103 -11.2103 -11.1408 -11.1408 -4.6944 -4.6944 -4.6242 -4.6242 -3.3574 -3.3574 -3.2521 -3.2521 -3.2249 -3.2249 -3.1149 -3.1149 -1.5921 -1.5921 -1.5842 -1.5842 -1.0598 -1.0598 -0.0749 -0.0749 -0.0406 -0.0406 0.0028 0.0028 0.0701 0.0701 0.7199 0.7199 1.0656 1.0656 1.2115 1.2115 1.2990 1.2990 1.6554 1.6554 1.8814 1.8814 2.0797 2.0797 2.4060 2.4060 2.5065 2.5065 4.6289 4.6289 6.7693 6.7693 8.0242 8.0242 8.6127 8.6127 8.7168 8.7168 9.1218 9.1218 k = 0.1333 0.1333-0.0000 ( 20980 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9222 -15.9222 -15.8983 -15.8983 -11.5897 -11.5897 -11.2230 -11.2230 -11.2118 -11.2118 -11.1391 -11.1391 -4.6957 -4.6957 -4.6221 -4.6221 -3.3584 -3.3584 -3.2526 -3.2526 -3.2233 -3.2233 -3.1112 -3.1112 -1.5983 -1.5983 -1.5856 -1.5856 -1.0781 -1.0781 -0.0746 -0.0746 -0.0390 -0.0390 -0.0031 -0.0031 0.0636 0.0636 0.7324 0.7324 1.0715 1.0715 1.2349 1.2349 1.3239 1.3239 1.6600 1.6600 1.8771 1.8771 2.0613 2.0613 2.4025 2.4025 2.5022 2.5022 4.6466 4.6466 6.7218 6.7218 7.9845 7.9845 8.6094 8.6094 8.6980 8.6980 9.1843 9.1843 k = 0.1167 0.1167-0.0000 ( 20998 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9228 -15.9228 -15.8978 -15.8978 -11.5889 -11.5889 -11.2240 -11.2240 -11.2130 -11.2130 -11.1375 -11.1375 -4.6969 -4.6969 -4.6202 -4.6202 -3.3596 -3.3596 -3.2534 -3.2534 -3.2211 -3.2211 -3.1078 -3.1078 -1.6071 -1.6071 -1.5839 -1.5839 -1.0947 -1.0947 -0.0744 -0.0744 -0.0374 -0.0374 -0.0083 -0.0083 0.0577 0.0577 0.7436 0.7436 1.0767 1.0767 1.2566 1.2566 1.3471 1.3471 1.6641 1.6641 1.8732 1.8732 2.0436 2.0436 2.3993 2.3993 2.4984 2.4984 4.6624 4.6624 6.6793 6.6793 7.9486 7.9486 8.6067 8.6067 8.6793 8.6793 9.2377 9.2377 k = 0.1000 0.1000-0.0000 ( 20981 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9233 -15.9233 -15.8974 -15.8974 -11.5881 -11.5881 -11.2249 -11.2249 -11.2141 -11.2141 -11.1361 -11.1361 -4.6980 -4.6980 -4.6185 -4.6185 -3.3607 -3.3607 -3.2545 -3.2545 -3.2187 -3.2187 -3.1047 -3.1047 -1.6151 -1.6151 -1.5821 -1.5821 -1.1094 -1.1094 -0.0741 -0.0741 -0.0359 -0.0359 -0.0131 -0.0131 0.0526 0.0526 0.7536 0.7536 1.0815 1.0815 1.2764 1.2764 1.3683 1.3683 1.6678 1.6678 1.8697 1.8697 2.0271 2.0271 2.3964 2.3964 2.4950 2.4950 4.6762 4.6762 6.6419 6.6419 7.9170 7.9170 8.6045 8.6045 8.6615 8.6615 9.2817 9.2817 k = 0.0833 0.0833-0.0000 ( 20981 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9237 -15.9237 -15.8970 -15.8970 -11.5874 -11.5874 -11.2257 -11.2257 -11.2151 -11.2151 -11.1349 -11.1349 -4.6989 -4.6989 -4.6171 -4.6171 -3.3617 -3.3617 -3.2556 -3.2556 -3.2164 -3.2164 -3.1019 -3.1019 -1.6221 -1.6221 -1.5804 -1.5804 -1.1221 -1.1221 -0.0738 -0.0738 -0.0346 -0.0346 -0.0172 -0.0172 0.0482 0.0482 0.7622 0.7622 1.0855 1.0855 1.2938 1.2938 1.3870 1.3870 1.6710 1.6710 1.8667 1.8667 2.0120 2.0120 2.3940 2.3940 2.4921 2.4921 4.6879 4.6879 6.6099 6.6099 7.8897 7.8897 8.6027 8.6027 8.6453 8.6453 9.3166 9.3166 k = 0.0667 0.0667-0.0000 ( 20981 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9241 -15.9241 -15.8967 -15.8967 -11.5868 -11.5868 -11.2264 -11.2264 -11.2158 -11.2158 -11.1339 -11.1339 -4.6997 -4.6997 -4.6158 -4.6158 -3.3626 -3.3626 -3.2566 -3.2566 -3.2143 -3.2143 -3.0996 -3.0996 -1.6280 -1.6280 -1.5790 -1.5790 -1.1327 -1.1327 -0.0736 -0.0736 -0.0334 -0.0334 -0.0206 -0.0206 0.0445 0.0445 0.7694 0.7694 1.0889 1.0889 1.3086 1.3086 1.4031 1.4031 1.6737 1.6737 1.8641 1.8641 1.9988 1.9988 2.3919 2.3919 2.4897 2.4897 4.6976 4.6976 6.5835 6.5835 7.8672 7.8672 8.6013 8.6013 8.6314 8.6314 9.3435 9.3435 k = 0.0500 0.0500-0.0000 ( 20975 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9243 -15.9243 -15.8964 -15.8964 -11.5864 -11.5864 -11.2270 -11.2270 -11.2164 -11.2164 -11.1331 -11.1331 -4.7004 -4.7004 -4.6148 -4.6148 -3.3634 -3.3634 -3.2574 -3.2574 -3.2126 -3.2126 -3.0978 -3.0978 -1.6326 -1.6326 -1.5779 -1.5779 -1.1410 -1.1410 -0.0733 -0.0733 -0.0325 -0.0325 -0.0233 -0.0233 0.0417 0.0417 0.7750 0.7750 1.0916 1.0916 1.3204 1.3204 1.4161 1.4161 1.6758 1.6758 1.8621 1.8621 1.9879 1.9879 2.3903 2.3903 2.4878 2.4878 4.7051 4.7051 6.5628 6.5628 7.8494 7.8494 8.6001 8.6001 8.6203 8.6203 9.3633 9.3633 k = 0.0333 0.0333-0.0000 ( 20971 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9245 -15.9245 -15.8962 -15.8962 -11.5861 -11.5861 -11.2274 -11.2274 -11.2168 -11.2168 -11.1325 -11.1325 -4.7009 -4.7009 -4.6141 -4.6141 -3.3639 -3.3639 -3.2580 -3.2580 -3.2113 -3.2113 -3.0965 -3.0965 -1.6360 -1.6360 -1.5771 -1.5771 -1.1470 -1.1470 -0.0732 -0.0732 -0.0317 -0.0317 -0.0253 -0.0253 0.0397 0.0397 0.7790 0.7790 1.0935 1.0935 1.3291 1.3291 1.4256 1.4256 1.6773 1.6773 1.8607 1.8607 1.9798 1.9798 2.3891 2.3891 2.4865 2.4865 4.7104 4.7104 6.5479 6.5479 7.8367 7.8367 8.5990 8.5990 8.6123 8.6123 9.3769 9.3769 k = 0.0167 0.0167-0.0000 ( 20985 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9247 -15.9247 -15.8961 -15.8961 -11.5859 -11.5859 -11.2276 -11.2276 -11.2171 -11.2171 -11.1322 -11.1322 -4.7011 -4.7011 -4.6137 -4.6137 -3.3643 -3.3643 -3.2584 -3.2584 -3.2105 -3.2105 -3.0957 -3.0957 -1.6380 -1.6380 -1.5766 -1.5766 -1.1507 -1.1507 -0.0731 -0.0731 -0.0313 -0.0313 -0.0265 -0.0265 0.0384 0.0384 0.7815 0.7815 1.0947 1.0947 1.3344 1.3344 1.4315 1.4315 1.6782 1.6782 1.8598 1.8598 1.9748 1.9748 2.3884 2.3884 2.4857 2.4857 4.7136 4.7136 6.5390 6.5390 7.8290 7.8290 8.5980 8.5980 8.6078 8.6078 9.3849 9.3849 k = 0.0000 0.0000 0.0000 ( 20981 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9247 -15.9247 -15.8961 -15.8961 -11.5858 -11.5858 -11.2277 -11.2277 -11.2172 -11.2172 -11.1321 -11.1321 -4.7012 -4.7012 -4.6135 -4.6135 -3.3644 -3.3644 -3.2586 -3.2586 -3.2102 -3.2102 -3.0954 -3.0954 -1.6387 -1.6387 -1.5765 -1.5765 -1.1519 -1.1519 -0.0730 -0.0730 -0.0311 -0.0311 -0.0269 -0.0269 0.0380 0.0380 0.7823 0.7823 1.0951 1.0951 1.3361 1.3361 1.4335 1.4335 1.6785 1.6785 1.8595 1.8595 1.9731 1.9731 2.3882 2.3882 2.4854 2.4854 4.7147 4.7147 6.5360 6.5360 7.8264 7.8264 8.5975 8.5975 8.6064 8.6064 9.3875 9.3875 k = 0.0000 0.0000 0.0000 ( 20981 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9247 -15.9247 -15.8961 -15.8961 -11.5858 -11.5858 -11.2277 -11.2277 -11.2172 -11.2172 -11.1321 -11.1321 -4.7012 -4.7012 -4.6135 -4.6135 -3.3644 -3.3644 -3.2586 -3.2586 -3.2102 -3.2102 -3.0954 -3.0954 -1.6387 -1.6387 -1.5765 -1.5765 -1.1519 -1.1519 -0.0730 -0.0730 -0.0311 -0.0311 -0.0269 -0.0269 0.0380 0.0380 0.7823 0.7823 1.0951 1.0951 1.3361 1.3361 1.4335 1.4335 1.6785 1.6785 1.8595 1.8595 1.9731 1.9731 2.3882 2.3882 2.4854 2.4854 4.7147 4.7147 6.5360 6.5360 7.8264 7.8264 8.5975 8.5975 8.6064 8.6064 9.3875 9.3875 k = 0.0000 0.0000 0.0233 ( 20985 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9246 -15.9246 -15.8960 -15.8960 -11.5859 -11.5859 -11.2276 -11.2276 -11.2171 -11.2171 -11.1321 -11.1321 -4.7011 -4.7011 -4.6141 -4.6141 -3.3640 -3.3640 -3.2587 -3.2587 -3.2108 -3.2108 -3.0971 -3.0971 -1.6384 -1.6384 -1.5764 -1.5764 -1.1502 -1.1502 -0.0734 -0.0734 -0.0316 -0.0316 -0.0265 -0.0265 0.0383 0.0383 0.7805 0.7805 1.0942 1.0942 1.3356 1.3356 1.4329 1.4329 1.6786 1.6786 1.8604 1.8604 1.9738 1.9738 2.3884 2.3884 2.4855 2.4855 4.7147 4.7147 6.5383 6.5383 7.8300 7.8300 8.5918 8.5918 8.6093 8.6093 9.3899 9.3899 k = 0.0000 0.0000 0.0466 ( 20977 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9244 -15.9244 -15.8959 -15.8959 -11.5863 -11.5863 -11.2274 -11.2274 -11.2168 -11.2168 -11.1319 -11.1319 -4.7009 -4.7009 -4.6158 -4.6158 -3.3630 -3.3630 -3.2589 -3.2589 -3.2125 -3.2125 -3.1023 -3.1023 -1.6378 -1.6378 -1.5763 -1.5763 -1.1452 -1.1452 -0.0744 -0.0744 -0.0329 -0.0329 -0.0251 -0.0251 0.0391 0.0391 0.7752 0.7752 1.0917 1.0917 1.3339 1.3339 1.4314 1.4314 1.6789 1.6789 1.8630 1.8630 1.9758 1.9758 2.3891 2.3891 2.4857 2.4857 4.7148 4.7148 6.5452 6.5452 7.8408 7.8408 8.5750 8.5750 8.6179 8.6179 9.3970 9.3970 k = 0.0000 0.0000 0.0699 ( 20957 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9239 -15.9239 -15.8956 -15.8956 -11.5869 -11.5869 -11.2271 -11.2271 -11.2165 -11.2165 -11.1318 -11.1318 -4.7004 -4.7004 -4.6187 -4.6187 -3.3613 -3.3613 -3.2594 -3.2594 -3.2153 -3.2153 -3.1108 -3.1108 -1.6367 -1.6367 -1.5761 -1.5761 -1.1369 -1.1369 -0.0761 -0.0761 -0.0352 -0.0352 -0.0227 -0.0227 0.0404 0.0404 0.7664 0.7664 1.0874 1.0874 1.3313 1.3313 1.4288 1.4288 1.6794 1.6794 1.8674 1.8674 1.9791 1.9791 2.3903 2.3903 2.4861 2.4861 4.7150 4.7150 6.5567 6.5567 7.8586 7.8586 8.5477 8.5477 8.6322 8.6322 9.4088 9.4088 k = 0.0000 0.0000 0.0932 ( 20961 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9234 -15.9234 -15.8952 -15.8952 -11.5878 -11.5878 -11.2266 -11.2266 -11.2159 -11.2159 -11.1315 -11.1315 -4.6997 -4.6997 -4.6226 -4.6226 -3.3590 -3.3590 -3.2601 -3.2601 -3.2192 -3.2192 -3.1224 -3.1224 -1.6352 -1.6352 -1.5759 -1.5759 -1.1255 -1.1255 -0.0785 -0.0785 -0.0383 -0.0383 -0.0195 -0.0195 0.0423 0.0423 0.7542 0.7542 1.0815 1.0815 1.3276 1.3276 1.4252 1.4252 1.6802 1.6802 1.8734 1.8734 1.9837 1.9837 2.3919 2.3919 2.4865 2.4865 4.7152 4.7152 6.5727 6.5727 7.8832 7.8832 8.5110 8.5110 8.6520 8.6520 9.4252 9.4252 k = 0.0000 0.0000 0.1165 ( 20977 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9226 -15.9226 -15.8948 -15.8948 -11.5889 -11.5889 -11.2259 -11.2259 -11.2152 -11.2152 -11.1312 -11.1312 -4.6989 -4.6989 -4.6277 -4.6277 -3.3560 -3.3560 -3.2611 -3.2611 -3.2240 -3.2240 -3.1370 -3.1370 -1.6333 -1.6333 -1.5755 -1.5755 -1.1114 -1.1114 -0.0815 -0.0815 -0.0422 -0.0422 -0.0155 -0.0155 0.0447 0.0447 0.7389 0.7389 1.0741 1.0741 1.3229 1.3229 1.4207 1.4207 1.6811 1.6811 1.8809 1.8809 1.9896 1.9896 2.3939 2.3939 2.4872 2.4872 4.7155 4.7155 6.5931 6.5931 7.9141 7.9141 8.4663 8.4663 8.6773 8.6773 9.4463 9.4463 k = 0.0000 0.0000 0.1398 ( 20937 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9217 -15.9217 -15.8942 -15.8942 -11.5902 -11.5902 -11.2252 -11.2252 -11.2144 -11.2144 -11.1308 -11.1308 -4.6979 -4.6979 -4.6337 -4.6337 -3.3524 -3.3524 -3.2624 -3.2624 -3.2296 -3.2296 -3.1542 -3.1542 -1.6310 -1.6310 -1.5751 -1.5751 -1.0946 -1.0946 -0.0851 -0.0851 -0.0470 -0.0470 -0.0106 -0.0106 0.0475 0.0475 0.7206 0.7206 1.0651 1.0651 1.3174 1.3174 1.4153 1.4153 1.6822 1.6822 1.8898 1.8898 1.9967 1.9967 2.3964 2.3964 2.4879 2.4879 4.7158 4.7158 6.6179 6.6179 7.9506 7.9506 8.4156 8.4156 8.7079 8.7079 9.4718 9.4718 k = 0.0000 0.0000 0.1631 ( 20937 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9206 -15.9206 -15.8935 -15.8935 -11.5918 -11.5918 -11.2243 -11.2243 -11.2135 -11.2135 -11.1304 -11.1304 -4.6968 -4.6968 -4.6408 -4.6408 -3.3481 -3.3481 -3.2643 -3.2643 -3.2357 -3.2357 -3.1738 -3.1738 -1.6283 -1.6283 -1.5747 -1.5747 -1.0756 -1.0756 -0.0893 -0.0893 -0.0527 -0.0527 -0.0050 -0.0050 0.0509 0.0509 0.6996 0.6996 1.0548 1.0548 1.3111 1.3111 1.4091 1.4091 1.6835 1.6835 1.9000 1.9000 2.0050 2.0050 2.3994 2.3994 2.4889 2.4889 4.7162 4.7162 6.6469 6.6469 7.9909 7.9909 8.3615 8.3615 8.7437 8.7437 9.5017 9.5017 k = 0.0000 0.0000 0.1865 ( 20985 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9195 -15.9195 -15.8928 -15.8928 -11.5935 -11.5935 -11.2233 -11.2233 -11.2124 -11.2124 -11.1299 -11.1299 -4.6955 -4.6955 -4.6488 -4.6488 -3.3434 -3.3434 -3.2671 -3.2671 -3.2418 -3.2418 -3.1955 -3.1955 -1.6253 -1.6253 -1.5742 -1.5742 -1.0546 -1.0546 -0.0942 -0.0942 -0.0591 -0.0591 0.0013 0.0013 0.0546 0.0546 0.6762 0.6762 1.0432 1.0432 1.3041 1.3041 1.4021 1.4021 1.6850 1.6850 1.9113 1.9113 2.0145 2.0145 2.4027 2.4027 2.4899 2.4899 4.7167 4.7167 6.6800 6.6800 8.0309 8.0309 8.3095 8.3095 8.7844 8.7844 9.5359 9.5359 k = 0.0000 0.0000 0.2098 ( 21001 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9181 -15.9181 -15.8920 -15.8920 -11.5954 -11.5954 -11.2222 -11.2222 -11.2112 -11.2112 -11.1294 -11.1294 -4.6940 -4.6940 -4.6576 -4.6576 -3.3381 -3.3381 -3.2715 -3.2715 -3.2473 -3.2473 -3.2188 -3.2188 -1.6219 -1.6219 -1.5737 -1.5737 -1.0320 -1.0320 -0.0996 -0.0996 -0.0663 -0.0663 0.0083 0.0083 0.0588 0.0588 0.6506 0.6506 1.0304 1.0304 1.2965 1.2965 1.3944 1.3944 1.6866 1.6866 1.9236 1.9236 2.0250 2.0250 2.4065 2.4065 2.4910 2.4910 4.7172 4.7172 6.7170 6.7170 8.0584 8.0584 8.2724 8.2724 8.8297 8.8297 9.5740 9.5740 k = 0.0000 0.0000 0.2331 ( 21009 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9167 -15.9167 -15.8911 -15.8911 -11.5976 -11.5976 -11.2210 -11.2210 -11.2099 -11.2099 -11.1288 -11.1288 -4.6925 -4.6925 -4.6672 -4.6672 -3.3324 -3.3324 -3.2778 -3.2778 -3.2516 -3.2516 -3.2434 -3.2434 -1.6183 -1.6183 -1.5732 -1.5732 -1.0081 -1.0081 -0.1055 -0.1055 -0.0742 -0.0742 0.0158 0.0158 0.0633 0.0633 0.6231 0.6231 1.0165 1.0165 1.2883 1.2883 1.3862 1.3862 1.6884 1.6884 1.9367 1.9367 2.0364 2.0364 2.4107 2.4107 2.4923 2.4923 4.7177 4.7177 6.7577 6.7577 8.0506 8.0506 8.2739 8.2739 8.8794 8.8794 9.6159 9.6159 k = 0.0000 0.0000 0.2564 ( 21001 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9152 -15.9152 -15.8901 -15.8901 -11.5998 -11.5998 -11.2197 -11.2197 -11.2085 -11.2085 -11.1281 -11.1281 -4.6908 -4.6908 -4.6775 -4.6775 -3.3265 -3.3265 -3.2861 -3.2861 -3.2688 -3.2688 -3.2545 -3.2545 -1.6144 -1.6144 -1.5726 -1.5726 -0.9832 -0.9832 -0.1120 -0.1120 -0.0828 -0.0828 0.0239 0.0239 0.0682 0.0682 0.5941 0.5941 1.0018 1.0018 1.2798 1.2798 1.3775 1.3775 1.6903 1.6903 1.9505 1.9505 2.0488 2.0488 2.4152 2.4152 2.4937 2.4937 4.7183 4.7183 6.8021 6.8021 8.0055 8.0055 8.3164 8.3164 8.9332 8.9332 9.6611 9.6611 k = 0.0000 0.0000 0.2797 ( 20997 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9135 -15.9135 -15.8891 -15.8891 -11.6022 -11.6022 -11.2183 -11.2183 -11.2070 -11.2070 -11.1274 -11.1274 -4.6890 -4.6890 -4.6884 -4.6884 -3.3212 -3.3212 -3.2959 -3.2959 -3.2939 -3.2939 -3.2565 -3.2565 -1.6103 -1.6103 -1.5720 -1.5720 -0.9577 -0.9577 -0.1189 -0.1189 -0.0920 -0.0920 0.0324 0.0324 0.0734 0.0734 0.5638 0.5638 0.9863 0.9863 1.2708 1.2708 1.3683 1.3683 1.6924 1.6924 1.9648 1.9648 2.0619 2.0619 2.4202 2.4202 2.4952 2.4952 4.7189 4.7189 6.8499 6.8499 7.9426 7.9426 8.3810 8.3810 8.9907 8.9907 9.7091 9.7091 k = 0.0000 0.0000 0.3030 ( 20993 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9118 -15.9118 -15.8880 -15.8880 -11.6047 -11.6047 -11.2169 -11.2169 -11.2055 -11.2055 -11.1267 -11.1267 -4.6998 -4.6998 -4.6872 -4.6872 -3.3280 -3.3280 -3.3071 -3.3071 -3.3066 -3.3066 -3.2579 -3.2579 -1.6060 -1.6060 -1.5714 -1.5714 -0.9318 -0.9318 -0.1262 -0.1262 -0.1019 -0.1019 0.0413 0.0413 0.0788 0.0788 0.5325 0.5325 0.9702 0.9702 1.2617 1.2617 1.3588 1.3588 1.6945 1.6945 1.9795 1.9795 2.0757 2.0757 2.4255 2.4255 2.4968 2.4968 4.7196 4.7196 6.9009 6.9009 7.8730 7.8730 8.4568 8.4568 9.0516 9.0516 9.7545 9.7545 k = 0.0000 0.0000 0.3263 ( 21009 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9100 -15.9100 -15.8869 -15.8869 -11.6073 -11.6073 -11.2154 -11.2154 -11.2039 -11.2039 -11.1260 -11.1260 -4.7116 -4.7116 -4.6852 -4.6852 -3.3526 -3.3526 -3.3180 -3.3180 -3.3023 -3.3023 -3.2589 -3.2589 -1.6015 -1.6015 -1.5707 -1.5707 -0.9058 -0.9058 -0.1339 -0.1339 -0.1122 -0.1122 0.0504 0.0504 0.0845 0.0845 0.5005 0.5005 0.9536 0.9536 1.2523 1.2523 1.3491 1.3491 1.6967 1.6967 1.9946 1.9946 2.0902 2.0902 2.4311 2.4311 2.4985 2.4985 4.7203 4.7203 6.9549 6.9549 7.8009 7.8009 8.5396 8.5396 9.1155 9.1155 9.7285 9.7285 k = 0.0000 0.0000 0.3496 ( 21005 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9082 -15.9082 -15.8858 -15.8858 -11.6100 -11.6100 -11.2138 -11.2138 -11.2022 -11.2022 -11.1252 -11.1252 -4.7238 -4.7238 -4.6833 -4.6833 -3.3793 -3.3793 -3.3299 -3.3299 -3.2952 -3.2952 -3.2596 -3.2596 -1.5969 -1.5969 -1.5701 -1.5701 -0.8799 -0.8799 -0.1419 -0.1419 -0.1229 -0.1229 0.0598 0.0598 0.0903 0.0903 0.4682 0.4682 0.9367 0.9367 1.2428 1.2428 1.3393 1.3393 1.6990 1.6990 2.0097 2.0097 2.1050 2.1050 2.4370 2.4370 2.5003 2.5003 4.7210 4.7210 7.0116 7.0116 7.7285 7.7285 8.6270 8.6270 9.1819 9.1819 9.6856 9.6856 k = 0.0000 0.0000 0.3729 ( 21021 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9063 -15.9063 -15.8847 -15.8847 -11.6128 -11.6128 -11.2123 -11.2123 -11.2006 -11.2006 -11.1245 -11.1245 -4.7362 -4.7362 -4.6813 -4.6813 -3.4061 -3.4061 -3.3420 -3.3420 -3.2874 -3.2874 -3.2601 -3.2601 -1.5923 -1.5923 -1.5695 -1.5695 -0.8545 -0.8545 -0.1501 -0.1501 -0.1341 -0.1341 0.0693 0.0693 0.0962 0.0962 0.4357 0.4357 0.9197 0.9197 1.2333 1.2333 1.3295 1.3295 1.7013 1.7013 2.0250 2.0250 2.1203 2.1203 2.4431 2.4431 2.5021 2.5021 4.7217 4.7217 7.0705 7.0705 7.6570 7.6570 8.7175 8.7175 9.2504 9.2504 9.6407 9.6407 k = 0.0000 0.0000 0.3962 ( 21021 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9044 -15.9044 -15.8835 -15.8835 -11.6155 -11.6155 -11.2107 -11.2107 -11.1989 -11.1989 -11.1237 -11.1237 -4.7486 -4.7486 -4.6793 -4.6793 -3.4325 -3.4325 -3.3542 -3.3542 -3.2794 -3.2794 -3.2605 -3.2605 -1.5876 -1.5876 -1.5688 -1.5688 -0.8295 -0.8295 -0.1586 -0.1586 -0.1454 -0.1454 0.0789 0.0789 0.1022 0.1022 0.4034 0.4034 0.9026 0.9026 1.2239 1.2239 1.3196 1.3196 1.7036 1.7036 2.0401 2.0401 2.1357 2.1357 2.4495 2.4495 2.5041 2.5041 4.7224 4.7224 7.1310 7.1310 7.5879 7.5879 8.8091 8.8091 9.3204 9.3204 9.5949 9.5949 k = 0.0000 0.0000 0.4195 ( 21013 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9026 -15.9026 -15.8823 -15.8823 -11.6183 -11.6183 -11.2091 -11.2091 -11.1972 -11.1972 -11.1229 -11.1229 -4.7611 -4.7611 -4.6773 -4.6773 -3.4583 -3.4583 -3.3664 -3.3664 -3.2713 -3.2713 -3.2607 -3.2607 -1.5829 -1.5829 -1.5682 -1.5682 -0.8054 -0.8054 -0.1671 -0.1671 -0.1570 -0.1570 0.0884 0.0884 0.1083 0.1083 0.3715 0.3715 0.8857 0.8857 1.2146 1.2146 1.3100 1.3100 1.7060 1.7060 2.0551 2.0551 2.1512 2.1512 2.4561 2.4561 2.5060 2.5060 4.7231 4.7231 7.1916 7.1916 7.5229 7.5229 8.8996 8.8996 9.3915 9.3915 9.5491 9.5491 k = 0.0000 0.0000 0.4428 ( 20989 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9007 -15.9007 -15.8812 -15.8812 -11.6211 -11.6211 -11.2075 -11.2075 -11.1955 -11.1955 -11.1221 -11.1221 -4.7734 -4.7734 -4.6753 -4.6753 -3.4833 -3.4833 -3.3785 -3.3785 -3.2632 -3.2632 -3.2607 -3.2607 -1.5782 -1.5782 -1.5676 -1.5676 -0.7821 -0.7821 -0.1757 -0.1757 -0.1686 -0.1686 0.0979 0.0979 0.1143 0.1143 0.3402 0.3402 0.8690 0.8690 1.2055 1.2055 1.3005 1.3005 1.7083 1.7083 2.0698 2.0698 2.1667 2.1667 2.4629 2.4629 2.5080 2.5080 4.7238 4.7238 7.2478 7.2478 7.4669 7.4669 8.9861 8.9861 9.4627 9.4627 9.5043 9.5043 k = 0.0000 0.0000 0.4661 ( 20989 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8988 -15.8988 -15.8800 -15.8800 -11.6238 -11.6238 -11.2060 -11.2060 -11.1938 -11.1938 -11.1214 -11.1214 -4.7856 -4.7856 -4.6733 -4.6733 -3.5072 -3.5072 -3.3903 -3.3903 -3.2606 -3.2606 -3.2551 -3.2551 -1.5736 -1.5736 -1.5669 -1.5669 -0.7598 -0.7598 -0.1843 -0.1843 -0.1802 -0.1802 0.1071 0.1071 0.1202 0.1202 0.3098 0.3098 0.8528 0.8528 1.1966 1.1966 1.2913 1.2913 1.7106 1.7106 2.0840 2.0840 2.1819 2.1819 2.4697 2.4697 2.5100 2.5100 4.7245 4.7245 7.2832 7.2832 7.4367 7.4367 9.0644 9.0644 9.4586 9.4586 9.4983 9.4983 k = 0.0000 0.0000 0.4894 ( 20977 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8971 -15.8971 -15.8789 -15.8789 -11.6264 -11.6264 -11.2045 -11.2045 -11.1922 -11.1922 -11.1206 -11.1206 -4.7974 -4.7974 -4.6714 -4.6714 -3.5301 -3.5301 -3.4018 -3.4018 -3.2604 -3.2604 -3.2471 -3.2471 -1.5692 -1.5692 -1.5663 -1.5663 -0.7388 -0.7388 -0.1927 -0.1927 -0.1917 -0.1917 0.1161 0.1161 0.1260 0.1260 0.2805 0.2805 0.8371 0.8371 1.1881 1.1881 1.2824 1.2824 1.7128 1.7128 2.0977 2.0977 2.1969 2.1969 2.4766 2.4766 2.5120 2.5120 4.7251 4.7251 7.2701 7.2701 7.4599 7.4599 9.1296 9.1296 9.4161 9.4161 9.4525 9.4525 k = 0.0000 0.0000 0.5127 ( 20969 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8953 -15.8953 -15.8779 -15.8779 -11.6290 -11.6290 -11.2030 -11.2030 -11.1906 -11.1906 -11.1199 -11.1199 -4.8088 -4.8088 -4.6696 -4.6696 -3.5517 -3.5517 -3.4128 -3.4128 -3.2601 -3.2601 -3.2394 -3.2394 -1.5658 -1.5658 -1.5648 -1.5648 -0.7190 -0.7190 -0.2029 -0.2029 -0.2009 -0.2009 0.1248 0.1248 0.1317 0.1317 0.2525 0.2525 0.8220 0.8220 1.1800 1.1800 1.2739 1.2739 1.7150 1.7150 2.1108 2.1108 2.2113 2.2113 2.4835 2.4835 2.5140 2.5140 4.7258 4.7258 7.2274 7.2274 7.5178 7.5178 9.1760 9.1760 9.3752 9.3752 9.4089 9.4089 k = 0.0000 0.0000 0.5361 ( 20949 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8937 -15.8937 -15.8768 -15.8768 -11.6314 -11.6314 -11.2016 -11.2016 -11.1891 -11.1891 -11.1192 -11.1192 -4.8197 -4.8197 -4.6679 -4.6679 -3.5719 -3.5719 -3.4233 -3.4233 -3.2598 -3.2598 -3.2319 -3.2319 -1.5652 -1.5652 -1.5607 -1.5607 -0.7005 -0.7005 -0.2137 -0.2137 -0.2089 -0.2089 0.1331 0.1331 0.1371 0.1371 0.2260 0.2260 0.8077 0.8077 1.1723 1.1723 1.2659 1.2659 1.7171 1.7171 2.1232 2.1232 2.2251 2.2251 2.4903 2.4903 2.5160 2.5160 4.7264 4.7264 7.1786 7.1786 7.5872 7.5872 9.1999 9.1999 9.3366 9.3366 9.3678 9.3678 k = 0.0000 0.0000 0.5594 ( 20965 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8921 -15.8921 -15.8759 -15.8759 -11.6337 -11.6337 -11.2003 -11.2003 -11.1877 -11.1877 -11.1186 -11.1186 -4.8300 -4.8300 -4.6662 -4.6662 -3.5907 -3.5907 -3.4331 -3.4331 -3.2593 -3.2593 -3.2248 -3.2248 -1.5647 -1.5647 -1.5568 -1.5568 -0.6834 -0.6834 -0.2241 -0.2241 -0.2165 -0.2165 0.1409 0.1409 0.1422 0.1422 0.2012 0.2012 0.7943 0.7943 1.1651 1.1651 1.2585 1.2585 1.7190 1.7190 2.1348 2.1348 2.2382 2.2382 2.4969 2.4969 2.5179 2.5179 4.7270 4.7270 7.1303 7.1303 7.6614 7.6614 9.2003 9.2003 9.3004 9.3004 9.3295 9.3295 k = 0.0000 0.0000 0.5827 ( 20953 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8906 -15.8906 -15.8750 -15.8750 -11.6359 -11.6359 -11.1991 -11.1991 -11.1864 -11.1864 -11.1180 -11.1180 -4.8395 -4.8395 -4.6647 -4.6647 -3.6079 -3.6079 -3.4423 -3.4423 -3.2588 -3.2588 -3.2181 -3.2181 -1.5642 -1.5642 -1.5531 -1.5531 -0.6679 -0.6679 -0.2339 -0.2339 -0.2237 -0.2237 0.1470 0.1470 0.1482 0.1482 0.1783 0.1783 0.7818 0.7818 1.1584 1.1584 1.2516 1.2516 1.7208 1.7208 2.1455 2.1455 2.2505 2.2505 2.5032 2.5032 2.5197 2.5197 4.7276 4.7276 7.0848 7.0848 7.7382 7.7382 9.1799 9.1799 9.2671 9.2671 9.2941 9.2941 k = 0.0000 0.0000 0.6060 ( 20953 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8893 -15.8893 -15.8741 -15.8741 -11.6379 -11.6379 -11.1980 -11.1980 -11.1852 -11.1852 -11.1174 -11.1174 -4.8483 -4.8483 -4.6633 -4.6633 -3.6235 -3.6235 -3.4507 -3.4507 -3.2583 -3.2583 -3.2119 -3.2119 -1.5638 -1.5638 -1.5497 -1.5497 -0.6538 -0.6538 -0.2429 -0.2429 -0.2303 -0.2303 0.1514 0.1514 0.1543 0.1543 0.1579 0.1579 0.7705 0.7705 1.1523 1.1523 1.2453 1.2453 1.7225 1.7225 2.1552 2.1552 2.2617 2.2617 2.5092 2.5092 2.5214 2.5214 4.7281 4.7281 7.0430 7.0430 7.8166 7.8166 9.1429 9.1429 9.2368 9.2368 9.2617 9.2617 k = 0.0000 0.0000 0.6293 ( 20905 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8881 -15.8881 -15.8734 -15.8734 -11.6397 -11.6397 -11.1969 -11.1969 -11.1841 -11.1841 -11.1169 -11.1169 -4.8563 -4.8563 -4.6620 -4.6620 -3.6374 -3.6374 -3.4582 -3.4582 -3.2578 -3.2578 -3.2062 -3.2062 -1.5634 -1.5634 -1.5466 -1.5466 -0.6414 -0.6413 -0.2512 -0.2512 -0.2364 -0.2364 0.1383 0.1383 0.1554 0.1554 0.1611 0.1611 0.7602 0.7602 1.1468 1.1468 1.2396 1.2396 1.7240 1.7240 2.1639 2.1639 2.2719 2.2719 2.5148 2.5148 2.5230 2.5230 4.7285 4.7285 7.0052 7.0052 7.8961 7.8961 9.0934 9.0934 9.2096 9.2096 9.2327 9.2327 k = 0.0000 0.0000 0.6526 ( 20897 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8870 -15.8870 -15.8727 -15.8727 -11.6413 -11.6413 -11.1960 -11.1960 -11.1831 -11.1831 -11.1165 -11.1165 -4.8633 -4.8633 -4.6609 -4.6609 -3.6496 -3.6496 -3.4649 -3.4649 -3.2574 -3.2574 -3.2012 -3.2012 -1.5630 -1.5630 -1.5439 -1.5439 -0.6305 -0.6305 -0.2586 -0.2586 -0.2418 -0.2418 0.1218 0.1218 0.1590 0.1590 0.1665 0.1665 0.7512 0.7512 1.1419 1.1419 1.2347 1.2347 1.7254 1.7254 2.1716 2.1716 2.2809 2.2809 2.5198 2.5198 2.5244 2.5244 4.7289 4.7289 6.9720 6.9720 7.9760 7.9760 9.0350 9.0350 9.1858 9.1858 9.2072 9.2072 k = 0.0000 0.0000 0.6759 ( 20902 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8860 -15.8860 -15.8722 -15.8722 -11.6426 -11.6426 -11.1953 -11.1953 -11.1823 -11.1823 -11.1161 -11.1161 -4.8694 -4.8694 -4.6600 -4.6600 -3.6599 -3.6599 -3.4706 -3.4706 -3.2569 -3.2569 -3.1969 -3.1969 -1.5627 -1.5627 -1.5416 -1.5416 -0.6213 -0.6213 -0.2650 -0.2650 -0.2465 -0.2465 0.1076 0.1076 0.1621 0.1621 0.1711 0.1711 0.7435 0.7435 1.1378 1.1378 1.2304 1.2304 1.7265 1.7265 2.1781 2.1781 2.2887 2.2887 2.5243 2.5243 2.5257 2.5257 4.7293 4.7293 6.9435 6.9435 8.0554 8.0554 8.9707 8.9707 9.1655 9.1655 9.1854 9.1854 k = 0.0000 0.0000 0.6992 ( 20902 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8853 -15.8853 -15.8717 -15.8717 -11.6438 -11.6438 -11.1946 -11.1946 -11.1816 -11.1816 -11.1158 -11.1158 -4.8744 -4.8744 -4.6592 -4.6592 -3.6685 -3.6685 -3.4753 -3.4753 -3.2565 -3.2565 -3.1932 -3.1932 -1.5624 -1.5624 -1.5396 -1.5396 -0.6137 -0.6137 -0.2703 -0.2703 -0.2504 -0.2504 0.0959 0.0959 0.1646 0.1646 0.1749 0.1749 0.7371 0.7371 1.1344 1.1344 1.2269 1.2269 1.7275 1.7275 2.1836 2.1836 2.2951 2.2951 2.5267 2.5267 2.5280 2.5280 4.7295 4.7295 6.9199 6.9199 8.1333 8.1333 8.9035 8.9035 9.1487 9.1487 9.1674 9.1674 k = 0.0000 0.0000 0.7225 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8847 -15.8847 -15.8713 -15.8713 -11.6447 -11.6447 -11.1941 -11.1941 -11.1810 -11.1810 -11.1156 -11.1156 -4.8783 -4.8783 -4.6585 -4.6585 -3.6751 -3.6751 -3.4791 -3.4791 -3.2562 -3.2562 -3.1904 -3.1904 -1.5622 -1.5622 -1.5381 -1.5381 -0.6078 -0.6078 -0.2746 -0.2746 -0.2535 -0.2535 0.0867 0.0867 0.1666 0.1666 0.1779 0.1779 0.7321 0.7321 1.1317 1.1317 1.2242 1.2242 1.7283 1.7283 2.1878 2.1878 2.3002 2.3002 2.5276 2.5276 2.5310 2.5310 4.7298 4.7298 6.9015 6.9015 8.2074 8.2074 8.8366 8.8366 9.1355 9.1355 9.1534 9.1534 k = 0.0000 0.0000 0.7458 ( 20910 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8842 -15.8842 -15.8710 -15.8710 -11.6453 -11.6453 -11.1937 -11.1937 -11.1806 -11.1806 -11.1154 -11.1154 -4.8812 -4.8812 -4.6581 -4.6581 -3.6799 -3.6799 -3.4817 -3.4817 -3.2560 -3.2560 -3.1883 -3.1883 -1.5621 -1.5621 -1.5370 -1.5370 -0.6035 -0.6035 -0.2776 -0.2776 -0.2557 -0.2557 0.0800 0.0800 0.1681 0.1681 0.1801 0.1801 0.7285 0.7285 1.1297 1.1297 1.2222 1.2222 1.7288 1.7288 2.1908 2.1908 2.3038 2.3038 2.5282 2.5282 2.5332 2.5332 4.7299 4.7299 6.8882 6.8882 8.2736 8.2736 8.7750 8.7750 9.1261 9.1261 9.1433 9.1433 k = 0.0000 0.0000 0.7691 ( 20926 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8840 -15.8840 -15.8709 -15.8709 -11.6457 -11.6457 -11.1935 -11.1935 -11.1804 -11.1804 -11.1153 -11.1153 -4.8829 -4.8829 -4.6578 -4.6578 -3.6828 -3.6828 -3.4833 -3.4833 -3.2559 -3.2559 -3.1871 -3.1871 -1.5620 -1.5620 -1.5363 -1.5363 -0.6010 -0.6010 -0.2795 -0.2795 -0.2571 -0.2571 0.0760 0.0760 0.1690 0.1690 0.1814 0.1814 0.7263 0.7263 1.1286 1.1286 1.2210 1.2210 1.7291 1.7291 2.1926 2.1926 2.3060 2.3060 2.5286 2.5286 2.5345 2.5345 4.7300 4.7300 6.8802 6.8802 8.3236 8.3236 8.7276 8.7276 9.1204 9.1204 9.1372 9.1372 k = 0.0000 0.0000 0.7924 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8839 -15.8839 -15.8708 -15.8708 -11.6458 -11.6458 -11.1934 -11.1934 -11.1803 -11.1803 -11.1152 -11.1152 -4.8835 -4.8835 -4.6577 -4.6577 -3.6837 -3.6837 -3.4839 -3.4839 -3.2558 -3.2558 -3.1866 -3.1866 -1.5620 -1.5620 -1.5361 -1.5361 -0.6001 -0.6001 -0.2801 -0.2801 -0.2575 -0.2575 0.0747 0.0747 0.1693 0.1693 0.1819 0.1819 0.7256 0.7256 1.1282 1.1282 1.2206 1.2206 1.7293 1.7293 2.1933 2.1933 2.3068 2.3068 2.5287 2.5287 2.5349 2.5349 4.7301 4.7301 6.8775 6.8775 8.3433 8.3433 8.7087 8.7087 9.1185 9.1185 9.1352 9.1352 k = 0.0000 0.0000 0.7924 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8839 -15.8839 -15.8708 -15.8708 -11.6458 -11.6458 -11.1934 -11.1934 -11.1803 -11.1803 -11.1152 -11.1152 -4.8835 -4.8835 -4.6577 -4.6577 -3.6837 -3.6837 -3.4839 -3.4839 -3.2558 -3.2558 -3.1866 -3.1866 -1.5620 -1.5620 -1.5361 -1.5361 -0.6001 -0.6001 -0.2801 -0.2801 -0.2575 -0.2575 0.0747 0.0747 0.1693 0.1693 0.1819 0.1819 0.7256 0.7256 1.1282 1.1282 1.2206 1.2206 1.7293 1.7293 2.1933 2.1933 2.3068 2.3068 2.5287 2.5287 2.5349 2.5349 4.7301 4.7301 6.8775 6.8775 8.3433 8.3433 8.7087 8.7087 9.1185 9.1185 9.1352 9.1352 k = 0.0000 0.0227 0.7924 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8839 -15.8839 -15.8708 -15.8708 -11.6457 -11.6457 -11.1935 -11.1935 -11.1804 -11.1804 -11.1153 -11.1153 -4.8832 -4.8832 -4.6580 -4.6580 -3.6832 -3.6832 -3.4835 -3.4835 -3.2563 -3.2563 -3.1871 -3.1871 -1.5625 -1.5625 -1.5356 -1.5356 -0.6016 -0.6016 -0.2790 -0.2790 -0.2566 -0.2566 0.0722 0.0722 0.1702 0.1702 0.1833 0.1833 0.7266 0.7266 1.1282 1.1282 1.2206 1.2206 1.7281 1.7281 2.1932 2.1932 2.3064 2.3064 2.5284 2.5284 2.5347 2.5347 4.7290 4.7290 6.8795 6.8795 8.3441 8.3441 8.7112 8.7112 9.1207 9.1207 9.1375 9.1375 k = 0.0000 0.0455 0.7924 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8838 -15.8838 -15.8709 -15.8709 -11.6452 -11.6452 -11.1937 -11.1937 -11.1806 -11.1806 -11.1156 -11.1156 -4.8822 -4.8822 -4.6587 -4.6587 -3.6814 -3.6814 -3.4825 -3.4825 -3.2577 -3.2577 -3.1883 -3.1883 -1.5640 -1.5640 -1.5343 -1.5343 -0.6059 -0.6059 -0.2759 -0.2759 -0.2536 -0.2536 0.0654 0.0654 0.1705 0.1705 0.1889 0.1889 0.7298 0.7298 1.1284 1.1284 1.2206 1.2206 1.7248 1.7248 2.1928 2.1928 2.3054 2.3054 2.5275 2.5275 2.5341 2.5341 4.7258 4.7258 6.8856 6.8856 8.3466 8.3466 8.7184 8.7184 9.1264 9.1264 9.1453 9.1453 k = 0.0000 0.0682 0.7924 ( 20934 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8837 -15.8837 -15.8710 -15.8710 -11.6443 -11.6443 -11.1941 -11.1941 -11.1808 -11.1808 -11.1160 -11.1160 -4.8806 -4.8806 -4.6601 -4.6601 -3.6786 -3.6786 -3.4808 -3.4808 -3.2600 -3.2600 -3.1904 -3.1904 -1.5664 -1.5664 -1.5322 -1.5322 -0.6128 -0.6128 -0.2712 -0.2712 -0.2487 -0.2487 0.0559 0.0559 0.1685 0.1685 0.1993 0.1993 0.7351 0.7351 1.1287 1.1287 1.2206 1.2206 1.7194 1.7194 2.1923 2.1923 2.3038 2.3038 2.5260 2.5260 2.5331 2.5331 4.7206 4.7206 6.8956 6.8956 8.3507 8.3507 8.7304 8.7304 9.1342 9.1342 9.1601 9.1601 k = 0.0000 0.0909 0.7924 ( 20934 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8836 -15.8836 -15.8711 -15.8711 -11.6432 -11.6432 -11.1948 -11.1948 -11.1810 -11.1810 -11.1166 -11.1166 -4.8785 -4.8785 -4.6619 -4.6619 -3.6746 -3.6746 -3.4785 -3.4785 -3.2632 -3.2632 -3.1933 -3.1933 -1.5698 -1.5698 -1.5292 -1.5292 -0.6220 -0.6220 -0.2656 -0.2656 -0.2414 -0.2414 0.0449 0.0449 0.1648 0.1648 0.2124 0.2124 0.7422 0.7422 1.1291 1.1291 1.2207 1.2207 1.7119 1.7119 2.1914 2.1914 2.3015 2.3015 2.5238 2.5238 2.5318 2.5318 4.7134 4.7134 6.9096 6.9096 8.3562 8.3562 8.7468 8.7468 9.1435 9.1435 9.1821 9.1821 k = 0.0000 0.1136 0.7924 ( 20936 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8835 -15.8835 -15.8712 -15.8712 -11.6417 -11.6417 -11.1959 -11.1959 -11.1810 -11.1810 -11.1173 -11.1173 -4.8757 -4.8757 -4.6642 -4.6642 -3.6696 -3.6696 -3.4755 -3.4755 -3.2673 -3.2673 -3.1970 -3.1970 -1.5739 -1.5739 -1.5254 -1.5254 -0.6330 -0.6330 -0.2599 -0.2599 -0.2315 -0.2315 0.0333 0.0333 0.1599 0.1599 0.2271 0.2271 0.7509 0.7509 1.1297 1.1297 1.2209 1.2209 1.7023 1.7023 2.1902 2.1902 2.2987 2.2987 2.5211 2.5211 2.5302 2.5302 4.7046 4.7046 6.9274 6.9274 8.3629 8.3629 8.7673 8.7673 9.1550 9.1550 9.2108 9.2108 k = 0.0000 0.1364 0.7924 ( 20924 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8833 -15.8833 -15.8714 -15.8714 -11.6400 -11.6400 -11.1974 -11.1974 -11.1808 -11.1808 -11.1183 -11.1183 -4.8723 -4.8723 -4.6670 -4.6670 -3.6634 -3.6634 -3.4718 -3.4718 -3.2724 -3.2724 -3.2014 -3.2014 -1.5787 -1.5787 -1.5209 -1.5209 -0.6453 -0.6453 -0.2546 -0.2546 -0.2190 -0.2190 0.0216 0.0216 0.1542 0.1542 0.2426 0.2426 0.7611 0.7611 1.1306 1.1306 1.2213 1.2213 1.6910 1.6910 2.1887 2.1887 2.2954 2.2954 2.5177 2.5177 2.5286 2.5286 4.6942 4.6942 6.9489 6.9489 8.3707 8.3707 8.7914 8.7914 9.1692 9.1692 9.2457 9.2457 k = 0.0000 0.1591 0.7924 ( 20940 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8831 -15.8831 -15.8716 -15.8716 -11.6380 -11.6380 -11.1993 -11.1993 -11.1804 -11.1804 -11.1193 -11.1193 -4.8684 -4.8684 -4.6703 -4.6703 -3.6563 -3.6563 -3.4675 -3.4675 -3.2783 -3.2783 -3.2066 -3.2066 -1.5840 -1.5840 -1.5157 -1.5157 -0.6587 -0.6587 -0.2501 -0.2501 -0.2043 -0.2043 0.0101 0.0101 0.1479 0.1479 0.2585 0.2585 0.7725 0.7725 1.1316 1.1316 1.2219 1.2219 1.6779 1.6779 2.1867 2.1867 2.2917 2.2917 2.5139 2.5139 2.5268 2.5268 4.6826 4.6826 6.9740 6.9740 8.3791 8.3791 8.8185 8.8185 9.1865 9.1865 9.2861 9.2861 k = 0.0000 0.1818 0.7924 ( 20942 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8828 -15.8828 -15.8719 -15.8719 -11.6358 -11.6358 -11.2016 -11.2016 -11.1797 -11.1797 -11.1205 -11.1205 -4.8639 -4.8639 -4.6741 -4.6741 -3.6482 -3.6482 -3.4626 -3.4626 -3.2851 -3.2851 -3.2125 -3.2125 -1.5898 -1.5898 -1.5099 -1.5099 -0.6726 -0.6726 -0.2466 -0.2466 -0.1876 -0.1876 -0.0010 -0.0010 0.1411 0.1411 0.2746 0.2746 0.7847 0.7847 1.1330 1.1330 1.2227 1.2227 1.6633 1.6633 2.1843 2.1843 2.2876 2.2876 2.5096 2.5096 2.5249 2.5249 4.6700 4.6700 7.0025 7.0025 8.3878 8.3878 8.8479 8.8479 9.2073 9.2073 9.3317 9.3317 k = 0.0000 0.2045 0.7924 ( 20948 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8826 -15.8826 -15.8721 -15.8721 -11.6334 -11.6334 -11.2042 -11.2042 -11.1787 -11.1787 -11.1219 -11.1219 -4.8590 -4.8590 -4.6783 -4.6783 -3.6391 -3.6391 -3.4571 -3.4571 -3.2927 -3.2927 -3.2191 -3.2191 -1.5959 -1.5959 -1.5037 -1.5037 -0.6868 -0.6868 -0.2440 -0.2440 -0.1694 -0.1694 -0.0116 -0.0116 0.1342 0.1342 0.2904 0.2904 0.7976 0.7976 1.1346 1.1346 1.2237 1.2237 1.6475 1.6475 2.1814 2.1814 2.2833 2.2833 2.5050 2.5050 2.5231 2.5231 4.6566 4.6566 7.0342 7.0342 8.3963 8.3963 8.8787 8.8787 9.2322 9.2322 9.3820 9.3820 k = 0.0000 0.2273 0.7924 ( 20948 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8823 -15.8823 -15.8724 -15.8724 -11.6308 -11.6308 -11.2070 -11.2070 -11.1776 -11.1776 -11.1233 -11.1233 -4.8536 -4.8536 -4.6830 -4.6830 -3.6291 -3.6291 -3.4510 -3.4510 -3.3011 -3.3011 -3.2263 -3.2263 -1.6021 -1.6021 -1.4970 -1.4970 -0.7009 -0.7009 -0.2425 -0.2425 -0.1501 -0.1501 -0.0217 -0.0217 0.1272 0.1272 0.3060 0.3060 0.8108 0.8108 1.1366 1.1366 1.2251 1.2251 1.6306 1.6306 2.1781 2.1781 2.2788 2.2788 2.5002 2.5002 2.5212 2.5212 4.6429 4.6429 7.0688 7.0688 8.4040 8.4040 8.9101 8.9101 9.2615 9.2615 9.4363 9.4363 k = 0.0000 0.2500 0.7924 ( 20936 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8820 -15.8820 -15.8727 -15.8727 -11.6282 -11.6282 -11.2101 -11.2101 -11.1762 -11.1762 -11.1249 -11.1249 -4.8477 -4.8477 -4.6881 -4.6881 -3.6184 -3.6184 -3.4444 -3.4444 -3.3103 -3.3103 -3.2340 -3.2340 -1.6084 -1.6084 -1.4901 -1.4901 -0.7147 -0.7147 -0.2419 -0.2419 -0.1302 -0.1302 -0.0310 -0.0310 0.1202 0.1202 0.3210 0.3210 0.8241 0.8241 1.1389 1.1389 1.2266 1.2266 1.6130 1.6130 2.1743 2.1743 2.2741 2.2741 2.4953 2.4953 2.5195 2.5195 4.6290 4.6290 7.1060 7.1060 8.4102 8.4102 8.9410 8.9410 9.2955 9.2955 9.4943 9.4943 k = 0.0000 0.2727 0.7924 ( 20928 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8816 -15.8816 -15.8731 -15.8731 -11.6256 -11.6256 -11.2132 -11.2132 -11.1747 -11.1747 -11.1266 -11.1266 -4.8415 -4.8415 -4.6936 -4.6936 -3.6069 -3.6069 -3.4373 -3.4373 -3.3202 -3.3202 -3.2423 -3.2423 -1.6145 -1.6145 -1.4831 -1.4831 -0.7279 -0.7279 -0.2423 -0.2423 -0.1100 -0.1100 -0.0397 -0.0397 0.1135 0.1135 0.3353 0.3353 0.8373 0.8373 1.1414 1.1414 1.2285 1.2285 1.5950 1.5950 2.1702 2.1702 2.2695 2.2695 2.4904 2.4904 2.5179 2.5179 4.6153 4.6153 7.1453 7.1453 8.4143 8.4143 8.9708 8.9708 9.3344 9.3344 9.5552 9.5552 k = 0.0000 0.2955 0.7924 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8813 -15.8813 -15.8734 -15.8734 -11.6229 -11.6229 -11.2163 -11.2163 -11.1731 -11.1731 -11.1284 -11.1284 -4.8349 -4.8349 -4.6995 -4.6995 -3.5947 -3.5947 -3.4298 -3.4298 -3.3308 -3.3308 -3.2511 -3.2511 -1.6204 -1.6204 -1.4761 -1.4761 -0.7404 -0.7404 -0.2436 -0.2436 -0.0900 -0.0900 -0.0476 -0.0476 0.1072 0.1072 0.3488 0.3488 0.8500 0.8500 1.1443 1.1443 1.2305 1.2305 1.5768 1.5768 2.1659 2.1659 2.2649 2.2649 2.4855 2.4855 2.5164 2.5164 4.6020 4.6020 7.1863 7.1863 8.4156 8.4156 8.9987 8.9987 9.3778 9.3778 9.6185 9.6185 k = 0.0000 0.3182 0.7924 ( 20942 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8809 -15.8809 -15.8738 -15.8738 -11.6203 -11.6203 -11.2193 -11.2193 -11.1715 -11.1715 -11.1302 -11.1302 -4.8280 -4.8280 -4.7057 -4.7057 -3.5820 -3.5820 -3.4219 -3.4219 -3.3419 -3.3419 -3.2602 -3.2602 -1.6260 -1.6260 -1.4693 -1.4693 -0.7520 -0.7520 -0.2455 -0.2455 -0.0706 -0.0706 -0.0546 -0.0546 0.1013 0.1013 0.3614 0.3614 0.8621 0.8621 1.1473 1.1473 1.2326 1.2326 1.5590 1.5590 2.1615 2.1615 2.2605 2.2605 2.4809 2.4809 2.5151 2.5151 4.5894 4.5894 7.2282 7.2282 8.4135 8.4135 9.0243 9.0243 9.4251 9.4251 9.6833 9.6833 k = 0.0000 0.3409 0.7924 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8805 -15.8805 -15.8742 -15.8742 -11.6179 -11.6179 -11.2222 -11.2222 -11.1697 -11.1697 -11.1321 -11.1321 -4.8208 -4.8208 -4.7122 -4.7122 -3.5688 -3.5688 -3.4137 -3.4137 -3.3533 -3.3533 -3.2698 -3.2698 -1.6311 -1.6311 -1.4627 -1.4627 -0.7625 -0.7625 -0.2479 -0.2479 -0.0614 -0.0614 -0.0516 -0.0516 0.0959 0.0959 0.3728 0.3728 0.8733 0.8733 1.1503 1.1503 1.2349 1.2349 1.5418 1.5418 2.1571 2.1571 2.2563 2.2563 2.4765 2.4765 2.5139 2.5139 4.5777 4.5777 7.2704 7.2704 8.4076 8.4076 9.0474 9.0474 9.4752 9.4752 9.6711 9.6711 k = 0.0000 0.3636 0.7924 ( 20936 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8801 -15.8801 -15.8746 -15.8746 -11.6156 -11.6156 -11.2249 -11.2249 -11.1679 -11.1679 -11.1339 -11.1339 -4.8134 -4.8134 -4.7190 -4.7190 -3.5553 -3.5553 -3.4056 -3.4056 -3.3647 -3.3647 -3.2796 -3.2796 -1.6358 -1.6358 -1.4567 -1.4567 -0.7719 -0.7719 -0.2506 -0.2506 -0.0667 -0.0667 -0.0347 -0.0347 0.0910 0.0910 0.3829 0.3829 0.8834 0.8834 1.1534 1.1534 1.2371 1.2371 1.5256 1.5256 2.1529 2.1529 2.2524 2.2524 2.4725 2.4725 2.5129 2.5129 4.5671 4.5671 7.3117 7.3117 8.3981 8.3981 9.0679 9.0679 9.5264 9.5264 9.6324 9.6324 k = 0.0000 0.3864 0.7924 ( 20954 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8796 -15.8796 -15.8751 -15.8751 -11.6136 -11.6136 -11.2274 -11.2274 -11.1661 -11.1661 -11.1358 -11.1358 -4.8059 -4.8059 -4.7260 -4.7260 -3.5416 -3.5416 -3.3990 -3.3990 -3.3747 -3.3747 -3.2897 -3.2897 -1.6398 -1.6398 -1.4513 -1.4513 -0.7800 -0.7800 -0.2533 -0.2533 -0.0714 -0.0714 -0.0194 -0.0194 0.0869 0.0869 0.3917 0.3917 0.8924 0.8924 1.1563 1.1563 1.2392 1.2392 1.5110 1.5110 2.1490 2.1490 2.2489 2.2489 2.4690 2.4690 2.5121 2.5121 4.5579 4.5579 7.3511 7.3511 8.3855 8.3855 9.0856 9.0856 9.5760 9.5760 9.6031 9.6031 k = 0.0000 0.4091 0.7924 ( 20958 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8792 -15.8792 -15.8755 -15.8755 -11.6119 -11.6119 -11.2294 -11.2294 -11.1644 -11.1644 -11.1375 -11.1375 -4.7982 -4.7982 -4.7332 -4.7332 -3.5280 -3.5280 -3.3994 -3.3994 -3.3774 -3.3774 -3.2999 -3.2999 -1.6432 -1.6432 -1.4466 -1.4466 -0.7867 -0.7867 -0.2559 -0.2559 -0.0752 -0.0752 -0.0063 -0.0063 0.0834 0.0834 0.3991 0.3991 0.8999 0.8999 1.1589 1.1589 1.2412 1.2412 1.4983 1.4983 2.1456 2.1456 2.2460 2.2460 2.4659 2.4659 2.5115 2.5115 4.5501 4.5501 7.3870 7.3870 8.3710 8.3710 9.1004 9.1004 9.5787 9.5787 9.6258 9.6258 k = 0.0000 0.4318 0.7924 ( 20974 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8787 -15.8787 -15.8760 -15.8760 -11.6105 -11.6105 -11.2311 -11.2311 -11.1629 -11.1629 -11.1391 -11.1391 -4.7906 -4.7906 -4.7405 -4.7405 -3.5148 -3.5148 -3.4083 -3.4083 -3.3711 -3.3711 -3.3103 -3.3103 -1.6459 -1.6459 -1.4428 -1.4428 -0.7920 -0.7920 -0.2582 -0.2582 -0.0782 -0.0782 0.0043 0.0043 0.0806 0.0806 0.4049 0.4049 0.9059 0.9059 1.1611 1.1611 1.2428 1.2428 1.4879 1.4879 2.1428 2.1428 2.2436 2.2436 2.4635 2.4635 2.5110 2.5110 4.5439 4.5439 7.4177 7.4177 8.3565 8.3565 9.1122 9.1122 9.5641 9.5641 9.6671 9.6671 k = 0.0000 0.4545 0.7924 ( 20968 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8783 -15.8783 -15.8764 -15.8764 -11.6094 -11.6094 -11.2323 -11.2323 -11.1616 -11.1616 -11.1404 -11.1404 -4.7832 -4.7832 -4.7476 -4.7476 -3.5029 -3.5029 -3.4187 -3.4187 -3.3622 -3.3622 -3.3207 -3.3207 -1.6479 -1.6479 -1.4400 -1.4400 -0.7958 -0.7958 -0.2599 -0.2599 -0.0803 -0.0803 0.0121 0.0121 0.0786 0.0786 0.4090 0.4090 0.9102 0.9102 1.1628 1.1628 1.2441 1.2441 1.4802 1.4802 2.1407 2.1407 2.2418 2.2418 2.4618 2.4618 2.5107 2.5107 4.5394 4.5394 7.4414 7.4414 8.3439 8.3439 9.1207 9.1207 9.5551 9.5551 9.6998 9.6998 k = 0.0000 0.4773 0.7924 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8778 -15.8778 -15.8769 -15.8769 -11.6088 -11.6088 -11.2331 -11.2331 -11.1608 -11.1608 -11.1413 -11.1413 -4.7765 -4.7765 -4.7541 -4.7541 -3.4937 -3.4937 -3.4272 -3.4272 -3.3526 -3.3526 -3.3309 -3.3309 -1.6491 -1.6491 -1.4383 -1.4383 -0.7981 -0.7981 -0.2610 -0.2610 -0.0816 -0.0816 0.0169 0.0169 0.0773 0.0773 0.4116 0.4116 0.9129 0.9129 1.1638 1.1638 1.2449 1.2449 1.4754 1.4754 2.1394 2.1394 2.2407 2.2407 2.4607 2.4607 2.5105 2.5105 4.5367 4.5367 7.4565 7.4565 8.3354 8.3354 9.1259 9.1259 9.5504 9.5504 9.7209 9.7209 k = 0.0000 0.5000 0.7924 ( 21008 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8773 -15.8773 -11.6086 -11.6086 -11.2333 -11.2333 -11.1605 -11.1605 -11.1416 -11.1416 -4.7732 -4.7732 -4.7574 -4.7574 -3.4900 -3.4900 -3.4306 -3.4306 -3.3452 -3.3452 -3.3384 -3.3384 -1.6494 -1.6494 -1.4378 -1.4378 -0.7988 -0.7988 -0.2614 -0.2614 -0.0821 -0.0821 0.0185 0.0185 0.0769 0.0769 0.4124 0.4124 0.9138 0.9138 1.1642 1.1642 1.2452 1.2452 1.4738 1.4738 2.1390 2.1390 2.2404 2.2404 2.4604 2.4604 2.5104 2.5104 4.5357 4.5357 7.4617 7.4617 8.3323 8.3323 9.1277 9.1277 9.5490 9.5490 9.7282 9.7282 k = 0.0000 0.5000 0.7924 ( 21008 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8773 -15.8773 -11.6086 -11.6086 -11.2333 -11.2333 -11.1605 -11.1605 -11.1416 -11.1416 -4.7732 -4.7732 -4.7574 -4.7574 -3.4900 -3.4900 -3.4306 -3.4306 -3.3452 -3.3452 -3.3384 -3.3384 -1.6494 -1.6494 -1.4378 -1.4378 -0.7988 -0.7988 -0.2614 -0.2614 -0.0821 -0.0821 0.0185 0.0185 0.0769 0.0769 0.4124 0.4124 0.9138 0.9138 1.1642 1.1642 1.2452 1.2452 1.4738 1.4738 2.1390 2.1390 2.2404 2.2404 2.4604 2.4604 2.5104 2.5104 4.5357 4.5357 7.4617 7.4617 8.3323 8.3323 9.1277 9.1277 9.5490 9.5490 9.7282 9.7282 k = 0.0227 0.5000 0.7924 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8773 -15.8773 -11.6084 -11.6084 -11.2332 -11.2332 -11.1607 -11.1607 -11.1417 -11.1417 -4.7731 -4.7731 -4.7574 -4.7574 -3.4900 -3.4900 -3.4311 -3.4311 -3.3446 -3.3446 -3.3380 -3.3380 -1.6500 -1.6500 -1.4374 -1.4374 -0.8003 -0.8003 -0.2600 -0.2600 -0.0828 -0.0828 0.0190 0.0190 0.0743 0.0743 0.4153 0.4153 0.9147 0.9147 1.1643 1.1643 1.2452 1.2452 1.4730 1.4730 2.1389 2.1389 2.2400 2.2400 2.4602 2.4602 2.5102 2.5102 4.5341 4.5341 7.4634 7.4634 8.3344 8.3344 9.1304 9.1304 9.5483 9.5483 9.7294 9.7294 k = 0.0455 0.5000 0.7924 ( 20972 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8773 -15.8773 -11.6079 -11.6079 -11.2329 -11.2329 -11.1613 -11.1613 -11.1420 -11.1420 -4.7730 -4.7730 -4.7574 -4.7574 -3.4902 -3.4902 -3.4324 -3.4324 -3.3428 -3.3428 -3.3367 -3.3367 -1.6515 -1.6515 -1.4362 -1.4362 -0.8045 -0.8045 -0.2559 -0.2559 -0.0848 -0.0848 0.0201 0.0201 0.0669 0.0669 0.4236 0.4236 0.9175 0.9175 1.1648 1.1648 1.2454 1.2454 1.4705 1.4705 2.1387 2.1387 2.2389 2.2389 2.4598 2.4598 2.5096 2.5096 4.5293 4.5293 7.4683 7.4683 8.3407 8.3407 9.1386 9.1386 9.5459 9.5459 9.7328 9.7328 k = 0.0682 0.5000 0.7924 ( 20964 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8773 -15.8773 -11.6071 -11.6071 -11.2325 -11.2325 -11.1623 -11.1623 -11.1425 -11.1425 -4.7728 -4.7728 -4.7574 -4.7574 -3.4905 -3.4905 -3.4345 -3.4345 -3.3401 -3.3401 -3.3345 -3.3345 -1.6541 -1.6541 -1.4342 -1.4342 -0.8114 -0.8114 -0.2492 -0.2492 -0.0883 -0.0883 0.0219 0.0219 0.0555 0.0555 0.4365 0.4365 0.9221 0.9221 1.1655 1.1655 1.2457 1.2457 1.4664 1.4664 2.1384 2.1384 2.2370 2.2370 2.4591 2.4591 2.5085 2.5085 4.5214 4.5214 7.4765 7.4765 8.3511 8.3511 9.1519 9.1519 9.5420 9.5420 9.7381 9.7381 k = 0.0909 0.5000 0.7924 ( 20944 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.6059 -11.6059 -11.2319 -11.2319 -11.1638 -11.1638 -11.1432 -11.1432 -4.7726 -4.7726 -4.7574 -4.7574 -3.4908 -3.4908 -3.4371 -3.4371 -3.3369 -3.3369 -3.3312 -3.3312 -1.6576 -1.6576 -1.4315 -1.4315 -0.8208 -0.8208 -0.2399 -0.2399 -0.0929 -0.0929 0.0237 0.0237 0.0414 0.0414 0.4531 0.4531 0.9284 0.9284 1.1666 1.1666 1.2462 1.2462 1.4607 1.4607 2.1379 2.1379 2.2345 2.2345 2.4581 2.4581 2.5071 2.5071 4.5106 4.5106 7.4879 7.4879 8.3656 8.3656 9.1699 9.1699 9.5365 9.5365 9.7442 9.7442 k = 0.1136 0.5000 0.7924 ( 20948 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.6045 -11.6045 -11.2311 -11.2311 -11.1656 -11.1656 -11.1440 -11.1440 -4.7723 -4.7723 -4.7573 -4.7573 -3.4913 -3.4913 -3.4400 -3.4400 -3.3335 -3.3335 -3.3268 -3.3268 -1.6619 -1.6619 -1.4280 -1.4280 -0.8323 -0.8323 -0.2283 -0.2283 -0.0987 -0.0987 0.0205 0.0205 0.0306 0.0306 0.4724 0.4724 0.9362 0.9362 1.1681 1.1681 1.2469 1.2469 1.4536 1.4536 2.1372 2.1372 2.2313 2.2313 2.4569 2.4569 2.5053 2.5053 4.4971 4.4971 7.5025 7.5025 8.3843 8.3843 9.1921 9.1921 9.5293 9.5293 9.7500 9.7500 k = 0.1364 0.5000 0.7924 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.6027 -11.6027 -11.2301 -11.2301 -11.1677 -11.1677 -11.1450 -11.1450 -4.7719 -4.7719 -4.7572 -4.7572 -3.4918 -3.4918 -3.4430 -3.4430 -3.3298 -3.3298 -3.3216 -3.3216 -1.6670 -1.6670 -1.4240 -1.4240 -0.8457 -0.8457 -0.2145 -0.2145 -0.1055 -0.1055 0.0044 0.0044 0.0314 0.0314 0.4934 0.4934 0.9454 0.9454 1.1699 1.1699 1.2479 1.2479 1.4450 1.4450 2.1363 2.1363 2.2275 2.2275 2.4555 2.4555 2.5033 2.5033 4.4814 4.4814 7.5200 7.5200 8.4071 8.4071 9.2176 9.2176 9.5203 9.5203 9.7539 9.7539 k = 0.1591 0.5000 0.7924 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.6007 -11.6007 -11.2290 -11.2290 -11.1701 -11.1701 -11.1462 -11.1462 -4.7716 -4.7716 -4.7571 -4.7571 -3.4924 -3.4924 -3.4460 -3.4460 -3.3259 -3.3259 -3.3158 -3.3158 -1.6726 -1.6726 -1.4193 -1.4193 -0.8606 -0.8606 -0.1989 -0.1989 -0.1131 -0.1131 -0.0140 -0.0140 0.0338 0.0338 0.5156 0.5156 0.9557 0.9557 1.1721 1.1721 1.2491 1.2491 1.4351 1.4351 2.1351 2.1351 2.2232 2.2232 2.4537 2.4537 2.5011 2.5011 4.4638 4.4638 7.5404 7.5404 8.4339 8.4339 9.2457 9.2457 9.5095 9.5095 9.7540 9.7540 k = 0.1818 0.5000 0.7924 ( 20964 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.5985 -11.5985 -11.2277 -11.2277 -11.1728 -11.1728 -11.1476 -11.1476 -4.7712 -4.7712 -4.7569 -4.7569 -3.4931 -3.4931 -3.4489 -3.4489 -3.3218 -3.3218 -3.3096 -3.3096 -1.6787 -1.6787 -1.4142 -1.4142 -0.8765 -0.8765 -0.1817 -0.1817 -0.1214 -0.1214 -0.0327 -0.0327 0.0360 0.0360 0.5382 0.5382 0.9668 0.9668 1.1747 1.1747 1.2506 1.2506 1.4241 1.4241 2.1337 2.1337 2.2185 2.2185 2.4518 2.4518 2.4987 2.4987 4.4446 4.4446 7.5634 7.5634 8.4648 8.4648 9.2754 9.2754 9.4966 9.4966 9.7493 9.7493 k = 0.2045 0.5000 0.7924 ( 20984 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.5962 -11.5962 -11.2263 -11.2263 -11.1757 -11.1757 -11.1491 -11.1491 -4.7709 -4.7709 -4.7567 -4.7567 -3.4939 -3.4939 -3.4516 -3.4516 -3.3176 -3.3176 -3.3032 -3.3032 -1.6851 -1.6851 -1.4086 -1.4086 -0.8932 -0.8932 -0.1634 -0.1634 -0.1303 -0.1303 -0.0509 -0.0509 0.0378 0.0378 0.5609 0.5609 0.9787 0.9787 1.1777 1.1777 1.2525 1.2525 1.4121 1.4121 2.1319 2.1319 2.2133 2.2133 2.4497 2.4497 2.4962 2.4962 4.4244 4.4244 7.5890 7.5890 8.4997 8.4997 9.3056 9.3056 9.4817 9.4817 9.7396 9.7396 k = 0.2273 0.5000 0.7924 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.5937 -11.5937 -11.2248 -11.2248 -11.1787 -11.1787 -11.1507 -11.1507 -4.7706 -4.7706 -4.7564 -4.7564 -3.4948 -3.4948 -3.4540 -3.4540 -3.3132 -3.3132 -3.2968 -3.2968 -1.6917 -1.6917 -1.4027 -1.4027 -0.9103 -0.9103 -0.1457 -0.1457 -0.1380 -0.1380 -0.0684 -0.0684 0.0390 0.0390 0.5833 0.5833 0.9910 0.9910 1.1810 1.1810 1.2546 1.2546 1.3993 1.3993 2.1298 2.1298 2.2080 2.2080 2.4474 2.4474 2.4938 2.4938 4.4035 4.4035 7.6167 7.6167 8.5385 8.5385 9.3354 9.3354 9.4648 9.4648 9.7257 9.7257 k = 0.2500 0.5000 0.7924 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.5910 -11.5910 -11.2232 -11.2232 -11.1818 -11.1818 -11.1525 -11.1525 -4.7703 -4.7703 -4.7560 -4.7560 -3.4958 -3.4958 -3.4561 -3.4561 -3.3088 -3.3088 -3.2905 -3.2905 -1.6983 -1.6983 -1.3967 -1.3967 -0.9274 -0.9274 -0.1504 -0.1504 -0.1233 -0.1233 -0.0846 -0.0846 0.0395 0.0395 0.6050 0.6050 1.0034 1.0034 1.1847 1.1847 1.2570 1.2570 1.3860 1.3860 2.1274 2.1274 2.2025 2.2025 2.4449 2.4449 2.4914 2.4914 4.3824 4.3824 7.6462 7.6462 8.5812 8.5812 9.3634 9.3634 9.4460 9.4460 9.7093 9.7093 k = 0.2727 0.5000 0.7924 ( 21000 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.5884 -11.5884 -11.2216 -11.2216 -11.1849 -11.1849 -11.1543 -11.1543 -4.7701 -4.7701 -4.7557 -4.7557 -3.4968 -3.4968 -3.4578 -3.4578 -3.3045 -3.3045 -3.2843 -3.2843 -1.7048 -1.7048 -1.3905 -1.3905 -0.9441 -0.9441 -0.1602 -0.1602 -0.1057 -0.1057 -0.0972 -0.0972 0.0394 0.0394 0.6257 0.6257 1.0157 1.0157 1.1886 1.1886 1.2595 1.2595 1.3723 1.3723 2.1248 2.1248 2.1969 2.1969 2.4423 2.4423 2.4892 2.4892 4.3615 4.3615 7.6772 7.6772 8.6277 8.6277 9.3868 9.3868 9.4276 9.4276 9.6915 9.6915 k = 0.2955 0.5000 0.7924 ( 21004 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5858 -11.5858 -11.2199 -11.2199 -11.1879 -11.1879 -11.1562 -11.1562 -4.7700 -4.7700 -4.7553 -4.7553 -3.4979 -3.4979 -3.4592 -3.4592 -3.3003 -3.3003 -3.2784 -3.2784 -1.7110 -1.7110 -1.3844 -1.3844 -0.9603 -0.9603 -0.1702 -0.1702 -0.1143 -0.1143 -0.0821 -0.0821 0.0386 0.0386 0.6452 0.6452 1.0277 1.0277 1.1927 1.1927 1.2621 1.2621 1.3587 1.3587 2.1219 2.1219 2.1914 2.1914 2.4396 2.4396 2.4871 2.4871 4.3412 4.3412 7.7091 7.7091 8.6779 8.6779 9.3886 9.3886 9.4261 9.4261 9.6736 9.6736 k = 0.3182 0.5000 0.7924 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.5832 -11.5832 -11.2183 -11.2183 -11.1908 -11.1908 -11.1581 -11.1581 -4.7699 -4.7699 -4.7548 -4.7548 -3.4990 -3.4990 -3.4603 -3.4603 -3.2963 -3.2963 -3.2728 -3.2728 -1.7169 -1.7169 -1.3785 -1.3785 -0.9755 -0.9755 -0.1801 -0.1801 -0.1261 -0.1261 -0.0629 -0.0629 0.0374 0.0374 0.6632 0.6632 1.0392 1.0392 1.1970 1.1970 1.2645 1.2645 1.3455 1.3455 2.1189 2.1189 2.1862 2.1862 2.4370 2.4370 2.4853 2.4853 4.3220 4.3220 7.7414 7.7414 8.7316 8.7316 9.3665 9.3665 9.4435 9.4435 9.6563 9.6563 k = 0.3409 0.5000 0.7924 ( 20980 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8773 -15.8773 -15.8773 -15.8773 -11.5807 -11.5807 -11.2168 -11.2168 -11.1934 -11.1934 -11.1601 -11.1601 -4.7698 -4.7698 -4.7544 -4.7544 -3.5001 -3.5001 -3.4611 -3.4611 -3.2927 -3.2927 -3.2677 -3.2677 -1.7224 -1.7224 -1.3729 -1.3729 -0.9896 -0.9896 -0.1895 -0.1895 -0.1365 -0.1365 -0.0444 -0.0444 0.0357 0.0357 0.6797 0.6797 1.0499 1.0499 1.2015 1.2015 1.2664 1.2664 1.3331 1.3331 2.1159 2.1159 2.1812 2.1812 2.4344 2.4344 2.4836 2.4836 4.3042 4.3042 7.7734 7.7734 8.7887 8.7887 9.3397 9.3397 9.4613 9.4613 9.6402 9.6402 k = 0.3636 0.5000 0.7924 ( 21004 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5785 -11.5785 -11.2154 -11.2154 -11.1957 -11.1957 -11.1619 -11.1619 -4.7698 -4.7698 -4.7540 -4.7540 -3.5011 -3.5011 -3.4617 -3.4617 -3.2893 -3.2893 -3.2631 -3.2631 -1.7274 -1.7274 -1.3677 -1.3677 -1.0023 -1.0023 -0.1983 -0.1983 -0.1454 -0.1454 -0.0273 -0.0273 0.0338 0.0338 0.6943 0.6943 1.0596 1.0596 1.2060 1.2060 1.2671 1.2671 1.3224 1.3224 2.1129 2.1129 2.1766 2.1766 2.4320 2.4320 2.4823 2.4823 4.2880 4.2880 7.8042 7.8042 8.8489 8.8489 9.3116 9.3116 9.4769 9.4769 9.6257 9.6257 k = 0.3864 0.5000 0.7924 ( 21016 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5765 -11.5765 -11.2143 -11.2143 -11.1975 -11.1975 -11.1637 -11.1637 -4.7698 -4.7698 -4.7536 -4.7536 -3.5020 -3.5020 -3.4621 -3.4621 -3.2864 -3.2864 -3.2590 -3.2590 -1.7317 -1.7317 -1.3631 -1.3631 -1.0134 -1.0134 -0.2062 -0.2062 -0.1528 -0.1528 -0.0120 -0.0120 0.0318 0.0318 0.7069 0.7069 1.0682 1.0682 1.2105 1.2105 1.2660 1.2660 1.3140 1.3140 2.1101 2.1101 2.1726 2.1726 2.4297 2.4297 2.4811 2.4811 4.2738 4.2738 7.8330 7.8330 8.9120 8.9120 9.2839 9.2839 9.4898 9.4898 9.6130 9.6130 k = 0.4091 0.5000 0.7924 ( 21020 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5747 -11.5747 -11.2135 -11.2135 -11.1988 -11.1988 -11.1654 -11.1654 -4.7698 -4.7698 -4.7533 -4.7533 -3.5028 -3.5028 -3.4624 -3.4624 -3.2840 -3.2840 -3.2556 -3.2556 -1.7353 -1.7353 -1.3591 -1.3591 -1.0227 -1.0227 -0.2129 -0.2129 -0.1588 -0.1588 0.0011 0.0011 0.0299 0.0299 0.7174 0.7174 1.0755 1.0755 1.2153 1.2153 1.2626 1.2626 1.3086 1.3086 2.1075 2.1075 2.1692 2.1692 2.4278 2.4278 2.4802 2.4802 4.2619 4.2619 7.8586 7.8586 8.9775 8.9775 9.2582 9.2582 9.5000 9.5000 9.6007 9.6007 k = 0.4318 0.5000 0.7924 ( 21016 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5733 -11.5733 -11.2131 -11.2131 -11.1995 -11.1995 -11.1668 -11.1668 -4.7698 -4.7698 -4.7530 -4.7530 -3.5034 -3.5034 -3.4626 -3.4626 -3.2820 -3.2820 -3.2529 -3.2529 -1.7382 -1.7382 -1.3559 -1.3559 -1.0301 -1.0301 -0.2182 -0.2182 -0.1634 -0.1634 0.0117 0.0117 0.0283 0.0283 0.7257 0.7257 1.0813 1.0813 1.2202 1.2202 1.2572 1.2572 1.3057 1.3057 2.1055 2.1055 2.1664 2.1664 2.4262 2.4262 2.4795 2.4795 4.2524 4.2524 7.8801 7.8801 9.0442 9.0442 9.2363 9.2363 9.5069 9.5069 9.5367 9.5367 k = 0.4545 0.5000 0.7924 ( 21020 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5723 -11.5723 -11.2129 -11.2129 -11.1998 -11.1998 -11.1678 -11.1678 -4.7698 -4.7698 -4.7528 -4.7528 -3.5039 -3.5039 -3.4627 -3.4627 -3.2806 -3.2806 -3.2509 -3.2509 -1.7403 -1.7403 -1.3536 -1.3536 -1.0355 -1.0355 -0.2222 -0.2222 -0.1667 -0.1667 0.0194 0.0194 0.0271 0.0271 0.7317 0.7317 1.0856 1.0856 1.2253 1.2253 1.2507 1.2507 1.3046 1.3046 2.1039 2.1039 2.1644 2.1644 2.4250 2.4250 2.4790 2.4790 4.2455 4.2455 7.8964 7.8964 9.1097 9.1097 9.2204 9.2204 9.4623 9.4623 9.5142 9.5142 k = 0.4773 0.5000 0.7924 ( 21028 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5717 -11.5717 -11.2129 -11.2129 -11.1999 -11.1999 -11.1685 -11.1685 -4.7698 -4.7698 -4.7527 -4.7527 -3.5042 -3.5042 -3.4628 -3.4628 -3.2797 -3.2797 -3.2498 -3.2498 -1.7415 -1.7415 -1.3521 -1.3521 -1.0387 -1.0387 -0.2246 -0.2246 -0.1687 -0.1687 0.0239 0.0239 0.0265 0.0265 0.7353 0.7353 1.0881 1.0881 1.2308 1.2308 1.2440 1.2440 1.3043 1.3043 2.1029 2.1029 2.1632 2.1632 2.4243 2.4243 2.4787 2.4787 4.2413 4.2413 7.9065 7.9065 9.1644 9.1644 9.2156 9.2156 9.3982 9.3982 9.5171 9.5171 k = 0.5000 0.5000 0.7924 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5715 -11.5715 -11.2129 -11.2129 -11.1999 -11.1999 -11.1688 -11.1688 -4.7698 -4.7698 -4.7526 -4.7526 -3.5043 -3.5043 -3.4628 -3.4628 -3.2794 -3.2794 -3.2494 -3.2494 -1.7420 -1.7420 -1.3517 -1.3517 -1.0398 -1.0398 -0.2254 -0.2254 -0.1694 -0.1694 0.0250 0.0250 0.0268 0.0268 0.7365 0.7365 1.0890 1.0890 1.2353 1.2353 1.2391 1.2391 1.3042 1.3042 2.1026 2.1026 2.1628 2.1628 2.4241 2.4241 2.4786 2.4786 4.2399 4.2399 7.9100 7.9100 9.1826 9.1826 9.2246 9.2246 9.3660 9.3660 9.5181 9.5181 k = 0.5000 0.5000 0.7924 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5715 -11.5715 -11.2129 -11.2129 -11.1999 -11.1999 -11.1688 -11.1688 -4.7698 -4.7698 -4.7526 -4.7526 -3.5043 -3.5043 -3.4628 -3.4628 -3.2794 -3.2794 -3.2494 -3.2494 -1.7420 -1.7420 -1.3517 -1.3517 -1.0398 -1.0398 -0.2254 -0.2254 -0.1694 -0.1694 0.0250 0.0250 0.0268 0.0268 0.7365 0.7365 1.0890 1.0890 1.2353 1.2353 1.2391 1.2391 1.3042 1.3042 2.1026 2.1026 2.1628 2.1628 2.4241 2.4241 2.4786 2.4786 4.2399 4.2399 7.9100 7.9100 9.1826 9.1826 9.2246 9.2246 9.3660 9.3660 9.5181 9.5181 k = 0.4833 0.4833 0.7924 ( 21020 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5717 -11.5717 -11.2129 -11.2129 -11.1999 -11.1999 -11.1685 -11.1685 -4.7698 -4.7698 -4.7526 -4.7526 -3.5042 -3.5042 -3.4627 -3.4627 -3.2797 -3.2797 -3.2498 -3.2498 -1.7415 -1.7415 -1.3522 -1.3522 -1.0387 -1.0387 -0.2245 -0.2245 -0.1687 -0.1687 0.0243 0.0243 0.0261 0.0261 0.7352 0.7352 1.0881 1.0881 1.2306 1.2306 1.2443 1.2443 1.3043 1.3043 2.1029 2.1029 2.1632 2.1632 2.4243 2.4243 2.4787 2.4787 4.2414 4.2414 7.9062 7.9062 9.1640 9.1640 9.2141 9.2141 9.4005 9.4005 9.5170 9.5170 k = 0.4667 0.4667 0.7924 ( 21028 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8774 -15.8774 -15.8773 -15.8773 -11.5724 -11.5724 -11.2129 -11.2129 -11.1999 -11.1999 -11.1678 -11.1678 -4.7699 -4.7699 -4.7527 -4.7527 -3.5040 -3.5040 -3.4626 -3.4626 -3.2808 -3.2808 -3.2509 -3.2509 -1.7401 -1.7401 -1.3537 -1.3537 -1.0352 -1.0352 -0.2220 -0.2220 -0.1665 -0.1665 0.0222 0.0222 0.0239 0.0239 0.7313 0.7313 1.0853 1.0853 1.2249 1.2249 1.2513 1.2513 1.3047 1.3047 2.1040 2.1040 2.1645 2.1645 2.4251 2.4251 2.4790 2.4790 4.2460 4.2460 7.8951 7.8951 9.1104 9.1104 9.2144 9.2144 9.4693 9.4693 9.5138 9.5138 k = 0.4500 0.4500 0.7924 ( 21026 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8775 -15.8775 -15.8772 -15.8772 -11.5735 -11.5735 -11.2127 -11.2127 -11.1998 -11.1998 -11.1665 -11.1665 -4.7702 -4.7702 -4.7526 -4.7526 -3.5039 -3.5039 -3.4620 -3.4620 -3.2828 -3.2828 -3.2525 -3.2525 -1.7379 -1.7379 -1.3563 -1.3563 -1.0294 -1.0294 -0.2178 -0.2178 -0.1629 -0.1629 0.0187 0.0187 0.0203 0.0203 0.7249 0.7249 1.0807 1.0807 1.2194 1.2194 1.2582 1.2582 1.3060 1.3060 2.1057 2.1057 2.1667 2.1667 2.4264 2.4264 2.4796 2.4796 4.2534 4.2534 7.8768 7.8768 9.0482 9.0482 9.2237 9.2237 9.5050 9.5050 9.5503 9.5503 k = 0.4333 0.4333 0.7924 ( 21034 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8776 -15.8776 -15.8770 -15.8770 -11.5750 -11.5750 -11.2126 -11.2126 -11.1997 -11.1997 -11.1649 -11.1649 -4.7711 -4.7711 -4.7520 -4.7520 -3.5044 -3.5044 -3.4607 -3.4607 -3.2862 -3.2862 -3.2540 -3.2540 -1.7348 -1.7348 -1.3598 -1.3598 -1.0214 -1.0214 -0.2122 -0.2122 -0.1578 -0.1578 0.0138 0.0138 0.0155 0.0155 0.7159 0.7159 1.0743 1.0743 1.2140 1.2140 1.2638 1.2638 1.3095 1.3095 2.1081 2.1081 2.1697 2.1697 2.4282 2.4282 2.4803 2.4803 4.2637 4.2637 7.8516 7.8516 8.9870 8.9870 9.2381 9.2381 9.4955 9.4955 9.6069 9.6069 k = 0.4167 0.4167 0.7924 ( 21022 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8778 -15.8778 -15.8769 -15.8769 -11.5770 -11.5770 -11.2124 -11.2124 -11.1996 -11.1996 -11.1629 -11.1629 -4.7727 -4.7727 -4.7508 -4.7508 -3.5058 -3.5058 -3.4583 -3.4583 -3.2912 -3.2912 -3.2551 -3.2551 -1.7308 -1.7308 -1.3643 -1.3643 -1.0113 -1.0113 -0.2054 -0.2054 -0.1509 -0.1509 0.0074 0.0074 0.0095 0.0095 0.7046 0.7046 1.0663 1.0663 1.2087 1.2087 1.2669 1.2669 1.3165 1.3165 2.1112 2.1112 2.1735 2.1735 2.4305 2.4305 2.4812 2.4812 4.2766 4.2766 7.8200 7.8200 8.9290 8.9290 9.2571 9.2571 9.4820 9.4820 9.6204 9.6204 k = 0.4000 0.4000 0.7924 ( 21016 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8780 -15.8780 -15.8767 -15.8767 -11.5793 -11.5793 -11.2121 -11.2121 -11.1993 -11.1993 -11.1607 -11.1607 -4.7751 -4.7751 -4.7488 -4.7488 -3.5084 -3.5084 -3.4544 -3.4544 -3.2980 -3.2980 -3.2555 -3.2555 -1.7260 -1.7260 -1.3697 -1.3697 -0.9993 -0.9993 -0.1977 -0.1977 -0.1424 -0.1424 -0.0004 -0.0004 0.0024 0.0024 0.6909 0.6909 1.0566 1.0566 1.2035 1.2035 1.2673 1.2673 1.3274 1.3274 2.1147 2.1147 2.1780 2.1780 2.4332 2.4332 2.4823 2.4823 4.2920 4.2920 7.7827 7.7827 8.8749 8.8749 9.2804 9.2804 9.4651 9.4651 9.6357 9.6357 k = 0.3833 0.3833 0.7924 ( 21028 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8782 -15.8782 -15.8765 -15.8765 -11.5820 -11.5820 -11.2117 -11.2117 -11.1989 -11.1989 -11.1582 -11.1582 -4.7784 -4.7784 -4.7460 -4.7460 -3.5123 -3.5123 -3.4490 -3.4490 -3.3063 -3.3063 -3.2552 -3.2552 -1.7205 -1.7205 -1.3759 -1.3759 -0.9854 -0.9854 -0.1892 -0.1892 -0.1321 -0.1321 -0.0094 -0.0094 -0.0058 -0.0058 0.6750 0.6750 1.0454 1.0454 1.1981 1.1981 1.2655 1.2655 1.3416 1.3416 2.1187 2.1187 2.1832 2.1832 2.4364 2.4364 2.4836 2.4836 4.3098 4.3098 7.7403 7.7403 8.8250 8.8250 9.3079 9.3079 9.4450 9.4450 9.6516 9.6516 k = 0.3667 0.3667 0.7924 ( 21020 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8784 -15.8784 -15.8763 -15.8763 -11.5849 -11.5849 -11.2112 -11.2112 -11.1984 -11.1984 -11.1555 -11.1555 -4.7824 -4.7824 -4.7427 -4.7427 -3.5175 -3.5175 -3.4422 -3.4422 -3.3159 -3.3159 -3.2542 -3.2542 -1.7142 -1.7142 -1.3829 -1.3829 -0.9699 -0.9699 -0.1801 -0.1801 -0.1200 -0.1200 -0.0194 -0.0194 -0.0150 -0.0150 0.6570 0.6570 1.0329 1.0329 1.1926 1.1926 1.2625 1.2625 1.3583 1.3583 2.1232 2.1232 2.1889 2.1889 2.4400 2.4400 2.4851 2.4851 4.3295 4.3295 7.6938 7.6938 8.7789 8.7789 9.3394 9.3394 9.4219 9.4219 9.6659 9.6659 k = 0.3500 0.3500 0.7924 ( 21012 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8787 -15.8787 -15.8760 -15.8760 -11.5882 -11.5882 -11.2106 -11.2106 -11.1978 -11.1978 -11.1527 -11.1527 -4.7869 -4.7869 -4.7388 -4.7388 -3.5238 -3.5238 -3.4342 -3.4342 -3.3264 -3.3264 -3.2528 -3.2528 -1.7073 -1.7073 -1.3905 -1.3905 -0.9529 -0.9529 -0.1706 -0.1706 -0.1062 -0.1062 -0.0304 -0.0304 -0.0253 -0.0253 0.6372 0.6372 1.0190 1.0190 1.1871 1.1871 1.2587 1.2587 1.3769 1.3769 2.1280 2.1280 2.1952 2.1952 2.4440 2.4440 2.4868 2.4868 4.3511 4.3511 7.6440 7.6440 8.7365 8.7365 9.3739 9.3739 9.3970 9.3970 9.6753 9.6753 k = 0.3333 0.3333 0.7924 ( 20978 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8790 -15.8790 -15.8757 -15.8757 -11.5916 -11.5916 -11.2100 -11.2100 -11.1970 -11.1970 -11.1499 -11.1499 -4.7920 -4.7920 -4.7345 -4.7345 -3.5310 -3.5310 -3.4253 -3.4253 -3.3375 -3.3375 -3.2509 -3.2509 -1.6998 -1.6998 -1.3988 -1.3988 -0.9347 -0.9347 -0.1607 -0.1607 -0.0911 -0.0911 -0.0422 -0.0422 -0.0364 -0.0364 0.6156 0.6156 1.0040 1.0040 1.1815 1.1815 1.2546 1.2546 1.3970 1.3970 2.1330 2.1330 2.2019 2.2019 2.4483 2.4483 2.4886 2.4886 4.3741 4.3741 7.5917 7.5917 8.6974 8.6974 9.3655 9.3655 9.4160 9.4160 9.6755 9.6755 k = 0.3167 0.3167 0.7924 ( 20984 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8793 -15.8793 -15.8754 -15.8754 -11.5953 -11.5953 -11.2092 -11.2092 -11.1962 -11.1962 -11.1470 -11.1470 -4.7974 -4.7974 -4.7298 -4.7298 -3.5391 -3.5391 -3.4156 -3.4156 -3.3488 -3.3488 -3.2487 -3.2487 -1.6918 -1.6918 -1.4075 -1.4075 -0.9153 -0.9153 -0.1505 -0.1505 -0.0755 -0.0755 -0.0543 -0.0543 -0.0480 -0.0480 0.5926 0.5926 0.9880 0.9880 1.1759 1.1759 1.2504 1.2504 1.4183 1.4183 2.1382 2.1382 2.2089 2.2089 2.4529 2.4529 2.4907 2.4907 4.3983 4.3983 7.5378 7.5378 8.6613 8.6613 9.3341 9.3341 9.4589 9.4589 9.6625 9.6625 k = 0.3000 0.3000 0.7924 ( 20978 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8796 -15.8796 -15.8751 -15.8751 -11.5990 -11.5990 -11.2083 -11.2083 -11.1953 -11.1953 -11.1441 -11.1441 -4.8032 -4.8032 -4.7249 -4.7249 -3.5478 -3.5478 -3.4058 -3.4058 -3.3598 -3.3598 -3.2462 -3.2462 -1.6833 -1.6833 -1.4166 -1.4166 -0.8951 -0.8951 -0.1398 -0.1398 -0.0702 -0.0702 -0.0634 -0.0634 -0.0527 -0.0527 0.5682 0.5682 0.9711 0.9711 1.1704 1.1704 1.2463 1.2463 1.4405 1.4405 2.1434 2.1434 2.2162 2.2162 2.4578 2.4578 2.4929 2.4929 4.4234 4.4234 7.4831 7.4831 8.6278 8.6278 9.2997 9.2997 9.5056 9.5056 9.6355 9.6355 k = 0.2833 0.2833 0.7924 ( 20962 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8799 -15.8799 -15.8748 -15.8748 -11.6029 -11.6029 -11.2074 -11.2074 -11.1943 -11.1943 -11.1413 -11.1413 -4.8093 -4.8093 -4.7198 -4.7198 -3.5571 -3.5571 -3.3971 -3.3971 -3.3690 -3.3690 -3.2434 -3.2434 -1.6745 -1.6745 -1.4261 -1.4261 -0.8742 -0.8742 -0.1290 -0.1290 -0.0826 -0.0826 -0.0755 -0.0755 -0.0369 -0.0369 0.5427 0.5427 0.9535 0.9535 1.1651 1.1651 1.2423 1.2423 1.4634 1.4634 2.1487 2.1487 2.2236 2.2236 2.4629 2.4629 2.4953 2.4953 4.4491 4.4491 7.4282 7.4282 8.5967 8.5967 9.2625 9.2625 9.5541 9.5541 9.5987 9.5987 k = 0.2667 0.2667 0.7924 ( 20962 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8803 -15.8803 -15.8744 -15.8744 -11.6068 -11.6068 -11.2063 -11.2063 -11.1933 -11.1933 -11.1385 -11.1385 -4.8155 -4.8155 -4.7145 -4.7145 -3.5669 -3.5669 -3.3949 -3.3949 -3.3711 -3.3711 -3.2403 -3.2403 -1.6654 -1.6654 -1.4357 -1.4357 -0.8527 -0.8527 -0.1183 -0.1183 -0.0959 -0.0959 -0.0892 -0.0892 -0.0186 -0.0186 0.5164 0.5164 0.9354 0.9354 1.1600 1.1600 1.2387 1.2387 1.4866 1.4866 2.1538 2.1538 2.2311 2.2311 2.4682 2.4682 2.4979 2.4979 4.4750 4.4750 7.3739 7.3739 8.5677 8.5677 9.2226 9.2226 9.5480 9.5480 9.6126 9.6126 k = 0.2500 0.2500 0.7924 ( 20954 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8806 -15.8806 -15.8741 -15.8741 -11.6106 -11.6106 -11.2053 -11.2053 -11.1922 -11.1922 -11.1358 -11.1358 -4.8219 -4.8219 -4.7091 -4.7091 -3.5771 -3.5771 -3.4018 -3.4018 -3.3636 -3.3636 -3.2370 -3.2370 -1.6562 -1.6562 -1.4454 -1.4454 -0.8310 -0.8310 -0.1156 -0.1156 -0.1035 -0.1035 -0.1012 -0.1012 0.0002 0.0002 0.4895 0.4895 0.9169 0.9169 1.1552 1.1552 1.2353 1.2353 1.5099 1.5099 2.1588 2.1588 2.2386 2.2386 2.4736 2.4736 2.5006 2.5006 4.5009 4.5009 7.3207 7.3207 8.5406 8.5406 9.1802 9.1802 9.5010 9.5010 9.6672 9.6672 k = 0.2333 0.2333 0.7924 ( 20954 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8809 -15.8809 -15.8737 -15.8737 -11.6145 -11.6145 -11.2041 -11.2041 -11.1911 -11.1911 -11.1333 -11.1333 -4.8282 -4.8282 -4.7038 -4.7038 -3.5875 -3.5875 -3.4112 -3.4112 -3.3528 -3.3528 -3.2335 -3.2335 -1.6468 -1.6468 -1.4551 -1.4551 -0.8091 -0.8091 -0.1285 -0.1285 -0.1177 -0.1177 -0.0912 -0.0912 0.0189 0.0189 0.4622 0.4622 0.8983 0.8983 1.1508 1.1508 1.2323 1.2323 1.5331 1.5331 2.1636 2.1636 2.2460 2.2460 2.4790 2.4790 2.5035 2.5035 4.5264 4.5264 7.2690 7.2690 8.5155 8.5155 9.1358 9.1358 9.4534 9.4534 9.6837 9.6837 k = 0.2167 0.2167 0.7924 ( 20944 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8813 -15.8813 -15.8734 -15.8734 -11.6182 -11.6182 -11.2030 -11.2030 -11.1900 -11.1900 -11.1309 -11.1309 -4.8345 -4.8345 -4.6984 -4.6984 -3.5980 -3.5980 -3.4208 -3.4208 -3.3414 -3.3414 -3.2298 -3.2298 -1.6375 -1.6375 -1.4646 -1.4646 -0.7873 -0.7873 -0.1435 -0.1435 -0.1321 -0.1321 -0.0789 -0.0789 0.0374 0.0374 0.4348 0.4348 0.8796 0.8796 1.1468 1.1468 1.2297 1.2297 1.5560 1.5560 2.1680 2.1680 2.2532 2.2532 2.4844 2.4844 2.5065 2.5065 4.5513 4.5513 7.2194 7.2194 8.4921 8.4921 9.0900 9.0900 9.4079 9.4079 9.6165 9.6165 k = 0.2000 0.2000 0.7924 ( 20952 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8816 -15.8816 -15.8731 -15.8731 -11.6219 -11.6219 -11.2018 -11.2018 -11.1889 -11.1889 -11.1286 -11.1286 -4.8407 -4.8407 -4.6932 -4.6932 -3.6084 -3.6084 -3.4300 -3.4300 -3.3299 -3.3299 -3.2259 -3.2259 -1.6282 -1.6282 -1.4739 -1.4739 -0.7657 -0.7657 -0.1587 -0.1587 -0.1464 -0.1464 -0.0659 -0.0659 0.0554 0.0554 0.4075 0.4075 0.8611 0.8611 1.1432 1.1432 1.2275 1.2275 1.5783 1.5783 2.1722 2.1722 2.2602 2.2602 2.4898 2.4898 2.5095 2.5095 4.5754 4.5754 7.1721 7.1721 8.4704 8.4704 9.0435 9.0435 9.3655 9.3655 9.5507 9.5507 k = 0.1833 0.1833 0.7924 ( 20948 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8819 -15.8819 -15.8728 -15.8728 -11.6254 -11.6254 -11.2007 -11.2007 -11.1877 -11.1877 -11.1265 -11.1265 -4.8467 -4.8467 -4.6882 -4.6882 -3.6187 -3.6187 -3.4387 -3.4387 -3.3187 -3.3187 -3.2218 -3.2218 -1.6192 -1.6192 -1.4829 -1.4829 -0.7445 -0.7445 -0.1740 -0.1740 -0.1605 -0.1605 -0.0526 -0.0526 0.0727 0.0727 0.3805 0.3805 0.8430 0.8430 1.1401 1.1401 1.2256 1.2256 1.5998 1.5998 2.1759 2.1759 2.2669 2.2669 2.4951 2.4951 2.5126 2.5126 4.5983 4.5983 7.1276 7.1276 8.4504 8.4504 8.9973 8.9973 9.3267 9.3267 9.4880 9.4880 k = 0.1667 0.1667 0.7924 ( 20948 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8822 -15.8822 -15.8725 -15.8725 -11.6287 -11.6287 -11.1996 -11.1996 -11.1866 -11.1866 -11.1245 -11.1245 -4.8525 -4.8525 -4.6834 -4.6834 -3.6286 -3.6286 -3.4466 -3.4466 -3.3081 -3.3081 -3.2176 -3.2176 -1.6105 -1.6105 -1.4914 -1.4914 -0.7238 -0.7238 -0.1890 -0.1890 -0.1743 -0.1743 -0.0391 -0.0391 0.0891 0.0891 0.3541 0.3541 0.8254 0.8254 1.1375 1.1375 1.2241 1.2241 1.6203 1.6203 2.1793 2.1793 2.2733 2.2733 2.5002 2.5002 2.5157 2.5157 4.6198 4.6198 7.0861 7.0861 8.4320 8.4320 8.9523 8.9523 9.2915 9.2915 9.4292 9.4292 k = 0.1500 0.1500 0.7924 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8825 -15.8825 -15.8722 -15.8722 -11.6317 -11.6317 -11.1985 -11.1985 -11.1856 -11.1856 -11.1228 -11.1228 -4.8579 -4.8579 -4.6789 -4.6789 -3.6381 -3.6381 -3.4537 -3.4537 -3.2983 -3.2983 -3.2134 -3.2134 -1.6022 -1.6022 -1.4993 -1.4993 -0.7040 -0.7040 -0.2035 -0.2035 -0.1877 -0.1877 -0.0253 -0.0253 0.1044 0.1044 0.3285 0.3285 0.8086 0.8086 1.1352 1.1352 1.2230 1.2230 1.6395 1.6395 2.1822 2.1822 2.2793 2.2793 2.5051 2.5051 2.5188 2.5188 4.6398 4.6398 7.0478 7.0478 8.4154 8.4154 8.9096 8.9096 9.2599 9.2599 9.3746 9.3746 k = 0.1333 0.1333 0.7924 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8828 -15.8828 -15.8719 -15.8719 -11.6346 -11.6346 -11.1975 -11.1975 -11.1846 -11.1846 -11.1212 -11.1212 -4.8629 -4.8629 -4.6747 -4.6747 -3.6470 -3.6470 -3.4601 -3.4601 -3.2893 -3.2893 -3.2091 -3.2091 -1.5944 -1.5944 -1.5067 -1.5067 -0.6851 -0.6851 -0.2174 -0.2174 -0.2004 -0.2004 -0.0115 -0.0115 0.1186 0.1186 0.3038 0.3038 0.7928 0.7928 1.1334 1.1334 1.2221 1.2221 1.6572 1.6572 2.1848 2.1848 2.2847 2.2847 2.5096 2.5096 2.5217 2.5217 4.6581 4.6581 7.0130 7.0130 8.4004 8.4004 8.8697 8.8697 9.2317 9.2317 9.3248 9.3248 k = 0.1167 0.1167 0.7924 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8830 -15.8830 -15.8717 -15.8717 -11.6371 -11.6371 -11.1966 -11.1966 -11.1837 -11.1837 -11.1198 -11.1198 -4.8675 -4.8675 -4.6709 -4.6709 -3.6551 -3.6551 -3.4658 -3.4658 -3.2813 -3.2813 -3.2048 -3.2048 -1.5873 -1.5873 -1.5133 -1.5133 -0.6675 -0.6675 -0.2305 -0.2305 -0.2124 -0.2124 0.0024 0.0024 0.1313 0.1313 0.2803 0.2803 0.7782 0.7782 1.1319 1.1319 1.2215 1.2215 1.6734 1.6734 2.1870 2.1870 2.2897 2.2897 2.5138 2.5138 2.5245 2.5245 4.6746 4.6746 6.9819 6.9819 8.3871 8.3871 8.8334 8.8334 9.2068 9.2068 9.2801 9.2801 k = 0.1000 0.1000 0.7924 ( 20948 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8832 -15.8832 -15.8715 -15.8715 -11.6394 -11.6394 -11.1958 -11.1958 -11.1828 -11.1828 -11.1186 -11.1186 -4.8716 -4.8716 -4.6675 -4.6675 -3.6624 -3.6624 -3.4706 -3.4706 -3.2744 -3.2744 -3.2007 -3.2007 -1.5809 -1.5809 -1.5192 -1.5192 -0.6512 -0.6512 -0.2424 -0.2424 -0.2234 -0.2234 0.0161 0.0161 0.1426 0.1426 0.2582 0.2582 0.7650 0.7650 1.1308 1.1308 1.2210 1.2210 1.6877 1.6877 2.1888 2.1888 2.2941 2.2941 2.5176 2.5176 2.5271 2.5271 4.6891 4.6891 6.9546 6.9546 8.3756 8.3756 8.8012 8.8012 9.1851 9.1851 9.2408 9.2408 k = 0.0833 0.0833 0.7924 ( 20934 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8834 -15.8834 -15.8713 -15.8713 -11.6413 -11.6413 -11.1951 -11.1951 -11.1821 -11.1821 -11.1175 -11.1175 -4.8752 -4.8752 -4.6646 -4.6646 -3.6687 -3.6687 -3.4747 -3.4747 -3.2686 -3.2686 -3.1968 -3.1968 -1.5753 -1.5753 -1.5243 -1.5243 -0.6367 -0.6367 -0.2531 -0.2531 -0.2332 -0.2332 0.0296 0.0296 0.1522 0.1522 0.2376 0.2376 0.7535 0.7535 1.1299 1.1299 1.2208 1.2208 1.7001 1.7001 2.1902 2.1902 2.2979 2.2979 2.5209 2.5209 2.5293 2.5293 4.7014 4.7014 6.9313 6.9313 8.3657 8.3657 8.7734 8.7734 9.1665 9.1665 9.2073 9.2073 k = 0.0667 0.0667 0.7924 ( 20928 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8836 -15.8836 -15.8711 -15.8711 -11.6429 -11.6429 -11.1945 -11.1945 -11.1815 -11.1815 -11.1167 -11.1167 -4.8781 -4.8781 -4.6621 -4.6621 -3.6740 -3.6740 -3.4780 -3.4780 -3.2639 -3.2639 -3.1934 -3.1934 -1.5706 -1.5706 -1.5285 -1.5285 -0.6242 -0.6242 -0.2624 -0.2624 -0.2416 -0.2416 0.0425 0.0425 0.1602 0.1602 0.2190 0.2190 0.7437 0.7437 1.1292 1.1292 1.2207 1.2207 1.7105 1.7105 2.1914 2.1914 2.3010 2.3010 2.5237 2.5237 2.5313 2.5313 4.7117 4.7117 6.9120 6.9120 8.3577 8.3577 8.7504 8.7504 9.1508 9.1508 9.1801 9.1801 k = 0.0500 0.0500 0.7924 ( 20940 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8837 -15.8837 -15.8710 -15.8710 -11.6442 -11.6442 -11.1940 -11.1940 -11.1810 -11.1810 -11.1161 -11.1161 -4.8804 -4.8804 -4.6602 -4.6602 -3.6782 -3.6782 -3.4806 -3.4806 -3.2603 -3.2603 -3.1906 -3.1906 -1.5668 -1.5668 -1.5318 -1.5318 -0.6140 -0.6140 -0.2699 -0.2699 -0.2484 -0.2484 0.0545 0.0545 0.1661 0.1661 0.2029 0.2029 0.7359 0.7359 1.1287 1.1287 1.2206 1.2206 1.7186 1.7186 2.1922 2.1922 2.3035 2.3035 2.5258 2.5258 2.5328 2.5328 4.7197 4.7197 6.8970 6.8970 8.3514 8.3514 8.7322 8.7322 9.1379 9.1379 9.1594 9.1594 k = 0.0333 0.0333 0.7924 ( 20940 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8838 -15.8838 -15.8709 -15.8709 -11.6451 -11.6451 -11.1937 -11.1937 -11.1806 -11.1806 -11.1156 -11.1156 -4.8821 -4.8821 -4.6588 -4.6588 -3.6813 -3.6813 -3.4824 -3.4824 -3.2578 -3.2578 -3.1884 -3.1884 -1.5641 -1.5641 -1.5342 -1.5342 -0.6064 -0.6064 -0.2755 -0.2755 -0.2534 -0.2534 0.0647 0.0647 0.1697 0.1697 0.1903 0.1903 0.7302 0.7302 1.1284 1.1284 1.2206 1.2206 1.7245 1.7245 2.1928 2.1928 2.3053 2.3053 2.5274 2.5274 2.5340 2.5340 4.7255 4.7255 6.8862 6.8862 8.3469 8.3469 8.7192 8.7192 9.1277 9.1277 9.1454 9.1454 k = 0.0167 0.0167 0.7924 ( 20940 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8838 -15.8838 -15.8708 -15.8708 -11.6457 -11.6457 -11.1935 -11.1935 -11.1804 -11.1804 -11.1153 -11.1153 -4.8831 -4.8831 -4.6580 -4.6580 -3.6831 -3.6831 -3.4835 -3.4835 -3.2563 -3.2563 -3.1871 -3.1871 -1.5625 -1.5625 -1.5356 -1.5356 -0.6017 -0.6017 -0.2789 -0.2789 -0.2565 -0.2565 0.0720 0.0720 0.1701 0.1701 0.1834 0.1834 0.7267 0.7267 1.1282 1.1282 1.2206 1.2206 1.7281 1.7281 2.1931 2.1931 2.3064 2.3064 2.5284 2.5284 2.5347 2.5347 4.7289 4.7289 6.8797 6.8797 8.3442 8.3442 8.7114 8.7114 9.1209 9.1209 9.1377 9.1377 k = 0.0000 0.0000 0.7924 ( 20938 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8839 -15.8839 -15.8708 -15.8708 -11.6458 -11.6458 -11.1934 -11.1934 -11.1803 -11.1803 -11.1152 -11.1152 -4.8835 -4.8835 -4.6577 -4.6577 -3.6837 -3.6837 -3.4839 -3.4839 -3.2558 -3.2558 -3.1866 -3.1866 -1.5620 -1.5620 -1.5361 -1.5361 -0.6001 -0.6001 -0.2801 -0.2801 -0.2575 -0.2575 0.0747 0.0747 0.1693 0.1693 0.1819 0.1819 0.7256 0.7256 1.1282 1.1282 1.2206 1.2206 1.7293 1.7293 2.1933 2.1933 2.3068 2.3068 2.5287 2.5287 2.5349 2.5349 4.7301 4.7301 6.8775 6.8775 8.3433 8.3433 8.7087 8.7087 9.1185 9.1185 9.1352 9.1352 k = 0.0000 0.5000-0.0000 ( 20984 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9104 -15.9104 -15.9098 -15.9098 -11.5973 -11.5973 -11.2141 -11.2141 -11.1894 -11.1894 -11.1646 -11.1646 -4.6662 -4.6662 -4.6580 -4.6580 -3.3210 -3.3210 -3.2949 -3.2949 -3.1898 -3.1898 -3.1741 -3.1741 -1.6045 -1.6045 -1.5083 -1.5083 -0.8898 -0.8898 -0.2094 -0.2094 0.0249 0.0249 0.0712 0.0712 0.1647 0.1647 0.6022 0.6022 0.8237 0.8237 1.0256 1.0256 1.3760 1.3760 1.6151 1.6151 1.9105 1.9105 2.1420 2.1420 2.4295 2.4295 2.5318 2.5318 4.5280 4.5280 7.6469 7.6469 7.6947 7.6947 8.6570 8.6570 8.7274 8.7274 9.1148 9.1148 k = 0.0000 0.5000 0.0233 ( 20980 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9103 -15.9103 -15.9097 -15.9097 -11.5974 -11.5974 -11.2141 -11.2141 -11.1894 -11.1894 -11.1645 -11.1645 -4.6664 -4.6664 -4.6582 -4.6582 -3.3217 -3.3217 -3.2952 -3.2952 -3.1905 -3.1905 -3.1737 -3.1737 -1.6046 -1.6046 -1.5081 -1.5081 -0.8899 -0.8899 -0.2098 -0.2098 0.0239 0.0239 0.0721 0.0721 0.1641 0.1641 0.6020 0.6020 0.8248 0.8248 1.0251 1.0251 1.3757 1.3757 1.6150 1.6150 1.9112 1.9112 2.1425 2.1425 2.4295 2.4295 2.5317 2.5317 4.5280 4.5280 7.6485 7.6485 7.6961 7.6961 8.6587 8.6587 8.7295 8.7295 9.1158 9.1158 k = 0.0000 0.5000 0.0466 ( 20988 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9101 -15.9101 -15.9095 -15.9095 -11.5974 -11.5974 -11.2142 -11.2142 -11.1892 -11.1892 -11.1644 -11.1644 -4.6673 -4.6673 -4.6587 -4.6587 -3.3237 -3.3237 -3.2961 -3.2961 -3.1924 -3.1924 -3.1727 -3.1727 -1.6049 -1.6049 -1.5076 -1.5076 -0.8902 -0.8902 -0.2110 -0.2110 0.0212 0.0212 0.0746 0.0746 0.1622 0.1622 0.6014 0.6014 0.8278 0.8278 1.0238 1.0238 1.3748 1.3748 1.6147 1.6147 1.9132 1.9132 2.1437 2.1437 2.4296 2.4296 2.5314 2.5314 4.5280 4.5280 7.6533 7.6533 7.7003 7.7003 8.6639 8.6639 8.7359 8.7359 9.1188 9.1188 k = 0.0000 0.5000 0.0699 ( 21014 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9098 -15.9098 -15.9092 -15.9092 -11.5975 -11.5975 -11.2144 -11.2144 -11.1889 -11.1889 -11.1641 -11.1641 -4.6687 -4.6687 -4.6597 -4.6597 -3.3270 -3.3270 -3.2977 -3.2977 -3.1949 -3.1949 -3.1716 -3.1716 -1.6053 -1.6053 -1.5066 -1.5066 -0.8906 -0.8906 -0.2129 -0.2129 0.0173 0.0173 0.0781 0.0781 0.1593 0.1593 0.6003 0.6003 0.8329 0.8329 1.0217 1.0217 1.3732 1.3732 1.6141 1.6141 1.9165 1.9165 2.1458 2.1458 2.4297 2.4297 2.5309 2.5309 4.5281 4.5281 7.6613 7.6613 7.7071 7.7071 8.6725 8.6725 8.7467 8.7467 9.1238 9.1238 k = 0.0000 0.5000 0.0932 ( 21002 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9093 -15.9093 -15.9087 -15.9087 -11.5977 -11.5977 -11.2146 -11.2146 -11.1885 -11.1885 -11.1638 -11.1638 -4.6705 -4.6705 -4.6610 -4.6610 -3.3312 -3.3312 -3.3001 -3.3001 -3.1978 -3.1978 -3.1707 -3.1707 -1.6059 -1.6059 -1.5053 -1.5053 -0.8911 -0.8911 -0.2155 -0.2155 0.0126 0.0126 0.0822 0.0822 0.1552 0.1552 0.5987 0.5987 0.8399 0.8399 1.0188 1.0188 1.3711 1.3711 1.6133 1.6133 1.9212 1.9212 2.1487 2.1487 2.4299 2.4299 2.5302 2.5302 4.5282 4.5282 7.6723 7.6723 7.7165 7.7165 8.6847 8.6847 8.7617 8.7617 9.1308 9.1308 k = 0.0000 0.5000 0.1165 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9087 -15.9087 -15.9081 -15.9081 -11.5979 -11.5979 -11.2149 -11.2149 -11.1880 -11.1880 -11.1634 -11.1634 -4.6729 -4.6729 -4.6627 -4.6627 -3.3364 -3.3364 -3.3034 -3.3034 -3.2008 -3.2008 -3.1704 -3.1704 -1.6067 -1.6067 -1.5037 -1.5037 -0.8917 -0.8917 -0.2188 -0.2188 0.0075 0.0075 0.0866 0.0866 0.1503 0.1503 0.5965 0.5965 0.8487 0.8487 1.0151 1.0151 1.3683 1.3683 1.6122 1.6122 1.9270 1.9270 2.1522 2.1522 2.4302 2.4302 2.5293 2.5293 4.5283 4.5283 7.6862 7.6862 7.7283 7.7283 8.7002 8.7002 8.7809 8.7809 9.1399 9.1399 k = 0.0000 0.5000 0.1398 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9080 -15.9080 -15.9074 -15.9074 -11.5981 -11.5981 -11.2153 -11.2153 -11.1874 -11.1874 -11.1629 -11.1629 -4.6757 -4.6757 -4.6648 -4.6648 -3.3422 -3.3422 -3.3074 -3.3074 -3.2040 -3.2040 -3.1707 -3.1707 -1.6076 -1.6076 -1.5017 -1.5017 -0.8923 -0.8923 -0.2227 -0.2227 0.0023 0.0023 0.0909 0.0909 0.1447 0.1447 0.5938 0.5938 0.8592 0.8592 1.0108 1.0108 1.3650 1.3650 1.6108 1.6108 1.9339 1.9339 2.1564 2.1564 2.4305 2.4305 2.5282 2.5282 4.5284 4.5284 7.7028 7.7028 7.7422 7.7422 8.7192 8.7192 8.8044 8.8044 9.1511 9.1511 k = 0.0000 0.5000 0.1631 ( 21012 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9071 -15.9071 -15.9066 -15.9066 -11.5984 -11.5984 -11.2158 -11.2158 -11.1866 -11.1866 -11.1623 -11.1623 -4.6790 -4.6790 -4.6673 -4.6673 -3.3487 -3.3487 -3.3122 -3.3122 -3.2072 -3.2072 -3.1717 -3.1717 -1.6087 -1.6087 -1.4995 -1.4995 -0.8928 -0.8928 -0.2271 -0.2271 -0.0028 -0.0028 0.0949 0.0949 0.1385 0.1385 0.5903 0.5903 0.8711 0.8711 1.0059 1.0059 1.3612 1.3612 1.6091 1.6091 1.9419 1.9419 2.1612 2.1612 2.4308 2.4308 2.5270 2.5270 4.5286 4.5286 7.7221 7.7221 7.7578 7.7578 8.7414 8.7414 8.8319 8.8319 9.1643 9.1643 k = 0.0000 0.5000 0.1865 ( 21000 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9061 -15.9061 -15.9056 -15.9056 -11.5987 -11.5987 -11.2163 -11.2163 -11.1858 -11.1858 -11.1616 -11.1616 -4.6826 -4.6826 -4.6701 -4.6701 -3.3557 -3.3557 -3.3177 -3.3177 -3.2106 -3.2106 -3.1736 -3.1736 -1.6100 -1.6100 -1.4969 -1.4969 -0.8931 -0.8931 -0.2319 -0.2319 -0.0078 -0.0078 0.0983 0.0983 0.1322 0.1322 0.5862 0.5862 0.8843 0.8843 1.0006 1.0006 1.3569 1.3569 1.6069 1.6069 1.9507 1.9507 2.1664 2.1664 2.4313 2.4313 2.5255 2.5255 4.5288 4.5288 7.7436 7.7436 7.7750 7.7750 8.7665 8.7665 8.8632 8.8632 9.1783 9.1784 k = 0.0000 0.5000 0.2098 ( 21004 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.9051 -15.9051 -15.9046 -15.9046 -11.5991 -11.5991 -11.2169 -11.2169 -11.1849 -11.1849 -11.1609 -11.1609 -4.6865 -4.6865 -4.6732 -4.6732 -3.3631 -3.3631 -3.3237 -3.3237 -3.2141 -3.2141 -3.1764 -3.1764 -1.6114 -1.6114 -1.4942 -1.4942 -0.8932 -0.8932 -0.2369 -0.2369 -0.0126 -0.0126 0.1006 0.1006 0.1262 0.1262 0.5815 0.5815 0.8987 0.8987 0.9949 0.9949 1.3521 1.3521 1.6043 1.6043 1.9604 1.9604 2.1719 2.1719 2.4318 2.4318 2.5239 2.5239 4.5290 4.5290 7.7671 7.7671 7.7931 7.7931 8.7935 8.7935 8.8979 8.8979 9.1243 9.1243 k = 0.0000 0.5000 0.2331 ( 20984 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9039 -15.9039 -15.9034 -15.9034 -11.5994 -11.5994 -11.2175 -11.2175 -11.1839 -11.1839 -11.1600 -11.1600 -4.6908 -4.6908 -4.6766 -4.6766 -3.3707 -3.3707 -3.3301 -3.3301 -3.2178 -3.2178 -3.1801 -3.1801 -1.6129 -1.6129 -1.4912 -1.4912 -0.8929 -0.8929 -0.2422 -0.2422 -0.0170 -0.0170 0.1007 0.1007 0.1216 0.1216 0.5761 0.5761 0.9138 0.9138 0.9889 0.9889 1.3468 1.3468 1.6013 1.6013 1.9707 1.9707 2.1777 2.1777 2.4324 2.4324 2.5221 2.5221 4.5293 4.5293 7.7920 7.7920 7.8120 7.8120 8.8204 8.8204 8.9350 8.9350 9.0749 9.0749 k = 0.0000 0.5000 0.2564 ( 20980 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9027 -15.9027 -15.9022 -15.9022 -11.5998 -11.5998 -11.2182 -11.2182 -11.1828 -11.1828 -11.1592 -11.1592 -4.6952 -4.6952 -4.6803 -4.6803 -3.3786 -3.3786 -3.3368 -3.3368 -3.2218 -3.2218 -3.1847 -3.1847 -1.6145 -1.6145 -1.4881 -1.4881 -0.8922 -0.8922 -0.2475 -0.2475 -0.0210 -0.0210 0.0974 0.0974 0.1198 0.1198 0.5700 0.5700 0.9297 0.9297 0.9828 0.9828 1.3412 1.3412 1.5977 1.5977 1.9816 1.9816 2.1837 2.1837 2.4332 2.4332 2.5201 2.5201 4.5296 4.5296 7.8166 7.8166 7.8321 7.8321 8.8419 8.8419 8.9726 8.9726 9.0376 9.0376 k = 0.0000 0.5000 0.2797 ( 20988 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9013 -15.9013 -15.9009 -15.9009 -11.6003 -11.6003 -11.2190 -11.2190 -11.1817 -11.1817 -11.1582 -11.1582 -4.6999 -4.6999 -4.6843 -4.6843 -3.3867 -3.3867 -3.3436 -3.3436 -3.2261 -3.2261 -3.1901 -3.1901 -1.6163 -1.6163 -1.4849 -1.4849 -0.8911 -0.8911 -0.2528 -0.2528 -0.0245 -0.0245 0.0912 0.0912 0.1201 0.1201 0.5634 0.5634 0.9460 0.9460 0.9766 0.9766 1.3352 1.3352 1.5937 1.5937 1.9928 1.9928 2.1897 2.1897 2.4341 2.4341 2.5180 2.5180 4.5298 4.5298 7.8371 7.8371 7.8562 7.8562 8.8477 8.8477 9.0046 9.0046 9.0272 9.0272 k = 0.0000 0.5000 0.3030 ( 20998 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8999 -15.8999 -15.8995 -15.8995 -11.6007 -11.6007 -11.2198 -11.2198 -11.1805 -11.1805 -11.1573 -11.1573 -4.7047 -4.7047 -4.6884 -4.6884 -3.3948 -3.3948 -3.3505 -3.3505 -3.2307 -3.2307 -3.1964 -3.1964 -1.6182 -1.6182 -1.4815 -1.4815 -0.8895 -0.8895 -0.2579 -0.2579 -0.0276 -0.0276 0.0836 0.0836 0.1213 0.1213 0.5563 0.5563 0.9624 0.9624 0.9707 0.9707 1.3289 1.3289 1.5891 1.5891 2.0043 2.0043 2.1956 2.1956 2.4352 2.4352 2.5157 2.5157 4.5301 4.5301 7.8519 7.8519 7.8845 7.8845 8.8330 8.8330 9.0265 9.0265 9.0494 9.0494 k = 0.0000 0.5000 0.3263 ( 20994 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8985 -15.8985 -15.8981 -15.8981 -11.6012 -11.6012 -11.2206 -11.2206 -11.1792 -11.1792 -11.1563 -11.1563 -4.7097 -4.7097 -4.6927 -4.6927 -3.4029 -3.4029 -3.3573 -3.3573 -3.2356 -3.2356 -3.2035 -3.2035 -1.6201 -1.6201 -1.4782 -1.4782 -0.8873 -0.8873 -0.2627 -0.2627 -0.0301 -0.0301 0.0753 0.0753 0.1226 0.1226 0.5486 0.5486 0.9642 0.9642 0.9796 0.9796 1.3224 1.3224 1.5841 1.5841 2.0159 2.0159 2.2013 2.2013 2.4365 2.4365 2.5134 2.5134 4.5305 4.5305 7.8616 7.8616 7.9148 7.9148 8.8084 8.8084 9.0473 9.0473 9.0815 9.0815 k = 0.0000 0.5000 0.3496 ( 20998 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8970 -15.8970 -15.8966 -15.8966 -11.6017 -11.6017 -11.2214 -11.2214 -11.1779 -11.1779 -11.1552 -11.1552 -4.7147 -4.7147 -4.6972 -4.6972 -3.4110 -3.4110 -3.3639 -3.3639 -3.2409 -3.2409 -3.2113 -3.2113 -1.6221 -1.6221 -1.4748 -1.4748 -0.8845 -0.8845 -0.2672 -0.2672 -0.0321 -0.0321 0.0665 0.0665 0.1236 0.1236 0.5406 0.5406 0.9584 0.9584 0.9962 0.9962 1.3157 1.3157 1.5786 1.5786 2.0275 2.0275 2.2068 2.2068 2.4380 2.4380 2.5109 2.5109 4.5308 4.5308 7.8657 7.8657 7.9461 7.9461 8.7848 8.7848 9.0554 9.0554 9.1262 9.1262 k = 0.0000 0.5000 0.3729 ( 20998 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8955 -15.8955 -15.8952 -15.8952 -11.6022 -11.6022 -11.2223 -11.2223 -11.1766 -11.1766 -11.1542 -11.1542 -4.7197 -4.7197 -4.7017 -4.7017 -3.4190 -3.4190 -3.3703 -3.3703 -3.2466 -3.2466 -3.2197 -3.2197 -1.6242 -1.6242 -1.4714 -1.4714 -0.8811 -0.8811 -0.2712 -0.2712 -0.0334 -0.0334 0.0575 0.0575 0.1242 0.1242 0.5321 0.5321 0.9528 0.9528 1.0127 1.0127 1.3089 1.3089 1.5726 1.5726 2.0389 2.0389 2.2120 2.2120 2.4398 2.4398 2.5084 2.5084 4.5311 4.5311 7.8636 7.8636 7.9778 7.9778 8.7679 8.7679 9.0548 9.0548 9.1796 9.1796 k = 0.0000 0.5000 0.3962 ( 20982 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8940 -15.8940 -15.8937 -15.8937 -11.6027 -11.6027 -11.2232 -11.2232 -11.1752 -11.1752 -11.1531 -11.1531 -4.7247 -4.7247 -4.7063 -4.7063 -3.4267 -3.4267 -3.3765 -3.3765 -3.2525 -3.2525 -3.2287 -3.2287 -1.6263 -1.6263 -1.4681 -1.4681 -0.8772 -0.8772 -0.2746 -0.2746 -0.0342 -0.0342 0.0482 0.0482 0.1245 0.1245 0.5234 0.5234 0.9476 0.9476 1.0289 1.0289 1.3020 1.3020 1.5663 1.5663 2.0500 2.0500 2.2167 2.2167 2.4419 2.4419 2.5058 2.5058 4.5315 4.5315 7.8546 7.8546 8.0097 8.0097 8.7603 8.7603 9.0510 9.0510 9.2382 9.2382 k = 0.0000 0.5000 0.4195 ( 21000 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8924 -15.8924 -15.8922 -15.8922 -11.6033 -11.6033 -11.2241 -11.2241 -11.1739 -11.1739 -11.1521 -11.1521 -4.7296 -4.7296 -4.7109 -4.7109 -3.4342 -3.4342 -3.3823 -3.3823 -3.2587 -3.2587 -3.2380 -3.2380 -1.6284 -1.6284 -1.4649 -1.4649 -0.8727 -0.8727 -0.2775 -0.2775 -0.0344 -0.0344 0.0389 0.0389 0.1242 0.1242 0.5145 0.5145 0.9426 0.9426 1.0447 1.0447 1.2951 1.2951 1.5595 1.5595 2.0608 2.0608 2.2210 2.2210 2.4442 2.4442 2.5033 2.5033 4.5318 4.5318 7.8388 7.8388 8.0414 8.0414 8.7631 8.7631 9.0467 9.0467 9.3004 9.3004 k = 0.0000 0.5000 0.4428 ( 20978 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8909 -15.8909 -15.8907 -15.8907 -11.6038 -11.6038 -11.2250 -11.2250 -11.1726 -11.1726 -11.1510 -11.1510 -4.7344 -4.7344 -4.7155 -4.7155 -3.4414 -3.4414 -3.3878 -3.3878 -3.2653 -3.2653 -3.2476 -3.2476 -1.6305 -1.6305 -1.4618 -1.4618 -0.8676 -0.8676 -0.2797 -0.2797 -0.0340 -0.0340 0.0295 0.0295 0.1235 0.1235 0.5053 0.5053 0.9381 0.9381 1.0598 1.0598 1.2884 1.2884 1.5525 1.5525 2.0709 2.0709 2.2249 2.2249 2.4468 2.4468 2.5009 2.5009 4.5322 4.5322 7.8169 7.8169 8.0725 8.0725 8.7764 8.7764 9.0432 9.0432 9.3652 9.3652 k = 0.0000 0.5000 0.4661 ( 20966 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8894 -15.8894 -15.8892 -15.8892 -11.6043 -11.6043 -11.2259 -11.2259 -11.1712 -11.1712 -11.1500 -11.1500 -4.7390 -4.7390 -4.7200 -4.7200 -3.4482 -3.4482 -3.3929 -3.3929 -3.2720 -3.2720 -3.2574 -3.2574 -1.6325 -1.6325 -1.4589 -1.4589 -0.8622 -0.8622 -0.2813 -0.2813 -0.0331 -0.0331 0.0200 0.0200 0.1222 0.1222 0.4962 0.4962 0.9340 0.9340 1.0743 1.0743 1.2818 1.2818 1.5453 1.5453 2.0805 2.0805 2.2282 2.2282 2.4497 2.4497 2.4986 2.4986 4.5326 4.5326 7.7898 7.7898 8.1029 8.1029 8.7993 8.7993 9.0412 9.0412 9.4316 9.4316 k = 0.0000 0.5000 0.4894 ( 20964 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8880 -15.8880 -15.8878 -15.8878 -11.6048 -11.6048 -11.2268 -11.2268 -11.1699 -11.1699 -11.1490 -11.1490 -4.7435 -4.7435 -4.7244 -4.7244 -3.4545 -3.4545 -3.3977 -3.3977 -3.2791 -3.2791 -3.2670 -3.2670 -1.6345 -1.6345 -1.4561 -1.4561 -0.8564 -0.8564 -0.2821 -0.2821 -0.0317 -0.0317 0.0107 0.0107 0.1205 0.1205 0.4870 0.4870 0.9304 0.9304 1.0879 1.0879 1.2755 1.2755 1.5379 1.5379 2.0894 2.0894 2.2311 2.2311 2.4526 2.4526 2.4966 2.4966 4.5329 4.5329 7.7591 7.7591 8.1322 8.1322 8.8311 8.8311 9.0411 9.0411 9.4988 9.4988 k = 0.0000 0.5000 0.5127 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8866 -15.8866 -15.8864 -15.8864 -11.6053 -11.6053 -11.2276 -11.2276 -11.1687 -11.1687 -11.1480 -11.1480 -4.7477 -4.7477 -4.7287 -4.7287 -3.4604 -3.4604 -3.4021 -3.4021 -3.2864 -3.2864 -3.2763 -3.2763 -1.6365 -1.6365 -1.4534 -1.4534 -0.8503 -0.8503 -0.2823 -0.2823 -0.0301 -0.0301 0.0018 0.0018 0.1182 0.1182 0.4779 0.4779 0.9271 0.9271 1.1007 1.1007 1.2696 1.2696 1.5305 1.5305 2.0975 2.0975 2.2335 2.2335 2.4555 2.4555 2.4950 2.4950 4.5333 4.5333 7.7259 7.7259 8.1602 8.1602 8.8704 8.8704 9.0430 9.0430 9.5660 9.5660 k = 0.0000 0.5000 0.5361 ( 20958 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8852 -15.8852 -15.8851 -15.8851 -11.6058 -11.6058 -11.2284 -11.2284 -11.1675 -11.1675 -11.1471 -11.1471 -4.7516 -4.7516 -4.7328 -4.7328 -3.4658 -3.4658 -3.4062 -3.4062 -3.2941 -3.2941 -3.2850 -3.2850 -1.6384 -1.6384 -1.4510 -1.4510 -0.8441 -0.8441 -0.2819 -0.2819 -0.0289 -0.0289 -0.0061 -0.0061 0.1155 0.1155 0.4690 0.4690 0.9243 0.9243 1.1124 1.1124 1.2641 1.2641 1.5231 1.5231 2.1049 2.1049 2.2354 2.2354 2.4582 2.4582 2.4939 2.4939 4.5336 4.5336 7.6917 7.6917 8.1866 8.1866 8.9161 8.9161 9.0469 9.0469 9.6324 9.6324 k = 0.0000 0.5000 0.5594 ( 20948 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8840 -15.8840 -15.8839 -15.8839 -11.6062 -11.6062 -11.2292 -11.2292 -11.1664 -11.1664 -11.1462 -11.1462 -4.7553 -4.7553 -4.7367 -4.7367 -3.4706 -3.4706 -3.4099 -3.4099 -3.3020 -3.3020 -3.2931 -3.2931 -1.6401 -1.6401 -1.4487 -1.4487 -0.8378 -0.8378 -0.2808 -0.2808 -0.0298 -0.0298 -0.0113 -0.0113 0.1123 0.1123 0.4605 0.4605 0.9220 0.9220 1.1230 1.1230 1.2592 1.2592 1.5159 1.5159 2.1114 2.1114 2.2369 2.2369 2.4605 2.4605 2.4936 2.4936 4.5340 4.5340 7.6576 7.6576 8.2112 8.2112 8.9673 8.9673 9.0527 9.0527 9.6969 9.6969 k = 0.0000 0.5000 0.5827 ( 20970 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8828 -15.8828 -15.8827 -15.8827 -11.6066 -11.6066 -11.2299 -11.2299 -11.1653 -11.1653 -11.1454 -11.1454 -4.7587 -4.7587 -4.7404 -4.7404 -3.4748 -3.4748 -3.4134 -3.4134 -3.3098 -3.3098 -3.3004 -3.3004 -1.6418 -1.6418 -1.4467 -1.4467 -0.8316 -0.8316 -0.2792 -0.2792 -0.0346 -0.0346 -0.0120 -0.0120 0.1087 0.1087 0.4523 0.4523 0.9200 0.9200 1.1324 1.1324 1.2550 1.2550 1.5089 1.5089 2.1172 2.1172 2.2381 2.2381 2.4621 2.4621 2.4942 2.4942 4.5343 4.5343 7.6244 7.6244 8.2338 8.2338 9.0229 9.0229 9.0602 9.0602 9.7582 9.7582 k = 0.0000 0.5000 0.6060 ( 20974 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8817 -15.8817 -15.8816 -15.8816 -11.6070 -11.6070 -11.2306 -11.2306 -11.1644 -11.1644 -11.1446 -11.1446 -4.7617 -4.7617 -4.7437 -4.7437 -3.4785 -3.4785 -3.4165 -3.4165 -3.3173 -3.3173 -3.3072 -3.3072 -1.6433 -1.6433 -1.4448 -1.4448 -0.8256 -0.8256 -0.2771 -0.2771 -0.0417 -0.0417 -0.0095 -0.0095 0.1048 0.1048 0.4446 0.4446 0.9183 0.9183 1.1405 1.1405 1.2515 1.2515 1.5023 1.5023 2.1222 2.1222 2.2389 2.2389 2.4629 2.4629 2.4957 2.4957 4.5346 4.5346 7.5930 7.5930 8.2543 8.2543 9.0682 9.0682 9.0832 9.0832 9.8145 9.8145 k = 0.0000 0.5000 0.6293 ( 20974 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8807 -15.8807 -15.8807 -15.8807 -11.6074 -11.6074 -11.2312 -11.2312 -11.1635 -11.1635 -11.1439 -11.1439 -4.7644 -4.7644 -4.7468 -4.7468 -3.4816 -3.4816 -3.4194 -3.4194 -3.3242 -3.3242 -3.3135 -3.3135 -1.6447 -1.6447 -1.4432 -1.4432 -0.8200 -0.8200 -0.2747 -0.2747 -0.0495 -0.0495 -0.0057 -0.0057 0.1006 0.1006 0.4376 0.4376 0.9170 0.9170 1.1472 1.1472 1.2488 1.2488 1.4962 1.4962 2.1264 2.1264 2.2395 2.2395 2.4631 2.4631 2.4978 2.4978 4.5348 4.5348 7.5641 7.5641 8.2725 8.2725 9.0784 9.0784 9.1452 9.1452 9.8623 9.8623 k = 0.0000 0.5000 0.6526 ( 20970 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8798 -15.8798 -15.8798 -15.8798 -11.6077 -11.6077 -11.2318 -11.2318 -11.1627 -11.1627 -11.1433 -11.1433 -4.7667 -4.7667 -4.7495 -4.7495 -3.4841 -3.4841 -3.4220 -3.4220 -3.3302 -3.3302 -3.3192 -3.3192 -1.6459 -1.6459 -1.4417 -1.4417 -0.8148 -0.8148 -0.2721 -0.2721 -0.0570 -0.0570 -0.0013 -0.0013 0.0961 0.0961 0.4312 0.4312 0.9160 0.9160 1.1526 1.1526 1.2469 1.2469 1.4906 1.4906 2.1299 2.1299 2.2399 2.2399 2.4629 2.4629 2.5003 2.5003 4.5351 4.5351 7.5380 7.5380 8.2883 8.2883 9.0886 9.0886 9.2099 9.2099 9.8949 9.8949 k = 0.0000 0.5000 0.6759 ( 20988 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8791 -15.8791 -15.8791 -15.8791 -11.6080 -11.6080 -11.2322 -11.2322 -11.1620 -11.1620 -11.1428 -11.1428 -4.7687 -4.7687 -4.7519 -4.7519 -3.4861 -3.4861 -3.4244 -3.4244 -3.3352 -3.3352 -3.3244 -3.3244 -1.6470 -1.6470 -1.4405 -1.4405 -0.8101 -0.8101 -0.2695 -0.2695 -0.0640 -0.0640 0.0033 0.0033 0.0916 0.0916 0.4257 0.4257 0.9152 0.9152 1.1568 1.1568 1.2458 1.2458 1.4857 1.4857 2.1328 2.1328 2.2402 2.2402 2.4624 2.4624 2.5029 2.5029 4.5353 4.5353 7.5154 7.5154 8.3018 8.3018 9.0987 9.0987 9.2761 9.2761 9.9036 9.9036 k = 0.0000 0.5000 0.6992 ( 20972 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8785 -15.8785 -15.8785 -15.8785 -11.6082 -11.6082 -11.2326 -11.2326 -11.1615 -11.1615 -11.1424 -11.1424 -4.7703 -4.7703 -4.7538 -4.7538 -3.4876 -3.4876 -3.4265 -3.4265 -3.3392 -3.3392 -3.3290 -3.3290 -1.6479 -1.6479 -1.4395 -1.4395 -0.8062 -0.8062 -0.2669 -0.2669 -0.0701 -0.0701 0.0078 0.0078 0.0873 0.0873 0.4210 0.4210 0.9146 0.9146 1.1598 1.1598 1.2452 1.2452 1.4815 1.4815 2.1351 2.1351 2.2403 2.2403 2.4618 2.4618 2.5054 2.5054 4.5354 4.5354 7.4964 7.4964 8.3128 8.3128 9.1081 9.1081 9.3430 9.3430 9.8841 9.8841 k = 0.0000 0.5000 0.7225 ( 20986 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8780 -15.8780 -15.8780 -15.8780 -11.6084 -11.6084 -11.2329 -11.2329 -11.1610 -11.1610 -11.1421 -11.1421 -4.7716 -4.7716 -4.7554 -4.7554 -3.4887 -3.4887 -3.4282 -3.4282 -3.3421 -3.3421 -3.3328 -3.3328 -1.6486 -1.6486 -1.4388 -1.4388 -0.8030 -0.8030 -0.2647 -0.2647 -0.0751 -0.0751 0.0120 0.0120 0.0833 0.0833 0.4173 0.4173 0.9142 0.9142 1.1619 1.1619 1.2450 1.2450 1.4782 1.4782 2.1368 2.1368 2.2404 2.2404 2.4612 2.4612 2.5075 2.5075 4.5356 4.5356 7.4814 7.4814 8.3213 8.3213 9.1162 9.1162 9.4091 9.4091 9.8442 9.8442 k = 0.0000 0.5000 0.7458 ( 20994 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8776 -15.8776 -15.8776 -15.8776 -11.6085 -11.6085 -11.2331 -11.2331 -11.1607 -11.1607 -11.1418 -11.1418 -4.7725 -4.7725 -4.7565 -4.7565 -3.4894 -3.4894 -3.4295 -3.4295 -3.3439 -3.3439 -3.3358 -3.3358 -1.6490 -1.6490 -1.4382 -1.4382 -0.8007 -0.8007 -0.2629 -0.2629 -0.0789 -0.0789 0.0154 0.0154 0.0800 0.0800 0.4146 0.4146 0.9140 0.9140 1.1632 1.1632 1.2450 1.2450 1.4758 1.4758 2.1380 2.1380 2.2404 2.2404 2.4607 2.4607 2.5091 2.5091 4.5357 4.5357 7.4705 7.4705 8.3275 8.3275 9.1224 9.1224 9.4720 9.4720 9.7957 9.7957 k = 0.0000 0.5000 0.7691 ( 21010 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8774 -15.8774 -11.6086 -11.6086 -11.2333 -11.2333 -11.1605 -11.1605 -11.1417 -11.1417 -4.7730 -4.7730 -4.7572 -4.7572 -3.4899 -3.4899 -3.4304 -3.4304 -3.3449 -3.3449 -3.3378 -3.3378 -1.6493 -1.6493 -1.4379 -1.4379 -0.7993 -0.7993 -0.2618 -0.2618 -0.0813 -0.0813 0.0177 0.0177 0.0777 0.0777 0.4130 0.4130 0.9138 0.9138 1.1639 1.1639 1.2451 1.2451 1.4743 1.4743 2.1387 2.1387 2.2404 2.2404 2.4605 2.4605 2.5101 2.5101 4.5357 4.5357 7.4639 7.4639 8.3311 8.3311 9.1263 9.1263 9.5250 9.5250 9.7500 9.7500 k = 0.0000 0.5000 0.7924 ( 21008 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8773 -15.8773 -11.6086 -11.6086 -11.2333 -11.2333 -11.1605 -11.1605 -11.1416 -11.1416 -4.7732 -4.7732 -4.7574 -4.7574 -3.4900 -3.4900 -3.4306 -3.4306 -3.3452 -3.3452 -3.3384 -3.3384 -1.6494 -1.6494 -1.4378 -1.4378 -0.7988 -0.7988 -0.2614 -0.2614 -0.0821 -0.0821 0.0185 0.0185 0.0769 0.0769 0.4124 0.4124 0.9138 0.9138 1.1642 1.1642 1.2452 1.2452 1.4738 1.4738 2.1390 2.1390 2.2404 2.2404 2.4604 2.4604 2.5104 2.5104 4.5357 4.5357 7.4617 7.4617 8.3323 8.3323 9.1277 9.1277 9.5490 9.5490 9.7282 9.7282 k = 0.5000 0.5000-0.0000 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9098 -15.9098 -15.9097 -15.9097 -11.6099 -11.6099 -11.1978 -11.1978 -11.1865 -11.1865 -11.1734 -11.1734 -4.6908 -4.6908 -4.6418 -4.6418 -3.3883 -3.3883 -3.2538 -3.2538 -3.2081 -3.2081 -3.1558 -3.1558 -1.6448 -1.6448 -1.3780 -1.3780 -0.6710 -0.6710 -0.0702 -0.0702 -0.0580 -0.0580 0.1434 0.1434 0.2262 0.2262 0.4296 0.4296 0.7952 0.7952 0.8616 0.8616 0.9544 0.9544 1.5690 1.5690 1.9591 1.9591 2.3354 2.3354 2.4771 2.4771 2.6054 2.6054 4.2262 4.2262 7.9905 7.9905 7.9925 7.9925 8.5430 8.5430 8.7954 8.7954 8.9958 8.9958 k = 0.5000 0.5000 0.0233 ( 20976 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9097 -15.9097 -15.9097 -15.9097 -11.6098 -11.6098 -11.1978 -11.1978 -11.1865 -11.1865 -11.1735 -11.1735 -4.6909 -4.6909 -4.6421 -4.6421 -3.3882 -3.3882 -3.2540 -3.2540 -3.2087 -3.2087 -3.1566 -3.1566 -1.6451 -1.6451 -1.3779 -1.3779 -0.6717 -0.6717 -0.0700 -0.0700 -0.0578 -0.0578 0.1425 0.1425 0.2253 0.2253 0.4304 0.4304 0.7963 0.7963 0.8627 0.8627 0.9547 0.9547 1.5682 1.5682 1.9596 1.9596 2.3350 2.3350 2.4767 2.4767 2.6049 2.6049 4.2263 4.2263 7.9935 7.9935 7.9955 7.9955 8.5425 8.5425 8.7962 8.7962 8.9990 8.9990 k = 0.5000 0.5000 0.0466 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9095 -15.9095 -15.9095 -15.9095 -11.6096 -11.6096 -11.1976 -11.1976 -11.1867 -11.1867 -11.1736 -11.1736 -4.6912 -4.6912 -4.6428 -4.6428 -3.3877 -3.3877 -3.2544 -3.2544 -3.2104 -3.2104 -3.1590 -3.1590 -1.6458 -1.6458 -1.3778 -1.3778 -0.6739 -0.6739 -0.0694 -0.0694 -0.0574 -0.0574 0.1398 0.1398 0.2224 0.2224 0.4326 0.4326 0.7996 0.7996 0.8661 0.8661 0.9556 0.9556 1.5661 1.5661 1.9612 1.9612 2.3337 2.3337 2.4757 2.4757 2.6035 2.6035 4.2264 4.2264 8.0027 8.0027 8.0046 8.0046 8.5410 8.5410 8.7987 8.7987 9.0084 9.0084 k = 0.5000 0.5000 0.0699 ( 20968 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9092 -15.9092 -15.9091 -15.9091 -11.6092 -11.6092 -11.1973 -11.1973 -11.1870 -11.1870 -11.1739 -11.1739 -4.6917 -4.6917 -4.6441 -4.6441 -3.3869 -3.3869 -3.2552 -3.2552 -3.2131 -3.2131 -3.1629 -3.1629 -1.6470 -1.6470 -1.3775 -1.3775 -0.6775 -0.6775 -0.0685 -0.0685 -0.0567 -0.0567 0.1354 0.1354 0.2176 0.2176 0.4362 0.4362 0.8050 0.8050 0.8717 0.8717 0.9571 0.9571 1.5626 1.5626 1.9637 1.9637 2.3316 2.3316 2.4740 2.4740 2.6013 2.6013 4.2266 4.2266 8.0178 8.0178 8.0197 8.0197 8.5384 8.5384 8.8029 8.8029 9.0240 9.0240 k = 0.5000 0.5000 0.0932 ( 20972 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9087 -15.9087 -15.9086 -15.9086 -11.6086 -11.6086 -11.1969 -11.1969 -11.1874 -11.1874 -11.1743 -11.1743 -4.6924 -4.6924 -4.6458 -4.6458 -3.3857 -3.3857 -3.2563 -3.2563 -3.2170 -3.2170 -3.1683 -3.1683 -1.6486 -1.6486 -1.3771 -1.3771 -0.6826 -0.6826 -0.0672 -0.0672 -0.0557 -0.0557 0.1293 0.1293 0.2110 0.2110 0.4413 0.4413 0.8125 0.8125 0.8795 0.8795 0.9591 0.9591 1.5576 1.5576 1.9672 1.9672 2.3286 2.3286 2.4717 2.4717 2.5981 2.5981 4.2269 4.2269 8.0389 8.0389 8.0406 8.0406 8.5347 8.5347 8.8087 8.8087 9.0457 9.0457 k = 0.5000 0.5000 0.1165 ( 20936 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7446 -44.7446 -15.9081 -15.9081 -15.9080 -15.9080 -11.6079 -11.6079 -11.1963 -11.1963 -11.1878 -11.1878 -11.1747 -11.1747 -4.6934 -4.6934 -4.6480 -4.6480 -3.3843 -3.3843 -3.2578 -3.2578 -3.2218 -3.2218 -3.1752 -3.1752 -1.6507 -1.6507 -1.3766 -1.3766 -0.6890 -0.6890 -0.0656 -0.0656 -0.0545 -0.0545 0.1217 0.1217 0.2028 0.2028 0.4476 0.4476 0.8219 0.8219 0.8892 0.8892 0.9618 0.9618 1.5514 1.5514 1.9717 1.9717 2.3249 2.3249 2.4688 2.4688 2.5941 2.5941 4.2272 4.2272 8.0658 8.0658 8.0674 8.0674 8.5296 8.5296 8.8161 8.8161 9.0730 9.0730 k = 0.5000 0.5000 0.1398 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9074 -15.9074 -15.9073 -15.9073 -11.6071 -11.6071 -11.1957 -11.1957 -11.1884 -11.1884 -11.1753 -11.1753 -4.6945 -4.6945 -4.6507 -4.6507 -3.3825 -3.3825 -3.2595 -3.2595 -3.2275 -3.2275 -3.1833 -3.1833 -1.6532 -1.6532 -1.3760 -1.3760 -0.6967 -0.6967 -0.0636 -0.0636 -0.0531 -0.0531 0.1127 0.1127 0.1931 0.1931 0.4552 0.4552 0.8331 0.8331 0.9007 0.9007 0.9649 0.9649 1.5439 1.5439 1.9770 1.9770 2.3204 2.3204 2.4655 2.4655 2.5894 2.5894 4.2277 4.2277 8.0984 8.0984 8.0999 8.0999 8.5231 8.5231 8.8251 8.8251 9.1057 9.1057 k = 0.5000 0.5000 0.1631 ( 20960 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9065 -15.9065 -15.9065 -15.9065 -11.6061 -11.6061 -11.1949 -11.1949 -11.1891 -11.1891 -11.1760 -11.1760 -4.6958 -4.6958 -4.6538 -4.6538 -3.3805 -3.3805 -3.2616 -3.2616 -3.2340 -3.2340 -3.1925 -3.1925 -1.6561 -1.6561 -1.3754 -1.3754 -0.7058 -0.7058 -0.0615 -0.0615 -0.0515 -0.0515 0.1025 0.1025 0.1819 0.1819 0.4639 0.4639 0.8460 0.8460 0.9140 0.9140 0.9686 0.9686 1.5352 1.5352 1.9831 1.9831 2.3153 2.3153 2.4617 2.4617 2.5840 2.5840 4.2282 4.2282 8.1365 8.1365 8.1378 8.1378 8.5149 8.5149 8.8357 8.8357 9.1430 9.1430 k = 0.5000 0.5000 0.1865 ( 21000 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9056 -15.9056 -15.9055 -15.9055 -11.6049 -11.6049 -11.1941 -11.1941 -11.1898 -11.1898 -11.1768 -11.1768 -4.6973 -4.6973 -4.6573 -4.6573 -3.3782 -3.3782 -3.2640 -3.2640 -3.2413 -3.2413 -3.2028 -3.2028 -1.6593 -1.6593 -1.3746 -1.3746 -0.7160 -0.7160 -0.0591 -0.0591 -0.0499 -0.0499 0.0913 0.0913 0.1696 0.1696 0.4737 0.4737 0.8605 0.8605 0.9287 0.9287 0.9727 0.9727 1.5253 1.5253 1.9899 1.9899 2.3095 2.3095 2.4577 2.4577 2.5779 2.5779 4.2287 4.2287 8.1800 8.1800 8.1810 8.1810 8.5048 8.5048 8.8477 8.8477 9.1838 9.1838 k = 0.5000 0.5000 0.2098 ( 20968 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9045 -15.9045 -15.9045 -15.9045 -11.6037 -11.6037 -11.1931 -11.1931 -11.1907 -11.1907 -11.1776 -11.1776 -4.6990 -4.6990 -4.6613 -4.6613 -3.3758 -3.3758 -3.2669 -3.2669 -3.2492 -3.2492 -3.2137 -3.2137 -1.6628 -1.6628 -1.3737 -1.3737 -0.7274 -0.7274 -0.0565 -0.0565 -0.0482 -0.0482 0.0793 0.0793 0.1563 0.1563 0.4843 0.4843 0.8762 0.8762 0.9448 0.9448 0.9773 0.9773 1.5144 1.5144 1.9974 1.9974 2.3032 2.3032 2.4535 2.4535 2.5712 2.5712 4.2293 4.2293 8.2285 8.2285 8.2292 8.2292 8.4927 8.4927 8.8612 8.8612 9.2263 9.2263 k = 0.5000 0.5000 0.2331 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.9034 -15.9034 -15.9033 -15.9033 -11.6023 -11.6023 -11.1921 -11.1921 -11.1916 -11.1916 -11.1785 -11.1785 -4.7009 -4.7009 -4.6656 -4.6656 -3.3732 -3.3732 -3.2705 -3.2705 -3.2574 -3.2574 -3.2250 -3.2250 -1.6666 -1.6666 -1.3728 -1.3728 -0.7399 -0.7399 -0.0539 -0.0539 -0.0467 -0.0467 0.0668 0.0668 0.1420 0.1420 0.4958 0.4958 0.8932 0.8932 0.9619 0.9619 0.9822 0.9822 1.5025 1.5025 2.0053 2.0053 2.2964 2.2964 2.4492 2.4492 2.5641 2.5641 4.2299 4.2299 8.2819 8.2819 8.2822 8.2822 8.4784 8.4784 8.8760 8.8760 9.2680 9.2680 k = 0.5000 0.5000 0.2564 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9021 -15.9021 -15.9021 -15.9021 -11.6009 -11.6009 -11.1926 -11.1926 -11.1910 -11.1910 -11.1795 -11.1795 -4.7029 -4.7029 -4.6703 -4.6703 -3.3706 -3.3706 -3.2753 -3.2753 -3.2659 -3.2659 -3.2359 -3.2359 -1.6706 -1.6706 -1.3718 -1.3718 -0.7533 -0.7533 -0.0512 -0.0512 -0.0456 -0.0456 0.0539 0.0539 0.1272 0.1272 0.5080 0.5080 0.9111 0.9111 0.9801 0.9801 0.9875 0.9875 1.4898 1.4898 2.0137 2.0137 2.2893 2.2893 2.4451 2.4451 2.5565 2.5565 4.2306 4.2306 8.3396 8.3396 8.3398 8.3398 8.4617 8.4617 8.8921 8.8921 9.3054 9.3054 k = 0.5000 0.5000 0.2797 ( 20968 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.9008 -15.9008 -15.9008 -15.9008 -11.5993 -11.5993 -11.1936 -11.1936 -11.1898 -11.1898 -11.1805 -11.1805 -4.7052 -4.7052 -4.6753 -4.6753 -3.3682 -3.3682 -3.2819 -3.2819 -3.2744 -3.2744 -3.2457 -3.2457 -1.6748 -1.6748 -1.3707 -1.3707 -0.7676 -0.7676 -0.0486 -0.0486 -0.0450 -0.0450 0.0412 0.0412 0.1119 0.1119 0.5208 0.5208 0.9298 0.9298 0.9930 0.9930 0.9990 0.9990 1.4764 1.4764 2.0223 2.0223 2.2818 2.2818 2.4411 2.4411 2.5486 2.5486 4.2313 4.2313 8.4010 8.4010 8.4019 8.4019 8.4425 8.4425 8.9094 8.9094 9.3356 9.3356 k = 0.5000 0.5000 0.3030 ( 20952 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8995 -15.8995 -15.8995 -15.8995 -11.5977 -11.5977 -11.1947 -11.1947 -11.1886 -11.1886 -11.1816 -11.1816 -4.7075 -4.7075 -4.6805 -4.6805 -3.3661 -3.3661 -3.2910 -3.2910 -3.2825 -3.2825 -3.2535 -3.2535 -1.6792 -1.6792 -1.3696 -1.3696 -0.7827 -0.7827 -0.0462 -0.0462 -0.0456 -0.0456 0.0293 0.0293 0.0964 0.0964 0.5340 0.5340 0.9492 0.9492 0.9988 0.9988 1.0185 1.0185 1.4623 1.4623 2.0310 2.0310 2.2740 2.2740 2.4375 2.4375 2.5405 2.5405 4.2319 4.2319 8.4207 8.4207 8.4663 8.4663 8.4677 8.4677 8.9278 8.9278 9.3577 9.3578 k = 0.5000 0.5000 0.3263 ( 20964 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8981 -15.8981 -15.8980 -15.8980 -11.5961 -11.5961 -11.1959 -11.1959 -11.1874 -11.1874 -11.1828 -11.1828 -4.7101 -4.7101 -4.6860 -4.6860 -3.3648 -3.3648 -3.3025 -3.3025 -3.2899 -3.2899 -3.2593 -3.2593 -1.6836 -1.6836 -1.3685 -1.3685 -0.7984 -0.7984 -0.0480 -0.0480 -0.0441 -0.0441 0.0190 0.0190 0.0810 0.0810 0.5476 0.5476 0.9691 0.9691 1.0048 1.0048 1.0384 1.0384 1.4478 1.4478 2.0397 2.0397 2.2661 2.2661 2.4343 2.4343 2.5322 2.5322 4.2326 4.2326 8.3966 8.3966 8.5344 8.5344 8.5368 8.5368 8.9473 8.9473 9.3731 9.3731 k = 0.5000 0.5000 0.3496 ( 20972 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8966 -15.8966 -15.8966 -15.8966 -11.5943 -11.5943 -11.1971 -11.1971 -11.1861 -11.1861 -11.1839 -11.1839 -4.7127 -4.7127 -4.6917 -4.6917 -3.3647 -3.3647 -3.3158 -3.3158 -3.2959 -3.2959 -3.2634 -3.2634 -1.6881 -1.6881 -1.3673 -1.3673 -0.8146 -0.8146 -0.0531 -0.0531 -0.0427 -0.0427 0.0111 0.0111 0.0660 0.0660 0.5615 0.5615 0.9892 0.9892 1.0109 1.0109 1.0586 1.0586 1.4328 1.4328 2.0482 2.0482 2.2581 2.2581 2.4318 2.4318 2.5239 2.5239 4.2333 4.2333 8.3702 8.3702 8.6052 8.6052 8.6088 8.6088 8.9677 8.9677 9.3839 9.3839 k = 0.5000 0.5000 0.3729 ( 20964 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3936 -45.3936 -44.7447 -44.7447 -15.8951 -15.8951 -15.8951 -15.8951 -11.5926 -11.5926 -11.1983 -11.1983 -11.1855 -11.1855 -11.1844 -11.1844 -4.7155 -4.7155 -4.6975 -4.6975 -3.3664 -3.3664 -3.3301 -3.3301 -3.3000 -3.3000 -3.2665 -3.2665 -1.6926 -1.6926 -1.3661 -1.3661 -0.8312 -0.8312 -0.0610 -0.0610 -0.0423 -0.0423 0.0061 0.0061 0.0520 0.0520 0.5754 0.5754 1.0095 1.0095 1.0171 1.0171 1.0789 1.0789 1.4176 1.4176 2.0564 2.0564 2.2501 2.2501 2.4299 2.4299 2.5155 2.5155 4.2340 4.2340 8.3417 8.3417 8.6776 8.6776 8.6827 8.6827 8.9890 8.9890 9.3922 9.3922 k = 0.5000 0.5000 0.3962 ( 21028 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8936 -15.8936 -15.8936 -15.8936 -11.5908 -11.5908 -11.1995 -11.1995 -11.1865 -11.1865 -11.1833 -11.1833 -4.7183 -4.7183 -4.7034 -4.7034 -3.3700 -3.3700 -3.3449 -3.3449 -3.3018 -3.3018 -3.2690 -3.2690 -1.6971 -1.6971 -1.3649 -1.3649 -0.8481 -0.8481 -0.0716 -0.0716 -0.0434 -0.0434 0.0037 0.0037 0.0396 0.0396 0.5894 0.5894 1.0233 1.0233 1.0297 1.0297 1.0990 1.0990 1.4023 1.4023 2.0641 2.0641 2.2421 2.2421 2.4289 2.4289 2.5071 2.5071 4.2347 4.2347 8.3113 8.3113 8.7508 8.7508 8.7579 8.7579 9.0111 9.0111 9.3998 9.3998 k = 0.5000 0.5000 0.4195 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8921 -15.8921 -15.8921 -15.8921 -11.5890 -11.5890 -11.2007 -11.2007 -11.1877 -11.1877 -11.1820 -11.1820 -4.7212 -4.7212 -4.7094 -4.7094 -3.3754 -3.3754 -3.3598 -3.3598 -3.3016 -3.3016 -3.2711 -3.2711 -1.7015 -1.7015 -1.3636 -1.3636 -0.8651 -0.8651 -0.0839 -0.0839 -0.0467 -0.0467 0.0032 0.0032 0.0295 0.0295 0.6033 0.6033 1.0295 1.0295 1.0497 1.0497 1.1189 1.1189 1.3871 1.3871 2.0711 2.0711 2.2343 2.2343 2.4287 2.4287 2.4989 2.4989 4.2353 4.2353 8.2795 8.2795 8.8235 8.8235 8.8332 8.8332 9.0338 9.0338 9.4085 9.4085 k = 0.5000 0.5000 0.4428 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8907 -15.8907 -15.8906 -15.8906 -11.5873 -11.5873 -11.2019 -11.2019 -11.1889 -11.1889 -11.1807 -11.1807 -4.7241 -4.7241 -4.7153 -4.7153 -3.3822 -3.3822 -3.3747 -3.3747 -3.2996 -3.2996 -3.2727 -3.2727 -1.7059 -1.7059 -1.3624 -1.3624 -0.8821 -0.8821 -0.0971 -0.0971 -0.0525 -0.0525 0.0039 0.0039 0.0222 0.0222 0.6170 0.6170 1.0356 1.0356 1.0693 1.0693 1.1384 1.1384 1.3719 1.3719 2.0775 2.0775 2.2266 2.2266 2.4295 2.4295 2.4909 2.4909 4.2359 4.2359 8.2465 8.2465 8.8940 8.8940 8.9070 8.9070 9.0571 9.0571 9.4198 9.4198 k = 0.5000 0.5000 0.4661 ( 20968 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8892 -15.8892 -15.8892 -15.8892 -11.5855 -11.5855 -11.2031 -11.2031 -11.1901 -11.1901 -11.1794 -11.1794 -4.7271 -4.7271 -4.7212 -4.7212 -3.3899 -3.3899 -3.3893 -3.3893 -3.2964 -3.2964 -3.2741 -3.2741 -1.7101 -1.7101 -1.3613 -1.3613 -0.8990 -0.8990 -0.1107 -0.1107 -0.0609 -0.0609 0.0053 0.0053 0.0178 0.0178 0.6304 0.6304 1.0415 1.0415 1.0884 1.0884 1.1574 1.1574 1.3570 1.3570 2.0831 2.0831 2.2192 2.2192 2.4311 2.4311 2.4832 2.4832 4.2364 4.2364 8.2130 8.2130 8.9601 8.9601 8.9773 8.9773 9.0809 9.0809 9.4321 9.4321 k = 0.5000 0.5000 0.4894 ( 21004 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8878 -15.8878 -15.8878 -15.8878 -11.5838 -11.5838 -11.2043 -11.2043 -11.1913 -11.1913 -11.1781 -11.1781 -4.7300 -4.7300 -4.7269 -4.7269 -3.4035 -3.4035 -3.3980 -3.3980 -3.2924 -3.2924 -3.2753 -3.2753 -1.7141 -1.7141 -1.3601 -1.3601 -0.9155 -0.9155 -0.1242 -0.1242 -0.0712 -0.0712 0.0071 0.0071 0.0157 0.0157 0.6434 0.6434 1.0473 1.0473 1.1069 1.1069 1.1757 1.1757 1.3426 1.3426 2.0879 2.0879 2.2121 2.2121 2.4336 2.4336 2.4757 2.4757 4.2370 4.2370 8.1793 8.1793 9.0191 9.0191 9.0412 9.0412 9.1053 9.1053 9.4502 9.4502 k = 0.5000 0.5000 0.5127 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8864 -15.8864 -15.8864 -15.8864 -11.5822 -11.5822 -11.2054 -11.2054 -11.1924 -11.1924 -11.1769 -11.1769 -4.7328 -4.7328 -4.7325 -4.7325 -3.4171 -3.4171 -3.4062 -3.4062 -3.2879 -3.2879 -3.2763 -3.2763 -1.7179 -1.7179 -1.3590 -1.3590 -0.9315 -0.9315 -0.1375 -0.1375 -0.0825 -0.0825 0.0091 0.0091 0.0152 0.0152 0.6558 0.6558 1.0529 1.0529 1.1246 1.1246 1.1931 1.1931 1.3286 1.3286 2.0918 2.0918 2.2053 2.2053 2.4369 2.4369 2.4686 2.4686 4.2374 4.2374 8.1459 8.1459 9.0687 9.0687 9.0954 9.0954 9.1303 9.1303 9.4771 9.4771 k = 0.5000 0.5000 0.5361 ( 20988 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8851 -15.8851 -15.8851 -15.8851 -11.5807 -11.5807 -11.2065 -11.2065 -11.1935 -11.1935 -11.1757 -11.1757 -4.7379 -4.7379 -4.7356 -4.7356 -3.4300 -3.4300 -3.4142 -3.4142 -3.2832 -3.2832 -3.2771 -3.2771 -1.7216 -1.7216 -1.3579 -1.3579 -0.9469 -0.9469 -0.1503 -0.1503 -0.0942 -0.0942 0.0111 0.0111 0.0157 0.0157 0.6677 0.6677 1.0582 1.0582 1.1413 1.1413 1.2097 1.2097 1.3153 1.3153 2.0950 2.0950 2.1989 2.1989 2.4408 2.4408 2.4619 2.4619 4.2379 4.2379 8.1132 8.1132 9.1072 9.1072 9.1371 9.1371 9.1565 9.1565 9.5146 9.5146 k = 0.5000 0.5000 0.5594 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8838 -15.8838 -15.8838 -15.8838 -11.5792 -11.5792 -11.2075 -11.2075 -11.1945 -11.1945 -11.1746 -11.1746 -4.7429 -4.7429 -4.7382 -4.7382 -3.4422 -3.4422 -3.4219 -3.4219 -3.2784 -3.2784 -3.2777 -3.2777 -1.7249 -1.7249 -1.3569 -1.3569 -0.9616 -0.9616 -0.1624 -0.1624 -0.1057 -0.1057 0.0132 0.0132 0.0168 0.0168 0.6788 0.6788 1.0632 1.0632 1.1570 1.1570 1.2252 1.2252 1.3027 1.3027 2.0975 2.0975 2.1929 2.1929 2.4452 2.4452 2.4557 2.4557 4.2382 4.2382 8.0817 8.0817 9.1351 9.1351 9.1669 9.1669 9.1824 9.1824 9.5623 9.5623 k = 0.5000 0.5000 0.5827 ( 20972 PWs) bands (ev): -80.7393 -80.7393 -49.5950 -49.5950 -45.3937 -45.3937 -44.7447 -44.7447 -15.8827 -15.8827 -15.8827 -15.8827 -11.5778 -11.5778 -11.2085 -11.2085 -11.1955 -11.1955 -11.1735 -11.1735 -4.7477 -4.7477 -4.7407 -4.7407 -3.4534 -3.4534 -3.4292 -3.4292 -3.2782 -3.2782 -3.2737 -3.2737 -1.7281 -1.7281 -1.3560 -1.3560 -0.9754 -0.9754 -0.1737 -0.1737 -0.1168 -0.1168 0.0152 0.0152 0.0182 0.0182 0.6892 0.6892 1.0678 1.0678 1.1716 1.1716 1.2395 1.2395 1.2910 1.2910 2.0994 2.0994 2.1874 2.1874 2.4499 2.4499 2.4499 2.4499 4.2386 4.2386 8.0519 8.0519 9.1540 9.1540 9.1891 9.1891 9.2056 9.2056 9.6174 9.6174 k = 0.5000 0.5000 0.6060 ( 20996 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8816 -15.8816 -15.8816 -15.8816 -11.5765 -11.5765 -11.2094 -11.2094 -11.1963 -11.1963 -11.1726 -11.1726 -4.7521 -4.7521 -4.7431 -4.7431 -3.4637 -3.4637 -3.4359 -3.4359 -3.2786 -3.2786 -3.2691 -3.2691 -1.7309 -1.7309 -1.3551 -1.3551 -0.9881 -0.9881 -0.1840 -0.1840 -0.1272 -0.1272 0.0171 0.0171 0.0196 0.0196 0.6987 0.6987 1.0721 1.0721 1.1849 1.1849 1.2526 1.2526 1.2802 1.2802 2.1007 2.1007 2.1823 2.1823 2.4446 2.4446 2.4547 2.4547 4.2389 4.2389 8.0241 8.0241 9.1662 9.1662 9.2043 9.2043 9.2278 9.2278 9.6733 9.6733 k = 0.5000 0.5000 0.6293 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8806 -15.8806 -15.8806 -15.8806 -11.5754 -11.5754 -11.2102 -11.2102 -11.1971 -11.1971 -11.1717 -11.1717 -4.7561 -4.7561 -4.7452 -4.7452 -3.4729 -3.4729 -3.4420 -3.4420 -3.2789 -3.2789 -3.2649 -3.2649 -1.7334 -1.7334 -1.3543 -1.3543 -0.9997 -0.9997 -0.1934 -0.1934 -0.1366 -0.1366 0.0189 0.0189 0.0211 0.0211 0.7073 0.7073 1.0759 1.0759 1.1968 1.1968 1.2644 1.2644 1.2705 1.2705 2.1016 2.1016 2.1779 2.1779 2.4399 2.4399 2.4595 2.4595 4.2391 4.2391 7.9987 7.9987 9.1738 9.1738 9.2135 9.2135 9.2504 9.2504 9.6560 9.6560 k = 0.5000 0.5000 0.6526 ( 21024 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8798 -15.8798 -15.8798 -15.8798 -11.5744 -11.5744 -11.2109 -11.2109 -11.1979 -11.1979 -11.1710 -11.1710 -4.7596 -4.7596 -4.7471 -4.7471 -3.4811 -3.4811 -3.4473 -3.4473 -3.2791 -3.2791 -3.2610 -3.2610 -1.7357 -1.7357 -1.3536 -1.3536 -1.0100 -1.0100 -0.2017 -0.2017 -0.1450 -0.1450 0.0204 0.0204 0.0225 0.0225 0.7149 0.7149 1.0793 1.0793 1.2073 1.2073 1.2619 1.2619 1.2748 1.2748 2.1022 2.1022 2.1739 2.1739 2.4358 2.4358 2.4640 2.4640 4.2394 4.2394 7.9760 7.9760 9.1783 9.1783 9.2189 9.2189 9.2730 9.2730 9.6270 9.6270 k = 0.5000 0.5000 0.6759 ( 21036 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8790 -15.8790 -15.8790 -15.8790 -11.5735 -11.5735 -11.2115 -11.2115 -11.1985 -11.1985 -11.1703 -11.1703 -4.7627 -4.7627 -4.7487 -4.7487 -3.4881 -3.4881 -3.4520 -3.4520 -3.2792 -3.2792 -3.2576 -3.2576 -1.7376 -1.7376 -1.3530 -1.3530 -1.0189 -1.0189 -0.2088 -0.2088 -0.1523 -0.1523 0.0218 0.0218 0.0238 0.0238 0.7214 0.7214 1.0822 1.0822 1.2163 1.2163 1.2545 1.2545 1.2837 1.2837 2.1025 2.1025 2.1705 2.1705 2.4323 2.4323 2.4682 2.4682 4.2395 4.2395 7.9564 7.9564 9.1808 9.1808 9.2218 9.2218 9.2950 9.2950 9.5998 9.5998 k = 0.5000 0.5000 0.6992 ( 21012 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8784 -15.8784 -15.8784 -15.8784 -11.5728 -11.5728 -11.2120 -11.2120 -11.1990 -11.1990 -11.1697 -11.1697 -4.7652 -4.7652 -4.7501 -4.7501 -3.4939 -3.4939 -3.4558 -3.4558 -3.2793 -3.2793 -3.2547 -3.2547 -1.7391 -1.7391 -1.3526 -1.3526 -1.0263 -1.0263 -0.2147 -0.2147 -0.1584 -0.1584 0.0229 0.0229 0.0248 0.0248 0.7268 0.7268 1.0846 1.0846 1.2238 1.2238 1.2484 1.2484 1.2910 1.2910 2.1026 2.1026 2.1678 2.1678 2.4293 2.4293 2.4718 2.4718 4.2397 4.2397 7.9399 7.9399 9.1820 9.1820 9.2234 9.2234 9.3158 9.3158 9.5750 9.5750 k = 0.5000 0.5000 0.7225 ( 21044 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8780 -15.8780 -15.8780 -15.8780 -11.5722 -11.5722 -11.2124 -11.2124 -11.1994 -11.1994 -11.1693 -11.1693 -4.7672 -4.7672 -4.7512 -4.7512 -3.4984 -3.4984 -3.4588 -3.4588 -3.2794 -3.2794 -3.2524 -3.2524 -1.7404 -1.7404 -1.3522 -1.3522 -1.0322 -1.0322 -0.2194 -0.2194 -0.1631 -0.1631 0.0238 0.0238 0.0257 0.0257 0.7310 0.7310 1.0865 1.0865 1.2295 1.2295 1.2436 1.2436 1.2968 1.2968 2.1026 2.1026 2.1656 2.1656 2.4270 2.4270 2.4747 2.4747 4.2398 4.2398 7.9269 7.9269 9.1825 9.1825 9.2241 9.2241 9.3348 9.3348 9.5530 9.5530 k = 0.5000 0.5000 0.7458 ( 21052 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8776 -15.8776 -15.8776 -15.8776 -11.5718 -11.5718 -11.2127 -11.2127 -11.1997 -11.1997 -11.1690 -11.1690 -4.7686 -4.7686 -4.7520 -4.7520 -3.5017 -3.5017 -3.4610 -3.4610 -3.2794 -3.2794 -3.2507 -3.2507 -1.7413 -1.7413 -1.3519 -1.3519 -1.0364 -1.0364 -0.2227 -0.2227 -0.1666 -0.1666 0.0245 0.0245 0.0263 0.0263 0.7341 0.7341 1.0879 1.0879 1.2334 1.2334 1.2404 1.2404 1.3009 1.3009 2.1026 2.1026 2.1640 2.1640 2.4254 2.4254 2.4769 2.4769 4.2399 4.2399 7.9175 7.9175 9.1826 9.1826 9.2245 9.2245 9.3508 9.3508 9.5349 9.5349 k = 0.5000 0.5000 0.7691 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7447 -44.7447 -15.8774 -15.8774 -15.8774 -15.8774 -11.5715 -11.5715 -11.2129 -11.2129 -11.1998 -11.1998 -11.1688 -11.1688 -4.7695 -4.7695 -4.7524 -4.7524 -3.5036 -3.5036 -3.4623 -3.4623 -3.2794 -3.2794 -3.2497 -3.2497 -1.7418 -1.7418 -1.3517 -1.3517 -1.0390 -1.0390 -0.2247 -0.2247 -0.1687 -0.1687 0.0249 0.0249 0.0267 0.0267 0.7359 0.7359 1.0887 1.0887 1.2352 1.2352 1.2391 1.2391 1.3034 1.3034 2.1026 2.1026 2.1631 2.1631 2.4244 2.4244 2.4782 2.4782 4.2399 4.2399 7.9119 7.9119 9.1826 9.1827 9.2246 9.2246 9.3619 9.3619 9.5226 9.5226 k = 0.5000 0.5000 0.7924 ( 20992 PWs) bands (ev): -80.7393 -80.7393 -49.5951 -49.5951 -45.3937 -45.3937 -44.7448 -44.7448 -15.8773 -15.8773 -15.8773 -15.8773 -11.5715 -11.5715 -11.2129 -11.2129 -11.1999 -11.1999 -11.1688 -11.1688 -4.7698 -4.7698 -4.7526 -4.7526 -3.5043 -3.5043 -3.4628 -3.4628 -3.2794 -3.2794 -3.2494 -3.2494 -1.7420 -1.7420 -1.3517 -1.3517 -1.0398 -1.0398 -0.2254 -0.2254 -0.1694 -0.1694 0.0250 0.0250 0.0268 0.0268 0.7365 0.7365 1.0890 1.0890 1.2353 1.2353 1.2391 1.2391 1.3042 1.3042 2.1026 2.1026 2.1628 2.1628 2.4241 2.4241 2.4786 2.4786 4.2399 4.2399 7.9100 7.9100 9.1826 9.1826 9.2246 9.2246 9.3660 9.3660 9.5181 9.5181 Writing output data file Cs2PdCl4.save init_run : 1.02s CPU 1.41s WALL ( 1 calls) electrons : 590.45s CPU 599.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.28s WALL ( 1 calls) Called by electrons: c_bands : 590.44s CPU 599.49s 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 : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.32s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.20s CPU 0.25s WALL ( 259 calls) cegterg : 547.51s CPU 555.04s WALL ( 491 calls) Called by sum_band: Called by *egterg: h_psi : 331.69s CPU 336.37s WALL ( 7829 calls) s_psi : 17.62s CPU 17.77s WALL ( 7829 calls) g_psi : 0.73s CPU 0.72s WALL ( 7079 calls) cdiaghg : 157.59s CPU 158.05s WALL ( 7338 calls) cegterg:over : 28.02s CPU 28.19s WALL ( 7079 calls) cegterg:upda : 23.66s CPU 23.72s WALL ( 7079 calls) cegterg:last : 11.45s CPU 11.50s WALL ( 1010 calls) cdiaghg:chol : 6.64s CPU 6.62s WALL ( 7338 calls) cdiaghg:inve : 4.78s CPU 4.89s WALL ( 7338 calls) cdiaghg:para : 10.32s CPU 10.10s WALL ( 14676 calls) Called by h_psi: h_psi:vloc : 278.40s CPU 282.47s WALL ( 7829 calls) h_psi:vnl : 52.60s CPU 53.15s WALL ( 7829 calls) add_vuspsi : 28.60s CPU 29.22s WALL ( 7829 calls) General routines calbec : 23.95s CPU 23.90s WALL ( 7829 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 267.27s CPU 270.87s WALL ( 984136 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.07s CPU 0.33s WALL ( 518 calls) Parallel routines fft_scatter : 161.82s CPU 163.06s WALL ( 984159 calls) PWSCF : 11m10.49s CPU 11m40.94s WALL This run was terminated on: 9:21:57 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=