Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 3:58 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfBrN.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 23 6 2305 1123 178 Max 38 24 7 2312 1147 187 Sum 1347 837 251 83087 40809 6643 bravais-lattice index = 14 lattice parameter (alat) = 6.7291 a.u. unit-cell volume = 855.0651 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.729125 celldm(2)= 1.156028 celldm(3)= 2.427476 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 1.156028 0.000000 ) a(3) = ( 0.000000 0.000000 2.427476 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.865031 -0.000000 ) b(3) = ( 0.000000 0.000000 0.411950 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Br 7.00 79.90400 Br( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion 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 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 424 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0023585 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0023585 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0023585 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0023585 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0023585 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0023585 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0023585 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0023585 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0023585 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0023585 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0023585 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0023585 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0023585 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0023585 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0023585 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0023585 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0023585 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0023585 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0023585 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0023585 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0023585 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0023585 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0023585 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0023585 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0023585 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0023585 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0023585 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0023585 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0023585 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0023585 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0023585 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0023585 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0023585 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0023585 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0023585 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0023585 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0023585 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0023585 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 0.0110901 -0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 0.0221803 -0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.0332704 -0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.0443606 -0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.0554507 -0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.0665408 -0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.0776310 -0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.0887211 -0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.0998113 -0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.1109014 -0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.1219915 -0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.1330817 -0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.1441718 -0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.1552620 -0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.1663521 -0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.1774423 -0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.1885324 -0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.1996225 -0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.2107127 -0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.2218028 -0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.2328930 -0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.2439831 -0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.2550732 -0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.2661634 -0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.2772535 -0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.2883437 -0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.2994338 -0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.3105239 -0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.3216141 -0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.3327042 -0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.3437944 -0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.3548845 -0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.3659746 -0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.3770648 -0.0000000), wk = 0.0023585 k( 82) = ( 0.5000000 0.3881549 -0.0000000), wk = 0.0023585 k( 83) = ( 0.5000000 0.3992451 -0.0000000), wk = 0.0023585 k( 84) = ( 0.5000000 0.4103352 -0.0000000), wk = 0.0023585 k( 85) = ( 0.5000000 0.4214253 -0.0000000), wk = 0.0023585 k( 86) = ( 0.5000000 0.4325155 -0.0000000), wk = 0.0023585 k( 87) = ( 0.5000000 0.4325155 -0.0000000), wk = 0.0023585 k( 88) = ( 0.4888889 0.4325155 -0.0000000), wk = 0.0023585 k( 89) = ( 0.4777778 0.4325155 -0.0000000), wk = 0.0023585 k( 90) = ( 0.4666667 0.4325155 -0.0000000), wk = 0.0023585 k( 91) = ( 0.4555556 0.4325155 -0.0000000), wk = 0.0023585 k( 92) = ( 0.4444444 0.4325155 -0.0000000), wk = 0.0023585 k( 93) = ( 0.4333333 0.4325155 -0.0000000), wk = 0.0023585 k( 94) = ( 0.4222222 0.4325155 -0.0000000), wk = 0.0023585 k( 95) = ( 0.4111111 0.4325155 -0.0000000), wk = 0.0023585 k( 96) = ( 0.4000000 0.4325155 -0.0000000), wk = 0.0023585 k( 97) = ( 0.3888889 0.4325155 -0.0000000), wk = 0.0023585 k( 98) = ( 0.3777778 0.4325155 -0.0000000), wk = 0.0023585 k( 99) = ( 0.3666667 0.4325155 -0.0000000), wk = 0.0023585 k( 100) = ( 0.3555556 0.4325155 -0.0000000), wk = 0.0023585 k( 101) = ( 0.3444444 0.4325155 -0.0000000), wk = 0.0023585 k( 102) = ( 0.3333333 0.4325155 -0.0000000), wk = 0.0023585 k( 103) = ( 0.3222222 0.4325155 -0.0000000), wk = 0.0023585 k( 104) = ( 0.3111111 0.4325155 -0.0000000), wk = 0.0023585 k( 105) = ( 0.3000000 0.4325155 -0.0000000), wk = 0.0023585 k( 106) = ( 0.2888889 0.4325155 -0.0000000), wk = 0.0023585 k( 107) = ( 0.2777778 0.4325155 -0.0000000), wk = 0.0023585 k( 108) = ( 0.2666667 0.4325155 -0.0000000), wk = 0.0023585 k( 109) = ( 0.2555556 0.4325155 -0.0000000), wk = 0.0023585 k( 110) = ( 0.2444444 0.4325155 -0.0000000), wk = 0.0023585 k( 111) = ( 0.2333333 0.4325155 -0.0000000), wk = 0.0023585 k( 112) = ( 0.2222222 0.4325155 -0.0000000), wk = 0.0023585 k( 113) = ( 0.2111111 0.4325155 -0.0000000), wk = 0.0023585 k( 114) = ( 0.2000000 0.4325155 -0.0000000), wk = 0.0023585 k( 115) = ( 0.1888889 0.4325155 -0.0000000), wk = 0.0023585 k( 116) = ( 0.1777778 0.4325155 -0.0000000), wk = 0.0023585 k( 117) = ( 0.1666667 0.4325155 -0.0000000), wk = 0.0023585 k( 118) = ( 0.1555556 0.4325155 -0.0000000), wk = 0.0023585 k( 119) = ( 0.1444444 0.4325155 -0.0000000), wk = 0.0023585 k( 120) = ( 0.1333333 0.4325155 -0.0000000), wk = 0.0023585 k( 121) = ( 0.1222222 0.4325155 -0.0000000), wk = 0.0023585 k( 122) = ( 0.1111111 0.4325155 -0.0000000), wk = 0.0023585 k( 123) = ( 0.1000000 0.4325155 -0.0000000), wk = 0.0023585 k( 124) = ( 0.0888889 0.4325155 -0.0000000), wk = 0.0023585 k( 125) = ( 0.0777778 0.4325155 -0.0000000), wk = 0.0023585 k( 126) = ( 0.0666667 0.4325155 -0.0000000), wk = 0.0023585 k( 127) = ( 0.0555556 0.4325155 -0.0000000), wk = 0.0023585 k( 128) = ( 0.0444444 0.4325155 -0.0000000), wk = 0.0023585 k( 129) = ( 0.0333333 0.4325155 -0.0000000), wk = 0.0023585 k( 130) = ( 0.0222222 0.4325155 -0.0000000), wk = 0.0023585 k( 131) = ( 0.0111111 0.4325155 -0.0000000), wk = 0.0023585 k( 132) = ( 0.0000000 0.4325155 -0.0000000), wk = 0.0023585 k( 133) = ( 0.0000000 0.4325155 -0.0000000), wk = 0.0023585 k( 134) = ( 0.0000000 0.4214253 -0.0000000), wk = 0.0023585 k( 135) = ( 0.0000000 0.4103352 -0.0000000), wk = 0.0023585 k( 136) = ( 0.0000000 0.3992451 -0.0000000), wk = 0.0023585 k( 137) = ( 0.0000000 0.3881549 -0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.3770648 -0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.3659746 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.3548845 -0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.3437944 -0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.3327042 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.3216141 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.3105239 -0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.2994338 -0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.2883437 -0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.2772535 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.2661634 -0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.2550732 -0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.2439831 -0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.2328930 -0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.2218028 -0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.2107127 -0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.1996225 -0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.1885324 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.1774423 -0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.1663521 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.1552620 -0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.1441718 -0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.1330817 -0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.1219915 -0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.1109014 -0.0000000), wk = 0.0023585 k( 163) = ( 0.0000000 0.0998113 -0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.0887211 -0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.0776310 -0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.0665408 -0.0000000), wk = 0.0023585 k( 167) = ( 0.0000000 0.0554507 -0.0000000), wk = 0.0023585 k( 168) = ( 0.0000000 0.0443606 -0.0000000), wk = 0.0023585 k( 169) = ( 0.0000000 0.0332704 -0.0000000), wk = 0.0023585 k( 170) = ( 0.0000000 0.0221803 -0.0000000), wk = 0.0023585 k( 171) = ( 0.0000000 0.0110901 -0.0000000), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.0108408), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.0216816), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.0325224), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.0433632), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.0542040), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.0650448), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.0758856), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.0867264), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.0975672), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.1084080), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.1192488), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.1300896), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.1409304), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.1517712), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.1626120), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.1734528), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.1842936), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.1951344), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.2059752), wk = 0.0023585 k( 193) = ( 0.0000000 0.0000000 0.2059752), wk = 0.0023585 k( 194) = ( 0.0111111 -0.0000000 0.2059752), wk = 0.0023585 k( 195) = ( 0.0222222 -0.0000000 0.2059752), wk = 0.0023585 k( 196) = ( 0.0333333 -0.0000000 0.2059752), wk = 0.0023585 k( 197) = ( 0.0444444 -0.0000000 0.2059752), wk = 0.0023585 k( 198) = ( 0.0555556 -0.0000000 0.2059752), wk = 0.0023585 k( 199) = ( 0.0666667 -0.0000000 0.2059752), wk = 0.0023585 k( 200) = ( 0.0777778 -0.0000000 0.2059752), wk = 0.0023585 k( 201) = ( 0.0888889 -0.0000000 0.2059752), wk = 0.0023585 k( 202) = ( 0.1000000 -0.0000000 0.2059752), wk = 0.0023585 k( 203) = ( 0.1111111 -0.0000000 0.2059752), wk = 0.0023585 k( 204) = ( 0.1222222 -0.0000000 0.2059752), wk = 0.0023585 k( 205) = ( 0.1333333 -0.0000000 0.2059752), wk = 0.0023585 k( 206) = ( 0.1444444 -0.0000000 0.2059752), wk = 0.0023585 k( 207) = ( 0.1555556 -0.0000000 0.2059752), wk = 0.0023585 k( 208) = ( 0.1666667 -0.0000000 0.2059752), wk = 0.0023585 k( 209) = ( 0.1777778 -0.0000000 0.2059752), wk = 0.0023585 k( 210) = ( 0.1888889 -0.0000000 0.2059752), wk = 0.0023585 k( 211) = ( 0.2000000 -0.0000000 0.2059752), wk = 0.0023585 k( 212) = ( 0.2111111 -0.0000000 0.2059752), wk = 0.0023585 k( 213) = ( 0.2222222 -0.0000000 0.2059752), wk = 0.0023585 k( 214) = ( 0.2333333 -0.0000000 0.2059752), wk = 0.0023585 k( 215) = ( 0.2444444 -0.0000000 0.2059752), wk = 0.0023585 k( 216) = ( 0.2555556 -0.0000000 0.2059752), wk = 0.0023585 k( 217) = ( 0.2666667 -0.0000000 0.2059752), wk = 0.0023585 k( 218) = ( 0.2777778 -0.0000000 0.2059752), wk = 0.0023585 k( 219) = ( 0.2888889 -0.0000000 0.2059752), wk = 0.0023585 k( 220) = ( 0.3000000 -0.0000000 0.2059752), wk = 0.0023585 k( 221) = ( 0.3111111 -0.0000000 0.2059752), wk = 0.0023585 k( 222) = ( 0.3222222 -0.0000000 0.2059752), wk = 0.0023585 k( 223) = ( 0.3333333 -0.0000000 0.2059752), wk = 0.0023585 k( 224) = ( 0.3444444 -0.0000000 0.2059752), wk = 0.0023585 k( 225) = ( 0.3555556 -0.0000000 0.2059752), wk = 0.0023585 k( 226) = ( 0.3666667 -0.0000000 0.2059752), wk = 0.0023585 k( 227) = ( 0.3777778 -0.0000000 0.2059752), wk = 0.0023585 k( 228) = ( 0.3888889 -0.0000000 0.2059752), wk = 0.0023585 k( 229) = ( 0.4000000 -0.0000000 0.2059752), wk = 0.0023585 k( 230) = ( 0.4111111 -0.0000000 0.2059752), wk = 0.0023585 k( 231) = ( 0.4222222 -0.0000000 0.2059752), wk = 0.0023585 k( 232) = ( 0.4333333 -0.0000000 0.2059752), wk = 0.0023585 k( 233) = ( 0.4444444 -0.0000000 0.2059752), wk = 0.0023585 k( 234) = ( 0.4555556 -0.0000000 0.2059752), wk = 0.0023585 k( 235) = ( 0.4666667 -0.0000000 0.2059752), wk = 0.0023585 k( 236) = ( 0.4777778 -0.0000000 0.2059752), wk = 0.0023585 k( 237) = ( 0.4888889 -0.0000000 0.2059752), wk = 0.0023585 k( 238) = ( 0.5000000 -0.0000000 0.2059752), wk = 0.0023585 k( 239) = ( 0.5000000 -0.0000000 0.2059752), wk = 0.0023585 k( 240) = ( 0.5000000 0.0110901 0.2059752), wk = 0.0023585 k( 241) = ( 0.5000000 0.0221803 0.2059752), wk = 0.0023585 k( 242) = ( 0.5000000 0.0332704 0.2059752), wk = 0.0023585 k( 243) = ( 0.5000000 0.0443606 0.2059752), wk = 0.0023585 k( 244) = ( 0.5000000 0.0554507 0.2059752), wk = 0.0023585 k( 245) = ( 0.5000000 0.0665408 0.2059752), wk = 0.0023585 k( 246) = ( 0.5000000 0.0776310 0.2059752), wk = 0.0023585 k( 247) = ( 0.5000000 0.0887211 0.2059752), wk = 0.0023585 k( 248) = ( 0.5000000 0.0998113 0.2059752), wk = 0.0023585 k( 249) = ( 0.5000000 0.1109014 0.2059752), wk = 0.0023585 k( 250) = ( 0.5000000 0.1219915 0.2059752), wk = 0.0023585 k( 251) = ( 0.5000000 0.1330817 0.2059752), wk = 0.0023585 k( 252) = ( 0.5000000 0.1441718 0.2059752), wk = 0.0023585 k( 253) = ( 0.5000000 0.1552620 0.2059752), wk = 0.0023585 k( 254) = ( 0.5000000 0.1663521 0.2059752), wk = 0.0023585 k( 255) = ( 0.5000000 0.1774423 0.2059752), wk = 0.0023585 k( 256) = ( 0.5000000 0.1885324 0.2059752), wk = 0.0023585 k( 257) = ( 0.5000000 0.1996225 0.2059752), wk = 0.0023585 k( 258) = ( 0.5000000 0.2107127 0.2059752), wk = 0.0023585 k( 259) = ( 0.5000000 0.2218028 0.2059752), wk = 0.0023585 k( 260) = ( 0.5000000 0.2328930 0.2059752), wk = 0.0023585 k( 261) = ( 0.5000000 0.2439831 0.2059752), wk = 0.0023585 k( 262) = ( 0.5000000 0.2550732 0.2059752), wk = 0.0023585 k( 263) = ( 0.5000000 0.2661634 0.2059752), wk = 0.0023585 k( 264) = ( 0.5000000 0.2772535 0.2059752), wk = 0.0023585 k( 265) = ( 0.5000000 0.2883437 0.2059752), wk = 0.0023585 k( 266) = ( 0.5000000 0.2994338 0.2059752), wk = 0.0023585 k( 267) = ( 0.5000000 0.3105239 0.2059752), wk = 0.0023585 k( 268) = ( 0.5000000 0.3216141 0.2059752), wk = 0.0023585 k( 269) = ( 0.5000000 0.3327042 0.2059752), wk = 0.0023585 k( 270) = ( 0.5000000 0.3437944 0.2059752), wk = 0.0023585 k( 271) = ( 0.5000000 0.3548845 0.2059752), wk = 0.0023585 k( 272) = ( 0.5000000 0.3659746 0.2059752), wk = 0.0023585 k( 273) = ( 0.5000000 0.3770648 0.2059752), wk = 0.0023585 k( 274) = ( 0.5000000 0.3881549 0.2059752), wk = 0.0023585 k( 275) = ( 0.5000000 0.3992451 0.2059752), wk = 0.0023585 k( 276) = ( 0.5000000 0.4103352 0.2059752), wk = 0.0023585 k( 277) = ( 0.5000000 0.4214253 0.2059752), wk = 0.0023585 k( 278) = ( 0.5000000 0.4325155 0.2059752), wk = 0.0023585 k( 279) = ( 0.5000000 0.4325155 0.2059752), wk = 0.0023585 k( 280) = ( 0.4888889 0.4325155 0.2059752), wk = 0.0023585 k( 281) = ( 0.4777778 0.4325155 0.2059752), wk = 0.0023585 k( 282) = ( 0.4666667 0.4325155 0.2059752), wk = 0.0023585 k( 283) = ( 0.4555556 0.4325155 0.2059752), wk = 0.0023585 k( 284) = ( 0.4444444 0.4325155 0.2059752), wk = 0.0023585 k( 285) = ( 0.4333333 0.4325155 0.2059752), wk = 0.0023585 k( 286) = ( 0.4222222 0.4325155 0.2059752), wk = 0.0023585 k( 287) = ( 0.4111111 0.4325155 0.2059752), wk = 0.0023585 k( 288) = ( 0.4000000 0.4325155 0.2059752), wk = 0.0023585 k( 289) = ( 0.3888889 0.4325155 0.2059752), wk = 0.0023585 k( 290) = ( 0.3777778 0.4325155 0.2059752), wk = 0.0023585 k( 291) = ( 0.3666667 0.4325155 0.2059752), wk = 0.0023585 k( 292) = ( 0.3555556 0.4325155 0.2059752), wk = 0.0023585 k( 293) = ( 0.3444444 0.4325155 0.2059752), wk = 0.0023585 k( 294) = ( 0.3333333 0.4325155 0.2059752), wk = 0.0023585 k( 295) = ( 0.3222222 0.4325155 0.2059752), wk = 0.0023585 k( 296) = ( 0.3111111 0.4325155 0.2059752), wk = 0.0023585 k( 297) = ( 0.3000000 0.4325155 0.2059752), wk = 0.0023585 k( 298) = ( 0.2888889 0.4325155 0.2059752), wk = 0.0023585 k( 299) = ( 0.2777778 0.4325155 0.2059752), wk = 0.0023585 k( 300) = ( 0.2666667 0.4325155 0.2059752), wk = 0.0023585 k( 301) = ( 0.2555556 0.4325155 0.2059752), wk = 0.0023585 k( 302) = ( 0.2444444 0.4325155 0.2059752), wk = 0.0023585 k( 303) = ( 0.2333333 0.4325155 0.2059752), wk = 0.0023585 k( 304) = ( 0.2222222 0.4325155 0.2059752), wk = 0.0023585 k( 305) = ( 0.2111111 0.4325155 0.2059752), wk = 0.0023585 k( 306) = ( 0.2000000 0.4325155 0.2059752), wk = 0.0023585 k( 307) = ( 0.1888889 0.4325155 0.2059752), wk = 0.0023585 k( 308) = ( 0.1777778 0.4325155 0.2059752), wk = 0.0023585 k( 309) = ( 0.1666667 0.4325155 0.2059752), wk = 0.0023585 k( 310) = ( 0.1555556 0.4325155 0.2059752), wk = 0.0023585 k( 311) = ( 0.1444444 0.4325155 0.2059752), wk = 0.0023585 k( 312) = ( 0.1333333 0.4325155 0.2059752), wk = 0.0023585 k( 313) = ( 0.1222222 0.4325155 0.2059752), wk = 0.0023585 k( 314) = ( 0.1111111 0.4325155 0.2059752), wk = 0.0023585 k( 315) = ( 0.1000000 0.4325155 0.2059752), wk = 0.0023585 k( 316) = ( 0.0888889 0.4325155 0.2059752), wk = 0.0023585 k( 317) = ( 0.0777778 0.4325155 0.2059752), wk = 0.0023585 k( 318) = ( 0.0666667 0.4325155 0.2059752), wk = 0.0023585 k( 319) = ( 0.0555556 0.4325155 0.2059752), wk = 0.0023585 k( 320) = ( 0.0444444 0.4325155 0.2059752), wk = 0.0023585 k( 321) = ( 0.0333333 0.4325155 0.2059752), wk = 0.0023585 k( 322) = ( 0.0222222 0.4325155 0.2059752), wk = 0.0023585 k( 323) = ( 0.0111111 0.4325155 0.2059752), wk = 0.0023585 k( 324) = ( 0.0000000 0.4325155 0.2059752), wk = 0.0023585 k( 325) = ( 0.0000000 0.4325155 0.2059752), wk = 0.0023585 k( 326) = ( 0.0000000 0.4214253 0.2059752), wk = 0.0023585 k( 327) = ( 0.0000000 0.4103352 0.2059752), wk = 0.0023585 k( 328) = ( 0.0000000 0.3992451 0.2059752), wk = 0.0023585 k( 329) = ( 0.0000000 0.3881549 0.2059752), wk = 0.0023585 k( 330) = ( 0.0000000 0.3770648 0.2059752), wk = 0.0023585 k( 331) = ( 0.0000000 0.3659746 0.2059752), wk = 0.0023585 k( 332) = ( 0.0000000 0.3548845 0.2059752), wk = 0.0023585 k( 333) = ( 0.0000000 0.3437944 0.2059752), wk = 0.0023585 k( 334) = ( 0.0000000 0.3327042 0.2059752), wk = 0.0023585 k( 335) = ( 0.0000000 0.3216141 0.2059752), wk = 0.0023585 k( 336) = ( 0.0000000 0.3105239 0.2059752), wk = 0.0023585 k( 337) = ( 0.0000000 0.2994338 0.2059752), wk = 0.0023585 k( 338) = ( 0.0000000 0.2883437 0.2059752), wk = 0.0023585 k( 339) = ( 0.0000000 0.2772535 0.2059752), wk = 0.0023585 k( 340) = ( 0.0000000 0.2661634 0.2059752), wk = 0.0023585 k( 341) = ( 0.0000000 0.2550732 0.2059752), wk = 0.0023585 k( 342) = ( 0.0000000 0.2439831 0.2059752), wk = 0.0023585 k( 343) = ( 0.0000000 0.2328930 0.2059752), wk = 0.0023585 k( 344) = ( 0.0000000 0.2218028 0.2059752), wk = 0.0023585 k( 345) = ( 0.0000000 0.2107127 0.2059752), wk = 0.0023585 k( 346) = ( 0.0000000 0.1996225 0.2059752), wk = 0.0023585 k( 347) = ( 0.0000000 0.1885324 0.2059752), wk = 0.0023585 k( 348) = ( 0.0000000 0.1774423 0.2059752), wk = 0.0023585 k( 349) = ( 0.0000000 0.1663521 0.2059752), wk = 0.0023585 k( 350) = ( 0.0000000 0.1552620 0.2059752), wk = 0.0023585 k( 351) = ( 0.0000000 0.1441718 0.2059752), wk = 0.0023585 k( 352) = ( 0.0000000 0.1330817 0.2059752), wk = 0.0023585 k( 353) = ( 0.0000000 0.1219915 0.2059752), wk = 0.0023585 k( 354) = ( 0.0000000 0.1109014 0.2059752), wk = 0.0023585 k( 355) = ( 0.0000000 0.0998113 0.2059752), wk = 0.0023585 k( 356) = ( 0.0000000 0.0887211 0.2059752), wk = 0.0023585 k( 357) = ( 0.0000000 0.0776310 0.2059752), wk = 0.0023585 k( 358) = ( 0.0000000 0.0665408 0.2059752), wk = 0.0023585 k( 359) = ( 0.0000000 0.0554507 0.2059752), wk = 0.0023585 k( 360) = ( 0.0000000 0.0443606 0.2059752), wk = 0.0023585 k( 361) = ( 0.0000000 0.0332704 0.2059752), wk = 0.0023585 k( 362) = ( 0.0000000 0.0221803 0.2059752), wk = 0.0023585 k( 363) = ( 0.0000000 0.0110901 0.2059752), wk = 0.0023585 k( 364) = ( 0.0000000 0.0000000 0.2059752), wk = 0.0023585 k( 365) = ( 0.0000000 0.4325155 -0.0000000), wk = 0.0023585 k( 366) = ( 0.0000000 0.4325155 0.0108408), wk = 0.0023585 k( 367) = ( 0.0000000 0.4325155 0.0216816), wk = 0.0023585 k( 368) = ( 0.0000000 0.4325155 0.0325224), wk = 0.0023585 k( 369) = ( 0.0000000 0.4325155 0.0433632), wk = 0.0023585 k( 370) = ( 0.0000000 0.4325155 0.0542040), wk = 0.0023585 k( 371) = ( 0.0000000 0.4325155 0.0650448), wk = 0.0023585 k( 372) = ( 0.0000000 0.4325155 0.0758856), wk = 0.0023585 k( 373) = ( 0.0000000 0.4325155 0.0867264), wk = 0.0023585 k( 374) = ( 0.0000000 0.4325155 0.0975672), wk = 0.0023585 k( 375) = ( 0.0000000 0.4325155 0.1084080), wk = 0.0023585 k( 376) = ( 0.0000000 0.4325155 0.1192488), wk = 0.0023585 k( 377) = ( 0.0000000 0.4325155 0.1300896), wk = 0.0023585 k( 378) = ( 0.0000000 0.4325155 0.1409304), wk = 0.0023585 k( 379) = ( 0.0000000 0.4325155 0.1517712), wk = 0.0023585 k( 380) = ( 0.0000000 0.4325155 0.1626120), wk = 0.0023585 k( 381) = ( 0.0000000 0.4325155 0.1734528), wk = 0.0023585 k( 382) = ( 0.0000000 0.4325155 0.1842936), wk = 0.0023585 k( 383) = ( 0.0000000 0.4325155 0.1951344), wk = 0.0023585 k( 384) = ( 0.0000000 0.4325155 0.2059752), wk = 0.0023585 k( 385) = ( 0.5000000 -0.0000000 0.2059752), wk = 0.0023585 k( 386) = ( 0.5000000 -0.0000000 0.1951344), wk = 0.0023585 k( 387) = ( 0.5000000 -0.0000000 0.1842936), wk = 0.0023585 k( 388) = ( 0.5000000 -0.0000000 0.1734528), wk = 0.0023585 k( 389) = ( 0.5000000 -0.0000000 0.1626120), wk = 0.0023585 k( 390) = ( 0.5000000 -0.0000000 0.1517712), wk = 0.0023585 k( 391) = ( 0.5000000 -0.0000000 0.1409304), wk = 0.0023585 k( 392) = ( 0.5000000 -0.0000000 0.1300896), wk = 0.0023585 k( 393) = ( 0.5000000 -0.0000000 0.1192488), wk = 0.0023585 k( 394) = ( 0.5000000 -0.0000000 0.1084080), wk = 0.0023585 k( 395) = ( 0.5000000 -0.0000000 0.0975672), wk = 0.0023585 k( 396) = ( 0.5000000 -0.0000000 0.0867264), wk = 0.0023585 k( 397) = ( 0.5000000 -0.0000000 0.0758856), wk = 0.0023585 k( 398) = ( 0.5000000 -0.0000000 0.0650448), wk = 0.0023585 k( 399) = ( 0.5000000 -0.0000000 0.0542040), wk = 0.0023585 k( 400) = ( 0.5000000 -0.0000000 0.0433632), wk = 0.0023585 k( 401) = ( 0.5000000 -0.0000000 0.0325224), wk = 0.0023585 k( 402) = ( 0.5000000 -0.0000000 0.0216816), wk = 0.0023585 k( 403) = ( 0.5000000 -0.0000000 0.0108408), wk = 0.0023585 k( 404) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023585 k( 405) = ( 0.5000000 0.4325155 -0.0000000), wk = 0.0023585 k( 406) = ( 0.5000000 0.4325155 0.0108408), wk = 0.0023585 k( 407) = ( 0.5000000 0.4325155 0.0216816), wk = 0.0023585 k( 408) = ( 0.5000000 0.4325155 0.0325224), wk = 0.0023585 k( 409) = ( 0.5000000 0.4325155 0.0433632), wk = 0.0023585 k( 410) = ( 0.5000000 0.4325155 0.0542040), wk = 0.0023585 k( 411) = ( 0.5000000 0.4325155 0.0650448), wk = 0.0023585 k( 412) = ( 0.5000000 0.4325155 0.0758856), wk = 0.0023585 k( 413) = ( 0.5000000 0.4325155 0.0867264), wk = 0.0023585 k( 414) = ( 0.5000000 0.4325155 0.0975672), wk = 0.0023585 k( 415) = ( 0.5000000 0.4325155 0.1084080), wk = 0.0023585 k( 416) = ( 0.5000000 0.4325155 0.1192488), wk = 0.0023585 k( 417) = ( 0.5000000 0.4325155 0.1300896), wk = 0.0023585 k( 418) = ( 0.5000000 0.4325155 0.1409304), wk = 0.0023585 k( 419) = ( 0.5000000 0.4325155 0.1517712), wk = 0.0023585 k( 420) = ( 0.5000000 0.4325155 0.1626120), wk = 0.0023585 k( 421) = ( 0.5000000 0.4325155 0.1734528), wk = 0.0023585 k( 422) = ( 0.5000000 0.4325155 0.1842936), wk = 0.0023585 k( 423) = ( 0.5000000 0.4325155 0.1951344), wk = 0.0023585 k( 424) = ( 0.5000000 0.4325155 0.2059752), wk = 0.0023585 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0023585 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0023585 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0023585 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0023585 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0023585 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0023585 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0023585 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0023585 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0023585 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0023585 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0023585 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0023585 k( 14) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0023585 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0023585 k( 16) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0023585 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0023585 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0023585 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0023585 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0023585 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0023585 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0023585 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0023585 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0023585 k( 25) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0023585 k( 26) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0023585 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0023585 k( 28) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0023585 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0023585 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0023585 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0023585 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0023585 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0023585 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0023585 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0023585 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0023585 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0023585 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0023585 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0023585 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0023585 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0023585 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0023585 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0023585 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0023585 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0023585 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 48) = ( 0.5000000 0.0128205 0.0000000), wk = 0.0023585 k( 49) = ( 0.5000000 0.0256410 0.0000000), wk = 0.0023585 k( 50) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0023585 k( 51) = ( 0.5000000 0.0512821 0.0000000), wk = 0.0023585 k( 52) = ( 0.5000000 0.0641026 0.0000000), wk = 0.0023585 k( 53) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0023585 k( 54) = ( 0.5000000 0.0897436 0.0000000), wk = 0.0023585 k( 55) = ( 0.5000000 0.1025641 0.0000000), wk = 0.0023585 k( 56) = ( 0.5000000 0.1153846 0.0000000), wk = 0.0023585 k( 57) = ( 0.5000000 0.1282051 0.0000000), wk = 0.0023585 k( 58) = ( 0.5000000 0.1410256 0.0000000), wk = 0.0023585 k( 59) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0023585 k( 60) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0023585 k( 61) = ( 0.5000000 0.1794872 0.0000000), wk = 0.0023585 k( 62) = ( 0.5000000 0.1923077 0.0000000), wk = 0.0023585 k( 63) = ( 0.5000000 0.2051282 0.0000000), wk = 0.0023585 k( 64) = ( 0.5000000 0.2179487 -0.0000000), wk = 0.0023585 k( 65) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0023585 k( 66) = ( 0.5000000 0.2435897 -0.0000000), wk = 0.0023585 k( 67) = ( 0.5000000 0.2564103 -0.0000000), wk = 0.0023585 k( 68) = ( 0.5000000 0.2692308 0.0000000), wk = 0.0023585 k( 69) = ( 0.5000000 0.2820513 0.0000000), wk = 0.0023585 k( 70) = ( 0.5000000 0.2948718 0.0000000), wk = 0.0023585 k( 71) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0023585 k( 72) = ( 0.5000000 0.3205128 0.0000000), wk = 0.0023585 k( 73) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0023585 k( 74) = ( 0.5000000 0.3461539 0.0000000), wk = 0.0023585 k( 75) = ( 0.5000000 0.3589744 0.0000000), wk = 0.0023585 k( 76) = ( 0.5000000 0.3717949 0.0000000), wk = 0.0023585 k( 77) = ( 0.5000000 0.3846154 -0.0000000), wk = 0.0023585 k( 78) = ( 0.5000000 0.3974359 0.0000000), wk = 0.0023585 k( 79) = ( 0.5000000 0.4102564 0.0000000), wk = 0.0023585 k( 80) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0023585 k( 81) = ( 0.5000000 0.4358974 0.0000000), wk = 0.0023585 k( 82) = ( 0.5000000 0.4487180 0.0000000), wk = 0.0023585 k( 83) = ( 0.5000000 0.4615385 -0.0000000), wk = 0.0023585 k( 84) = ( 0.5000000 0.4743590 0.0000000), wk = 0.0023585 k( 85) = ( 0.5000000 0.4871795 0.0000000), wk = 0.0023585 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023585 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023585 k( 88) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0023585 k( 89) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023585 k( 90) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0023585 k( 91) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0023585 k( 92) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0023585 k( 93) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0023585 k( 94) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0023585 k( 95) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0023585 k( 96) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0023585 k( 97) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0023585 k( 98) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0023585 k( 99) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0023585 k( 100) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0023585 k( 101) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0023585 k( 102) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0023585 k( 103) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0023585 k( 104) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0023585 k( 105) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023585 k( 106) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023585 k( 107) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0023585 k( 108) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0023585 k( 109) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0023585 k( 110) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0023585 k( 111) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0023585 k( 112) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0023585 k( 113) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0023585 k( 114) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023585 k( 115) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0023585 k( 116) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0023585 k( 117) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0023585 k( 118) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0023585 k( 119) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0023585 k( 120) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0023585 k( 121) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0023585 k( 122) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0023585 k( 123) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0023585 k( 124) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0023585 k( 125) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0023585 k( 126) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0023585 k( 127) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0023585 k( 128) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0023585 k( 129) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0023585 k( 130) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0023585 k( 131) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023585 k( 132) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023585 k( 133) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023585 k( 134) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0023585 k( 135) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0023585 k( 136) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0023585 k( 137) = ( 0.0000000 0.4487180 0.0000000), wk = 0.0023585 k( 138) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0023585 k( 139) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0023585 k( 140) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0023585 k( 141) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0023585 k( 142) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0023585 k( 143) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0023585 k( 144) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0023585 k( 145) = ( 0.0000000 0.3461539 0.0000000), wk = 0.0023585 k( 146) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0023585 k( 147) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0023585 k( 148) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0023585 k( 149) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0023585 k( 150) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0023585 k( 151) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0023585 k( 152) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0023585 k( 153) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0023585 k( 154) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0023585 k( 155) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0023585 k( 156) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0023585 k( 157) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0023585 k( 158) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0023585 k( 159) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023585 k( 160) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0023585 k( 161) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0023585 k( 162) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0023585 k( 163) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0023585 k( 164) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0023585 k( 165) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0023585 k( 166) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0023585 k( 167) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0023585 k( 168) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0023585 k( 169) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0023585 k( 170) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0023585 k( 171) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0023585 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023585 k( 174) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0023585 k( 175) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0023585 k( 176) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0023585 k( 177) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0023585 k( 178) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0023585 k( 179) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0023585 k( 180) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0023585 k( 181) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0023585 k( 182) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0023585 k( 183) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0023585 k( 184) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0023585 k( 185) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0023585 k( 186) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0023585 k( 187) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0023585 k( 188) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0023585 k( 189) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0023585 k( 190) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0023585 k( 191) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0023585 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 194) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0023585 k( 195) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0023585 k( 196) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0023585 k( 197) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0023585 k( 198) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0023585 k( 199) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0023585 k( 200) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0023585 k( 201) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0023585 k( 202) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0023585 k( 203) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0023585 k( 204) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0023585 k( 205) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0023585 k( 206) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0023585 k( 207) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0023585 k( 208) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0023585 k( 209) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0023585 k( 210) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0023585 k( 211) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0023585 k( 212) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0023585 k( 213) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0023585 k( 214) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0023585 k( 215) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0023585 k( 216) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0023585 k( 217) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0023585 k( 218) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0023585 k( 219) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0023585 k( 220) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0023585 k( 221) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0023585 k( 222) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0023585 k( 223) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0023585 k( 224) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0023585 k( 225) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0023585 k( 226) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0023585 k( 227) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0023585 k( 228) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0023585 k( 229) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0023585 k( 230) = ( 0.4111111 -0.0000000 0.5000000), wk = 0.0023585 k( 231) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0023585 k( 232) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0023585 k( 233) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0023585 k( 234) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0023585 k( 235) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0023585 k( 236) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0023585 k( 237) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0023585 k( 238) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 239) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 240) = ( 0.5000000 0.0128205 0.5000000), wk = 0.0023585 k( 241) = ( 0.5000000 0.0256410 0.5000000), wk = 0.0023585 k( 242) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0023585 k( 243) = ( 0.5000000 0.0512821 0.5000000), wk = 0.0023585 k( 244) = ( 0.5000000 0.0641026 0.5000000), wk = 0.0023585 k( 245) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0023585 k( 246) = ( 0.5000000 0.0897436 0.5000000), wk = 0.0023585 k( 247) = ( 0.5000000 0.1025641 0.5000000), wk = 0.0023585 k( 248) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0023585 k( 249) = ( 0.5000000 0.1282051 0.5000000), wk = 0.0023585 k( 250) = ( 0.5000000 0.1410256 0.5000000), wk = 0.0023585 k( 251) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0023585 k( 252) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023585 k( 253) = ( 0.5000000 0.1794872 0.5000000), wk = 0.0023585 k( 254) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0023585 k( 255) = ( 0.5000000 0.2051282 0.5000000), wk = 0.0023585 k( 256) = ( 0.5000000 0.2179487 0.5000000), wk = 0.0023585 k( 257) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0023585 k( 258) = ( 0.5000000 0.2435897 0.5000000), wk = 0.0023585 k( 259) = ( 0.5000000 0.2564103 0.5000000), wk = 0.0023585 k( 260) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0023585 k( 261) = ( 0.5000000 0.2820513 0.5000000), wk = 0.0023585 k( 262) = ( 0.5000000 0.2948718 0.5000000), wk = 0.0023585 k( 263) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0023585 k( 264) = ( 0.5000000 0.3205128 0.5000000), wk = 0.0023585 k( 265) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023585 k( 266) = ( 0.5000000 0.3461539 0.5000000), wk = 0.0023585 k( 267) = ( 0.5000000 0.3589744 0.5000000), wk = 0.0023585 k( 268) = ( 0.5000000 0.3717949 0.5000000), wk = 0.0023585 k( 269) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0023585 k( 270) = ( 0.5000000 0.3974359 0.5000000), wk = 0.0023585 k( 271) = ( 0.5000000 0.4102564 0.5000000), wk = 0.0023585 k( 272) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0023585 k( 273) = ( 0.5000000 0.4358974 0.5000000), wk = 0.0023585 k( 274) = ( 0.5000000 0.4487180 0.5000000), wk = 0.0023585 k( 275) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0023585 k( 276) = ( 0.5000000 0.4743590 0.5000000), wk = 0.0023585 k( 277) = ( 0.5000000 0.4871795 0.5000000), wk = 0.0023585 k( 278) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 k( 280) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0023585 k( 281) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0023585 k( 282) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0023585 k( 283) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0023585 k( 284) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0023585 k( 285) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0023585 k( 286) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0023585 k( 287) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0023585 k( 288) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0023585 k( 289) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0023585 k( 290) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0023585 k( 291) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0023585 k( 292) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0023585 k( 293) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0023585 k( 294) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0023585 k( 295) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0023585 k( 296) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0023585 k( 297) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0023585 k( 298) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0023585 k( 299) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0023585 k( 300) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0023585 k( 301) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0023585 k( 302) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0023585 k( 303) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0023585 k( 304) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0023585 k( 305) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0023585 k( 306) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0023585 k( 307) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0023585 k( 308) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0023585 k( 309) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0023585 k( 310) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0023585 k( 311) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0023585 k( 312) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0023585 k( 313) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0023585 k( 314) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0023585 k( 315) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0023585 k( 316) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0023585 k( 317) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0023585 k( 318) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0023585 k( 319) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0023585 k( 320) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0023585 k( 321) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0023585 k( 322) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0023585 k( 323) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0023585 k( 324) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 325) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 326) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0023585 k( 327) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0023585 k( 328) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0023585 k( 329) = ( 0.0000000 0.4487180 0.5000000), wk = 0.0023585 k( 330) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0023585 k( 331) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0023585 k( 332) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0023585 k( 333) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0023585 k( 334) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0023585 k( 335) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0023585 k( 336) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0023585 k( 337) = ( 0.0000000 0.3461539 0.5000000), wk = 0.0023585 k( 338) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023585 k( 339) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0023585 k( 340) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0023585 k( 341) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0023585 k( 342) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0023585 k( 343) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0023585 k( 344) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0023585 k( 345) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0023585 k( 346) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0023585 k( 347) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0023585 k( 348) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0023585 k( 349) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0023585 k( 350) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0023585 k( 351) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023585 k( 352) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0023585 k( 353) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0023585 k( 354) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0023585 k( 355) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0023585 k( 356) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0023585 k( 357) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0023585 k( 358) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0023585 k( 359) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0023585 k( 360) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0023585 k( 361) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0023585 k( 362) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0023585 k( 363) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0023585 k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023585 k( 365) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023585 k( 366) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0023585 k( 367) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0023585 k( 368) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0023585 k( 369) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0023585 k( 370) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0023585 k( 371) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0023585 k( 372) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0023585 k( 373) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0023585 k( 374) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0023585 k( 375) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0023585 k( 376) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0023585 k( 377) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0023585 k( 378) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0023585 k( 379) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0023585 k( 380) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0023585 k( 381) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0023585 k( 382) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0023585 k( 383) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0023585 k( 384) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023585 k( 385) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023585 k( 386) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0023585 k( 387) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0023585 k( 388) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0023585 k( 389) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0023585 k( 390) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0023585 k( 391) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0023585 k( 392) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0023585 k( 393) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0023585 k( 394) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0023585 k( 395) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0023585 k( 396) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0023585 k( 397) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0023585 k( 398) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0023585 k( 399) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0023585 k( 400) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0023585 k( 401) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0023585 k( 402) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0023585 k( 403) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0023585 k( 404) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023585 k( 405) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023585 k( 406) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0023585 k( 407) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0023585 k( 408) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0023585 k( 409) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0023585 k( 410) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0023585 k( 411) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0023585 k( 412) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0023585 k( 413) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0023585 k( 414) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0023585 k( 415) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0023585 k( 416) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0023585 k( 417) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0023585 k( 418) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0023585 k( 419) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0023585 k( 420) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0023585 k( 421) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0023585 k( 422) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0023585 k( 423) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0023585 k( 424) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023585 Dense grid: 83087 G-vectors FFT dimensions: ( 40, 45, 96) Smooth grid: 40809 G-vectors FFT dimensions: ( 32, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 296, 58) NL pseudopotentials 0.28 Mb ( 148, 124) Each V/rho on FFT grid 0.08 Mb ( 5400) Each G-vector array 0.02 Mb ( 2307) G-vector shells 0.01 Mb ( 1126) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 296, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 124, 2, 58) The potential is recalculated from file : ./HfBrN.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.1 secs Computing kpt #: 14 total cpu time spent up to now is 11.6 secs Computing kpt #: 15 total cpu time spent up to now is 12.1 secs Computing kpt #: 16 total cpu time spent up to now is 12.6 secs Computing kpt #: 17 total cpu time spent up to now is 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.1 secs Computing kpt #: 22 total cpu time spent up to now is 15.6 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.6 secs Computing kpt #: 25 total cpu time spent up to now is 17.1 secs Computing kpt #: 26 total cpu time spent up to now is 17.6 secs Computing kpt #: 27 total cpu time spent up to now is 18.1 secs Computing kpt #: 28 total cpu time spent up to now is 18.7 secs Computing kpt #: 29 total cpu time spent up to now is 19.2 secs Computing kpt #: 30 total cpu time spent up to now is 19.7 secs Computing kpt #: 31 total cpu time spent up to now is 20.2 secs Computing kpt #: 32 total cpu time spent up to now is 20.7 secs Computing kpt #: 33 total cpu time spent up to now is 21.3 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.3 secs Computing kpt #: 36 total cpu time spent up to now is 22.9 secs Computing kpt #: 37 total cpu time spent up to now is 23.4 secs Computing kpt #: 38 total cpu time spent up to now is 23.9 secs Computing kpt #: 39 total cpu time spent up to now is 24.4 secs Computing kpt #: 40 total cpu time spent up to now is 25.0 secs Computing kpt #: 41 total cpu time spent up to now is 25.5 secs Computing kpt #: 42 total cpu time spent up to now is 26.0 secs Computing kpt #: 43 total cpu time spent up to now is 26.6 secs Computing kpt #: 44 total cpu time spent up to now is 27.1 secs Computing kpt #: 45 total cpu time spent up to now is 27.7 secs Computing kpt #: 46 total cpu time spent up to now is 28.2 secs Computing kpt #: 47 total cpu time spent up to now is 28.7 secs Computing kpt #: 48 total cpu time spent up to now is 29.2 secs Computing kpt #: 49 total cpu time spent up to now is 29.8 secs Computing kpt #: 50 total cpu time spent up to now is 30.3 secs Computing kpt #: 51 total cpu time spent up to now is 30.8 secs Computing kpt #: 52 total cpu time spent up to now is 31.3 secs Computing kpt #: 53 total cpu time spent up to now is 31.8 secs Computing kpt #: 54 total cpu time spent up to now is 32.4 secs Computing kpt #: 55 total cpu time spent up to now is 32.9 secs Computing kpt #: 56 total cpu time spent up to now is 33.4 secs Computing kpt #: 57 total cpu time spent up to now is 33.9 secs Computing kpt #: 58 total cpu time spent up to now is 34.4 secs Computing kpt #: 59 total cpu time spent up to now is 34.9 secs Computing kpt #: 60 total cpu time spent up to now is 35.4 secs Computing kpt #: 61 total cpu time spent up to now is 35.9 secs Computing kpt #: 62 total cpu time spent up to now is 36.4 secs Computing kpt #: 63 total cpu time spent up to now is 36.9 secs Computing kpt #: 64 total cpu time spent up to now is 37.4 secs Computing kpt #: 65 total cpu time spent up to now is 38.0 secs Computing kpt #: 66 total cpu time spent up to now is 38.5 secs Computing kpt #: 67 total cpu time spent up to now is 39.0 secs Computing kpt #: 68 total cpu time spent up to now is 39.5 secs Computing kpt #: 69 total cpu time spent up to now is 40.1 secs Computing kpt #: 70 total cpu time spent up to now is 40.6 secs Computing kpt #: 71 total cpu time spent up to now is 41.1 secs Computing kpt #: 72 total cpu time spent up to now is 41.7 secs Computing kpt #: 73 total cpu time spent up to now is 42.2 secs Computing kpt #: 74 total cpu time spent up to now is 42.8 secs Computing kpt #: 75 total cpu time spent up to now is 43.3 secs Computing kpt #: 76 total cpu time spent up to now is 43.9 secs Computing kpt #: 77 total cpu time spent up to now is 44.4 secs Computing kpt #: 78 total cpu time spent up to now is 45.0 secs Computing kpt #: 79 total cpu time spent up to now is 45.5 secs Computing kpt #: 80 total cpu time spent up to now is 46.1 secs Computing kpt #: 81 total cpu time spent up to now is 46.7 secs Computing kpt #: 82 total cpu time spent up to now is 47.2 secs Computing kpt #: 83 total cpu time spent up to now is 47.8 secs Computing kpt #: 84 total cpu time spent up to now is 48.4 secs Computing kpt #: 85 total cpu time spent up to now is 49.0 secs Computing kpt #: 86 total cpu time spent up to now is 49.5 secs Computing kpt #: 87 total cpu time spent up to now is 50.0 secs Computing kpt #: 88 total cpu time spent up to now is 50.5 secs Computing kpt #: 89 total cpu time spent up to now is 51.1 secs Computing kpt #: 90 total cpu time spent up to now is 51.8 secs Computing kpt #: 91 total cpu time spent up to now is 52.4 secs Computing kpt #: 92 total cpu time spent up to now is 53.0 secs Computing kpt #: 93 total cpu time spent up to now is 53.7 secs Computing kpt #: 94 total cpu time spent up to now is 54.3 secs Computing kpt #: 95 total cpu time spent up to now is 54.8 secs Computing kpt #: 96 total cpu time spent up to now is 55.4 secs Computing kpt #: 97 total cpu time spent up to now is 55.9 secs Computing kpt #: 98 total cpu time spent up to now is 56.5 secs Computing kpt #: 99 total cpu time spent up to now is 57.0 secs Computing kpt #: 100 total cpu time spent up to now is 57.6 secs Computing kpt #: 101 total cpu time spent up to now is 58.1 secs Computing kpt #: 102 total cpu time spent up to now is 58.7 secs Computing kpt #: 103 total cpu time spent up to now is 59.2 secs Computing kpt #: 104 total cpu time spent up to now is 59.7 secs Computing kpt #: 105 total cpu time spent up to now is 60.3 secs Computing kpt #: 106 total cpu time spent up to now is 60.8 secs Computing kpt #: 107 total cpu time spent up to now is 61.3 secs Computing kpt #: 108 total cpu time spent up to now is 61.8 secs Computing kpt #: 109 total cpu time spent up to now is 62.4 secs Computing kpt #: 110 total cpu time spent up to now is 62.9 secs Computing kpt #: 111 total cpu time spent up to now is 63.4 secs Computing kpt #: 112 total cpu time spent up to now is 63.9 secs Computing kpt #: 113 total cpu time spent up to now is 64.5 secs Computing kpt #: 114 total cpu time spent up to now is 65.0 secs Computing kpt #: 115 total cpu time spent up to now is 65.5 secs Computing kpt #: 116 total cpu time spent up to now is 66.0 secs Computing kpt #: 117 total cpu time spent up to now is 66.5 secs Computing kpt #: 118 total cpu time spent up to now is 67.0 secs Computing kpt #: 119 total cpu time spent up to now is 67.5 secs Computing kpt #: 120 total cpu time spent up to now is 68.0 secs Computing kpt #: 121 total cpu time spent up to now is 68.5 secs Computing kpt #: 122 total cpu time spent up to now is 69.0 secs Computing kpt #: 123 total cpu time spent up to now is 69.5 secs Computing kpt #: 124 total cpu time spent up to now is 70.0 secs Computing kpt #: 125 total cpu time spent up to now is 70.5 secs Computing kpt #: 126 total cpu time spent up to now is 71.0 secs Computing kpt #: 127 total cpu time spent up to now is 71.5 secs Computing kpt #: 128 total cpu time spent up to now is 72.0 secs Computing kpt #: 129 total cpu time spent up to now is 72.6 secs Computing kpt #: 130 total cpu time spent up to now is 73.1 secs Computing kpt #: 131 total cpu time spent up to now is 73.7 secs Computing kpt #: 132 total cpu time spent up to now is 74.3 secs Computing kpt #: 133 total cpu time spent up to now is 74.8 secs Computing kpt #: 134 total cpu time spent up to now is 75.4 secs Computing kpt #: 135 total cpu time spent up to now is 76.0 secs Computing kpt #: 136 total cpu time spent up to now is 76.5 secs Computing kpt #: 137 total cpu time spent up to now is 77.1 secs Computing kpt #: 138 total cpu time spent up to now is 77.6 secs Computing kpt #: 139 total cpu time spent up to now is 78.2 secs Computing kpt #: 140 total cpu time spent up to now is 78.7 secs Computing kpt #: 141 total cpu time spent up to now is 79.2 secs Computing kpt #: 142 total cpu time spent up to now is 79.8 secs Computing kpt #: 143 total cpu time spent up to now is 80.3 secs Computing kpt #: 144 total cpu time spent up to now is 80.9 secs Computing kpt #: 145 total cpu time spent up to now is 81.4 secs Computing kpt #: 146 total cpu time spent up to now is 81.9 secs Computing kpt #: 147 total cpu time spent up to now is 82.4 secs Computing kpt #: 148 total cpu time spent up to now is 83.0 secs Computing kpt #: 149 total cpu time spent up to now is 83.6 secs Computing kpt #: 150 total cpu time spent up to now is 84.1 secs Computing kpt #: 151 total cpu time spent up to now is 84.7 secs Computing kpt #: 152 total cpu time spent up to now is 85.3 secs Computing kpt #: 153 total cpu time spent up to now is 85.8 secs Computing kpt #: 154 total cpu time spent up to now is 86.4 secs Computing kpt #: 155 total cpu time spent up to now is 87.0 secs Computing kpt #: 156 total cpu time spent up to now is 87.5 secs Computing kpt #: 157 total cpu time spent up to now is 88.1 secs Computing kpt #: 158 total cpu time spent up to now is 88.7 secs Computing kpt #: 159 total cpu time spent up to now is 89.3 secs Computing kpt #: 160 total cpu time spent up to now is 90.0 secs Computing kpt #: 161 total cpu time spent up to now is 90.6 secs Computing kpt #: 162 total cpu time spent up to now is 91.2 secs Computing kpt #: 163 total cpu time spent up to now is 91.8 secs Computing kpt #: 164 total cpu time spent up to now is 92.4 secs Computing kpt #: 165 total cpu time spent up to now is 93.0 secs Computing kpt #: 166 total cpu time spent up to now is 93.6 secs Computing kpt #: 167 total cpu time spent up to now is 94.2 secs Computing kpt #: 168 total cpu time spent up to now is 94.8 secs Computing kpt #: 169 total cpu time spent up to now is 95.4 secs Computing kpt #: 170 total cpu time spent up to now is 96.0 secs Computing kpt #: 171 total cpu time spent up to now is 96.6 secs Computing kpt #: 172 total cpu time spent up to now is 97.3 secs Computing kpt #: 173 total cpu time spent up to now is 97.9 secs Computing kpt #: 174 total cpu time spent up to now is 98.5 secs Computing kpt #: 175 total cpu time spent up to now is 99.1 secs Computing kpt #: 176 total cpu time spent up to now is 99.7 secs Computing kpt #: 177 total cpu time spent up to now is 100.3 secs Computing kpt #: 178 total cpu time spent up to now is 100.9 secs Computing kpt #: 179 total cpu time spent up to now is 101.5 secs Computing kpt #: 180 total cpu time spent up to now is 102.1 secs Computing kpt #: 181 total cpu time spent up to now is 102.7 secs Computing kpt #: 182 total cpu time spent up to now is 103.3 secs Computing kpt #: 183 total cpu time spent up to now is 103.9 secs Computing kpt #: 184 total cpu time spent up to now is 104.6 secs Computing kpt #: 185 total cpu time spent up to now is 105.2 secs Computing kpt #: 186 total cpu time spent up to now is 105.8 secs Computing kpt #: 187 total cpu time spent up to now is 106.3 secs Computing kpt #: 188 total cpu time spent up to now is 106.8 secs Computing kpt #: 189 total cpu time spent up to now is 107.3 secs Computing kpt #: 190 total cpu time spent up to now is 107.8 secs Computing kpt #: 191 total cpu time spent up to now is 108.2 secs Computing kpt #: 192 total cpu time spent up to now is 108.7 secs Computing kpt #: 193 total cpu time spent up to now is 109.2 secs Computing kpt #: 194 total cpu time spent up to now is 109.7 secs Computing kpt #: 195 total cpu time spent up to now is 110.2 secs Computing kpt #: 196 total cpu time spent up to now is 110.7 secs Computing kpt #: 197 total cpu time spent up to now is 111.2 secs Computing kpt #: 198 total cpu time spent up to now is 111.7 secs Computing kpt #: 199 total cpu time spent up to now is 112.2 secs Computing kpt #: 200 total cpu time spent up to now is 112.7 secs Computing kpt #: 201 total cpu time spent up to now is 113.2 secs Computing kpt #: 202 total cpu time spent up to now is 113.7 secs Computing kpt #: 203 total cpu time spent up to now is 114.2 secs Computing kpt #: 204 total cpu time spent up to now is 114.7 secs Computing kpt #: 205 total cpu time spent up to now is 115.3 secs Computing kpt #: 206 total cpu time spent up to now is 115.8 secs Computing kpt #: 207 total cpu time spent up to now is 116.3 secs Computing kpt #: 208 total cpu time spent up to now is 116.8 secs Computing kpt #: 209 total cpu time spent up to now is 117.3 secs Computing kpt #: 210 total cpu time spent up to now is 117.9 secs Computing kpt #: 211 total cpu time spent up to now is 118.4 secs Computing kpt #: 212 total cpu time spent up to now is 118.9 secs Computing kpt #: 213 total cpu time spent up to now is 119.4 secs Computing kpt #: 214 total cpu time spent up to now is 120.0 secs Computing kpt #: 215 total cpu time spent up to now is 120.5 secs Computing kpt #: 216 total cpu time spent up to now is 121.0 secs Computing kpt #: 217 total cpu time spent up to now is 121.6 secs Computing kpt #: 218 total cpu time spent up to now is 122.1 secs Computing kpt #: 219 total cpu time spent up to now is 122.6 secs Computing kpt #: 220 total cpu time spent up to now is 123.2 secs Computing kpt #: 221 total cpu time spent up to now is 123.7 secs Computing kpt #: 222 total cpu time spent up to now is 124.2 secs Computing kpt #: 223 total cpu time spent up to now is 124.8 secs Computing kpt #: 224 total cpu time spent up to now is 125.3 secs Computing kpt #: 225 total cpu time spent up to now is 125.8 secs Computing kpt #: 226 total cpu time spent up to now is 126.4 secs Computing kpt #: 227 total cpu time spent up to now is 126.9 secs Computing kpt #: 228 total cpu time spent up to now is 127.4 secs Computing kpt #: 229 total cpu time spent up to now is 128.0 secs Computing kpt #: 230 total cpu time spent up to now is 128.5 secs Computing kpt #: 231 total cpu time spent up to now is 129.0 secs Computing kpt #: 232 total cpu time spent up to now is 129.6 secs Computing kpt #: 233 total cpu time spent up to now is 130.1 secs Computing kpt #: 234 total cpu time spent up to now is 130.6 secs Computing kpt #: 235 total cpu time spent up to now is 131.2 secs Computing kpt #: 236 total cpu time spent up to now is 131.7 secs Computing kpt #: 237 total cpu time spent up to now is 132.3 secs Computing kpt #: 238 total cpu time spent up to now is 132.8 secs Computing kpt #: 239 total cpu time spent up to now is 133.3 secs Computing kpt #: 240 total cpu time spent up to now is 133.8 secs Computing kpt #: 241 total cpu time spent up to now is 134.4 secs Computing kpt #: 242 total cpu time spent up to now is 134.9 secs Computing kpt #: 243 total cpu time spent up to now is 135.5 secs Computing kpt #: 244 total cpu time spent up to now is 136.0 secs Computing kpt #: 245 total cpu time spent up to now is 136.5 secs Computing kpt #: 246 total cpu time spent up to now is 137.0 secs Computing kpt #: 247 total cpu time spent up to now is 137.5 secs Computing kpt #: 248 total cpu time spent up to now is 138.0 secs Computing kpt #: 249 total cpu time spent up to now is 138.5 secs Computing kpt #: 250 total cpu time spent up to now is 139.1 secs Computing kpt #: 251 total cpu time spent up to now is 139.6 secs Computing kpt #: 252 total cpu time spent up to now is 140.1 secs Computing kpt #: 253 total cpu time spent up to now is 140.6 secs Computing kpt #: 254 total cpu time spent up to now is 141.1 secs Computing kpt #: 255 total cpu time spent up to now is 141.6 secs Computing kpt #: 256 total cpu time spent up to now is 142.1 secs Computing kpt #: 257 total cpu time spent up to now is 142.7 secs Computing kpt #: 258 total cpu time spent up to now is 143.2 secs Computing kpt #: 259 total cpu time spent up to now is 143.7 secs Computing kpt #: 260 total cpu time spent up to now is 144.2 secs Computing kpt #: 261 total cpu time spent up to now is 144.7 secs Computing kpt #: 262 total cpu time spent up to now is 145.2 secs Computing kpt #: 263 total cpu time spent up to now is 145.8 secs Computing kpt #: 264 total cpu time spent up to now is 146.3 secs Computing kpt #: 265 total cpu time spent up to now is 146.8 secs Computing kpt #: 266 total cpu time spent up to now is 147.3 secs Computing kpt #: 267 total cpu time spent up to now is 147.8 secs Computing kpt #: 268 total cpu time spent up to now is 148.4 secs Computing kpt #: 269 total cpu time spent up to now is 148.9 secs Computing kpt #: 270 total cpu time spent up to now is 149.5 secs Computing kpt #: 271 total cpu time spent up to now is 150.0 secs Computing kpt #: 272 total cpu time spent up to now is 150.6 secs Computing kpt #: 273 total cpu time spent up to now is 151.1 secs Computing kpt #: 274 total cpu time spent up to now is 151.7 secs Computing kpt #: 275 total cpu time spent up to now is 152.2 secs Computing kpt #: 276 total cpu time spent up to now is 152.8 secs Computing kpt #: 277 total cpu time spent up to now is 153.4 secs Computing kpt #: 278 total cpu time spent up to now is 153.8 secs Computing kpt #: 279 total cpu time spent up to now is 154.3 secs Computing kpt #: 280 total cpu time spent up to now is 154.9 secs Computing kpt #: 281 total cpu time spent up to now is 155.5 secs Computing kpt #: 282 total cpu time spent up to now is 156.0 secs Computing kpt #: 283 total cpu time spent up to now is 156.6 secs Computing kpt #: 284 total cpu time spent up to now is 157.2 secs Computing kpt #: 285 total cpu time spent up to now is 157.7 secs Computing kpt #: 286 total cpu time spent up to now is 158.3 secs Computing kpt #: 287 total cpu time spent up to now is 158.8 secs Computing kpt #: 288 total cpu time spent up to now is 159.4 secs Computing kpt #: 289 total cpu time spent up to now is 160.0 secs Computing kpt #: 290 total cpu time spent up to now is 160.5 secs Computing kpt #: 291 total cpu time spent up to now is 161.1 secs Computing kpt #: 292 total cpu time spent up to now is 161.7 secs Computing kpt #: 293 total cpu time spent up to now is 162.4 secs Computing kpt #: 294 total cpu time spent up to now is 163.0 secs Computing kpt #: 295 total cpu time spent up to now is 163.6 secs Computing kpt #: 296 total cpu time spent up to now is 164.2 secs Computing kpt #: 297 total cpu time spent up to now is 164.7 secs Computing kpt #: 298 total cpu time spent up to now is 165.3 secs Computing kpt #: 299 total cpu time spent up to now is 165.8 secs Computing kpt #: 300 total cpu time spent up to now is 166.3 secs Computing kpt #: 301 total cpu time spent up to now is 166.9 secs Computing kpt #: 302 total cpu time spent up to now is 167.4 secs Computing kpt #: 303 total cpu time spent up to now is 168.0 secs Computing kpt #: 304 total cpu time spent up to now is 168.5 secs Computing kpt #: 305 total cpu time spent up to now is 169.0 secs Computing kpt #: 306 total cpu time spent up to now is 169.5 secs Computing kpt #: 307 total cpu time spent up to now is 170.0 secs Computing kpt #: 308 total cpu time spent up to now is 170.5 secs Computing kpt #: 309 total cpu time spent up to now is 171.0 secs Computing kpt #: 310 total cpu time spent up to now is 171.6 secs Computing kpt #: 311 total cpu time spent up to now is 172.1 secs Computing kpt #: 312 total cpu time spent up to now is 172.6 secs Computing kpt #: 313 total cpu time spent up to now is 173.0 secs Computing kpt #: 314 total cpu time spent up to now is 173.6 secs Computing kpt #: 315 total cpu time spent up to now is 174.1 secs Computing kpt #: 316 total cpu time spent up to now is 174.6 secs Computing kpt #: 317 total cpu time spent up to now is 175.1 secs Computing kpt #: 318 total cpu time spent up to now is 175.6 secs Computing kpt #: 319 total cpu time spent up to now is 176.2 secs Computing kpt #: 320 total cpu time spent up to now is 176.7 secs Computing kpt #: 321 total cpu time spent up to now is 177.2 secs Computing kpt #: 322 total cpu time spent up to now is 177.7 secs Computing kpt #: 323 total cpu time spent up to now is 178.3 secs Computing kpt #: 324 total cpu time spent up to now is 178.8 secs Computing kpt #: 325 total cpu time spent up to now is 179.3 secs Computing kpt #: 326 total cpu time spent up to now is 179.8 secs Computing kpt #: 327 total cpu time spent up to now is 180.3 secs Computing kpt #: 328 total cpu time spent up to now is 180.8 secs Computing kpt #: 329 total cpu time spent up to now is 181.3 secs Computing kpt #: 330 total cpu time spent up to now is 181.8 secs Computing kpt #: 331 total cpu time spent up to now is 182.3 secs Computing kpt #: 332 total cpu time spent up to now is 182.8 secs Computing kpt #: 333 total cpu time spent up to now is 183.3 secs Computing kpt #: 334 total cpu time spent up to now is 183.8 secs Computing kpt #: 335 total cpu time spent up to now is 184.3 secs Computing kpt #: 336 total cpu time spent up to now is 184.8 secs Computing kpt #: 337 total cpu time spent up to now is 185.3 secs Computing kpt #: 338 total cpu time spent up to now is 185.8 secs Computing kpt #: 339 total cpu time spent up to now is 186.3 secs Computing kpt #: 340 total cpu time spent up to now is 186.8 secs Computing kpt #: 341 total cpu time spent up to now is 187.3 secs Computing kpt #: 342 total cpu time spent up to now is 187.8 secs Computing kpt #: 343 total cpu time spent up to now is 188.3 secs Computing kpt #: 344 total cpu time spent up to now is 188.8 secs Computing kpt #: 345 total cpu time spent up to now is 189.3 secs Computing kpt #: 346 total cpu time spent up to now is 189.9 secs Computing kpt #: 347 total cpu time spent up to now is 190.4 secs Computing kpt #: 348 total cpu time spent up to now is 191.0 secs Computing kpt #: 349 total cpu time spent up to now is 191.6 secs Computing kpt #: 350 total cpu time spent up to now is 192.2 secs Computing kpt #: 351 total cpu time spent up to now is 192.8 secs Computing kpt #: 352 total cpu time spent up to now is 193.4 secs Computing kpt #: 353 total cpu time spent up to now is 194.0 secs Computing kpt #: 354 total cpu time spent up to now is 194.7 secs Computing kpt #: 355 total cpu time spent up to now is 195.3 secs Computing kpt #: 356 total cpu time spent up to now is 195.9 secs Computing kpt #: 357 total cpu time spent up to now is 196.5 secs Computing kpt #: 358 total cpu time spent up to now is 197.1 secs Computing kpt #: 359 total cpu time spent up to now is 197.6 secs Computing kpt #: 360 total cpu time spent up to now is 198.2 secs Computing kpt #: 361 total cpu time spent up to now is 198.7 secs Computing kpt #: 362 total cpu time spent up to now is 199.1 secs Computing kpt #: 363 total cpu time spent up to now is 199.6 secs Computing kpt #: 364 total cpu time spent up to now is 200.1 secs Computing kpt #: 365 total cpu time spent up to now is 200.8 secs Computing kpt #: 366 total cpu time spent up to now is 201.5 secs Computing kpt #: 367 total cpu time spent up to now is 202.2 secs Computing kpt #: 368 total cpu time spent up to now is 202.8 secs Computing kpt #: 369 total cpu time spent up to now is 203.3 secs Computing kpt #: 370 total cpu time spent up to now is 203.9 secs Computing kpt #: 371 total cpu time spent up to now is 204.4 secs Computing kpt #: 372 total cpu time spent up to now is 204.9 secs Computing kpt #: 373 total cpu time spent up to now is 205.4 secs Computing kpt #: 374 total cpu time spent up to now is 205.9 secs Computing kpt #: 375 total cpu time spent up to now is 206.5 secs Computing kpt #: 376 total cpu time spent up to now is 207.0 secs Computing kpt #: 377 total cpu time spent up to now is 207.5 secs Computing kpt #: 378 total cpu time spent up to now is 208.0 secs Computing kpt #: 379 total cpu time spent up to now is 208.5 secs Computing kpt #: 380 total cpu time spent up to now is 209.0 secs Computing kpt #: 381 total cpu time spent up to now is 209.5 secs Computing kpt #: 382 total cpu time spent up to now is 210.0 secs Computing kpt #: 383 total cpu time spent up to now is 210.5 secs Computing kpt #: 384 total cpu time spent up to now is 211.0 secs Computing kpt #: 385 total cpu time spent up to now is 211.5 secs Computing kpt #: 386 total cpu time spent up to now is 212.0 secs Computing kpt #: 387 total cpu time spent up to now is 212.5 secs Computing kpt #: 388 total cpu time spent up to now is 213.1 secs Computing kpt #: 389 total cpu time spent up to now is 213.6 secs Computing kpt #: 390 total cpu time spent up to now is 214.1 secs Computing kpt #: 391 total cpu time spent up to now is 214.6 secs Computing kpt #: 392 total cpu time spent up to now is 215.1 secs Computing kpt #: 393 total cpu time spent up to now is 215.6 secs Computing kpt #: 394 total cpu time spent up to now is 216.1 secs Computing kpt #: 395 total cpu time spent up to now is 216.6 secs Computing kpt #: 396 total cpu time spent up to now is 217.1 secs Computing kpt #: 397 total cpu time spent up to now is 217.6 secs Computing kpt #: 398 total cpu time spent up to now is 219.2 secs Computing kpt #: 399 total cpu time spent up to now is 219.7 secs Computing kpt #: 400 total cpu time spent up to now is 220.3 secs Computing kpt #: 401 total cpu time spent up to now is 220.8 secs Computing kpt #: 402 total cpu time spent up to now is 221.3 secs Computing kpt #: 403 total cpu time spent up to now is 221.8 secs Computing kpt #: 404 total cpu time spent up to now is 222.3 secs Computing kpt #: 405 total cpu time spent up to now is 222.8 secs Computing kpt #: 406 total cpu time spent up to now is 223.3 secs Computing kpt #: 407 total cpu time spent up to now is 223.8 secs Computing kpt #: 408 total cpu time spent up to now is 224.3 secs Computing kpt #: 409 total cpu time spent up to now is 224.8 secs Computing kpt #: 410 total cpu time spent up to now is 225.3 secs Computing kpt #: 411 total cpu time spent up to now is 225.8 secs Computing kpt #: 412 total cpu time spent up to now is 226.3 secs Computing kpt #: 413 total cpu time spent up to now is 226.8 secs Computing kpt #: 414 total cpu time spent up to now is 227.3 secs Computing kpt #: 415 total cpu time spent up to now is 227.8 secs Computing kpt #: 416 total cpu time spent up to now is 228.3 secs Computing kpt #: 417 total cpu time spent up to now is 228.8 secs Computing kpt #: 418 total cpu time spent up to now is 229.3 secs Computing kpt #: 419 total cpu time spent up to now is 229.8 secs Computing kpt #: 420 total cpu time spent up to now is 230.2 secs Computing kpt #: 421 total cpu time spent up to now is 230.7 secs Computing kpt #: 422 total cpu time spent up to now is 231.2 secs Computing kpt #: 423 total cpu time spent up to now is 231.7 secs Computing kpt #: 424 total cpu time spent up to now is 232.1 secs ethr = 2.08E-08, avg # of iterations = 19.0 total cpu time spent up to now is 232.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3391 -21.3391 -21.2062 -21.2062 -21.0308 -21.0308 -20.9077 -20.9077 -8.0638 -8.0638 -7.6095 -7.6095 -6.9754 -6.9754 -6.2483 -6.2483 2.1550 2.1550 2.8074 2.8074 3.0599 3.0599 3.3819 3.3819 4.3655 4.3655 4.4233 4.4233 4.7865 4.7865 5.0160 5.0160 5.2392 5.2392 5.3215 5.3215 6.1553 6.1553 6.7661 6.7661 8.9921 8.9921 9.8041 9.8041 10.2405 10.2405 11.2167 11.2167 11.2918 11.2918 k = 0.0111-0.0000-0.0000 ( 5153 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7326 -28.7326 -21.3390 -21.3390 -21.2064 -21.2064 -21.0308 -21.0308 -20.9079 -20.9079 -8.0629 -8.0629 -7.6091 -7.6091 -6.9753 -6.9753 -6.2482 -6.2482 2.1567 2.1567 2.8068 2.8068 3.0600 3.0600 3.3820 3.3820 4.3633 4.3633 4.4265 4.4265 4.7868 4.7868 5.0159 5.0159 5.2334 5.2334 5.3236 5.3236 6.1497 6.1497 6.7622 6.7622 8.9955 8.9955 9.8075 9.8075 10.2460 10.2460 11.2170 11.2170 11.2943 11.2943 k = 0.0222-0.0000-0.0000 ( 5153 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7328 -28.7328 -21.3388 -21.3388 -21.2069 -21.2069 -21.0309 -21.0309 -20.9085 -20.9085 -8.0603 -8.0603 -7.6080 -7.6080 -6.9747 -6.9747 -6.2481 -6.2481 2.1617 2.1617 2.8050 2.8050 3.0604 3.0604 3.3820 3.3820 4.3579 4.3579 4.4349 4.4349 4.7877 4.7877 5.0156 5.0156 5.2174 5.2174 5.3287 5.3287 6.1330 6.1330 6.7506 6.7506 9.0055 9.0055 9.8174 9.8174 10.2623 10.2623 11.2177 11.2177 11.3020 11.3020 k = 0.0333-0.0000-0.0000 ( 5153 PWs) bands (ev): -54.4825 -54.4825 -54.4457 -54.4457 -28.8697 -28.8697 -28.7332 -28.7332 -21.3385 -21.3385 -21.2077 -21.2077 -21.0311 -21.0311 -20.9096 -20.9096 -8.0559 -8.0559 -7.6061 -7.6061 -6.9738 -6.9738 -6.2479 -6.2479 2.1701 2.1701 2.8021 2.8021 3.0611 3.0611 3.3821 3.3821 4.3516 4.3516 4.4459 4.4459 4.7891 4.7891 5.0147 5.0147 5.1938 5.1938 5.3352 5.3352 6.1057 6.1057 6.7316 6.7316 9.0218 9.0218 9.8336 9.8336 10.2888 10.2888 11.2190 11.2190 11.3148 11.3148 k = 0.0444-0.0000-0.0000 ( 5157 PWs) bands (ev): -54.4824 -54.4824 -54.4458 -54.4458 -28.8696 -28.8696 -28.7337 -28.7337 -21.3379 -21.3379 -21.2089 -21.2089 -21.0315 -21.0315 -20.9111 -20.9111 -8.0498 -8.0498 -7.6035 -7.6035 -6.9726 -6.9726 -6.2476 -6.2476 2.1817 2.1817 2.7980 2.7980 3.0621 3.0621 3.3823 3.3823 4.3456 4.3456 4.4577 4.4577 4.7909 4.7909 5.0125 5.0125 5.1648 5.1648 5.3420 5.3420 6.0688 6.0688 6.7057 6.7057 9.0441 9.0441 9.8555 9.8555 10.3244 10.3244 11.2210 11.2210 11.3326 11.3326 k = 0.0556-0.0000-0.0000 ( 5157 PWs) bands (ev): -54.4822 -54.4822 -54.4458 -54.4458 -28.8695 -28.8695 -28.7344 -28.7344 -21.3372 -21.3372 -21.2104 -21.2104 -21.0319 -21.0319 -20.9130 -20.9130 -8.0420 -8.0420 -7.6002 -7.6002 -6.9710 -6.9710 -6.2472 -6.2472 2.1966 2.1966 2.7931 2.7931 3.0635 3.0635 3.3826 3.3826 4.3406 4.3406 4.4688 4.4688 4.7928 4.7928 5.0073 5.0073 5.1333 5.1333 5.3488 5.3488 6.0234 6.0234 6.6735 6.6735 9.0717 9.0717 9.8822 9.8822 10.3678 10.3678 11.2238 11.2238 11.3557 11.3557 k = 0.0667-0.0000-0.0000 ( 5153 PWs) bands (ev): -54.4820 -54.4820 -54.4459 -54.4459 -28.8694 -28.8694 -28.7352 -28.7352 -21.3364 -21.3364 -21.2121 -21.2121 -21.0324 -21.0324 -20.9152 -20.9152 -8.0326 -8.0326 -7.5961 -7.5961 -6.9690 -6.9690 -6.2468 -6.2468 2.2148 2.2148 2.7872 2.7872 3.0653 3.0653 3.3831 3.3831 4.3367 4.3367 4.4779 4.4779 4.7945 4.7945 4.9959 4.9959 5.1042 5.1042 5.3556 5.3556 5.9710 5.9710 6.6358 6.6358 9.1039 9.1039 9.9129 9.9129 10.4174 10.4174 11.2272 11.2272 11.3842 11.3842 k = 0.0778-0.0000-0.0000 ( 5145 PWs) bands (ev): -54.4818 -54.4818 -54.4459 -54.4459 -28.8693 -28.8693 -28.7361 -28.7361 -21.3355 -21.3355 -21.2141 -21.2141 -21.0330 -21.0330 -20.9177 -20.9177 -8.0215 -8.0215 -7.5914 -7.5914 -6.9666 -6.9666 -6.2463 -6.2463 2.2361 2.2361 2.7808 2.7808 3.0675 3.0675 3.3838 3.3838 4.3341 4.3341 4.4833 4.4833 4.7949 4.7949 4.9746 4.9746 5.0832 5.0832 5.3623 5.3623 5.9132 5.9132 6.5935 6.5935 9.1402 9.1402 9.9465 9.9465 10.4715 10.4715 11.2313 11.2313 11.4185 11.4185 k = 0.0889-0.0000-0.0000 ( 5133 PWs) bands (ev): -54.4816 -54.4816 -54.4460 -54.4460 -28.8690 -28.8690 -28.7372 -28.7372 -21.3344 -21.3344 -21.2164 -21.2164 -21.0337 -21.0337 -20.9207 -20.9207 -8.0089 -8.0089 -7.5861 -7.5861 -6.9638 -6.9638 -6.2458 -6.2458 2.2606 2.2606 2.7738 2.7738 3.0704 3.0704 3.3849 3.3849 4.3325 4.3325 4.4831 4.4831 4.7920 4.7920 4.9453 4.9453 5.0721 5.0721 5.3687 5.3687 5.8517 5.8517 6.5472 6.5472 9.1799 9.1799 9.9820 9.9820 10.5283 10.5283 11.2359 11.2359 11.4589 11.4589 k = 0.1000-0.0000-0.0000 ( 5131 PWs) bands (ev): -54.4813 -54.4813 -54.4461 -54.4461 -28.8689 -28.8689 -28.7384 -28.7384 -21.3333 -21.3333 -21.2189 -21.2189 -21.0346 -21.0346 -20.9239 -20.9239 -7.9948 -7.9948 -7.5802 -7.5802 -6.9606 -6.9606 -6.2451 -6.2451 2.2880 2.2880 2.7665 2.7665 3.0738 3.0738 3.3864 3.3864 4.3318 4.3318 4.4750 4.4750 4.7825 4.7825 4.9169 4.9169 5.0674 5.0674 5.3748 5.3748 5.7887 5.7887 6.4977 6.4977 9.2223 9.2223 10.0182 10.0182 10.5858 10.5858 11.2409 11.2409 11.5058 11.5058 k = 0.1111-0.0000-0.0000 ( 5123 PWs) bands (ev): -54.4810 -54.4810 -54.4462 -54.4462 -28.8687 -28.8687 -28.7397 -28.7397 -21.3320 -21.3320 -21.2217 -21.2217 -21.0356 -21.0356 -20.9274 -20.9274 -7.9793 -7.9793 -7.5738 -7.5738 -6.9569 -6.9569 -6.2445 -6.2445 2.3184 2.3184 2.7590 2.7590 3.0778 3.0778 3.3883 3.3883 4.3313 4.3313 4.4565 4.4565 4.7630 4.7630 4.8981 4.8981 5.0657 5.0657 5.3803 5.3803 5.7263 5.7263 6.4460 6.4460 9.2668 9.2668 10.0541 10.0541 10.6424 10.6424 11.2461 11.2461 11.5591 11.5591 k = 0.1222-0.0000-0.0000 ( 5111 PWs) bands (ev): -54.4806 -54.4806 -54.4463 -54.4463 -28.8684 -28.8684 -28.7412 -28.7412 -21.3307 -21.3307 -21.2246 -21.2246 -21.0368 -21.0368 -20.9311 -20.9311 -7.9625 -7.9625 -7.5669 -7.5669 -6.9528 -6.9528 -6.2438 -6.2438 2.3517 2.3517 2.7518 2.7518 3.0826 3.0826 3.3908 3.3908 4.3303 4.3303 4.4255 4.4255 4.7351 4.7351 4.8909 4.8909 5.0653 5.0653 5.3849 5.3849 5.6670 5.6670 6.3926 6.3926 9.3129 9.3129 10.0888 10.0888 10.6968 10.6968 11.2514 11.2514 11.6184 11.6184 k = 0.1333-0.0000-0.0000 ( 5115 PWs) bands (ev): -54.4802 -54.4802 -54.4465 -54.4465 -28.8682 -28.8682 -28.7428 -28.7428 -21.3293 -21.3293 -21.2278 -21.2278 -21.0381 -21.0381 -20.9351 -20.9351 -7.9445 -7.9445 -7.5595 -7.5595 -6.9483 -6.9483 -6.2431 -6.2431 2.3876 2.3876 2.7448 2.7448 3.0880 3.0880 3.3939 3.3939 4.3276 4.3276 4.3817 4.3817 4.7040 4.7040 4.8917 4.8917 5.0647 5.0647 5.3882 5.3882 5.6130 5.6130 6.3384 6.3384 9.3601 9.3601 10.1213 10.1213 10.7477 10.7477 11.2566 11.2566 11.6786 11.6786 k = 0.1444-0.0000-0.0000 ( 5111 PWs) bands (ev): -54.4798 -54.4798 -54.4466 -54.4466 -28.8679 -28.8679 -28.7445 -28.7445 -21.3278 -21.3278 -21.2310 -21.2310 -21.0396 -21.0396 -20.9393 -20.9393 -7.9253 -7.9253 -7.5518 -7.5518 -6.9432 -6.9432 -6.2424 -6.2424 2.4260 2.4260 2.7384 2.7384 3.0942 3.0942 3.3977 3.3977 4.3162 4.3162 4.3319 4.3319 4.6730 4.6730 4.8971 4.8971 5.0631 5.0631 5.3901 5.3901 5.5668 5.5668 6.2841 6.2841 9.4080 9.4080 10.1510 10.1510 10.7945 10.7945 11.2615 11.2615 11.6829 11.6829 k = 0.1556-0.0000-0.0000 ( 5111 PWs) bands (ev): -54.4794 -54.4794 -54.4468 -54.4468 -28.8676 -28.8676 -28.7464 -28.7464 -21.3264 -21.3264 -21.2344 -21.2344 -21.0413 -21.0413 -20.9436 -20.9436 -7.9050 -7.9050 -7.5437 -7.5437 -6.9376 -6.9376 -6.2417 -6.2417 2.4667 2.4667 2.7327 2.7327 3.1012 3.1012 3.4022 3.4022 4.2579 4.2579 4.3145 4.3145 4.6435 4.6435 4.9052 4.9052 5.0595 5.0595 5.3905 5.3905 5.5300 5.5300 6.2303 6.2303 9.4563 9.4563 10.1776 10.1776 10.8368 10.8368 11.2660 11.2660 11.6602 11.6602 k = 0.1667-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4789 -54.4789 -54.4469 -54.4469 -28.8672 -28.8672 -28.7483 -28.7483 -21.3248 -21.3248 -21.2379 -21.2379 -21.0431 -21.0431 -20.9479 -20.9479 -7.8839 -7.8839 -7.5354 -7.5354 -6.9314 -6.9314 -6.2411 -6.2411 2.5095 2.5095 2.7279 2.7279 3.1088 3.1088 3.4075 3.4075 4.1866 4.1866 4.2957 4.2957 4.6167 4.6167 4.9152 4.9152 5.0530 5.0530 5.3899 5.3899 5.5028 5.5028 6.1776 6.1776 9.5047 9.5047 10.2008 10.2008 10.8744 10.8744 11.2697 11.2697 11.6358 11.6358 k = 0.1778-0.0000-0.0000 ( 5105 PWs) bands (ev): -54.4785 -54.4785 -54.4471 -54.4471 -28.8668 -28.8668 -28.7504 -28.7504 -21.3234 -21.3234 -21.2414 -21.2414 -21.0451 -21.0451 -20.9525 -20.9525 -7.8620 -7.8620 -7.5269 -7.5269 -6.9246 -6.9246 -6.2405 -6.2405 2.5541 2.5541 2.7243 2.7243 3.1171 3.1171 3.4136 3.4136 4.1111 4.1111 4.2664 4.2664 4.5945 4.5945 4.9266 4.9266 5.0432 5.0432 5.3895 5.3895 5.4843 5.4843 6.1268 6.1268 9.5529 9.5529 10.2206 10.2206 10.9077 10.9077 11.2726 11.2726 11.6111 11.6111 k = 0.1889-0.0000-0.0000 ( 5115 PWs) bands (ev): -54.4780 -54.4780 -54.4473 -54.4473 -28.8664 -28.8664 -28.7527 -28.7527 -21.3221 -21.3221 -21.2449 -21.2449 -21.0474 -21.0474 -20.9571 -20.9571 -7.8394 -7.8394 -7.5182 -7.5182 -6.9172 -6.9172 -6.2400 -6.2400 2.6001 2.6001 2.7220 2.7220 3.1258 3.1258 3.4206 3.4206 4.0338 4.0338 4.2243 4.2243 4.5786 4.5786 4.9392 4.9392 5.0297 5.0297 5.3904 5.3904 5.4722 5.4722 6.0783 6.0783 9.6007 9.6007 10.2373 10.2373 10.9370 10.9370 11.2745 11.2745 11.5865 11.5865 k = 0.2000-0.0000-0.0000 ( 5123 PWs) bands (ev): -54.4774 -54.4774 -54.4475 -54.4475 -28.8659 -28.8659 -28.7550 -28.7550 -21.3208 -21.3208 -21.2485 -21.2485 -21.0497 -21.0497 -20.9616 -20.9616 -7.8163 -7.8163 -7.5094 -7.5094 -6.9091 -6.9091 -6.2395 -6.2395 2.6472 2.6472 2.7211 2.7211 3.1347 3.1347 3.4284 3.4284 3.9565 3.9565 4.1698 4.1698 4.5692 4.5692 4.9530 4.9530 5.0128 5.0128 5.3928 5.3928 5.4649 5.4649 6.0327 6.0327 9.6480 9.6480 10.2513 10.2513 10.9627 10.9627 11.2750 11.2750 11.5622 11.5622 k = 0.2111-0.0000-0.0000 ( 5119 PWs) bands (ev): -54.4769 -54.4769 -54.4477 -54.4477 -28.8654 -28.8654 -28.7573 -28.7573 -21.3196 -21.3196 -21.2519 -21.2519 -21.0522 -21.0522 -20.9661 -20.9661 -7.7928 -7.7928 -7.5006 -7.5006 -6.9002 -6.9002 -6.2392 -6.2392 2.6944 2.6944 2.7223 2.7223 3.1432 3.1432 3.4372 3.4372 3.8810 3.8810 4.1048 4.1048 4.5652 4.5652 4.9678 4.9678 4.9925 4.9925 5.3953 5.3953 5.4618 5.4618 5.9904 5.9904 9.6946 9.6946 10.2630 10.2630 10.9855 10.9855 11.2738 11.2738 11.5386 11.5386 k = 0.2222-0.0000-0.0000 ( 5121 PWs) bands (ev): -54.4763 -54.4763 -54.4480 -54.4480 -28.8648 -28.8648 -28.7598 -28.7598 -21.3185 -21.3185 -21.2553 -21.2553 -21.0549 -21.0549 -20.9706 -20.9706 -7.7690 -7.7690 -7.4919 -7.4919 -6.8906 -6.8906 -6.2391 -6.2391 2.7224 2.7224 2.7443 2.7443 3.1506 3.1506 3.4468 3.4468 3.8095 3.8095 4.0317 4.0317 4.5648 4.5648 4.9691 4.9691 4.9836 4.9836 5.3955 5.3955 5.4637 5.4637 5.9517 5.9517 9.7405 9.7405 10.2731 10.2731 11.0058 11.0058 11.2708 11.2708 11.5159 11.5159 k = 0.2333-0.0000-0.0000 ( 5125 PWs) bands (ev): -54.4757 -54.4757 -54.4482 -54.4482 -28.8642 -28.8642 -28.7623 -28.7623 -21.3176 -21.3176 -21.2586 -21.2586 -21.0576 -21.0576 -20.9749 -20.9749 -7.7452 -7.7452 -7.4832 -7.4832 -6.8802 -6.8802 -6.2392 -6.2392 2.7272 2.7272 2.7909 2.7909 3.1556 3.1556 3.4571 3.4571 3.7442 3.7442 3.9530 3.9530 4.5666 4.5666 4.9427 4.9427 5.0002 5.0002 5.3917 5.3917 5.4709 5.4709 5.9170 5.9170 9.7855 9.7855 10.2822 10.2822 11.0243 11.0243 11.2656 11.2656 11.4945 11.4945 k = 0.2444-0.0000-0.0000 ( 5121 PWs) bands (ev): -54.4751 -54.4751 -54.4485 -54.4485 -28.8635 -28.8635 -28.7649 -28.7649 -21.3169 -21.3169 -21.2617 -21.2617 -21.0604 -21.0604 -20.9792 -20.9792 -7.7214 -7.7214 -7.4747 -7.4747 -6.8689 -6.8689 -6.2395 -6.2395 2.7330 2.7330 2.8367 2.8367 3.1562 3.1562 3.4680 3.4680 3.6880 3.6880 3.8709 3.8709 4.5693 4.5693 4.9137 4.9137 5.0178 5.0178 5.3839 5.3839 5.4825 5.4825 5.8861 5.8861 9.8296 9.8296 10.2908 10.2908 11.0416 11.0416 11.2579 11.2579 11.4748 11.4748 k = 0.2556-0.0000-0.0000 ( 5117 PWs) bands (ev): -54.4745 -54.4745 -54.4488 -54.4488 -28.8628 -28.8628 -28.7675 -28.7675 -21.3164 -21.3164 -21.2647 -21.2647 -21.0632 -21.0632 -20.9834 -20.9834 -7.6979 -7.6979 -7.4663 -7.4663 -6.8567 -6.8567 -6.2401 -6.2401 2.7407 2.7407 2.8803 2.8803 3.1504 3.1504 3.4792 3.4792 3.6441 3.6441 3.7875 3.7875 4.5718 4.5718 4.8822 4.8822 5.0362 5.0362 5.3732 5.3732 5.4968 5.4968 5.8592 5.8592 9.8728 9.8728 10.2995 10.2995 11.0581 11.0581 11.2474 11.2474 11.4569 11.4569 k = 0.2667-0.0000-0.0000 ( 5113 PWs) bands (ev): -54.4738 -54.4738 -54.4491 -54.4491 -28.8620 -28.8620 -28.7702 -28.7702 -21.3162 -21.3162 -21.2675 -21.2675 -21.0659 -21.0659 -20.9875 -20.9875 -7.6746 -7.6746 -7.4583 -7.4583 -6.8436 -6.8436 -6.2411 -6.2411 2.7501 2.7501 2.9201 2.9201 3.1366 3.1366 3.4902 3.4902 3.6131 3.6131 3.7068 3.7068 4.5733 4.5733 4.8487 4.8487 5.0553 5.0553 5.3605 5.3605 5.5122 5.5122 5.8360 5.8360 9.9150 9.9150 10.3087 10.3087 11.0745 11.0745 11.2341 11.2341 11.4412 11.4412 k = 0.2778-0.0000-0.0000 ( 5107 PWs) bands (ev): -54.4732 -54.4732 -54.4494 -54.4494 -28.8611 -28.8611 -28.7729 -28.7729 -21.3162 -21.3162 -21.2701 -21.2701 -21.0686 -21.0686 -20.9915 -20.9915 -7.6519 -7.6519 -7.4505 -7.4505 -6.8295 -6.8295 -6.2424 -6.2424 2.7613 2.7613 2.9530 2.9530 3.1165 3.1165 3.5012 3.5012 3.5797 3.5797 3.6462 3.6462 4.5729 4.5729 4.8136 4.8136 5.0750 5.0750 5.3466 5.3466 5.5280 5.5280 5.8164 5.8164 9.9562 9.9562 10.3189 10.3189 11.0910 11.0910 11.2180 11.2180 11.4276 11.4276 k = 0.2889-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4725 -54.4725 -54.4498 -54.4498 -28.8601 -28.8601 -28.7757 -28.7757 -21.3164 -21.3164 -21.2726 -21.2726 -21.0711 -21.0711 -20.9954 -20.9954 -7.6298 -7.6298 -7.4430 -7.4430 -6.8145 -6.8145 -6.2441 -6.2441 2.7740 2.7740 2.9714 2.9714 3.0990 3.0990 3.5058 3.5058 3.5197 3.5197 3.6360 3.6360 4.5699 4.5699 4.7777 4.7777 5.0953 5.0953 5.3321 5.3321 5.5433 5.5433 5.8000 5.8000 9.9965 9.9965 10.3304 10.3304 11.1079 11.1079 11.1994 11.1994 11.4161 11.4161 k = 0.3000-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4718 -54.4718 -54.4501 -54.4501 -28.8591 -28.8591 -28.7785 -28.7785 -21.3168 -21.3168 -21.2749 -21.2749 -21.0735 -21.0735 -20.9993 -20.9993 -7.6084 -7.6084 -7.4360 -7.4360 -6.7985 -6.7985 -6.2464 -6.2464 2.7881 2.7881 2.9630 2.9630 3.0991 3.0991 3.4308 3.4308 3.5290 3.5290 3.6513 3.6513 4.5631 4.5631 4.7421 4.7421 5.1160 5.1160 5.3177 5.3177 5.5575 5.5575 5.7867 5.7867 10.0358 10.0358 10.3433 10.3433 11.1253 11.1253 11.1786 11.1786 11.4065 11.4065 k = 0.3111-0.0000-0.0000 ( 5085 PWs) bands (ev): -54.4712 -54.4712 -54.4505 -54.4505 -28.8580 -28.8580 -28.7814 -28.7814 -21.3174 -21.3174 -21.2772 -21.2772 -21.0756 -21.0756 -21.0030 -21.0030 -7.5879 -7.5879 -7.4293 -7.4293 -6.7815 -6.7815 -6.2491 -6.2491 2.8024 2.8024 2.9318 2.9318 3.1168 3.1168 3.3501 3.3501 3.5451 3.5451 3.6777 3.6777 4.5514 4.5514 4.7078 4.7078 5.1369 5.1369 5.3041 5.3041 5.5702 5.5702 5.7761 5.7761 10.0741 10.0741 10.3579 10.3579 11.1415 11.1415 11.1576 11.1576 11.3986 11.3986 k = 0.3222-0.0000-0.0000 ( 5093 PWs) bands (ev): -54.4705 -54.4705 -54.4509 -54.4509 -28.8569 -28.8569 -28.7843 -28.7843 -21.3182 -21.3182 -21.2794 -21.2794 -21.0775 -21.0775 -21.0067 -21.0067 -7.5683 -7.5683 -7.4231 -7.4231 -6.7636 -6.7636 -6.2525 -6.2525 2.8132 2.8132 2.8947 2.8947 3.1412 3.1412 3.2709 3.2709 3.5631 3.5631 3.7108 3.7108 4.5338 4.5338 4.6764 4.6764 5.1578 5.1578 5.2922 5.2922 5.5809 5.5809 5.7680 5.7680 10.1115 10.1115 10.3742 10.3742 11.1293 11.1293 11.1641 11.1641 11.3921 11.3921 k = 0.3333-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4698 -54.4698 -54.4513 -54.4513 -28.8557 -28.8557 -28.7872 -28.7872 -21.3190 -21.3190 -21.2816 -21.2816 -21.0790 -21.0790 -21.0104 -21.0104 -7.5497 -7.5497 -7.4173 -7.4173 -6.7448 -6.7448 -6.2566 -6.2566 2.8049 2.8049 2.8746 2.8746 3.1663 3.1663 3.1951 3.1951 3.5822 3.5822 3.7479 3.7479 4.5095 4.5095 4.6486 4.6486 5.1782 5.1782 5.2830 5.2830 5.5892 5.5892 5.7621 5.7621 10.1479 10.1479 10.3923 10.3923 11.1043 11.1043 11.1823 11.1823 11.3868 11.3868 k = 0.3444-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4691 -54.4691 -54.4517 -54.4517 -28.8544 -28.8544 -28.7901 -28.7901 -21.3198 -21.3198 -21.2838 -21.2838 -21.0802 -21.0802 -21.0141 -21.0141 -7.5322 -7.5322 -7.4121 -7.4121 -6.7251 -6.7251 -6.2613 -6.2613 2.7694 2.7694 2.8820 2.8820 3.1209 3.1209 3.1930 3.1930 3.6021 3.6021 3.7871 3.7871 4.4790 4.4790 4.6241 4.6241 5.1973 5.1973 5.2780 5.2780 5.5950 5.5950 5.7579 5.7579 10.1834 10.1834 10.4120 10.4120 11.0779 11.0779 11.2003 11.2003 11.3826 11.3826 k = 0.3556-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4683 -54.4683 -54.4521 -54.4521 -28.8531 -28.8531 -28.7930 -28.7930 -21.3207 -21.3207 -21.2860 -21.2860 -21.0810 -21.0810 -21.0177 -21.0177 -7.5158 -7.5158 -7.4073 -7.4073 -6.7048 -6.7048 -6.2668 -6.2668 2.7263 2.7263 2.8974 2.8974 3.0542 3.0542 3.2169 3.2169 3.6227 3.6227 3.8270 3.8270 4.4440 4.4440 4.6017 4.6017 5.2137 5.2137 5.2791 5.2791 5.5982 5.5982 5.7550 5.7550 10.2181 10.2181 10.4333 10.4333 11.0509 11.0509 11.2172 11.2172 11.3791 11.3791 k = 0.3667-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4676 -54.4676 -54.4526 -54.4526 -28.8516 -28.8516 -28.7959 -28.7959 -21.3214 -21.3214 -21.2883 -21.2883 -21.0815 -21.0815 -21.0213 -21.0213 -7.5005 -7.5005 -7.4030 -7.4030 -6.6837 -6.6837 -6.2732 -6.2732 2.6832 2.6832 2.9058 2.9058 3.0015 3.0015 3.2395 3.2395 3.6436 3.6436 3.8664 3.8664 4.4059 4.4059 4.5801 4.5801 5.2266 5.2266 5.2878 5.2878 5.5988 5.5988 5.7528 5.7528 10.2518 10.2518 10.4561 10.4561 11.0236 11.0236 11.2317 11.2317 11.3757 11.3757 k = 0.3778-0.0000-0.0000 ( 5091 PWs) bands (ev): -54.4669 -54.4669 -54.4531 -54.4531 -28.8501 -28.8501 -28.7988 -28.7988 -21.3221 -21.3221 -21.2906 -21.2906 -21.0815 -21.0815 -21.0248 -21.0248 -7.4863 -7.4863 -7.3993 -7.3993 -6.6622 -6.6622 -6.2804 -6.2804 2.6425 2.6425 2.8821 2.8821 2.9867 2.9867 3.2603 3.2603 3.6649 3.6649 3.9042 3.9042 4.3664 4.3664 4.5581 4.5581 5.2371 5.2371 5.3032 5.3032 5.5972 5.5972 5.7505 5.7505 10.2848 10.2848 10.4801 10.4801 10.9962 10.9962 11.2427 11.2427 11.3720 11.3720 k = 0.3889-0.0000-0.0000 ( 5089 PWs) bands (ev): -54.4662 -54.4662 -54.4535 -54.4535 -28.8485 -28.8485 -28.8017 -28.8017 -21.3226 -21.3226 -21.2930 -21.2930 -21.0812 -21.0812 -21.0283 -21.0283 -7.4732 -7.4732 -7.3962 -7.3962 -6.6402 -6.6402 -6.2885 -6.2885 2.6050 2.6050 2.8329 2.8329 3.0028 3.0028 3.2789 3.2789 3.6864 3.6864 3.9399 3.9399 4.3262 4.3262 4.5352 4.5352 5.2482 5.2482 5.3228 5.3228 5.5934 5.5934 5.7474 5.7474 10.3169 10.3169 10.5050 10.5050 10.9691 10.9691 11.2490 11.2490 11.3674 11.3674 k = 0.4000-0.0000-0.0000 ( 5085 PWs) bands (ev): -54.4655 -54.4655 -54.4540 -54.4540 -28.8469 -28.8469 -28.8045 -28.8045 -21.3230 -21.3230 -21.2955 -21.2955 -21.0805 -21.0805 -21.0318 -21.0318 -7.4613 -7.4613 -7.3936 -7.3936 -6.6179 -6.6179 -6.2977 -6.2977 2.5714 2.5714 2.7800 2.7800 3.0277 3.0277 3.2951 3.2951 3.7081 3.7081 3.9730 3.9730 4.2863 4.2863 4.5110 4.5110 5.2617 5.2617 5.3446 5.3446 5.5879 5.5879 5.7429 5.7429 10.3483 10.3483 10.5306 10.5306 10.9428 10.9428 11.2488 11.2488 11.3622 11.3622 k = 0.4111-0.0000-0.0000 ( 5097 PWs) bands (ev): -54.4648 -54.4648 -54.4546 -54.4546 -28.8452 -28.8452 -28.8074 -28.8074 -21.3231 -21.3231 -21.2980 -21.2980 -21.0795 -21.0795 -21.0353 -21.0353 -7.4504 -7.4504 -7.3915 -7.3915 -6.5955 -6.5955 -6.3078 -6.3078 2.5419 2.5419 2.7291 2.7291 3.0557 3.0557 3.3085 3.3085 3.7300 3.7300 4.0033 4.0033 4.2474 4.2474 4.4857 4.4857 5.2783 5.2783 5.3678 5.3678 5.5807 5.5807 5.7364 5.7364 10.3789 10.3789 10.5563 10.5563 10.9177 10.9177 11.2399 11.2399 11.3576 11.3576 k = 0.4222-0.0000-0.0000 ( 5085 PWs) bands (ev): -54.4641 -54.4641 -54.4551 -54.4551 -28.8433 -28.8433 -28.8102 -28.8102 -21.3230 -21.3230 -21.3005 -21.3005 -21.0781 -21.0781 -21.0388 -21.0388 -7.4405 -7.4405 -7.3901 -7.3901 -6.5731 -6.5731 -6.3189 -6.3189 2.5169 2.5169 2.6817 2.6817 3.0849 3.0849 3.3186 3.3186 3.7523 3.7523 4.0303 4.0303 4.2106 4.2106 4.4590 4.4590 5.2981 5.2981 5.3918 5.3918 5.5721 5.5721 5.7275 5.7275 10.4089 10.4089 10.5813 10.5813 10.8948 10.8948 11.2208 11.2208 11.3554 11.3554 k = 0.4333-0.0000-0.0000 ( 5090 PWs) bands (ev): -54.4634 -54.4634 -54.4557 -54.4557 -28.8414 -28.8414 -28.8129 -28.8129 -21.3227 -21.3227 -21.3030 -21.3030 -21.0765 -21.0765 -21.0422 -21.0422 -7.4317 -7.4317 -7.3892 -7.3892 -6.5507 -6.5507 -6.3311 -6.3311 2.4965 2.4965 2.6385 2.6385 3.1146 3.1146 3.3249 3.3249 3.7750 3.7750 4.0519 4.0519 4.1786 4.1786 4.4313 4.4313 5.3204 5.3204 5.4164 5.4164 5.5623 5.5623 5.7160 5.7160 10.4382 10.4382 10.6043 10.6043 10.8756 10.8756 11.1919 11.1919 11.3563 11.3563 k = 0.4444-0.0000-0.0000 ( 5088 PWs) bands (ev): -54.4627 -54.4627 -54.4562 -54.4562 -28.8394 -28.8394 -28.8157 -28.8157 -21.3222 -21.3222 -21.3055 -21.3055 -21.0745 -21.0745 -21.0456 -21.0456 -7.4238 -7.4238 -7.3890 -7.3890 -6.5286 -6.5286 -6.3444 -6.3444 2.4809 2.4809 2.5997 2.5997 3.1443 3.1443 3.3271 3.3271 3.7984 3.7984 4.0619 4.0619 4.1584 4.1584 4.4028 4.4028 5.3444 5.3444 5.4413 5.4413 5.5516 5.5516 5.7015 5.7015 10.4669 10.4669 10.6232 10.6232 10.8621 10.8621 11.1553 11.1553 11.3600 11.3600 k = 0.4556-0.0000-0.0000 ( 5090 PWs) bands (ev): -54.4620 -54.4620 -54.4568 -54.4568 -28.8373 -28.8373 -28.8183 -28.8183 -21.3215 -21.3215 -21.3079 -21.3079 -21.0723 -21.0723 -21.0490 -21.0490 -7.4168 -7.4168 -7.3893 -7.3893 -6.5069 -6.5069 -6.3587 -6.3587 2.4702 2.4702 2.5655 2.5655 3.1734 3.1734 3.3251 3.3251 3.8228 3.8228 4.0513 4.0513 4.1595 4.1595 4.3735 4.3735 5.3692 5.3692 5.4654 5.4654 5.5412 5.5412 5.6843 5.6843 10.4948 10.4948 10.6350 10.6350 10.8575 10.8575 11.1139 11.1139 11.3660 11.3660 k = 0.4667-0.0000-0.0000 ( 5092 PWs) bands (ev): -54.4613 -54.4613 -54.4574 -54.4574 -28.8352 -28.8352 -28.8209 -28.8209 -21.3205 -21.3205 -21.3102 -21.3102 -21.0699 -21.0699 -21.0523 -21.0523 -7.4107 -7.4107 -7.3903 -7.3903 -6.4857 -6.4857 -6.3740 -6.3740 2.4644 2.4644 2.5361 2.5361 3.2015 3.2015 3.3185 3.3185 3.8484 3.8484 4.0259 4.0259 4.1767 4.1767 4.3439 4.3439 5.3937 5.3937 5.4846 5.4846 5.5349 5.5349 5.6642 5.6642 10.5220 10.5220 10.6374 10.6374 10.8642 10.8642 11.0703 11.0703 11.3736 11.3736 k = 0.4778-0.0000-0.0000 ( 5098 PWs) bands (ev): -54.4606 -54.4606 -54.4580 -54.4580 -28.8331 -28.8331 -28.8234 -28.8234 -21.3193 -21.3193 -21.3124 -21.3124 -21.0674 -21.0674 -21.0555 -21.0555 -7.4054 -7.4054 -7.3919 -7.3919 -6.4651 -6.4651 -6.3904 -6.3904 2.4637 2.4637 2.5116 2.5116 3.2280 3.2280 3.3077 3.3077 3.8754 3.8754 3.9956 3.9956 4.2006 4.2006 4.3142 4.3142 5.4173 5.4173 5.4879 5.4879 5.5437 5.5437 5.6417 5.6417 10.5481 10.5481 10.6302 10.6302 10.8826 10.8826 11.0265 11.0265 11.3829 11.3829 k = 0.4889-0.0000-0.0000 ( 5096 PWs) bands (ev): -54.4600 -54.4600 -54.4587 -54.4587 -28.8307 -28.8307 -28.8259 -28.8259 -21.3179 -21.3179 -21.3144 -21.3144 -21.0646 -21.0646 -21.0586 -21.0586 -7.4010 -7.4010 -7.3942 -7.3942 -6.4451 -6.4451 -6.4077 -6.4077 2.4681 2.4681 2.4921 2.4921 3.2525 3.2525 3.2928 3.2928 3.9037 3.9037 3.9643 3.9643 4.2273 4.2273 4.2846 4.2846 5.4393 5.4393 5.4764 5.4764 5.5658 5.5658 5.6172 5.6172 10.5730 10.5730 10.6155 10.6155 10.9103 10.9103 10.9842 10.9842 11.3935 11.3935 k = 0.5000-0.0000-0.0000 ( 5100 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3972 -7.3972 -7.3972 -7.3972 -6.4260 -6.4260 -6.4260 -6.4260 2.4776 2.4776 2.4776 2.4776 3.2742 3.2742 3.2742 3.2742 3.9335 3.9335 3.9335 3.9335 4.2555 4.2555 4.2555 4.2555 5.4593 5.4593 5.4593 5.4593 5.5914 5.5914 5.5914 5.5914 10.5958 10.5958 10.5958 10.5958 10.9449 10.9449 10.9449 10.9449 11.4055 11.4055 k = 0.5000-0.0000-0.0000 ( 5100 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3972 -7.3972 -7.3972 -7.3972 -6.4260 -6.4260 -6.4260 -6.4260 2.4776 2.4776 2.4776 2.4776 3.2742 3.2742 3.2742 3.2742 3.9335 3.9335 3.9335 3.9335 4.2555 4.2555 4.2555 4.2555 5.4593 5.4593 5.4593 5.4593 5.5914 5.5914 5.5914 5.5914 10.5958 10.5958 10.5958 10.5958 10.9449 10.9449 10.9449 10.9449 11.4055 11.4055 k = 0.5000 0.0111-0.0000 ( 5096 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8285 -28.8285 -28.8283 -28.8283 -21.3220 -21.3220 -21.3104 -21.3104 -21.0673 -21.0673 -21.0563 -21.0563 -7.3971 -7.3971 -7.3970 -7.3970 -6.4269 -6.4269 -6.4226 -6.4226 2.4760 2.4760 2.4781 2.4781 3.2664 3.2664 3.2814 3.2814 3.9284 3.9284 3.9304 3.9304 4.2544 4.2544 4.2558 4.2558 5.4533 5.4533 5.4657 5.4657 5.5856 5.5856 5.6032 5.6032 10.5876 10.5876 10.5990 10.5990 10.9416 10.9416 10.9481 10.9481 11.3928 11.3928 k = 0.5000 0.0222-0.0000 ( 5098 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8286 -28.8286 -28.8282 -28.8282 -21.3277 -21.3277 -21.3047 -21.3047 -21.0731 -21.0731 -21.0511 -21.0511 -7.3968 -7.3968 -7.3966 -7.3966 -6.4254 -6.4254 -6.4168 -6.4168 2.4733 2.4733 2.4775 2.4775 3.2578 3.2578 3.2881 3.2881 3.9153 3.9153 3.9196 3.9196 4.2525 4.2525 4.2555 4.2555 5.4475 5.4475 5.4711 5.4711 5.5869 5.5869 5.6207 5.6207 10.5742 10.5742 10.5976 10.5976 10.9379 10.9379 10.9513 10.9513 11.3773 11.3773 k = 0.5000 0.0333-0.0000 ( 5102 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8288 -28.8288 -28.8282 -28.8282 -21.3333 -21.3333 -21.2990 -21.2990 -21.0790 -21.0790 -21.0462 -21.0462 -7.3962 -7.3962 -7.3959 -7.3959 -6.4214 -6.4214 -6.4085 -6.4085 2.4697 2.4697 2.4758 2.4758 3.2484 3.2484 3.2943 3.2943 3.8945 3.8945 3.9019 3.9019 4.2499 4.2499 4.2546 4.2546 5.4409 5.4409 5.4729 5.4729 5.5975 5.5975 5.6441 5.6441 10.5552 10.5552 10.5916 10.5916 10.9338 10.9338 10.9545 10.9545 11.3602 11.3602 k = 0.5000 0.0444-0.0000 ( 5092 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8290 -28.8290 -28.8282 -28.8282 -21.3389 -21.3389 -21.2934 -21.2934 -21.0851 -21.0851 -21.0414 -21.0414 -7.3953 -7.3953 -7.3949 -7.3949 -6.4149 -6.4149 -6.3978 -6.3978 2.4648 2.4648 2.4727 2.4727 3.2379 3.2379 3.3001 3.3001 3.8669 3.8669 3.8787 3.8787 4.2467 4.2467 4.2535 4.2535 5.4324 5.4324 5.4690 5.4690 5.6183 5.6183 5.6734 5.6734 10.5301 10.5301 10.5809 10.5809 10.9292 10.9292 10.9577 10.9577 11.3427 11.3427 k = 0.5000 0.0555-0.0000 ( 5104 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8292 -28.8292 -28.8283 -28.8283 -21.3443 -21.3443 -21.2879 -21.2879 -21.0912 -21.0912 -21.0371 -21.0371 -7.3942 -7.3942 -7.3937 -7.3937 -6.4061 -6.4061 -6.3848 -6.3848 2.4588 2.4588 2.4680 2.4680 3.2263 3.2263 3.3054 3.3054 3.8335 3.8335 3.8513 3.8513 4.2431 4.2431 4.2521 4.2521 5.4212 5.4212 5.4596 5.4596 5.6479 5.6479 5.7079 5.7079 10.4988 10.4988 10.5654 10.5654 10.9239 10.9239 10.9610 10.9610 11.3266 11.3266 k = 0.5000 0.0665-0.0000 ( 5092 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8294 -28.8294 -28.8283 -28.8283 -21.3497 -21.3497 -21.2825 -21.2825 -21.0974 -21.0974 -21.0329 -21.0329 -7.3928 -7.3928 -7.3922 -7.3922 -6.3948 -6.3948 -6.3695 -6.3695 2.4515 2.4515 2.4617 2.4617 3.2135 3.2135 3.3102 3.3102 3.7957 3.7957 3.8212 3.8212 4.2392 4.2392 4.2507 4.2507 5.4072 5.4072 5.4459 5.4459 5.6837 5.6837 5.7464 5.7464 10.4613 10.4613 10.5448 10.5448 10.9181 10.9181 10.9643 10.9643 11.3129 11.3129 k = 0.5000 0.0776-0.0000 ( 5100 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8297 -28.8297 -28.8284 -28.8284 -21.3549 -21.3549 -21.2773 -21.2773 -21.1035 -21.1035 -21.0291 -21.0291 -7.3912 -7.3912 -7.3905 -7.3905 -6.3813 -6.3813 -6.3520 -6.3520 2.4426 2.4426 2.4533 2.4533 3.1993 3.1993 3.3143 3.3143 3.7551 3.7551 3.7901 3.7901 4.2350 4.2350 4.2491 4.2491 5.3903 5.3903 5.4286 5.4286 5.7235 5.7235 5.7875 5.7875 10.4180 10.4180 10.5192 10.5192 10.9119 10.9119 10.9675 10.9675 11.3029 11.3029 k = 0.5000 0.0887-0.0000 ( 5100 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8300 -28.8300 -28.8285 -28.8285 -21.3600 -21.3600 -21.2724 -21.2724 -21.1096 -21.1096 -21.0255 -21.0255 -7.3893 -7.3893 -7.3886 -7.3886 -6.3654 -6.3654 -6.3324 -6.3324 2.4320 2.4320 2.4425 2.4425 3.1837 3.1837 3.3174 3.3174 3.7131 3.7131 3.7593 3.7593 4.2307 4.2307 4.2475 4.2475 5.3708 5.3708 5.4086 5.4086 5.7650 5.7650 5.8296 5.8296 10.3699 10.3699 10.4888 10.4888 10.9055 10.9055 10.9706 10.9706 11.2972 11.2972 k = 0.5000 0.0998-0.0000 ( 5100 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8303 -28.8303 -28.8287 -28.8287 -21.3649 -21.3649 -21.2677 -21.2677 -21.1155 -21.1155 -21.0223 -21.0223 -7.3873 -7.3873 -7.3865 -7.3865 -6.3474 -6.3474 -6.3107 -6.3107 2.4196 2.4196 2.4292 2.4292 3.1670 3.1670 3.3192 3.3192 3.6715 3.6715 3.7300 3.7300 4.2262 4.2262 4.2459 4.2459 5.3487 5.3487 5.3862 5.3862 5.8067 5.8067 5.8714 5.8714 10.3180 10.3180 10.4540 10.4540 10.8991 10.8991 10.9733 10.9733 11.2961 11.2961 k = 0.5000 0.1109-0.0000 ( 5104 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8306 -28.8306 -28.8288 -28.8288 -21.3697 -21.3697 -21.2636 -21.2636 -21.1211 -21.1211 -21.0193 -21.0193 -7.3850 -7.3850 -7.3842 -7.3842 -6.3273 -6.3273 -6.2871 -6.2871 2.4050 2.4050 2.4127 2.4127 3.1493 3.1493 3.3189 3.3189 3.6319 3.6319 3.7032 3.7032 4.2216 4.2216 4.2442 4.2442 5.3246 5.3246 5.3618 5.3618 5.8469 5.8469 5.9113 5.9113 10.2639 10.2639 10.4157 10.4157 10.8928 10.8928 10.9758 10.9758 11.2998 11.2998 k = 0.5000 0.1220-0.0000 ( 5096 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8309 -28.8309 -28.8290 -28.8290 -21.3742 -21.3742 -21.2599 -21.2599 -21.1263 -21.1263 -21.0166 -21.0166 -7.3826 -7.3826 -7.3817 -7.3817 -6.3052 -6.3052 -6.2617 -6.2617 2.3881 2.3881 2.3930 2.3930 3.1311 3.1311 3.3157 3.3157 3.5964 3.5964 3.6795 3.6795 4.2169 4.2169 4.2425 4.2425 5.2985 5.2985 5.3356 5.3356 5.8843 5.8843 5.9481 5.9481 10.2090 10.2090 10.3751 10.3751 10.8868 10.8868 10.9778 10.9778 11.3081 11.3081 k = 0.5000 0.1331-0.0000 ( 5096 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8313 -28.8313 -28.8292 -28.8292 -21.3786 -21.3786 -21.2570 -21.2570 -21.1310 -21.1310 -21.0143 -21.0143 -7.3799 -7.3799 -7.3790 -7.3790 -6.2812 -6.2812 -6.2345 -6.2345 2.3687 2.3687 2.3697 2.3697 3.1130 3.1130 3.3086 3.3086 3.5667 3.5667 3.6593 3.6593 4.2121 4.2121 4.2408 4.2408 5.2707 5.2707 5.3080 5.3080 5.9176 5.9176 5.9805 5.9805 10.1551 10.1551 10.3336 10.3336 10.8811 10.8811 10.9794 10.9794 11.3206 11.3206 k = 0.5000 0.1442-0.0000 ( 5096 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8316 -28.8316 -28.8295 -28.8295 -21.3827 -21.3827 -21.2548 -21.2548 -21.1350 -21.1350 -21.0122 -21.0122 -7.3772 -7.3772 -7.3762 -7.3762 -6.2554 -6.2554 -6.2059 -6.2059 2.3427 2.3427 2.3464 2.3464 3.0954 3.0954 3.2968 3.2968 3.5445 3.5445 3.6427 3.6427 4.2072 4.2072 4.2390 4.2390 5.2417 5.2417 5.2792 5.2792 5.9457 5.9457 6.0074 6.0074 10.1037 10.1037 10.2926 10.2926 10.8756 10.8756 10.9804 10.9804 11.3372 11.3372 k = 0.5000 0.1553-0.0000 ( 5096 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8320 -28.8320 -28.8297 -28.8297 -21.3866 -21.3866 -21.2536 -21.2536 -21.1381 -21.1381 -21.0105 -21.0105 -7.3742 -7.3742 -7.3733 -7.3733 -6.2280 -6.2280 -6.1758 -6.1758 2.3119 2.3119 2.3213 2.3213 3.0790 3.0790 3.2805 3.2805 3.5304 3.5304 3.6297 3.6297 4.2023 4.2023 4.2374 4.2374 5.2115 5.2115 5.2495 5.2495 5.9676 5.9676 6.0279 6.0279 10.0562 10.0562 10.2537 10.2537 10.8702 10.8702 10.9808 10.9808 11.3575 11.3575 k = 0.5000 0.1664-0.0000 ( 5096 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8323 -28.8323 -28.8300 -28.8300 -21.3903 -21.3903 -21.2534 -21.2534 -21.1404 -21.1404 -21.0090 -21.0090 -7.3712 -7.3712 -7.3703 -7.3703 -6.1991 -6.1991 -6.1445 -6.1445 2.2775 2.2775 2.2933 2.2933 3.0641 3.0641 3.2607 3.2607 3.5237 3.5237 3.6201 3.6201 4.1972 4.1972 4.2357 4.2357 5.1806 5.1806 5.2192 5.2192 5.9825 5.9825 6.0411 6.0411 10.0137 10.0137 10.2181 10.2181 10.8648 10.8648 10.9805 10.9805 11.3812 11.3812 k = 0.5000 0.1774-0.0000 ( 5092 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8327 -28.8327 -28.8303 -28.8303 -21.3937 -21.3937 -21.2543 -21.2543 -21.1415 -21.1415 -21.0078 -21.0078 -7.3681 -7.3681 -7.3671 -7.3671 -6.1688 -6.1688 -6.1121 -6.1121 2.2398 2.2398 2.2623 2.2623 3.0512 3.0512 3.2389 3.2389 3.5232 3.5232 3.6136 3.6136 4.1921 4.1921 4.2342 4.2342 5.1491 5.1491 5.1885 5.1885 5.9899 5.9899 6.0465 6.0465 9.9774 9.9774 10.1869 10.1869 10.8591 10.8591 10.9794 10.9794 11.4081 11.4081 k = 0.5000 0.1885-0.0000 ( 5086 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8330 -28.8330 -28.8306 -28.8306 -21.3969 -21.3969 -21.2563 -21.2563 -21.1416 -21.1416 -21.0069 -21.0069 -7.3649 -7.3649 -7.3639 -7.3639 -6.1374 -6.1374 -6.0789 -6.0789 2.1992 2.1992 2.2286 2.2286 3.0403 3.0403 3.2167 3.2167 3.5277 3.5277 3.6102 3.6102 4.1870 4.1870 4.2328 4.2328 5.1173 5.1173 5.1576 5.1576 5.9892 5.9892 6.0436 6.0436 9.9478 9.9478 10.1611 10.1611 10.8530 10.8530 10.9773 10.9773 11.4380 11.4380 k = 0.5000 0.1996-0.0000 ( 5082 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8333 -28.8333 -28.8309 -28.8309 -21.3998 -21.3998 -21.2594 -21.2594 -21.1408 -21.1408 -21.0063 -21.0063 -7.3616 -7.3616 -7.3607 -7.3607 -6.1049 -6.1049 -6.0450 -6.0450 2.1563 2.1563 2.1923 2.1923 3.0315 3.0315 3.1953 3.1953 3.5359 3.5359 3.6094 3.6094 4.1819 4.1819 4.2316 4.2316 5.0854 5.0854 5.1268 5.1268 5.9803 5.9803 6.0322 6.0322 9.9255 9.9255 10.1411 10.1411 10.8462 10.8462 10.9741 10.9741 11.4707 11.4707 k = 0.5000 0.2107-0.0000 ( 5088 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8337 -28.8337 -28.8312 -28.8312 -21.4024 -21.4024 -21.2635 -21.2635 -21.1390 -21.1390 -21.0061 -21.0061 -7.3584 -7.3584 -7.3574 -7.3574 -6.0716 -6.0716 -6.0106 -6.0106 2.1115 2.1115 2.1537 2.1537 3.0247 3.0247 3.1755 3.1755 3.5471 3.5471 3.6111 3.6111 4.1768 4.1768 4.2306 4.2306 5.0538 5.0538 5.0964 5.0964 5.9632 5.9632 6.0125 6.0125 9.9105 9.9105 10.1274 10.1274 10.8387 10.8387 10.9698 10.9698 11.5059 11.5059 k = 0.5000 0.2218-0.0000 ( 5092 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8341 -28.8341 -28.8316 -28.8316 -21.4047 -21.4047 -21.2683 -21.2683 -21.1365 -21.1365 -21.0060 -21.0060 -7.3551 -7.3551 -7.3542 -7.3542 -6.0377 -6.0377 -5.9760 -5.9760 2.0655 2.0655 2.1132 2.1132 3.0196 3.0196 3.1576 3.1576 3.5607 3.5607 3.6151 3.6151 4.1718 4.1718 4.2298 4.2298 5.0225 5.0225 5.0666 5.0666 5.9380 5.9380 5.9847 5.9847 9.9029 9.9029 10.1199 10.1199 10.8302 10.8302 10.9641 10.9641 11.5437 11.5437 k = 0.5000 0.2329-0.0000 ( 5084 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8344 -28.8344 -28.8319 -28.8319 -21.4067 -21.4067 -21.2738 -21.2738 -21.1333 -21.1333 -21.0063 -21.0063 -7.3518 -7.3518 -7.3509 -7.3509 -6.0034 -6.0034 -5.9413 -5.9413 2.0188 2.0188 2.0713 2.0713 3.0162 3.0162 3.1417 3.1417 3.5763 3.5763 3.6211 3.6211 4.1668 4.1668 4.2293 4.2293 4.9920 4.9920 5.0376 5.0376 5.9053 5.9053 5.9492 5.9492 9.9024 9.9024 10.1187 10.1187 10.8207 10.8207 10.9570 10.9570 11.5837 11.5837 k = 0.5000 0.2440-0.0000 ( 5084 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8347 -28.8347 -28.8323 -28.8323 -21.4084 -21.4084 -21.2797 -21.2797 -21.1297 -21.1297 -21.0068 -21.0068 -7.3485 -7.3485 -7.3477 -7.3477 -5.9688 -5.9688 -5.9068 -5.9068 1.9720 1.9720 2.0285 2.0285 3.0142 3.0142 3.1279 3.1279 3.5938 3.5938 3.6291 3.6291 4.1619 4.1619 4.2292 4.2292 4.9623 4.9623 5.0096 5.0096 5.8656 5.8656 5.9068 5.9068 9.9083 9.9083 10.1232 10.1232 10.8099 10.8099 10.9485 10.9485 11.6259 11.6259 k = 0.5000 0.2551-0.0000 ( 5088 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8350 -28.8350 -28.8326 -28.8326 -21.4097 -21.4097 -21.2861 -21.2861 -21.1256 -21.1256 -21.0076 -21.0076 -7.3453 -7.3453 -7.3445 -7.3445 -5.9343 -5.9343 -5.8727 -5.8727 1.9257 1.9257 1.9850 1.9850 3.0134 3.0134 3.1161 3.1161 3.6128 3.6128 3.6388 3.6388 4.1572 4.1572 4.2294 4.2294 4.9337 4.9337 4.9829 4.9829 5.8196 5.8196 5.8582 5.8582 9.9201 9.9201 10.1330 10.1330 10.7978 10.7978 10.9383 10.9383 11.6699 11.6699 k = 0.5000 0.2662-0.0000 ( 5092 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8353 -28.8353 -28.8330 -28.8330 -21.4108 -21.4108 -21.2927 -21.2927 -21.1213 -21.1213 -21.0087 -21.0087 -7.3421 -7.3421 -7.3414 -7.3414 -5.9000 -5.9000 -5.8393 -5.8393 1.8803 1.8803 1.9416 1.9416 3.0135 3.0135 3.1059 3.1059 3.6331 3.6331 3.6501 3.6501 4.1528 4.1528 4.2300 4.2300 4.9064 4.9064 4.9577 4.9577 5.7681 5.7681 5.8043 5.8043 9.9371 9.9371 10.1475 10.1475 10.7843 10.7843 10.9266 10.9266 11.7155 11.7155 k = 0.5000 0.2773-0.0000 ( 5108 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8357 -28.8357 -28.8334 -28.8334 -21.4115 -21.4115 -21.2994 -21.2994 -21.1168 -21.1168 -21.0101 -21.0101 -7.3391 -7.3391 -7.3384 -7.3384 -5.8661 -5.8661 -5.8069 -5.8069 1.8362 1.8362 1.8984 1.8984 3.0144 3.0144 3.0974 3.0974 3.6546 3.6546 3.6628 3.6628 4.1486 4.1486 4.2311 4.2311 4.8807 4.8807 4.9342 4.9342 5.7120 5.7120 5.7460 5.7460 9.9585 9.9585 10.1660 10.1660 10.7694 10.7694 10.9132 10.9132 11.7624 11.7624 k = 0.5000 0.2883-0.0000 ( 5104 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8359 -28.8359 -28.8338 -28.8338 -21.4118 -21.4118 -21.3063 -21.3063 -21.1121 -21.1121 -21.0116 -21.0116 -7.3362 -7.3362 -7.3355 -7.3355 -5.8330 -5.8330 -5.7755 -5.7755 1.7939 1.7939 1.8561 1.8561 3.0160 3.0160 3.0901 3.0901 3.6767 3.6767 3.6770 3.6770 4.1449 4.1449 4.2326 4.2326 4.8568 4.8568 4.9125 4.9125 5.6522 5.6522 5.6842 5.6842 9.9836 9.9836 10.1879 10.1879 10.7530 10.7530 10.8982 10.8982 11.8103 11.8103 k = 0.5000 0.2994-0.0000 ( 5108 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8362 -28.8362 -28.8341 -28.8341 -21.4119 -21.4119 -21.3132 -21.3132 -21.1073 -21.1073 -21.0135 -21.0135 -7.3334 -7.3334 -7.3327 -7.3327 -5.8008 -5.8008 -5.7456 -5.7456 1.7536 1.7536 1.8150 1.8150 3.0181 3.0181 3.0841 3.0841 3.6917 3.6917 3.7001 3.7001 4.1417 4.1417 4.2345 4.2345 4.8349 4.8349 4.8930 4.8930 5.5896 5.5896 5.6200 5.6200 10.0117 10.0117 10.2125 10.2125 10.7352 10.7352 10.8816 10.8816 11.8586 11.8586 k = 0.5000 0.3105-0.0000 ( 5108 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8364 -28.8364 -28.8345 -28.8345 -21.4115 -21.4115 -21.3200 -21.3200 -21.1024 -21.1024 -21.0155 -21.0155 -7.3307 -7.3307 -7.3301 -7.3301 -5.7698 -5.7698 -5.7173 -5.7173 1.7158 1.7158 1.7754 1.7754 3.0205 3.0205 3.0790 3.0790 3.7076 3.7076 3.7236 3.7236 4.1393 4.1393 4.2368 4.2368 4.8152 4.8152 4.8759 4.8759 5.5251 5.5251 5.5543 5.5543 10.0421 10.0421 10.2393 10.2393 10.7160 10.7160 10.8635 10.8635 11.9068 11.9068 k = 0.5000 0.3216-0.0000 ( 5108 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8366 -28.8366 -28.8348 -28.8348 -21.4108 -21.4108 -21.3268 -21.3268 -21.0975 -21.0975 -21.0177 -21.0177 -7.3282 -7.3282 -7.3277 -7.3277 -5.7403 -5.7403 -5.6908 -5.6908 1.6807 1.6807 1.7376 1.7376 3.0232 3.0232 3.0747 3.0747 3.7240 3.7240 3.7469 3.7469 4.1378 4.1378 4.2393 4.2393 4.7983 4.7983 4.8612 4.8612 5.4595 5.4595 5.4879 5.4879 10.0742 10.0742 10.2676 10.2676 10.6955 10.6955 10.8439 10.8439 11.9545 11.9545 k = 0.5000 0.3327-0.0000 ( 5112 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8368 -28.8368 -28.8351 -28.8351 -21.4097 -21.4097 -21.3335 -21.3335 -21.0925 -21.0925 -21.0202 -21.0202 -7.3259 -7.3259 -7.3254 -7.3254 -5.7124 -5.7124 -5.6665 -5.6665 1.6485 1.6485 1.7021 1.7021 3.0260 3.0260 3.0710 3.0710 3.7408 3.7408 3.7697 3.7697 4.1376 4.1376 4.2419 4.2419 4.7843 4.7843 4.8493 4.8493 5.3937 5.3937 5.4217 5.4217 10.1075 10.1075 10.2970 10.2970 10.6737 10.6737 10.8229 10.8229 12.0010 12.0010 k = 0.5000 0.3438-0.0000 ( 5104 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8369 -28.8369 -28.8354 -28.8354 -21.4083 -21.4083 -21.3400 -21.3400 -21.0876 -21.0876 -21.0229 -21.0229 -7.3238 -7.3238 -7.3234 -7.3234 -5.6863 -5.6863 -5.6444 -5.6444 1.6196 1.6196 1.6691 1.6691 3.0289 3.0289 3.0679 3.0679 3.7576 3.7576 3.7913 3.7913 4.1389 4.1389 4.2443 4.2443 4.7736 4.7736 4.8403 4.8403 5.3286 5.3286 5.3566 5.3566 10.1415 10.1415 10.3270 10.3270 10.6508 10.6508 10.8006 10.8006 12.0457 12.0457 k = 0.5000 0.3549-0.0000 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8370 -28.8370 -28.8356 -28.8356 -21.4065 -21.4065 -21.3463 -21.3463 -21.0827 -21.0827 -21.0257 -21.0257 -7.3219 -7.3219 -7.3215 -7.3215 -5.6624 -5.6624 -5.6248 -5.6248 1.5940 1.5940 1.6389 1.6389 3.0318 3.0318 3.0651 3.0651 3.7742 3.7742 3.8110 3.8110 4.1420 4.1420 4.2463 4.2463 4.7668 4.7668 4.8345 4.8345 5.2650 5.2650 5.2934 5.2934 10.1760 10.1760 10.3572 10.3572 10.6270 10.6270 10.7771 10.7771 12.0878 12.0878 k = 0.5000 0.3660-0.0000 ( 5098 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8371 -28.8371 -28.8359 -28.8359 -21.4043 -21.4043 -21.3525 -21.3525 -21.0779 -21.0779 -21.0288 -21.0288 -7.3202 -7.3202 -7.3199 -7.3199 -5.6408 -5.6408 -5.6079 -5.6079 1.5721 1.5721 1.6116 1.6116 3.0347 3.0347 3.0627 3.0627 3.7903 3.7903 3.8283 3.8283 4.1473 4.1473 4.2473 4.2473 4.7642 4.7642 4.8320 4.8320 5.2037 5.2037 5.2330 5.2330 10.2106 10.2106 10.3870 10.3870 10.6027 10.6027 10.7526 10.7526 12.1268 12.1268 k = 0.5000 0.3771-0.0000 ( 5094 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8371 -28.8371 -28.8361 -28.8361 -21.4018 -21.4018 -21.3584 -21.3584 -21.0731 -21.0731 -21.0321 -21.0321 -7.3188 -7.3188 -7.3185 -7.3185 -5.6217 -5.6217 -5.5938 -5.5938 1.5538 1.5538 1.5876 1.5876 3.0375 3.0375 3.0604 3.0604 3.8056 3.8056 3.8424 3.8424 4.1549 4.1549 4.2470 4.2470 4.7663 4.7663 4.8327 4.8327 5.1457 5.1457 5.1761 5.1761 10.2450 10.2450 10.4156 10.4156 10.5785 10.5785 10.7271 10.7271 12.1618 12.1618 k = 0.5000 0.3882-0.0000 ( 5098 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8372 -28.8372 -28.8364 -28.8364 -21.3989 -21.3989 -21.3641 -21.3641 -21.0685 -21.0685 -21.0355 -21.0355 -7.3176 -7.3176 -7.3174 -7.3174 -5.6053 -5.6053 -5.5826 -5.5826 1.5394 1.5394 1.5670 1.5670 3.0403 3.0403 3.0583 3.0583 3.8197 3.8197 3.8529 3.8529 4.1647 4.1647 4.2448 4.2448 4.7734 4.7734 4.8365 4.8365 5.0922 5.0922 5.1236 5.1236 10.2790 10.2790 10.4409 10.4409 10.5565 10.5565 10.7009 10.7009 12.1923 12.1923 k = 0.5000 0.3992-0.0000 ( 5094 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8371 -28.8371 -28.8365 -28.8365 -21.3957 -21.3957 -21.3695 -21.3695 -21.0639 -21.0639 -21.0391 -21.0391 -7.3166 -7.3166 -7.3165 -7.3165 -5.5917 -5.5917 -5.5745 -5.5745 1.5290 1.5290 1.5499 1.5499 3.0429 3.0429 3.0563 3.0563 3.8323 3.8323 3.8596 3.8596 4.1762 4.1762 4.2405 4.2405 4.7853 4.7853 4.8425 4.8425 5.0452 5.0452 5.0765 5.0765 10.3125 10.3125 10.4570 10.4570 10.5426 10.5426 10.6739 10.6739 12.2175 12.2175 k = 0.5000 0.4103-0.0000 ( 5090 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8371 -28.8371 -28.8367 -28.8367 -21.3922 -21.3922 -21.3747 -21.3747 -21.0594 -21.0594 -21.0429 -21.0429 -7.3159 -7.3159 -7.3158 -7.3158 -5.5810 -5.5810 -5.5694 -5.5694 1.5225 1.5225 1.5366 1.5366 3.0454 3.0454 3.0542 3.0542 3.8432 3.8432 3.8626 3.8626 4.1889 4.1889 4.2339 4.2339 4.8017 4.8017 4.8482 4.8482 5.0079 5.0079 5.0362 5.0362 10.3452 10.3452 10.4537 10.4537 10.5469 10.5469 10.6466 10.6466 12.2368 12.2368 k = 0.5000 0.4214-0.0000 ( 5094 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8371 -28.8371 -28.8369 -28.8369 -21.3883 -21.3883 -21.3795 -21.3795 -21.0551 -21.0551 -21.0468 -21.0468 -7.3155 -7.3155 -7.3155 -7.3155 -5.5734 -5.5734 -5.5676 -5.5676 1.5200 1.5200 1.5271 1.5271 3.0477 3.0477 3.0521 3.0521 3.8521 3.8521 3.8621 3.8621 4.2018 4.2018 4.2250 4.2250 4.8206 4.8206 4.8484 4.8484 4.9863 4.9863 5.0046 5.0046 10.3768 10.3768 10.4338 10.4338 10.5665 10.5665 10.6190 10.6190 12.2496 12.2496 k = 0.5000 0.4325-0.0000 ( 5088 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5216 1.5216 1.5216 1.5216 3.0500 3.0500 3.0500 3.0500 3.8585 3.8585 3.8585 3.8585 4.2141 4.2141 4.2141 4.2141 4.8383 4.8383 4.8383 4.8383 4.9859 4.9859 4.9859 4.9859 10.4068 10.4068 10.4068 10.4068 10.5919 10.5919 10.5919 10.5919 12.2554 12.2554 k = 0.5000 0.4325-0.0000 ( 5088 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5216 1.5216 1.5216 1.5216 3.0500 3.0500 3.0500 3.0500 3.8585 3.8585 3.8585 3.8585 4.2141 4.2141 4.2141 4.2141 4.8383 4.8383 4.8383 4.8383 4.9859 4.9859 4.9859 4.9859 10.4068 10.4068 10.4068 10.4068 10.5919 10.5919 10.5919 10.5919 12.2554 12.2554 k = 0.4889 0.4325-0.0000 ( 5094 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8372 -28.8372 -28.8367 -28.8367 -21.3892 -21.3892 -21.3785 -21.3785 -21.0556 -21.0556 -21.0463 -21.0463 -7.3167 -7.3167 -7.3147 -7.3147 -5.5734 -5.5734 -5.5655 -5.5655 1.5222 1.5222 1.5242 1.5242 3.0511 3.0511 3.0514 3.0514 3.8556 3.8556 3.8568 3.8568 4.2092 4.2092 4.2143 4.2143 4.8367 4.8367 4.8412 4.8412 4.9866 4.9866 4.9890 4.9890 10.3888 10.3888 10.4085 10.4085 10.5757 10.5757 10.6211 10.6211 12.2546 12.2546 k = 0.4778 0.4325-0.0000 ( 5094 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8374 -28.8374 -28.8363 -28.8363 -21.3940 -21.3940 -21.3726 -21.3726 -21.0604 -21.0604 -21.0418 -21.0418 -7.3188 -7.3188 -7.3149 -7.3149 -5.5790 -5.5790 -5.5631 -5.5631 1.5259 1.5259 1.5299 1.5299 3.0548 3.0548 3.0553 3.0553 3.8483 3.8483 3.8506 3.8506 4.1999 4.1999 4.2099 4.2099 4.8363 4.8363 4.8455 4.8455 4.9909 4.9909 4.9956 4.9956 10.3622 10.3622 10.3898 10.3898 10.5769 10.5769 10.6554 10.6554 12.2522 12.2522 k = 0.4667 0.4325-0.0000 ( 5102 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8375 -28.8375 -28.8359 -28.8359 -21.3983 -21.3983 -21.3664 -21.3664 -21.0652 -21.0652 -21.0373 -21.0373 -7.3216 -7.3216 -7.3157 -7.3157 -5.5856 -5.5856 -5.5619 -5.5619 1.5326 1.5326 1.5387 1.5387 3.0611 3.0611 3.0617 3.0617 3.8368 3.8368 3.8400 3.8400 4.1864 4.1864 4.2010 4.2010 4.8375 4.8375 4.8515 4.8515 4.9983 4.9983 5.0051 5.0051 10.3315 10.3315 10.3565 10.3565 10.5900 10.5900 10.6898 10.6898 12.2482 12.2482 k = 0.4556 0.4325-0.0000 ( 5116 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8376 -28.8376 -28.8354 -28.8354 -21.4024 -21.4024 -21.3598 -21.3598 -21.0702 -21.0702 -21.0330 -21.0330 -7.3251 -7.3251 -7.3173 -7.3173 -5.5932 -5.5932 -5.5617 -5.5617 1.5424 1.5424 1.5506 1.5506 3.0701 3.0701 3.0705 3.0705 3.8216 3.8216 3.8253 3.8253 4.1688 4.1688 4.1875 4.1875 4.8405 4.8405 4.8595 4.8595 5.0078 5.0078 5.0166 5.0166 10.2993 10.2993 10.3163 10.3163 10.6076 10.6076 10.7216 10.7216 12.2428 12.2428 k = 0.4444 0.4325-0.0000 ( 5116 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8376 -28.8376 -28.8349 -28.8349 -21.4059 -21.4059 -21.3528 -21.3528 -21.0751 -21.0751 -21.0287 -21.0287 -7.3294 -7.3294 -7.3197 -7.3197 -5.6017 -5.6017 -5.5626 -5.5626 1.5551 1.5551 1.5653 1.5653 3.0816 3.0816 3.0818 3.0818 3.8032 3.8032 3.8070 3.8070 4.1476 4.1476 4.1699 4.1699 4.8454 4.8454 4.8698 4.8698 5.0186 5.0186 5.0294 5.0294 10.2670 10.2670 10.2739 10.2739 10.6256 10.6256 10.7495 10.7495 12.2359 12.2359 k = 0.4333 0.4325-0.0000 ( 5118 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8375 -28.8375 -28.8343 -28.8343 -21.4091 -21.4091 -21.3454 -21.3454 -21.0802 -21.0802 -21.0245 -21.0245 -7.3343 -7.3343 -7.3227 -7.3227 -5.6111 -5.6111 -5.5646 -5.5646 1.5707 1.5707 1.5829 1.5829 3.0951 3.0951 3.0962 3.0962 3.7822 3.7822 3.7854 3.7854 4.1231 4.1231 4.1485 4.1485 4.8520 4.8520 4.8823 4.8823 5.0300 5.0300 5.0427 5.0427 10.2314 10.2314 10.2355 10.2355 10.6421 10.6421 10.7724 10.7724 12.2277 12.2277 k = 0.4222 0.4325-0.0000 ( 5118 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8374 -28.8374 -28.8336 -28.8336 -21.4119 -21.4119 -21.3378 -21.3378 -21.0853 -21.0853 -21.0204 -21.0204 -7.3400 -7.3400 -7.3265 -7.3265 -5.6213 -5.6213 -5.5676 -5.5676 1.5888 1.5888 1.6031 1.6031 3.1107 3.1107 3.1134 3.1134 3.7591 3.7591 3.7610 3.7610 4.0959 4.0959 4.1240 4.1240 4.8600 4.8600 4.8967 4.8967 5.0412 5.0412 5.0560 5.0560 10.1901 10.1901 10.2054 10.2054 10.6563 10.6563 10.7902 10.7902 12.2182 12.2182 k = 0.4111 0.4325-0.0000 ( 5114 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8371 -28.8371 -28.8329 -28.8329 -21.4143 -21.4143 -21.3298 -21.3298 -21.0904 -21.0904 -21.0164 -21.0164 -7.3463 -7.3463 -7.3311 -7.3311 -5.6323 -5.6323 -5.5715 -5.5715 1.6095 1.6095 1.6259 1.6259 3.1281 3.1281 3.1334 3.1334 3.7341 3.7341 3.7348 3.7348 4.0665 4.0665 4.0969 4.0969 4.8689 4.8689 4.9125 4.9125 5.0518 5.0518 5.0690 5.0690 10.1509 10.1509 10.1773 10.1773 10.6679 10.6679 10.8028 10.8028 12.2075 12.2075 k = 0.4000 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8368 -28.8368 -28.8321 -28.8321 -21.4162 -21.4162 -21.3215 -21.3215 -21.0956 -21.0956 -21.0124 -21.0124 -7.3534 -7.3534 -7.3363 -7.3363 -5.6439 -5.6439 -5.5763 -5.5763 1.6325 1.6325 1.6509 1.6509 3.1472 3.1472 3.1562 3.1562 3.7051 3.7051 3.7099 3.7099 4.0356 4.0356 4.0678 4.0678 4.8781 4.8781 4.9290 4.9290 5.0616 5.0616 5.0813 5.0813 10.1142 10.1142 10.1515 10.1515 10.6770 10.6770 10.8107 10.8107 12.1958 12.1958 k = 0.3889 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8365 -28.8365 -28.8313 -28.8313 -21.4178 -21.4178 -21.3130 -21.3130 -21.1008 -21.1008 -21.0086 -21.0086 -7.3610 -7.3610 -7.3423 -7.3423 -5.6560 -5.6560 -5.5820 -5.5820 1.6576 1.6576 1.6781 1.6781 3.1672 3.1672 3.1818 3.1818 3.6745 3.6745 3.6854 3.6854 4.0036 4.0036 4.0375 4.0375 4.8870 4.8870 4.9455 4.9455 5.0705 5.0705 5.0927 5.0927 10.0803 10.0803 10.1282 10.1282 10.6839 10.6839 10.8144 10.8144 12.1830 12.1830 k = 0.3778 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4594 -54.4594 -54.4594 -54.4594 -28.8361 -28.8361 -28.8305 -28.8305 -21.4191 -21.4191 -21.3042 -21.3042 -21.1060 -21.1060 -21.0049 -21.0049 -7.3693 -7.3693 -7.3490 -7.3490 -5.6686 -5.6686 -5.5885 -5.5885 1.6847 1.6847 1.7071 1.7071 3.1875 3.1875 3.2100 3.2100 3.6427 3.6427 3.6624 3.6624 3.9712 3.9712 4.0063 4.0063 4.8951 4.8951 4.9612 4.9612 5.0785 5.0785 5.1031 5.1031 10.0496 10.0496 10.1076 10.1076 10.6888 10.6888 10.8148 10.8148 12.1693 12.1693 k = 0.3667 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4595 -54.4595 -54.4595 -54.4595 -28.8356 -28.8356 -28.8296 -28.8296 -21.4199 -21.4199 -21.2953 -21.2953 -21.1113 -21.1113 -21.0013 -21.0013 -7.3782 -7.3782 -7.3564 -7.3564 -5.6816 -5.6816 -5.5958 -5.5958 1.7134 1.7134 1.7379 1.7379 3.2066 3.2066 3.2406 3.2406 3.6102 3.6102 3.6425 3.6425 3.9388 3.9388 3.9749 3.9749 4.9017 4.9017 4.9750 4.9750 5.0860 5.0860 5.1125 5.1125 10.0221 10.0221 10.0898 10.0898 10.6923 10.6923 10.8126 10.8126 12.1548 12.1548 k = 0.3556 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4597 -54.4597 -54.4597 -54.4597 -28.8351 -28.8351 -28.8287 -28.8287 -21.4204 -21.4204 -21.2861 -21.2861 -21.1166 -21.1166 -20.9978 -20.9978 -7.3877 -7.3877 -7.3644 -7.3644 -5.6949 -5.6949 -5.6037 -5.6037 1.7437 1.7437 1.7700 1.7700 3.2228 3.2228 3.2729 3.2729 3.5781 3.5781 3.6276 3.6276 3.9069 3.9069 3.9437 3.9437 4.9065 4.9065 4.9860 4.9860 5.0934 5.0934 5.1209 5.1209 9.9978 9.9978 10.0747 10.0747 10.6948 10.6948 10.8087 10.8087 12.1394 12.1394 k = 0.3444 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4598 -54.4598 -54.4598 -54.4598 -28.8345 -28.8345 -28.8278 -28.8278 -21.4206 -21.4206 -21.2767 -21.2767 -21.1219 -21.1219 -20.9944 -20.9944 -7.3978 -7.3978 -7.3731 -7.3731 -5.7084 -5.7084 -5.6123 -5.6123 1.7753 1.7753 1.8035 1.8035 3.2340 3.2340 3.3053 3.3053 3.5481 3.5481 3.6202 3.6202 3.8760 3.8760 3.9129 3.9129 4.9090 4.9090 4.9934 4.9934 5.1011 5.1011 5.1282 5.1282 9.9769 9.9769 10.0624 10.0624 10.6967 10.6967 10.8039 10.8039 12.1234 12.1234 k = 0.3333 0.4325-0.0000 ( 5114 PWs) bands (ev): -54.4600 -54.4600 -54.4600 -54.4600 -28.8339 -28.8339 -28.8269 -28.8269 -21.4204 -21.4204 -21.2672 -21.2672 -21.1272 -21.1272 -20.9912 -20.9912 -7.4084 -7.4084 -7.3825 -7.3825 -5.7220 -5.7220 -5.6214 -5.6214 1.8079 1.8079 1.8379 1.8379 3.2379 3.2379 3.3341 3.3341 3.5241 3.5241 3.6222 3.6222 3.8465 3.8465 3.8831 3.8831 4.9092 4.9092 4.9969 4.9969 5.1093 5.1093 5.1343 5.1343 9.9593 9.9593 10.0528 10.0528 10.6983 10.6983 10.7988 10.7988 12.1067 12.1067 k = 0.3222 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4601 -54.4601 -54.4601 -54.4601 -28.8332 -28.8332 -28.8259 -28.8259 -21.4198 -21.4198 -21.2577 -21.2577 -21.1324 -21.1324 -20.9880 -20.9880 -7.4194 -7.4194 -7.3924 -7.3924 -5.7356 -5.7356 -5.6310 -5.6310 1.8415 1.8415 1.8731 1.8731 3.2333 3.2333 3.3513 3.3513 3.5142 3.5142 3.6347 3.6347 3.8193 3.8193 3.8543 3.8543 4.9067 4.9067 4.9963 4.9963 5.1176 5.1176 5.1392 5.1392 9.9450 9.9450 10.0458 10.0458 10.7001 10.7001 10.7940 10.7940 12.0892 12.0892 k = 0.3111 0.4325-0.0000 ( 5122 PWs) bands (ev): -54.4603 -54.4603 -54.4603 -54.4603 -28.8325 -28.8325 -28.8250 -28.8250 -21.4190 -21.4190 -21.2482 -21.2482 -21.1375 -21.1375 -20.9850 -20.9850 -7.4309 -7.4309 -7.4029 -7.4029 -5.7491 -5.7491 -5.6410 -5.6410 1.8758 1.8758 1.9088 1.9088 3.2206 3.2206 3.3481 3.3481 3.5273 3.5273 3.6559 3.6559 3.7960 3.7960 3.8269 3.8269 4.9018 4.9018 4.9921 4.9921 5.1256 5.1256 5.1426 5.1426 9.9338 9.9338 10.0412 10.0412 10.7022 10.7022 10.7900 10.7900 12.0711 12.0711 k = 0.3000 0.4325-0.0000 ( 5118 PWs) bands (ev): -54.4604 -54.4604 -54.4604 -54.4604 -28.8317 -28.8317 -28.8240 -28.8240 -21.4178 -21.4178 -21.2387 -21.2387 -21.1424 -21.1424 -20.9822 -20.9822 -7.4428 -7.4428 -7.4140 -7.4140 -5.7624 -5.7624 -5.6514 -5.6514 1.9106 1.9106 1.9450 1.9450 3.2012 3.2012 3.3274 3.3274 3.5603 3.5603 3.6795 3.6795 3.7817 3.7817 3.8014 3.8014 4.8946 4.8946 4.9849 4.9849 5.1327 5.1327 5.1444 5.1444 9.9258 9.9258 10.0390 10.0390 10.7049 10.7049 10.7873 10.7873 12.0523 12.0523 k = 0.2889 0.4325-0.0000 ( 5110 PWs) bands (ev): -54.4606 -54.4606 -54.4606 -54.4606 -28.8308 -28.8308 -28.8230 -28.8230 -21.4163 -21.4163 -21.2294 -21.2294 -21.1471 -21.1471 -20.9794 -20.9794 -7.4550 -7.4550 -7.4255 -7.4255 -5.7755 -5.7755 -5.6621 -5.6621 1.9459 1.9459 1.9813 1.9813 3.1769 3.1769 3.2977 3.2977 3.6037 3.6037 3.6907 3.6907 3.7786 3.7786 3.7896 3.7896 4.8852 4.8852 4.9752 4.9752 5.1384 5.1384 5.1444 5.1444 9.9207 9.9207 10.0389 10.0389 10.7082 10.7082 10.7860 10.7860 12.0328 12.0328 k = 0.2778 0.4325-0.0000 ( 5114 PWs) bands (ev): -54.4607 -54.4607 -54.4607 -54.4607 -28.8300 -28.8300 -28.8221 -28.8221 -21.4145 -21.4145 -21.2206 -21.2206 -21.1513 -21.1513 -20.9769 -20.9769 -7.4675 -7.4675 -7.4375 -7.4375 -5.7883 -5.7883 -5.6731 -5.6731 1.9814 1.9814 2.0177 2.0177 3.1493 3.1493 3.2644 3.2644 3.6492 3.6492 3.6826 3.6826 3.7618 3.7618 3.8249 3.8249 4.8740 4.8740 4.9635 4.9635 5.1424 5.1424 5.1425 5.1425 9.9184 9.9184 10.0407 10.0407 10.7124 10.7124 10.7863 10.7863 12.0125 12.0125 k = 0.2667 0.4325-0.0000 ( 5118 PWs) bands (ev): -54.4609 -54.4609 -54.4609 -54.4609 -28.8292 -28.8292 -28.8212 -28.8212 -21.4125 -21.4125 -21.2126 -21.2126 -21.1546 -21.1546 -20.9745 -20.9745 -7.4803 -7.4803 -7.4499 -7.4499 -5.8007 -5.8007 -5.6842 -5.6842 2.0170 2.0170 2.0539 2.0539 3.1198 3.1198 3.2298 3.2298 3.6662 3.6662 3.6808 3.6808 3.7645 3.7645 3.8752 3.8752 4.8613 4.8613 4.9505 4.9505 5.1384 5.1384 5.1443 5.1443 9.9187 9.9187 10.0442 10.0442 10.7173 10.7173 10.7884 10.7884 11.9913 11.9913 k = 0.2556 0.4325-0.0000 ( 5120 PWs) bands (ev): -54.4611 -54.4611 -54.4611 -54.4611 -28.8283 -28.8283 -28.8202 -28.8202 -21.4102 -21.4102 -21.2060 -21.2060 -21.1566 -21.1566 -20.9722 -20.9722 -7.4932 -7.4932 -7.4626 -7.4626 -5.8127 -5.8127 -5.6955 -5.6955 2.0525 2.0525 2.0898 2.0898 3.0895 3.0895 3.1951 3.1951 3.6479 3.6479 3.6809 3.6809 3.8027 3.8027 3.9331 3.9331 4.8476 4.8476 4.9364 4.9364 5.1322 5.1322 5.1441 5.1441 9.9213 9.9213 10.0491 10.0491 10.7230 10.7230 10.7923 10.7923 11.9693 11.9693 k = 0.2444 0.4325-0.0000 ( 5120 PWs) bands (ev): -54.4613 -54.4613 -54.4613 -54.4613 -28.8273 -28.8273 -28.8193 -28.8193 -21.4076 -21.4076 -21.2017 -21.2017 -21.1562 -21.1562 -20.9702 -20.9702 -7.5062 -7.5062 -7.4755 -7.4755 -5.8242 -5.8242 -5.7068 -5.7068 2.0879 2.0879 2.1252 2.1252 3.0590 3.0590 3.1610 3.1610 3.6296 3.6296 3.6668 3.6668 3.8583 3.8583 3.9953 3.9953 4.8334 4.8334 4.9218 4.9218 5.1238 5.1238 5.1420 5.1420 9.9260 9.9260 10.0550 10.0550 10.7296 10.7296 10.7982 10.7982 11.9464 11.9464 k = 0.2333 0.4325-0.0000 ( 5112 PWs) bands (ev): -54.4614 -54.4614 -54.4614 -54.4614 -28.8264 -28.8264 -28.8184 -28.8184 -21.4047 -21.4047 -21.2003 -21.2003 -21.1529 -21.1529 -20.9683 -20.9683 -7.5193 -7.5193 -7.4887 -7.4887 -5.8351 -5.8351 -5.7182 -5.7182 2.1229 2.1229 2.1599 2.1599 3.0291 3.0291 3.1281 3.1281 3.6120 3.6120 3.6499 3.6499 3.9188 3.9188 4.0602 4.0602 4.8193 4.8193 4.9073 4.9073 5.1133 5.1133 5.1380 5.1380 9.9322 9.9322 10.0614 10.0614 10.7372 10.7372 10.8062 10.8062 11.9226 11.9226 k = 0.2222 0.4325-0.0000 ( 5116 PWs) bands (ev): -54.4616 -54.4616 -54.4616 -54.4616 -28.8254 -28.8254 -28.8175 -28.8175 -21.4017 -21.4017 -21.2015 -21.2015 -21.1472 -21.1472 -20.9667 -20.9667 -7.5323 -7.5323 -7.5020 -7.5020 -5.8454 -5.8454 -5.7296 -5.7296 2.1574 2.1574 2.1937 2.1937 3.0002 3.0002 3.0968 3.0968 3.5953 3.5953 3.6327 3.6327 3.9805 3.9805 4.1260 4.1260 4.8061 4.8061 4.8932 4.8932 5.1007 5.1007 5.1325 5.1325 9.9395 9.9395 10.0678 10.0678 10.7458 10.7458 10.8165 10.8165 11.8980 11.8980 k = 0.2111 0.4325-0.0000 ( 5128 PWs) bands (ev): -54.4618 -54.4618 -54.4618 -54.4618 -28.8245 -28.8245 -28.8167 -28.8167 -21.3984 -21.3984 -21.2046 -21.2046 -21.1398 -21.1398 -20.9653 -20.9653 -7.5452 -7.5452 -7.5154 -7.5154 -5.8551 -5.8551 -5.7410 -5.7410 2.1912 2.1912 2.2264 2.2264 2.9730 2.9730 3.0676 3.0676 3.5798 3.5798 3.6160 3.6160 4.0416 4.0416 4.1910 4.1910 4.7952 4.7952 4.8802 4.8802 5.0863 5.0863 5.1261 5.1261 9.9473 9.9473 10.0736 10.0736 10.7556 10.7556 10.8291 10.8291 11.8726 11.8726 k = 0.2000 0.4325-0.0000 ( 5136 PWs) bands (ev): -54.4619 -54.4619 -54.4619 -54.4619 -28.8236 -28.8236 -28.8159 -28.8159 -21.3950 -21.3950 -21.2087 -21.2087 -21.1314 -21.1314 -20.9641 -20.9641 -7.5579 -7.5579 -7.5288 -7.5288 -5.8641 -5.8641 -5.7523 -5.7523 2.2240 2.2240 2.2576 2.2576 2.9478 2.9478 3.0408 3.0408 3.5653 3.5653 3.6000 3.6000 4.1002 4.1002 4.2530 4.2530 4.7881 4.7881 4.8689 4.8689 5.0704 5.0704 5.1194 5.1194 9.9549 9.9549 10.0780 10.0780 10.7670 10.7670 10.8444 10.8444 11.8466 11.8466 k = 0.1889 0.4325-0.0000 ( 5132 PWs) bands (ev): -54.4621 -54.4621 -54.4621 -54.4621 -28.8226 -28.8226 -28.8152 -28.8152 -21.3913 -21.3913 -21.2134 -21.2134 -21.1225 -21.1225 -20.9631 -20.9631 -7.5704 -7.5704 -7.5420 -7.5420 -5.8725 -5.8725 -5.7634 -5.7634 2.2555 2.2555 2.2872 2.2872 2.9251 2.9251 3.0168 3.0168 3.5520 3.5520 3.5849 3.5849 4.1546 4.1546 4.3090 4.3090 4.7872 4.7872 4.8597 4.8597 5.0535 5.0535 5.1135 5.1135 9.9616 9.9616 10.0804 10.0804 10.7802 10.7802 10.8627 10.8627 11.8201 11.8201 k = 0.1778 0.4325-0.0000 ( 5126 PWs) bands (ev): -54.4622 -54.4622 -54.4622 -54.4622 -28.8217 -28.8217 -28.8144 -28.8144 -21.3874 -21.3874 -21.2184 -21.2184 -21.1134 -21.1134 -20.9624 -20.9624 -7.5826 -7.5826 -7.5551 -7.5551 -5.8801 -5.8801 -5.7744 -5.7744 2.2853 2.2853 2.3147 2.3147 2.9055 2.9055 2.9961 2.9961 3.5397 3.5397 3.5707 3.5707 4.2030 4.2030 4.3554 4.3554 4.7951 4.7951 4.8529 4.8529 5.0363 5.0363 5.1099 5.1099 9.9666 9.9666 10.0800 10.0800 10.7956 10.7956 10.8842 10.8842 11.7934 11.7934 k = 0.1667 0.4325-0.0000 ( 5126 PWs) bands (ev): -54.4624 -54.4624 -54.4624 -54.4624 -28.8207 -28.8207 -28.8137 -28.8137 -21.3834 -21.3834 -21.2237 -21.2237 -21.1042 -21.1042 -20.9619 -20.9619 -7.5944 -7.5944 -7.5680 -7.5680 -5.8870 -5.8870 -5.7851 -5.7851 2.3130 2.3130 2.3398 2.3398 2.8894 2.8894 2.9789 2.9789 3.5285 3.5285 3.5574 3.5574 4.2436 4.2436 4.3887 4.3887 4.8138 4.8138 4.8485 4.8485 5.0201 5.0201 5.1104 5.1104 9.9691 9.9691 10.0762 10.0762 10.8134 10.8134 10.9090 10.9090 11.7669 11.7669 k = 0.1556 0.4325-0.0000 ( 5130 PWs) bands (ev): -54.4625 -54.4625 -54.4625 -54.4625 -28.8198 -28.8198 -28.8131 -28.8131 -21.3792 -21.3792 -21.2292 -21.2292 -21.0951 -21.0951 -20.9617 -20.9617 -7.6057 -7.6057 -7.5805 -7.5805 -5.8932 -5.8932 -5.7957 -5.7957 2.3381 2.3381 2.3621 2.3621 2.8772 2.8772 2.9657 2.9657 3.5183 3.5183 3.5449 3.5449 4.2751 4.2751 4.4077 4.4077 4.8417 4.8417 4.8455 4.8455 5.0076 5.0076 5.1169 5.1169 9.9686 9.9686 10.0685 10.0685 10.8342 10.8342 10.9374 10.9374 11.7408 11.7408 k = 0.1444 0.4325-0.0000 ( 5134 PWs) bands (ev): -54.4627 -54.4627 -54.4627 -54.4627 -28.8189 -28.8189 -28.8126 -28.8126 -21.3749 -21.3749 -21.2348 -21.2348 -21.0861 -21.0861 -20.9618 -20.9618 -7.6166 -7.6166 -7.5926 -7.5926 -5.8986 -5.8986 -5.8060 -5.8060 2.3602 2.3602 2.3812 2.3812 2.8695 2.8695 2.9567 2.9567 3.5090 3.5090 3.5333 3.5333 4.2969 4.2969 4.4135 4.4135 4.8427 4.8427 4.8706 4.8706 5.0058 5.0058 5.1313 5.1313 9.9645 9.9645 10.0568 10.0568 10.8579 10.8579 10.9691 10.9691 11.7155 11.7155 k = 0.1333 0.4325-0.0000 ( 5134 PWs) bands (ev): -54.4628 -54.4628 -54.4628 -54.4628 -28.8180 -28.8180 -28.8121 -28.8121 -21.3704 -21.3704 -21.2404 -21.2404 -21.0772 -21.0772 -20.9622 -20.9622 -7.6268 -7.6268 -7.6043 -7.6043 -5.9033 -5.9033 -5.8160 -5.8160 2.3789 2.3789 2.3970 2.3970 2.8665 2.8665 2.9520 2.9520 3.5007 3.5007 3.5226 3.5226 4.3092 4.3092 4.4091 4.4091 4.8388 4.8388 4.8859 4.8859 5.0262 5.0262 5.1546 5.1546 9.9567 9.9567 10.0410 10.0410 10.8846 10.8846 11.0039 11.0039 11.6915 11.6915 k = 0.1222 0.4325-0.0000 ( 5122 PWs) bands (ev): -54.4629 -54.4629 -54.4629 -54.4629 -28.8172 -28.8172 -28.8116 -28.8116 -21.3657 -21.3657 -21.2461 -21.2461 -21.0685 -21.0685 -20.9629 -20.9629 -7.6364 -7.6364 -7.6154 -7.6154 -5.9072 -5.9072 -5.8256 -5.8256 2.3939 2.3939 2.4093 2.4093 2.8684 2.8684 2.9514 2.9514 3.4933 3.4933 3.5128 3.5128 4.3132 4.3132 4.3976 4.3976 4.8329 4.8329 4.8832 4.8832 5.0699 5.0699 5.1863 5.1863 9.9453 9.9453 10.0214 10.0214 10.9142 10.9142 11.0411 11.0411 11.6691 11.6691 k = 0.1111 0.4325-0.0000 ( 5106 PWs) bands (ev): -54.4630 -54.4630 -54.4630 -54.4630 -28.8163 -28.8163 -28.8111 -28.8111 -21.3609 -21.3609 -21.2518 -21.2518 -21.0600 -21.0600 -20.9638 -20.9638 -7.6452 -7.6452 -7.6259 -7.6259 -5.9104 -5.9104 -5.8349 -5.8349 2.4053 2.4053 2.4184 2.4184 2.8748 2.8748 2.9547 2.9547 3.4868 3.4868 3.5038 3.5038 4.3104 4.3104 4.3812 4.3812 4.8252 4.8252 4.8713 4.8713 5.1255 5.1255 5.2247 5.2247 9.9305 9.9305 9.9985 9.9985 10.9463 10.9463 11.0799 11.0799 11.6490 11.6490 k = 0.1000 0.4325-0.0000 ( 5100 PWs) bands (ev): -54.4631 -54.4631 -54.4631 -54.4631 -28.8155 -28.8155 -28.8107 -28.8107 -21.3561 -21.3561 -21.2575 -21.2575 -21.0519 -21.0519 -20.9651 -20.9651 -7.6533 -7.6533 -7.6357 -7.6357 -5.9128 -5.9128 -5.8438 -5.8438 2.4133 2.4133 2.4244 2.4244 2.8854 2.8854 2.9611 2.9611 3.4811 3.4811 3.4956 3.4956 4.3026 4.3026 4.3620 4.3620 4.8161 4.8161 4.8562 4.8562 5.1851 5.1851 5.2673 5.2673 9.9130 9.9130 9.9731 9.9731 10.9802 10.9802 11.1193 11.1193 11.6315 11.6315 k = 0.0889 0.4325-0.0000 ( 5098 PWs) bands (ev): -54.4632 -54.4632 -54.4632 -54.4632 -28.8147 -28.8147 -28.8105 -28.8105 -21.3511 -21.3511 -21.2633 -21.2633 -21.0440 -21.0440 -20.9668 -20.9668 -7.6606 -7.6606 -7.6447 -7.6447 -5.9145 -5.9145 -5.8524 -5.8524 2.4185 2.4185 2.4280 2.4280 2.8993 2.8993 2.9698 2.9698 3.4762 3.4762 3.4883 3.4883 4.2913 4.2913 4.3411 4.3411 4.8065 4.8065 4.8405 4.8405 5.2444 5.2444 5.3118 5.3118 9.8937 9.8937 9.9461 9.9461 11.0154 11.0154 11.1577 11.1577 11.6175 11.6175 k = 0.0778 0.4325-0.0000 ( 5094 PWs) bands (ev): -54.4633 -54.4633 -54.4633 -54.4633 -28.8140 -28.8140 -28.8102 -28.8102 -21.3461 -21.3461 -21.2690 -21.2690 -21.0364 -21.0364 -20.9688 -20.9688 -7.6670 -7.6670 -7.6530 -7.6530 -5.9155 -5.9155 -5.8604 -5.8604 2.4215 2.4215 2.4295 2.4295 2.9155 2.9155 2.9801 2.9801 3.4720 3.4720 3.4819 3.4819 4.2780 4.2780 4.3196 4.3196 4.7970 4.7970 4.8253 4.8253 5.3012 5.3012 5.3558 5.3558 9.8734 9.8734 9.9184 9.9184 11.0510 11.0510 11.1935 11.1935 11.6078 11.6078 k = 0.0667 0.4325-0.0000 ( 5092 PWs) bands (ev): -54.4634 -54.4634 -54.4634 -54.4634 -28.8134 -28.8134 -28.8101 -28.8101 -21.3409 -21.3409 -21.2747 -21.2747 -21.0292 -21.0292 -20.9712 -20.9712 -7.6725 -7.6725 -7.6604 -7.6604 -5.9157 -5.9157 -5.8681 -5.8681 2.4228 2.4228 2.4295 2.4295 2.9332 2.9332 2.9907 2.9907 3.4685 3.4685 3.4763 3.4763 4.2639 4.2639 4.2985 4.2985 4.7881 4.7881 4.8114 4.8114 5.3537 5.3537 5.3975 5.3975 9.8532 9.8532 9.8912 9.8912 11.0862 11.0862 11.2245 11.2245 11.6033 11.6033 k = 0.0556 0.4325-0.0000 ( 5094 PWs) bands (ev): -54.4634 -54.4634 -54.4634 -54.4634 -28.8128 -28.8128 -28.8100 -28.8100 -21.3357 -21.3357 -21.2805 -21.2805 -21.0223 -21.0223 -20.9739 -20.9739 -7.6771 -7.6771 -7.6669 -7.6669 -5.9153 -5.9153 -5.8752 -5.8752 2.4230 2.4230 2.4287 2.4287 2.9511 2.9511 3.0008 3.0008 3.4656 3.4656 3.4716 3.4716 4.2503 4.2503 4.2786 4.2786 4.7802 4.7802 4.7990 4.7990 5.4007 5.4007 5.4352 5.4352 9.8343 9.8343 9.8655 9.8655 11.1204 11.1204 11.2489 11.2489 11.6049 11.6049 k = 0.0444 0.4325-0.0000 ( 5098 PWs) bands (ev): -54.4635 -54.4635 -54.4635 -54.4635 -28.8122 -28.8122 -28.8100 -28.8100 -21.3305 -21.3305 -21.2862 -21.2862 -21.0158 -21.0158 -20.9771 -20.9771 -7.6806 -7.6806 -7.6724 -7.6724 -5.9141 -5.9141 -5.8819 -5.8819 2.4227 2.4227 2.4272 2.4272 2.9684 2.9684 3.0093 3.0093 3.4634 3.4634 3.4677 3.4677 4.2382 4.2382 4.2605 4.2605 4.7737 4.7737 4.7883 4.7883 5.4411 5.4411 5.4675 5.4675 9.8176 9.8176 9.8423 9.8423 11.1526 11.1526 11.2651 11.2651 11.6130 11.6130 k = 0.0333 0.4325-0.0000 ( 5098 PWs) bands (ev): -54.4635 -54.4635 -54.4635 -54.4635 -28.8117 -28.8117 -28.8101 -28.8101 -21.3251 -21.3251 -21.2919 -21.2919 -21.0096 -21.0096 -20.9806 -20.9806 -7.6832 -7.6832 -7.6770 -7.6770 -5.9123 -5.9123 -5.8880 -5.8880 2.4222 2.4222 2.4256 2.4256 2.9841 2.9841 3.0156 3.0156 3.4617 3.4617 3.4647 3.4647 4.2283 4.2283 4.2450 4.2450 4.7688 4.7688 4.7795 4.7795 5.4741 5.4741 5.4932 5.4932 9.8042 9.8042 9.8225 9.8225 11.1823 11.1823 11.2726 11.2726 11.6268 11.6268 k = 0.0222 0.4325-0.0000 ( 5102 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8113 -28.8113 -28.8102 -28.8102 -21.3197 -21.3197 -21.2975 -21.2975 -21.0038 -21.0038 -20.9845 -20.9845 -7.6848 -7.6848 -7.6806 -7.6806 -5.9098 -5.9098 -5.8935 -5.8935 2.4219 2.4219 2.4241 2.4241 2.9976 2.9976 3.0190 3.0190 3.4607 3.4607 3.4625 3.4625 4.2216 4.2216 4.2326 4.2326 4.7657 4.7657 4.7727 4.7727 5.4989 5.4989 5.5114 5.5114 9.7948 9.7948 9.8070 9.8070 11.2089 11.2089 11.2719 11.2719 11.6447 11.6447 k = 0.0111 0.4325-0.0000 ( 5102 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8110 -28.8110 -28.8104 -28.8104 -21.3142 -21.3142 -21.3031 -21.3031 -20.9984 -20.9984 -20.9887 -20.9887 -7.6853 -7.6853 -7.6832 -7.6832 -5.9067 -5.9067 -5.8985 -5.8985 2.4218 2.4218 2.4229 2.4229 3.0081 3.0081 3.0189 3.0189 3.4602 3.4602 3.4610 3.4610 4.2184 4.2184 4.2239 4.2239 4.7645 4.7645 4.7679 4.7679 5.5153 5.5153 5.5214 5.5214 9.7902 9.7902 9.7962 9.7962 11.2318 11.2318 11.2642 11.2642 11.6649 11.6649 k = 0.0000 0.4325-0.0000 ( 5106 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8107 -28.8107 -28.8107 -28.8107 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6848 -7.6848 -7.6848 -7.6848 -5.9029 -5.9029 -5.9029 -5.9029 2.4221 2.4221 2.4221 2.4221 3.0153 3.0153 3.0153 3.0153 3.4603 3.4603 3.4603 3.4603 4.2191 4.2191 4.2191 4.2191 4.7652 4.7652 4.7652 4.7652 5.5227 5.5227 5.5227 5.5227 9.7906 9.7906 9.7906 9.7906 11.2505 11.2505 11.2505 11.2505 11.6854 11.6854 k = 0.0000 0.4325-0.0000 ( 5106 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8107 -28.8107 -28.8107 -28.8107 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6848 -7.6848 -7.6848 -7.6848 -5.9029 -5.9029 -5.9029 -5.9029 2.4221 2.4221 2.4221 2.4221 3.0153 3.0153 3.0153 3.0153 3.4603 3.4603 3.4603 3.4603 4.2191 4.2191 4.2191 4.2191 4.7652 4.7652 4.7652 4.7652 5.5227 5.5227 5.5227 5.5227 9.7906 9.7906 9.7906 9.7906 11.2505 11.2505 11.2505 11.2505 11.6854 11.6854 k = 0.0000 0.4214-0.0000 ( 5102 PWs) bands (ev): -54.4643 -54.4643 -54.4628 -54.4628 -28.8134 -28.8134 -28.8079 -28.8079 -21.3116 -21.3116 -21.3057 -21.3057 -20.9955 -20.9955 -20.9912 -20.9912 -7.6927 -7.6927 -7.6773 -7.6773 -5.9261 -5.9261 -5.8822 -5.8822 2.3661 2.3661 2.4748 2.4748 2.9997 2.9997 3.0400 3.0400 3.4412 3.4412 3.4808 3.4808 4.2116 4.2116 4.2269 4.2269 4.7586 4.7586 4.7742 4.7742 5.5134 5.5134 5.5323 5.5323 9.7800 9.7800 9.8030 9.8030 11.2178 11.2178 11.2807 11.2807 11.6572 11.6572 k = 0.0000 0.4103-0.0000 ( 5098 PWs) bands (ev): -54.4651 -54.4651 -54.4621 -54.4621 -28.8160 -28.8160 -28.8051 -28.8051 -21.3143 -21.3143 -21.3026 -21.3026 -20.9975 -20.9975 -20.9889 -20.9889 -7.7010 -7.7010 -7.6703 -7.6703 -5.9518 -5.9518 -5.8642 -5.8642 2.3088 2.3088 2.5223 2.5223 2.9916 2.9916 3.0752 3.0752 3.4237 3.4237 3.5029 3.5029 4.2046 4.2046 4.2348 4.2348 4.7545 4.7545 4.7854 4.7854 5.5044 5.5044 5.5420 5.5420 9.7715 9.7715 9.8171 9.8171 11.1835 11.1835 11.3073 11.3073 11.6270 11.6270 k = 0.0000 0.3992-0.0000 ( 5090 PWs) bands (ev): -54.4658 -54.4658 -54.4614 -54.4614 -28.8187 -28.8187 -28.8022 -28.8022 -21.3169 -21.3169 -21.2993 -21.2993 -20.9995 -20.9995 -20.9866 -20.9866 -7.7097 -7.7097 -7.6637 -7.6637 -5.9797 -5.9797 -5.8489 -5.8489 2.2517 2.2517 2.5631 2.5631 2.9893 2.9893 3.1218 3.1218 3.4078 3.4078 3.5263 3.5263 4.1982 4.1982 4.2428 4.2428 4.7532 4.7532 4.7985 4.7985 5.4955 5.4955 5.5520 5.5520 9.7651 9.7651 9.8327 9.8327 11.1479 11.1479 11.3286 11.3286 11.5962 11.5962 k = 0.0000 0.3882-0.0000 ( 5084 PWs) bands (ev): -54.4666 -54.4666 -54.4606 -54.4606 -28.8213 -28.8213 -28.7994 -28.7994 -21.3193 -21.3193 -21.2960 -21.2960 -21.0014 -21.0014 -20.9842 -20.9842 -7.7188 -7.7188 -7.6576 -7.6576 -6.0097 -6.0097 -5.8365 -5.8365 2.1963 2.1963 2.5969 2.5969 2.9917 2.9917 3.1796 3.1796 3.3938 3.3938 3.5511 3.5511 4.1928 4.1928 4.2508 4.2508 4.7548 4.7548 4.8134 4.8134 5.4868 5.4868 5.5623 5.5623 9.7611 9.7611 9.8497 9.8497 11.1118 11.1118 11.3417 11.3417 11.5669 11.5669 k = 0.0000 0.3771-0.0000 ( 5070 PWs) bands (ev): -54.4673 -54.4673 -54.4599 -54.4599 -28.8238 -28.8238 -28.7965 -28.7965 -21.3216 -21.3216 -21.2925 -21.2925 -21.0032 -21.0032 -20.9818 -20.9818 -7.7284 -7.7284 -7.6518 -7.6518 -6.0417 -6.0417 -5.8269 -5.8269 2.1434 2.1434 2.6241 2.6241 2.9977 2.9977 3.2467 3.2467 3.3822 3.3822 3.5772 3.5772 4.1886 4.1886 4.2587 4.2587 4.7595 4.7595 4.8300 4.8300 5.4784 5.4784 5.5728 5.5728 9.7593 9.7593 9.8678 9.8678 11.0753 11.0753 11.3422 11.3422 11.5432 11.5432 k = 0.0000 0.3660-0.0000 ( 5076 PWs) bands (ev): -54.4680 -54.4680 -54.4592 -54.4592 -28.8263 -28.8263 -28.7937 -28.7937 -21.3237 -21.3237 -21.2890 -21.2890 -21.0050 -21.0050 -20.9793 -20.9793 -7.7383 -7.7383 -7.6465 -7.6465 -6.0753 -6.0753 -5.8201 -5.8201 2.0940 2.0940 2.6459 2.6459 3.0064 3.0064 3.3173 3.3173 3.3770 3.3770 3.6045 3.6045 4.1863 4.1863 4.2667 4.2667 4.7675 4.7675 4.8481 4.8481 5.4702 5.4702 5.5837 5.5837 9.7600 9.7600 9.8868 9.8868 11.0389 11.0389 11.3259 11.3259 11.5287 11.5287 k = 0.0000 0.3549-0.0000 ( 5088 PWs) bands (ev): -54.4688 -54.4688 -54.4585 -54.4585 -28.8288 -28.8288 -28.7909 -28.7909 -21.3257 -21.3257 -21.2855 -21.2855 -21.0067 -21.0067 -20.9769 -20.9769 -7.7486 -7.7486 -7.6416 -7.6416 -6.1106 -6.1106 -5.8162 -5.8162 2.0483 2.0483 2.6636 2.6636 3.0172 3.0172 3.3495 3.3495 3.4176 3.4176 3.6331 3.6331 4.1865 4.1865 4.2748 4.2748 4.7788 4.7788 4.8676 4.8676 5.4623 5.4623 5.5949 5.5949 9.7631 9.7631 9.9065 9.9065 11.0028 11.0028 11.2924 11.2924 11.5235 11.5235 k = 0.0000 0.3438-0.0000 ( 5092 PWs) bands (ev): -54.4695 -54.4695 -54.4578 -54.4578 -28.8312 -28.8312 -28.7880 -28.7880 -21.3276 -21.3276 -21.2819 -21.2819 -21.0083 -21.0083 -20.9743 -20.9743 -7.7593 -7.7593 -7.6371 -7.6371 -6.1471 -6.1471 -5.8151 -5.8151 2.0068 2.0068 2.6782 2.6782 3.0293 3.0293 3.3467 3.3467 3.4978 3.4978 3.6628 3.6628 4.1899 4.1899 4.2831 4.2831 4.7936 4.7936 4.8886 4.8886 5.4546 5.4546 5.6064 5.6064 9.7687 9.7687 9.9267 9.9267 10.9674 10.9674 11.2455 11.2455 11.5236 11.5236 k = 0.0000 0.3327-0.0000 ( 5096 PWs) bands (ev): -54.4702 -54.4702 -54.4571 -54.4571 -28.8336 -28.8336 -28.7852 -28.7852 -21.3293 -21.3293 -21.2783 -21.2783 -21.0098 -21.0098 -20.9717 -20.9717 -7.7703 -7.7703 -7.6330 -7.6330 -6.1848 -6.1848 -5.8167 -5.8167 1.9698 1.9698 2.6909 2.6909 3.0422 3.0422 3.3422 3.3422 3.5815 3.5815 3.6939 3.6939 4.1978 4.1978 4.2918 4.2918 4.8118 4.8118 4.9112 4.9112 5.4472 5.4472 5.6184 5.6184 9.7766 9.7766 9.9472 9.9472 10.9328 10.9328 11.1891 11.1891 11.5250 11.5250 k = 0.0000 0.3216-0.0000 ( 5096 PWs) bands (ev): -54.4709 -54.4709 -54.4564 -54.4564 -28.8359 -28.8359 -28.7824 -28.7824 -21.3308 -21.3308 -21.2746 -21.2746 -21.0113 -21.0113 -20.9691 -20.9691 -7.7816 -7.7816 -7.6292 -7.6292 -6.2233 -6.2233 -5.8209 -5.8209 1.9373 1.9373 2.7021 2.7021 3.0554 3.0554 3.3390 3.3390 3.6622 3.6622 3.7266 3.7266 4.2115 4.2115 4.3010 4.3010 4.8334 4.8334 4.9359 4.9359 5.4402 5.4402 5.6309 5.6309 9.7867 9.7867 9.9677 9.9677 10.8993 10.8993 11.1258 11.1258 11.5254 11.5254 k = 0.0000 0.3105-0.0000 ( 5086 PWs) bands (ev): -54.4716 -54.4716 -54.4558 -54.4558 -28.8381 -28.8381 -28.7795 -28.7795 -21.3321 -21.3321 -21.2709 -21.2709 -21.0126 -21.0126 -20.9664 -20.9664 -7.7933 -7.7933 -7.6259 -7.6259 -6.2626 -6.2626 -5.8276 -5.8276 1.9093 1.9093 2.7123 2.7123 3.0682 3.0682 3.3377 3.3377 3.7329 3.7329 3.7638 3.7638 4.2325 4.2325 4.3115 4.3115 4.8578 4.8578 4.9635 4.9635 5.4337 5.4337 5.6439 5.6439 9.7988 9.7988 9.9881 9.9881 10.8666 10.8666 11.0576 11.0576 11.5238 11.5238 k = 0.0000 0.2994-0.0000 ( 5086 PWs) bands (ev): -54.4723 -54.4723 -54.4551 -54.4551 -28.8403 -28.8403 -28.7767 -28.7767 -21.3334 -21.3334 -21.2672 -21.2672 -21.0139 -21.0139 -20.9637 -20.9637 -7.8052 -7.8052 -7.6229 -7.6229 -6.3023 -6.3023 -5.8367 -5.8367 1.8859 1.8859 2.7219 2.7219 3.0802 3.0802 3.3383 3.3383 3.7812 3.7812 3.8147 3.8147 4.2613 4.2613 4.3242 4.3242 4.8844 4.8844 4.9951 4.9951 5.4277 5.4277 5.6575 5.6575 9.8127 9.8127 10.0080 10.0080 10.8343 10.8343 10.9861 10.9861 11.5197 11.5197 k = 0.0000 0.2883-0.0000 ( 5096 PWs) bands (ev): -54.4730 -54.4730 -54.4545 -54.4545 -28.8424 -28.8424 -28.7739 -28.7739 -21.3345 -21.3345 -21.2637 -21.2637 -21.0152 -21.0152 -20.9610 -20.9610 -7.8174 -7.8174 -7.6202 -7.6202 -6.3422 -6.3422 -5.8480 -5.8480 1.8671 1.8671 2.7309 2.7309 3.0910 3.0910 3.3410 3.3410 3.8174 3.8174 3.8670 3.8670 4.2944 4.2944 4.3434 4.3434 4.9118 4.9118 5.0326 5.0326 5.4224 5.4224 5.6717 5.6717 9.8281 9.8281 10.0274 10.0274 10.8001 10.8001 10.9148 10.9148 11.5134 11.5134 k = 0.0000 0.2773-0.0000 ( 5090 PWs) bands (ev): -54.4736 -54.4736 -54.4539 -54.4539 -28.8444 -28.8444 -28.7712 -28.7712 -21.3354 -21.3354 -21.2600 -21.2600 -21.0163 -21.0163 -20.9582 -20.9582 -7.8298 -7.8298 -7.6178 -7.6178 -6.3822 -6.3822 -5.8612 -5.8612 1.8526 1.8526 2.7395 2.7395 3.1005 3.1005 3.3455 3.3455 3.8514 3.8514 3.9105 3.9105 4.3214 4.3214 4.3778 4.3778 4.9386 4.9386 5.0777 5.0777 5.4183 5.4183 5.6867 5.6867 9.8445 9.8445 10.0460 10.0460 10.7568 10.7568 10.8515 10.8515 11.5055 11.5055 k = 0.0000 0.2662-0.0000 ( 5096 PWs) bands (ev): -54.4743 -54.4743 -54.4533 -54.4533 -28.8464 -28.8464 -28.7686 -28.7686 -21.3363 -21.3363 -21.2565 -21.2565 -21.0174 -21.0174 -20.9554 -20.9554 -7.8424 -7.8424 -7.6158 -7.6158 -6.4220 -6.4220 -5.8763 -5.8763 1.8423 1.8423 2.7478 2.7478 3.1084 3.1084 3.3515 3.3515 3.8846 3.8846 3.9457 3.9457 4.3400 4.3400 4.4268 4.4268 4.9639 4.9639 5.1309 5.1309 5.4160 5.4160 5.7025 5.7025 9.8616 9.8616 10.0636 10.0636 10.6942 10.6942 10.8074 10.8074 11.4968 11.4968 k = 0.0000 0.2551-0.0000 ( 5102 PWs) bands (ev): -54.4749 -54.4749 -54.4527 -54.4527 -28.8483 -28.8483 -28.7660 -28.7660 -21.3370 -21.3370 -21.2530 -21.2530 -21.0184 -21.0184 -20.9526 -20.9526 -7.8551 -7.8551 -7.6140 -7.6140 -6.4614 -6.4614 -5.8931 -5.8931 1.8362 1.8362 2.7556 2.7556 3.1147 3.1147 3.3588 3.3588 3.9167 3.9167 3.9754 3.9754 4.3559 4.3559 4.4809 4.4809 4.9873 4.9873 5.1909 5.1909 5.4172 5.4172 5.7193 5.7193 9.8787 9.8787 10.0801 10.0801 10.6151 10.6151 10.7803 10.7803 11.4882 11.4882 k = 0.0000 0.2440-0.0000 ( 5106 PWs) bands (ev): -54.4755 -54.4755 -54.4521 -54.4521 -28.8501 -28.8501 -28.7634 -28.7634 -21.3376 -21.3376 -21.2496 -21.2496 -21.0194 -21.0194 -20.9498 -20.9498 -7.8680 -7.8680 -7.6125 -7.6125 -6.5004 -6.5004 -5.9112 -5.9112 1.8339 1.8339 2.7629 2.7629 3.1196 3.1196 3.3667 3.3667 3.9473 3.9473 4.0025 4.0025 4.3719 4.3719 4.5349 4.5349 5.0090 5.0090 5.2525 5.2525 5.4264 5.4264 5.7372 5.7372 9.8953 9.8953 10.0954 10.0954 10.5281 10.5281 10.7625 10.7625 11.4809 11.4809 k = 0.0000 0.2329-0.0000 ( 5112 PWs) bands (ev): -54.4761 -54.4761 -54.4516 -54.4516 -28.8519 -28.8519 -28.7610 -28.7610 -21.3381 -21.3381 -21.2463 -21.2463 -21.0203 -21.0203 -20.9470 -20.9470 -7.8810 -7.8810 -7.6112 -7.6112 -6.5386 -6.5386 -5.9304 -5.9304 1.8352 1.8352 2.7699 2.7699 3.1231 3.1231 3.3749 3.3749 3.9755 3.9755 4.0295 4.0295 4.3887 4.3887 4.5862 4.5862 5.0291 5.0291 5.3033 5.3033 5.4546 5.4546 5.7565 5.7565 9.9107 9.9107 10.1095 10.1095 10.4370 10.4370 10.7507 10.7507 11.4759 11.4759 k = 0.0000 0.2218-0.0000 ( 5106 PWs) bands (ev): -54.4767 -54.4767 -54.4510 -54.4510 -28.8535 -28.8535 -28.7585 -28.7585 -21.3385 -21.3385 -21.2430 -21.2430 -21.0211 -21.0211 -20.9441 -20.9441 -7.8939 -7.8939 -7.6102 -7.6102 -6.5758 -6.5758 -5.9506 -5.9506 1.8400 1.8400 2.7762 2.7762 3.1254 3.1254 3.3827 3.3827 4.0011 4.0011 4.0576 4.0576 4.4067 4.4067 4.6340 4.6340 5.0479 5.0479 5.3309 5.3309 5.5118 5.5118 5.7776 5.7776 9.9244 9.9244 10.1224 10.1224 10.3436 10.3436 10.7441 10.7441 11.4743 11.4743 k = 0.0000 0.2107-0.0000 ( 5105 PWs) bands (ev): -54.4772 -54.4772 -54.4505 -54.4505 -28.8550 -28.8550 -28.7562 -28.7562 -21.3388 -21.3388 -21.2397 -21.2397 -21.0219 -21.0219 -20.9413 -20.9413 -7.9069 -7.9069 -7.6094 -7.6094 -6.6121 -6.6121 -5.9716 -5.9716 1.8479 1.8479 2.7821 2.7821 3.1268 3.1268 3.3900 3.3900 4.0246 4.0246 4.0872 4.0872 4.4260 4.4260 4.6779 4.6779 5.0655 5.0655 5.3412 5.3412 5.5894 5.5894 5.8015 5.8015 9.9357 9.9357 10.1340 10.1340 10.2488 10.2488 10.7422 10.7422 11.4771 11.4771 k = 0.0000 0.1996-0.0000 ( 5101 PWs) bands (ev): -54.4777 -54.4777 -54.4501 -54.4501 -28.8565 -28.8565 -28.7540 -28.7540 -21.3390 -21.3390 -21.2366 -21.2366 -21.0227 -21.0227 -20.9386 -20.9386 -7.9198 -7.9198 -7.6087 -7.6087 -6.6471 -6.6471 -5.9930 -5.9930 1.8587 1.8587 2.7873 2.7873 3.1272 3.1272 3.3962 3.3962 4.0469 4.0469 4.1176 4.1176 4.4467 4.4467 4.7181 4.7181 5.0822 5.0822 5.3440 5.3440 5.6732 5.6732 5.8307 5.8307 9.9440 9.9440 10.1430 10.1430 10.1552 10.1552 10.7448 10.7448 11.4849 11.4849 k = 0.0000 0.1885-0.0000 ( 5099 PWs) bands (ev): -54.4783 -54.4783 -54.4496 -54.4496 -28.8578 -28.8578 -28.7518 -28.7518 -21.3392 -21.3392 -21.2336 -21.2336 -21.0234 -21.0234 -20.9358 -20.9358 -7.9325 -7.9325 -7.6083 -7.6083 -6.6808 -6.6808 -6.0146 -6.0146 1.8721 1.8721 2.7920 2.7920 3.1269 3.1269 3.4013 3.4013 4.0687 4.0687 4.1480 4.1480 4.4686 4.4686 4.7550 4.7550 5.0979 5.0979 5.3438 5.3438 5.7507 5.7507 5.8714 5.8714 9.9481 9.9481 10.0583 10.0583 10.1552 10.1552 10.7519 10.7519 11.4983 11.4983 k = 0.0000 0.1774-0.0000 ( 5111 PWs) bands (ev): -54.4787 -54.4787 -54.4492 -54.4492 -28.8592 -28.8592 -28.7498 -28.7498 -21.3394 -21.3394 -21.2308 -21.2308 -21.0242 -21.0242 -20.9332 -20.9332 -7.9450 -7.9450 -7.6079 -7.6079 -6.7131 -6.7131 -6.0364 -6.0364 1.8878 1.8878 2.7960 2.7960 3.1257 3.1257 3.4050 3.4050 4.0907 4.0907 4.1781 4.1781 4.4917 4.4917 4.7888 4.7888 5.1127 5.1127 5.3423 5.3423 5.8085 5.8085 5.9337 5.9337 9.9388 9.9388 9.9742 9.9742 10.1646 10.1646 10.7635 10.7635 11.5174 11.5174 k = 0.0000 0.1664-0.0000 ( 5111 PWs) bands (ev): -54.4792 -54.4792 -54.4487 -54.4487 -28.8605 -28.8605 -28.7478 -28.7478 -21.3394 -21.3394 -21.2281 -21.2281 -21.0248 -21.0248 -20.9305 -20.9305 -7.9573 -7.9573 -7.6077 -7.6077 -6.7438 -6.7438 -6.0579 -6.0579 1.9055 1.9055 2.7994 2.7994 3.1239 3.1239 3.4074 3.4074 4.1129 4.1129 4.2072 4.2072 4.5159 4.5159 4.8198 4.8198 5.1268 5.1268 5.3403 5.3403 5.8480 5.8480 6.0140 6.0140 9.8623 9.8623 9.9548 9.9548 10.1737 10.1737 10.7795 10.7795 11.5422 11.5422 k = 0.0000 0.1553-0.0000 ( 5121 PWs) bands (ev): -54.4796 -54.4796 -54.4484 -54.4484 -28.8617 -28.8617 -28.7459 -28.7459 -21.3395 -21.3395 -21.2255 -21.2255 -21.0255 -21.0255 -20.9279 -20.9279 -7.9693 -7.9693 -7.6076 -7.6076 -6.7728 -6.7728 -6.0791 -6.0791 1.9248 1.9248 2.8022 2.8022 3.1214 3.1214 3.4086 3.4086 4.1354 4.1354 4.2352 4.2352 4.5407 4.5407 4.8482 4.8482 5.1401 5.1401 5.3381 5.3381 5.8795 5.8795 6.1004 6.1004 9.7710 9.7710 9.9482 9.9482 10.1826 10.1826 10.7999 10.7999 11.5723 11.5723 k = 0.0000 0.1442-0.0000 ( 5125 PWs) bands (ev): -54.4800 -54.4800 -54.4480 -54.4480 -28.8628 -28.8628 -28.7441 -28.7441 -21.3395 -21.3395 -21.2230 -21.2230 -21.0261 -21.0261 -20.9255 -20.9255 -7.9808 -7.9808 -7.6076 -7.6076 -6.8001 -6.8001 -6.0996 -6.0996 1.9455 1.9455 2.8045 2.8045 3.1182 3.1182 3.4085 3.4085 4.1583 4.1583 4.2617 4.2617 4.5661 4.5661 4.8740 4.8740 5.1526 5.1526 5.3359 5.3359 5.9082 5.9082 6.1864 6.1864 9.6809 9.6809 9.9397 9.9397 10.1913 10.1913 10.8244 10.8244 11.6068 11.6068 k = 0.0000 0.1331-0.0000 ( 5125 PWs) bands (ev): -54.4804 -54.4804 -54.4477 -54.4477 -28.8638 -28.8638 -28.7425 -28.7425 -21.3395 -21.3395 -21.2207 -21.2207 -21.0267 -21.0267 -20.9231 -20.9231 -7.9919 -7.9919 -7.6077 -7.6077 -6.8256 -6.8256 -6.1195 -6.1195 1.9671 1.9671 2.8063 2.8063 3.1144 3.1144 3.4075 3.4075 4.1812 4.1812 4.2865 4.2865 4.5916 4.5916 4.8974 4.8974 5.1644 5.1644 5.3338 5.3338 5.9359 5.9359 6.2691 6.2691 9.5933 9.5933 9.9289 9.9289 10.1997 10.1997 10.8531 10.8531 11.6447 11.6447 k = 0.0000 0.1220-0.0000 ( 5133 PWs) bands (ev): -54.4808 -54.4808 -54.4473 -54.4473 -28.8647 -28.8647 -28.7409 -28.7409 -21.3395 -21.3395 -21.2185 -21.2185 -21.0273 -21.0273 -20.9209 -20.9209 -8.0024 -8.0024 -7.6078 -7.6078 -6.8492 -6.8492 -6.1384 -6.1384 1.9893 1.9893 2.8076 2.8076 3.1099 3.1099 3.4056 3.4056 4.2041 4.2041 4.3095 4.3095 4.6170 4.6170 4.9184 4.9184 5.1754 5.1754 5.3318 5.3318 5.9630 5.9630 6.3470 6.3470 9.5089 9.5089 9.9163 9.9163 10.2077 10.2077 10.8854 10.8854 11.6530 11.6530 k = 0.0000 0.1109-0.0000 ( 5133 PWs) bands (ev): -54.4811 -54.4811 -54.4471 -54.4471 -28.8656 -28.8656 -28.7395 -28.7395 -21.3394 -21.3394 -21.2164 -21.2164 -21.0278 -21.0278 -20.9187 -20.9187 -8.0123 -8.0123 -7.6080 -7.6080 -6.8709 -6.8709 -6.1562 -6.1562 2.0118 2.0118 2.8084 2.8084 3.1048 3.1048 3.4032 3.4032 4.2266 4.2266 4.3305 4.3305 4.6419 4.6419 4.9371 4.9371 5.1858 5.1858 5.3300 5.3300 5.9897 5.9897 6.4192 6.4192 9.4286 9.4286 9.9024 9.9024 10.2150 10.2150 10.9211 10.9211 11.5924 11.5924 k = 0.0000 0.0998-0.0000 ( 5139 PWs) bands (ev): -54.4814 -54.4814 -54.4468 -54.4468 -28.8664 -28.8664 -28.7382 -28.7382 -21.3394 -21.3394 -21.2146 -21.2146 -21.0283 -21.0283 -20.9167 -20.9167 -8.0215 -8.0215 -7.6082 -7.6082 -6.8906 -6.8906 -6.1728 -6.1728 2.0340 2.0340 2.8089 2.8089 3.0993 3.0993 3.4003 3.4003 4.2485 4.2485 4.3493 4.3493 4.6658 4.6658 4.9535 4.9535 5.1953 5.1953 5.3284 5.3284 6.0158 6.0158 6.4851 6.4851 9.3530 9.3530 9.8877 9.8877 10.2214 10.2214 10.9594 10.9594 11.5359 11.5359 k = 0.0000 0.0887-0.0000 ( 5143 PWs) bands (ev): -54.4816 -54.4816 -54.4466 -54.4466 -28.8671 -28.8671 -28.7370 -28.7370 -21.3394 -21.3394 -21.2129 -21.2129 -21.0288 -21.0288 -20.9149 -20.9149 -8.0300 -8.0300 -7.6084 -7.6084 -6.9083 -6.9083 -6.1879 -6.1879 2.0556 2.0556 2.8092 2.8092 3.0935 3.0935 3.3972 3.3972 4.2695 4.2695 4.3660 4.3660 4.6886 4.6886 4.9678 4.9678 5.2040 5.2040 5.3270 5.3270 6.0408 6.0408 6.5443 6.5443 9.2827 9.2827 9.8730 9.8730 10.2268 10.2268 10.9993 10.9993 11.4849 11.4849 k = 0.0000 0.0776-0.0000 ( 5153 PWs) bands (ev): -54.4819 -54.4819 -54.4464 -54.4464 -28.8677 -28.8677 -28.7360 -28.7360 -21.3394 -21.3394 -21.2114 -21.2114 -21.0293 -21.0293 -20.9133 -20.9133 -8.0377 -8.0377 -7.6086 -7.6086 -6.9240 -6.9240 -6.2016 -6.2016 2.0762 2.0762 2.8091 2.8091 3.0874 3.0874 3.3942 3.3942 4.2893 4.2893 4.3805 4.3805 4.7097 4.7097 4.9799 4.9799 5.2119 5.2119 5.3257 5.3257 6.0646 6.0646 6.5966 6.5966 9.2185 9.2185 9.8588 9.8588 10.2311 10.2311 11.0398 11.0398 11.4396 11.4396 k = 0.0000 0.0665-0.0000 ( 5149 PWs) bands (ev): -54.4821 -54.4821 -54.4462 -54.4462 -28.8682 -28.8682 -28.7351 -28.7351 -21.3393 -21.3393 -21.2100 -21.2100 -21.0296 -21.0296 -20.9119 -20.9119 -8.0444 -8.0444 -7.6088 -7.6088 -6.9376 -6.9376 -6.2137 -6.2137 2.0953 2.0953 2.8089 2.8089 3.0814 3.0814 3.3912 3.3912 4.3076 4.3076 4.3927 4.3927 4.7289 4.7289 4.9901 4.9901 5.2189 5.2189 5.3246 5.3246 6.0865 6.0865 6.6418 6.6418 9.1611 9.1611 9.8455 9.8455 10.2345 10.2345 11.0794 11.0794 11.4003 11.4003 k = 0.0000 0.0555-0.0000 ( 5149 PWs) bands (ev): -54.4822 -54.4822 -54.4460 -54.4460 -28.8687 -28.8687 -28.7343 -28.7343 -21.3392 -21.3392 -21.2089 -21.2089 -21.0300 -21.0300 -20.9106 -20.9106 -8.0502 -8.0502 -7.6090 -7.6090 -6.9492 -6.9492 -6.2241 -6.2241 2.1124 2.1124 2.8086 2.8086 3.0756 3.0756 3.3886 3.3886 4.3240 4.3240 4.4027 4.4027 4.7457 4.7457 4.9984 4.9984 5.2250 5.2250 5.3237 5.3237 6.1062 6.1062 6.6800 6.6800 9.1111 9.1111 9.8336 9.8336 10.2369 10.2369 11.1167 11.1167 11.3671 11.3671 k = 0.0000 0.0444-0.0000 ( 5151 PWs) bands (ev): -54.4824 -54.4824 -54.4459 -54.4459 -28.8691 -28.8691 -28.7337 -28.7337 -21.3392 -21.3392 -21.2079 -21.2079 -21.0302 -21.0302 -20.9096 -20.9096 -8.0551 -8.0551 -7.6092 -7.6092 -6.9586 -6.9586 -6.2327 -6.2327 2.1271 2.1271 2.8083 2.8083 3.0704 3.0704 3.3863 3.3863 4.3381 4.3381 4.4106 4.4106 4.7600 4.7600 5.0049 5.0049 5.2300 5.2300 5.3229 5.3229 6.1232 6.1232 6.7111 6.7111 9.0691 9.0691 9.8233 9.8233 10.2385 10.2385 11.1501 11.1501 11.3399 11.3399 k = 0.0000 0.0333-0.0000 ( 5159 PWs) bands (ev): -54.4825 -54.4825 -54.4458 -54.4458 -28.8694 -28.8694 -28.7332 -28.7332 -21.3392 -21.3392 -21.2072 -21.2072 -21.0305 -21.0305 -20.9088 -20.9088 -8.0589 -8.0589 -7.6093 -7.6093 -6.9660 -6.9660 -6.2395 -6.2395 2.1390 2.1390 2.8079 2.8079 3.0661 3.0661 3.3844 3.3844 4.3497 4.3497 4.4164 4.4164 4.7714 4.7714 5.0099 5.0099 5.2340 5.2340 5.3223 5.3223 6.1369 6.1369 6.7353 6.7353 9.0358 9.0358 9.8151 9.8151 10.2396 10.2396 11.1781 11.1781 11.3188 11.3188 k = 0.0000 0.0222-0.0000 ( 5153 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7328 -28.7328 -21.3391 -21.3391 -21.2066 -21.2066 -21.0306 -21.0306 -20.9082 -20.9082 -8.0616 -8.0616 -7.6094 -7.6094 -6.9712 -6.9712 -6.2444 -6.2444 2.1478 2.1478 2.8076 2.8076 3.0627 3.0627 3.3830 3.3830 4.3583 4.3583 4.4203 4.4203 4.7797 4.7797 5.0133 5.0133 5.2368 5.2368 5.3218 5.3218 6.1470 6.1470 6.7524 6.7524 9.0117 9.0117 9.8090 9.8090 10.2401 10.2401 11.1991 11.1991 11.3038 11.3038 k = 0.0000 0.0111-0.0000 ( 5155 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7326 -28.7326 -21.3391 -21.3391 -21.2064 -21.2064 -21.0307 -21.0307 -20.9078 -20.9078 -8.0632 -8.0632 -7.6095 -7.6095 -6.9744 -6.9744 -6.2473 -6.2473 2.1532 2.1532 2.8075 2.8075 3.0606 3.0606 3.3822 3.3822 4.3637 4.3637 4.4225 4.4225 4.7848 4.7848 5.0153 5.0153 5.2386 5.2386 5.3216 5.3216 6.1532 6.1532 6.7627 6.7627 8.9970 8.9970 9.8053 9.8053 10.2404 10.2404 11.2123 11.2123 11.2948 11.2948 k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3391 -21.3391 -21.2062 -21.2062 -21.0308 -21.0308 -20.9077 -20.9077 -8.0638 -8.0638 -7.6095 -7.6095 -6.9754 -6.9754 -6.2483 -6.2483 2.1550 2.1550 2.8074 2.8074 3.0599 3.0599 3.3819 3.3819 4.3655 4.3655 4.4233 4.4233 4.7865 4.7865 5.0160 5.0160 5.2392 5.2392 5.3215 5.3215 6.1553 6.1553 6.7661 6.7661 8.9921 8.9921 9.8041 9.8041 10.2405 10.2405 11.2167 11.2167 11.2918 11.2918 k = 0.0000 0.0000 0.0000 ( 5155 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3391 -21.3391 -21.2062 -21.2062 -21.0308 -21.0308 -20.9077 -20.9077 -8.0638 -8.0638 -7.6095 -7.6095 -6.9754 -6.9754 -6.2483 -6.2483 2.1550 2.1550 2.8074 2.8074 3.0599 3.0599 3.3819 3.3819 4.3655 4.3655 4.4233 4.4233 4.7865 4.7865 5.0160 5.0160 5.2392 5.2392 5.3215 5.3215 6.1553 6.1553 6.7661 6.7661 8.9921 8.9921 9.8041 9.8041 10.2405 10.2405 11.2167 11.2167 11.2918 11.2918 k = 0.0000 0.0000 0.0108 ( 5149 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3391 -21.3391 -21.2062 -21.2062 -21.0307 -21.0307 -20.9077 -20.9077 -8.0632 -8.0632 -7.6107 -7.6107 -6.9748 -6.9748 -6.2483 -6.2483 2.1525 2.1525 2.8114 2.8114 3.0600 3.0600 3.3820 3.3820 4.3640 4.3640 4.4239 4.4239 4.7863 4.7863 5.0148 5.0148 5.2380 5.2380 5.3233 5.3233 6.1545 6.1545 6.7660 6.7660 8.9921 8.9921 9.8036 9.8036 10.2411 10.2411 11.2153 11.2153 11.2965 11.2965 k = 0.0000 0.0000 0.0217 ( 5151 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3391 -21.3391 -21.2062 -21.2062 -21.0307 -21.0307 -20.9077 -20.9077 -8.0616 -8.0616 -7.6141 -7.6141 -6.9729 -6.9729 -6.2484 -6.2484 2.1451 2.1451 2.8232 2.8232 3.0601 3.0601 3.3823 3.3823 4.3596 4.3596 4.4256 4.4256 4.7857 4.7857 5.0113 5.0113 5.2348 5.2348 5.3286 5.3286 6.1519 6.1519 6.7657 6.7657 8.9922 8.9922 9.8021 9.8021 10.2429 10.2429 11.2112 11.2112 11.3106 11.3106 k = 0.0000 0.0000 0.0325 ( 5151 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8698 -28.8698 -28.7325 -28.7325 -21.3391 -21.3391 -21.2063 -21.2063 -21.0307 -21.0307 -20.9077 -20.9077 -8.0588 -8.0588 -7.6197 -7.6197 -6.9699 -6.9699 -6.2485 -6.2485 2.1334 2.1334 2.8421 2.8421 3.0603 3.0603 3.3827 3.3827 4.3529 4.3529 4.4280 4.4280 4.7846 4.7846 5.0055 5.0055 5.2299 5.2299 5.3370 5.3370 6.1477 6.1477 6.7652 6.7652 8.9922 8.9922 9.7998 9.7998 10.2455 10.2455 11.2048 11.2048 11.3338 11.3338 k = 0.0000 0.0000 0.0434 ( 5143 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3391 -21.3391 -21.2062 -21.2062 -21.0307 -21.0307 -20.9077 -20.9077 -8.0548 -8.0548 -7.6273 -7.6273 -6.9658 -6.9658 -6.2487 -6.2487 2.1184 2.1184 2.8671 2.8671 3.0607 3.0607 3.3832 3.3832 4.3444 4.3444 4.4307 4.4307 4.7831 4.7831 4.9971 4.9971 5.2240 5.2240 5.3481 5.3481 6.1419 6.1419 6.7646 6.7646 8.9922 8.9922 9.7970 9.7970 10.2489 10.2489 11.1964 11.1964 11.3658 11.3658 k = 0.0000 0.0000 0.0542 ( 5149 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3391 -21.3391 -21.2062 -21.2062 -21.0308 -21.0308 -20.9077 -20.9077 -8.0499 -8.0499 -7.6369 -7.6369 -6.9608 -6.9608 -6.2489 -6.2489 2.1009 2.1009 2.8971 2.8971 3.0612 3.0612 3.3838 3.3838 4.3343 4.3343 4.4334 4.4334 4.7812 4.7812 4.9861 4.9861 5.2179 5.2179 5.3614 5.3614 6.1346 6.1346 6.7637 6.7637 8.9922 8.9922 9.7938 9.7938 10.2525 10.2525 11.1865 11.1865 11.4064 11.4064 k = 0.0000 0.0000 0.0650 ( 5141 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7325 -28.7325 -21.3390 -21.3390 -21.2062 -21.2062 -21.0307 -21.0307 -20.9076 -20.9076 -8.0438 -8.0438 -7.6481 -7.6481 -6.9550 -6.9550 -6.2492 -6.2492 2.0819 2.0819 2.9309 2.9309 3.0621 3.0621 3.3846 3.3846 4.3232 4.3232 4.4361 4.4361 4.7788 4.7788 4.9723 4.9723 5.2119 5.2119 5.3766 5.3766 6.1259 6.1259 6.7627 6.7627 8.9923 8.9923 9.7906 9.7906 10.2562 10.2562 11.1752 11.1752 11.4553 11.4553 k = 0.0000 0.0000 0.0759 ( 5133 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7324 -28.7324 -21.3390 -21.3390 -21.2062 -21.2062 -21.0307 -21.0307 -20.9076 -20.9076 -8.0367 -8.0367 -7.6609 -7.6609 -6.9488 -6.9488 -6.2495 -6.2495 2.0621 2.0621 2.9672 2.9672 3.0635 3.0635 3.3855 3.3855 4.3111 4.3111 4.4386 4.4386 4.7761 4.7761 4.9558 4.9558 5.2067 5.2067 5.3932 5.3932 6.1158 6.1158 6.7616 6.7616 8.9923 8.9923 9.7875 9.7875 10.2596 10.2596 11.1631 11.1631 11.5121 11.5121 k = 0.0000 0.0000 0.0867 ( 5135 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8697 -28.8697 -28.7324 -28.7324 -21.3390 -21.3390 -21.2062 -21.2062 -21.0307 -21.0307 -20.9076 -20.9076 -8.0286 -8.0286 -7.6749 -7.6749 -6.9423 -6.9423 -6.2498 -6.2498 2.0422 2.0422 3.0040 3.0040 3.0666 3.0666 3.3864 3.3864 4.2982 4.2982 4.4411 4.4411 4.7730 4.7730 4.9367 4.9367 5.2026 5.2026 5.4110 5.4110 6.1047 6.1047 6.7605 6.7605 8.9924 8.9924 9.7848 9.7848 10.2625 10.2625 11.1504 11.1504 11.5763 11.5763 k = 0.0000 0.0000 0.0976 ( 5119 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8696 -28.8696 -28.7324 -28.7324 -21.3389 -21.3389 -21.2062 -21.2062 -21.0306 -21.0306 -20.9076 -20.9076 -8.0195 -8.0195 -7.6900 -7.6900 -6.9356 -6.9356 -6.2502 -6.2502 2.0228 2.0228 3.0355 3.0355 3.0763 3.0763 3.3874 3.3874 4.2849 4.2849 4.4434 4.4434 4.7697 4.7697 4.9152 4.9152 5.1997 5.1997 5.4295 5.4295 6.0926 6.0926 6.7592 6.7592 8.9924 8.9924 9.7825 9.7825 10.2650 10.2650 11.1375 11.1375 11.6471 11.6471 k = 0.0000 0.0000 0.1084 ( 5117 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8696 -28.8696 -28.7324 -28.7324 -21.3389 -21.3389 -21.2061 -21.2061 -21.0306 -21.0306 -20.9076 -20.9076 -8.0095 -8.0095 -7.7060 -7.7060 -6.9290 -6.9290 -6.2505 -6.2505 2.0042 2.0042 3.0505 3.0505 3.1028 3.1028 3.3884 3.3884 4.2712 4.2712 4.4457 4.4457 4.7663 4.7663 4.8921 4.8921 5.1981 5.1981 5.4484 5.4484 6.0798 6.0798 6.7580 6.7580 8.9925 8.9925 9.7807 9.7807 10.2668 10.2668 11.1248 11.1248 11.7236 11.7236 k = 0.0000 0.0000 0.1192 ( 5105 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7324 -28.7324 -21.3389 -21.3389 -21.2061 -21.2061 -21.0306 -21.0306 -20.9076 -20.9076 -7.9986 -7.9986 -7.7226 -7.7226 -6.9226 -6.9226 -6.2509 -6.2509 1.9869 1.9869 3.0550 3.0550 3.1393 3.1393 3.3894 3.3894 4.2574 4.2574 4.4479 4.4479 4.7628 4.7628 4.8680 4.8680 5.1974 5.1974 5.4674 5.4674 6.0665 6.0665 6.7567 6.7567 8.9925 8.9925 9.7793 9.7793 10.2681 10.2681 11.1126 11.1126 11.8029 11.8029 k = 0.0000 0.0000 0.1301 ( 5105 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7324 -28.7324 -21.3389 -21.3389 -21.2061 -21.2061 -21.0306 -21.0306 -20.9076 -20.9076 -7.9870 -7.9870 -7.7396 -7.7396 -6.9166 -6.9166 -6.2512 -6.2512 1.9711 1.9711 3.0568 3.0568 3.1772 3.1772 3.3904 3.3904 4.2437 4.2437 4.4502 4.4502 4.7594 4.7594 4.8436 4.8436 5.1976 5.1976 5.4860 5.4860 6.0532 6.0532 6.7555 6.7555 8.9926 8.9926 9.7785 9.7785 10.2689 10.2689 11.1012 11.1012 11.8670 11.8670 k = 0.0000 0.0000 0.1409 ( 5113 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7324 -28.7324 -21.3389 -21.3389 -21.2061 -21.2061 -21.0307 -21.0307 -20.9076 -20.9076 -7.9747 -7.9747 -7.7568 -7.7568 -6.9111 -6.9111 -6.2515 -6.2515 1.9570 1.9570 3.0579 3.0579 3.2137 3.2137 3.3913 3.3913 4.2303 4.2303 4.4525 4.4525 4.7561 4.7561 4.8200 4.8200 5.1984 5.1984 5.5037 5.5037 6.0401 6.0401 6.7544 6.7544 8.9926 8.9926 9.7780 9.7780 10.2693 10.2693 11.0908 11.0908 11.8836 11.8836 k = 0.0000 0.0000 0.1518 ( 5123 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8696 -28.8696 -28.7325 -28.7325 -21.3389 -21.3389 -21.2061 -21.2061 -21.0307 -21.0307 -20.9077 -20.9077 -7.9618 -7.9618 -7.7739 -7.7739 -6.9062 -6.9062 -6.2518 -6.2518 1.9449 1.9449 3.0585 3.0585 3.2473 3.2473 3.3921 3.3921 4.2178 4.2178 4.4547 4.4547 4.7530 4.7530 4.7981 4.7981 5.1995 5.1995 5.5201 5.5201 6.0277 6.0277 6.7534 6.7534 8.9926 8.9926 9.7778 9.7778 10.2693 10.2693 11.0816 11.0816 11.8868 11.8868 k = 0.0000 0.0000 0.1626 ( 5134 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8696 -28.8696 -28.7325 -28.7325 -21.3389 -21.3389 -21.2062 -21.2062 -21.0308 -21.0308 -20.9077 -20.9077 -7.9488 -7.9488 -7.7906 -7.7906 -6.9021 -6.9021 -6.2521 -6.2521 1.9348 1.9348 3.0590 3.0590 3.2768 3.2768 3.3928 3.3928 4.2064 4.2064 4.4568 4.4568 4.7500 4.7500 4.7790 4.7790 5.2007 5.2007 5.5347 5.5347 6.0164 6.0164 6.7525 6.7525 8.9927 8.9927 9.7779 9.7779 10.2692 10.2692 11.0739 11.0739 11.8879 11.8879 k = 0.0000 0.0000 0.1735 ( 5130 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8696 -28.8696 -28.7325 -28.7325 -21.3389 -21.3389 -21.2062 -21.2062 -21.0308 -21.0308 -20.9077 -20.9077 -7.9359 -7.9359 -7.8064 -7.8064 -6.8989 -6.8989 -6.2523 -6.2523 1.9268 1.9268 3.0593 3.0593 3.3013 3.3013 3.3933 3.3933 4.1967 4.1967 4.4587 4.4587 4.7467 4.7467 4.7639 4.7639 5.2019 5.2019 5.5468 5.5468 6.0069 6.0069 6.7518 6.7518 8.9927 8.9927 9.7780 9.7780 10.2690 10.2690 11.0677 11.0677 11.8884 11.8884 k = 0.0000 0.0000 0.1843 ( 5130 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8696 -28.8696 -28.7325 -28.7325 -21.3389 -21.3389 -21.2061 -21.2061 -21.0308 -21.0308 -20.9077 -20.9077 -7.9241 -7.9241 -7.8203 -7.8203 -6.8965 -6.8965 -6.2524 -6.2524 1.9210 1.9210 3.0595 3.0595 3.3196 3.3196 3.3938 3.3938 4.1893 4.1893 4.4602 4.4602 4.7419 4.7419 4.7549 4.7549 5.2028 5.2028 5.5560 5.5560 5.9996 5.9996 6.7513 6.7513 8.9927 8.9927 9.7782 9.7782 10.2688 10.2688 11.0632 11.0632 11.8886 11.8886 k = 0.0000 0.0000 0.1951 ( 5128 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7325 -28.7325 -21.3389 -21.3389 -21.2061 -21.2061 -21.0308 -21.0308 -20.9077 -20.9077 -7.9150 -7.9150 -7.8307 -7.8307 -6.8950 -6.8950 -6.2525 -6.2525 1.9175 1.9175 3.0596 3.0596 3.3309 3.3309 3.3940 3.3940 4.1846 4.1846 4.4612 4.4612 4.7369 4.7369 4.7514 4.7514 5.2034 5.2034 5.5618 5.5618 5.9950 5.9950 6.7510 6.7510 8.9927 8.9927 9.7783 9.7783 10.2686 10.2686 11.0605 11.0605 11.8887 11.8887 k = 0.0000 0.0000 0.2060 ( 5124 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7325 -28.7325 -21.3388 -21.3388 -21.2061 -21.2061 -21.0308 -21.0308 -20.9077 -20.9077 -7.9114 -7.9114 -7.8347 -7.8347 -6.8945 -6.8945 -6.2526 -6.2526 1.9164 1.9164 3.0596 3.0596 3.3348 3.3348 3.3941 3.3941 4.1830 4.1830 4.4616 4.4616 4.7349 4.7349 4.7505 4.7505 5.2036 5.2036 5.5637 5.5637 5.9935 5.9935 6.7509 6.7509 8.9927 8.9927 9.7784 9.7784 10.2685 10.2685 11.0596 11.0596 11.8888 11.8888 k = 0.0000 0.0000 0.2060 ( 5124 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7325 -28.7325 -21.3388 -21.3388 -21.2061 -21.2061 -21.0308 -21.0308 -20.9077 -20.9077 -7.9114 -7.9114 -7.8347 -7.8347 -6.8945 -6.8945 -6.2526 -6.2526 1.9164 1.9164 3.0596 3.0596 3.3348 3.3348 3.3941 3.3941 4.1830 4.1830 4.4616 4.4616 4.7349 4.7349 4.7505 4.7505 5.2036 5.2036 5.5637 5.5637 5.9935 5.9935 6.7509 6.7509 8.9927 8.9927 9.7784 9.7784 10.2685 10.2685 11.0596 11.0596 11.8888 11.8888 k = 0.0111-0.0000 0.2060 ( 5124 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7326 -28.7326 -21.3387 -21.3387 -21.2063 -21.2063 -21.0309 -21.0309 -20.9079 -20.9079 -7.9105 -7.9105 -7.8342 -7.8342 -6.8945 -6.8945 -6.2525 -6.2525 1.9180 1.9180 3.0595 3.0595 3.3341 3.3341 3.3934 3.3934 4.1848 4.1848 4.4623 4.4623 4.7327 4.7327 4.7523 4.7523 5.2033 5.2033 5.5581 5.5581 5.9911 5.9911 6.7468 6.7468 8.9959 8.9959 9.7831 9.7831 10.2725 10.2725 11.0606 11.0606 11.8877 11.8877 k = 0.0222-0.0000 0.2060 ( 5124 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7328 -28.7328 -21.3385 -21.3385 -21.2068 -21.2068 -21.0310 -21.0310 -20.9085 -20.9085 -7.9079 -7.9079 -7.8328 -7.8328 -6.8945 -6.8945 -6.2523 -6.2523 1.9227 1.9227 3.0590 3.0590 3.3322 3.3322 3.3914 3.3914 4.1899 4.1899 4.4644 4.4644 4.7276 4.7276 4.7561 4.7561 5.2026 5.2026 5.5415 5.5415 5.9841 5.9841 6.7348 6.7348 9.0053 9.0053 9.7970 9.7970 10.2841 10.2841 11.0637 11.0637 11.8845 11.8845 k = 0.0333-0.0000 0.2060 ( 5124 PWs) bands (ev): -54.4825 -54.4825 -54.4457 -54.4457 -28.8694 -28.8694 -28.7332 -28.7332 -21.3382 -21.3382 -21.2076 -21.2076 -21.0312 -21.0312 -20.9096 -20.9096 -7.9034 -7.9034 -7.8304 -7.8304 -6.8943 -6.8943 -6.2519 -6.2519 1.9306 1.9306 3.0582 3.0582 3.3291 3.3291 3.3881 3.3881 4.1980 4.1980 4.4682 4.4682 4.7211 4.7211 4.7603 4.7603 5.2010 5.2010 5.5146 5.5146 5.9729 5.9729 6.7150 6.7150 9.0207 9.0207 9.8198 9.8198 10.3032 10.3032 11.0687 11.0687 11.8792 11.8792 k = 0.0444-0.0000 0.2060 ( 5120 PWs) bands (ev): -54.4824 -54.4824 -54.4457 -54.4457 -28.8693 -28.8693 -28.7337 -28.7337 -21.3376 -21.3376 -21.2087 -21.2087 -21.0315 -21.0315 -20.9110 -20.9110 -7.8972 -7.8972 -7.8270 -7.8270 -6.8942 -6.8942 -6.2515 -6.2515 1.9416 1.9416 3.0572 3.0572 3.3248 3.3248 3.3840 3.3840 4.2082 4.2082 4.4739 4.4739 4.7132 4.7132 4.7644 4.7644 5.1981 5.1981 5.4786 5.4786 5.9581 5.9581 6.6881 6.6881 9.0416 9.0416 9.8504 9.8504 10.3291 10.3291 11.0757 11.0757 11.8720 11.8720 k = 0.0556-0.0000 0.2060 ( 5116 PWs) bands (ev): -54.4822 -54.4822 -54.4458 -54.4458 -28.8693 -28.8693 -28.7344 -28.7344 -21.3370 -21.3370 -21.2102 -21.2102 -21.0319 -21.0319 -20.9129 -20.9129 -7.8893 -7.8893 -7.8228 -7.8228 -6.8939 -6.8939 -6.2509 -6.2509 1.9557 1.9557 3.0558 3.0558 3.3194 3.3194 3.3794 3.3794 4.2197 4.2197 4.4821 4.4821 4.7038 4.7038 4.7683 4.7683 5.1929 5.1929 5.4353 5.4353 5.9406 5.9406 6.6545 6.6545 9.0676 9.0676 9.8880 9.8880 10.3611 10.3611 11.0845 11.0845 11.8627 11.8627 k = 0.0667-0.0000 0.2060 ( 5128 PWs) bands (ev): -54.4820 -54.4820 -54.4459 -54.4459 -28.8692 -28.8692 -28.7352 -28.7352 -21.3362 -21.3362 -21.2120 -21.2120 -21.0324 -21.0324 -20.9151 -20.9151 -7.8797 -7.8797 -7.8176 -7.8176 -6.8936 -6.8936 -6.2502 -6.2502 1.9729 1.9729 3.0542 3.0542 3.3130 3.3130 3.3745 3.3745 4.2312 4.2312 4.4931 4.4931 4.6923 4.6923 4.7719 4.7719 5.1830 5.1830 5.3881 5.3881 5.9212 5.9212 6.6150 6.6150 9.0979 9.0979 9.9310 9.9310 10.3984 10.3984 11.0949 11.0949 11.8517 11.8517 k = 0.0778-0.0000 0.2060 ( 5118 PWs) bands (ev): -54.4818 -54.4818 -54.4459 -54.4459 -28.8691 -28.8691 -28.7361 -28.7361 -21.3353 -21.3353 -21.2140 -21.2140 -21.0330 -21.0330 -20.9177 -20.9177 -7.8685 -7.8685 -7.8114 -7.8114 -6.8932 -6.8932 -6.2494 -6.2494 1.9932 1.9932 3.0525 3.0525 3.3058 3.3058 3.3698 3.3698 4.2415 4.2415 4.5072 4.5072 4.6783 4.6783 4.7756 4.7756 5.1641 5.1641 5.3426 5.3426 5.9010 5.9010 6.5703 6.5703 9.1319 9.1319 9.9780 9.9780 10.4400 10.4400 11.1069 11.1069 11.8389 11.8389 k = 0.0889-0.0000 0.2060 ( 5110 PWs) bands (ev): -54.4816 -54.4816 -54.4460 -54.4460 -28.8689 -28.8689 -28.7372 -28.7372 -21.3342 -21.3342 -21.2163 -21.2163 -21.0338 -21.0338 -20.9206 -20.9206 -7.8559 -7.8559 -7.8044 -7.8044 -6.8926 -6.8926 -6.2485 -6.2485 2.0165 2.0165 3.0506 3.0506 3.2978 3.2978 3.3655 3.3655 4.2490 4.2490 4.5247 4.5247 4.6615 4.6615 4.7794 4.7794 5.1297 5.1297 5.3066 5.3066 5.8809 5.8809 6.5213 6.5213 9.1690 9.1690 10.0274 10.0274 10.4851 10.4851 11.1201 11.1201 11.8245 11.8245 k = 0.1000-0.0000 0.2060 ( 5120 PWs) bands (ev): -54.4813 -54.4813 -54.4461 -54.4461 -28.8688 -28.8688 -28.7384 -28.7384 -21.3331 -21.3331 -21.2189 -21.2189 -21.0347 -21.0347 -20.9239 -20.9239 -7.8418 -7.8418 -7.7965 -7.7965 -6.8919 -6.8919 -6.2476 -6.2476 2.0427 2.0427 3.0486 3.0486 3.2892 3.2892 3.3620 3.3620 4.2524 4.2524 4.5452 4.5452 4.6420 4.6420 4.7837 4.7837 5.0772 5.0772 5.2844 5.2844 5.8616 5.8616 6.4686 6.4686 9.2086 9.2086 10.0772 10.0772 10.5325 10.5325 11.1343 11.1343 11.8086 11.8086 k = 0.1111-0.0000 0.2060 ( 5120 PWs) bands (ev): -54.4810 -54.4810 -54.4462 -54.4462 -28.8686 -28.8686 -28.7398 -28.7398 -21.3318 -21.3318 -21.2217 -21.2217 -21.0357 -21.0357 -20.9274 -20.9274 -7.8265 -7.8265 -7.7876 -7.7876 -6.8911 -6.8911 -6.2466 -6.2466 2.0719 2.0719 3.0468 3.0468 3.2800 3.2800 3.3595 3.3595 4.2503 4.2503 4.5672 4.5672 4.6205 4.6205 4.7888 4.7888 5.0114 5.0114 5.2731 5.2731 5.8439 5.8439 6.4130 6.4130 9.2502 9.2502 10.1257 10.1257 10.5815 10.5815 11.1494 11.1494 11.7914 11.7914 k = 0.1222-0.0000 0.2060 ( 5116 PWs) bands (ev): -54.4806 -54.4806 -54.4463 -54.4463 -28.8683 -28.8683 -28.7413 -28.7413 -21.3305 -21.3305 -21.2247 -21.2247 -21.0369 -21.0369 -20.9312 -20.9312 -7.8102 -7.8102 -7.7777 -7.7777 -6.8900 -6.8900 -6.2456 -6.2456 2.1039 2.1039 3.0452 3.0452 3.2704 3.2704 3.3581 3.3581 4.2411 4.2411 4.5798 4.5798 4.6069 4.6069 4.7949 4.7949 4.9397 4.9397 5.2682 5.2682 5.8280 5.8280 6.3552 6.3552 9.2932 9.2932 10.1709 10.1709 10.6310 10.6310 11.1649 11.1649 11.7728 11.7728 k = 0.1333-0.0000 0.2060 ( 5120 PWs) bands (ev): -54.4802 -54.4802 -54.4465 -54.4465 -28.8681 -28.8681 -28.7429 -28.7429 -21.3291 -21.3291 -21.2278 -21.2278 -21.0382 -21.0382 -20.9352 -20.9352 -7.7933 -7.7933 -7.7665 -7.7665 -6.8886 -6.8886 -6.2446 -6.2446 2.1387 2.1387 3.0441 3.0441 3.2605 3.2605 3.3580 3.3580 4.2237 4.2237 4.5575 4.5575 4.6235 4.6235 4.8023 4.8023 4.8695 4.8695 5.2670 5.2670 5.8140 5.8140 6.2959 6.2959 9.3372 9.3372 10.2109 10.2109 10.6805 10.6805 11.1808 11.1808 11.7530 11.7530 k = 0.1444-0.0000 0.2060 ( 5118 PWs) bands (ev): -54.4798 -54.4798 -54.4466 -54.4466 -28.8678 -28.8678 -28.7446 -28.7446 -21.3277 -21.3277 -21.2311 -21.2311 -21.0397 -21.0397 -20.9393 -20.9393 -7.7764 -7.7764 -7.7536 -7.7536 -6.8870 -6.8870 -6.2436 -6.2436 2.1762 2.1762 3.0435 3.0435 3.2502 3.2502 3.3592 3.3592 4.1971 4.1971 4.5209 4.5209 4.6430 4.6430 4.7990 4.7990 4.8222 4.8222 5.2681 5.2681 5.8018 5.8018 6.2358 6.2358 9.3819 9.3819 10.2441 10.2441 10.7292 10.7292 11.1965 11.1965 11.7320 11.7320 k = 0.1556-0.0000 0.2060 ( 5110 PWs) bands (ev): -54.4794 -54.4794 -54.4468 -54.4468 -28.8675 -28.8675 -28.7464 -28.7464 -21.3262 -21.3262 -21.2345 -21.2345 -21.0413 -21.0413 -20.9436 -20.9436 -7.7605 -7.7605 -7.7382 -7.7382 -6.8850 -6.8850 -6.2426 -6.2426 2.2162 2.2162 3.0436 3.0436 3.2397 3.2397 3.3617 3.3617 4.1613 4.1613 4.4709 4.4709 4.6542 4.6542 4.7631 4.7631 4.8321 4.8321 5.2709 5.2709 5.7911 5.7911 6.1755 6.1755 9.4269 9.4269 10.2693 10.2693 10.7766 10.7766 11.2120 11.2120 11.7099 11.7099 k = 0.1667-0.0000 0.2060 ( 5106 PWs) bands (ev): -54.4789 -54.4789 -54.4469 -54.4469 -28.8671 -28.8671 -28.7484 -28.7484 -21.3247 -21.3247 -21.2379 -21.2379 -21.0432 -21.0432 -20.9481 -20.9481 -7.7458 -7.7458 -7.7201 -7.7201 -6.8826 -6.8826 -6.2417 -6.2417 2.2587 2.2587 3.0447 3.0447 3.2290 3.2290 3.3655 3.3655 4.1171 4.1171 4.4049 4.4049 4.6536 4.6536 4.7479 4.7479 4.8520 4.8520 5.2750 5.2750 5.7815 5.7815 6.1157 6.1157 9.4721 9.4721 10.2855 10.2855 10.8221 10.8221 11.2268 11.2268 11.6869 11.6869 k = 0.1778-0.0000 0.2060 ( 5110 PWs) bands (ev): -54.4785 -54.4785 -54.4471 -54.4471 -28.8667 -28.8667 -28.7505 -28.7505 -21.3233 -21.3233 -21.2414 -21.2414 -21.0452 -21.0452 -20.9526 -20.9526 -7.7321 -7.7321 -7.6999 -7.6999 -6.8797 -6.8797 -6.2408 -6.2408 2.3035 2.3035 3.0467 3.0467 3.2180 3.2180 3.3705 3.3705 4.0659 4.0659 4.3253 4.3253 4.6487 4.6487 4.7473 4.7473 4.8777 4.8777 5.2802 5.2802 5.7725 5.7725 6.0570 6.0570 9.5171 9.5171 10.2927 10.2927 10.8655 10.8655 11.2407 11.2407 11.6631 11.6631 k = 0.1889-0.0000 0.2060 ( 5106 PWs) bands (ev): -54.4780 -54.4780 -54.4473 -54.4473 -28.8663 -28.8663 -28.7527 -28.7527 -21.3219 -21.3219 -21.2449 -21.2449 -21.0474 -21.0474 -20.9571 -20.9571 -7.7186 -7.7186 -7.6785 -7.6785 -6.8763 -6.8763 -6.2401 -6.2401 2.3505 2.3505 3.0500 3.0500 3.2065 3.2065 3.3767 3.3767 4.0097 4.0097 4.2371 4.2371 4.6465 4.6465 4.7498 4.7498 4.9080 4.9080 5.2863 5.2863 5.7634 5.7634 6.0003 6.0003 9.5619 9.5619 10.2912 10.2912 10.9065 10.9065 11.2534 11.2534 11.6390 11.6390 k = 0.2000-0.0000 0.2060 ( 5102 PWs) bands (ev): -54.4774 -54.4774 -54.4475 -54.4475 -28.8658 -28.8658 -28.7549 -28.7549 -21.3206 -21.3206 -21.2484 -21.2484 -21.0497 -21.0497 -20.9616 -20.9616 -7.7053 -7.7053 -7.6563 -7.6563 -6.8722 -6.8722 -6.2395 -6.2395 2.3995 2.3995 3.0545 3.0545 3.1945 3.1945 3.3840 3.3840 3.9502 3.9502 4.1442 4.1442 4.6479 4.6479 4.7512 4.7512 4.9411 4.9411 5.2932 5.2932 5.7534 5.7534 5.9464 5.9464 9.6064 9.6064 10.2822 10.2822 10.9450 10.9450 11.2645 11.2645 11.6149 11.6149 k = 0.2111-0.0000 0.2060 ( 5106 PWs) bands (ev): -54.4769 -54.4769 -54.4477 -54.4477 -28.8653 -28.8653 -28.7573 -28.7573 -21.3194 -21.3194 -21.2519 -21.2519 -21.0523 -21.0523 -20.9661 -20.9661 -7.6918 -7.6918 -7.6337 -7.6337 -6.8675 -6.8675 -6.2391 -6.2391 2.4503 2.4503 3.0604 3.0604 3.1814 3.1814 3.3921 3.3921 3.8894 3.8894 4.0492 4.0492 4.6520 4.6520 4.7504 4.7504 4.9758 4.9758 5.3009 5.3009 5.7417 5.7417 5.8967 5.8967 9.6505 9.6505 10.2668 10.2668 10.9812 10.9812 11.2736 11.2736 11.5910 11.5910 k = 0.2222-0.0000 0.2060 ( 5104 PWs) bands (ev): -54.4763 -54.4763 -54.4480 -54.4480 -28.8647 -28.8647 -28.7597 -28.7597 -21.3184 -21.3184 -21.2553 -21.2553 -21.0549 -21.0549 -20.9705 -20.9705 -7.6783 -7.6783 -7.6110 -7.6110 -6.8619 -6.8619 -6.2390 -6.2390 2.5026 2.5026 3.0677 3.0677 3.1668 3.1668 3.4009 3.4009 3.8292 3.8292 3.9538 3.9538 4.6576 4.6576 4.7471 4.7471 5.0109 5.0109 5.3092 5.3092 5.7268 5.7268 5.8527 5.8527 9.6940 9.6940 10.2468 10.2468 11.0151 11.0151 11.2803 11.2803 11.5677 11.5677 k = 0.2333-0.0000 0.2060 ( 5098 PWs) bands (ev): -54.4757 -54.4757 -54.4482 -54.4482 -28.8641 -28.8641 -28.7622 -28.7622 -21.3175 -21.3175 -21.2585 -21.2585 -21.0576 -21.0576 -20.9749 -20.9749 -7.6646 -7.6646 -7.5884 -7.5884 -6.8554 -6.8554 -6.2390 -6.2390 2.5561 2.5561 3.0763 3.0763 3.1500 3.1500 3.4101 3.4101 3.7715 3.7715 3.8594 3.8594 4.6633 4.6633 4.7413 4.7413 5.0456 5.0456 5.3182 5.3182 5.7072 5.7072 5.8164 5.8164 9.7370 9.7370 10.2238 10.2238 11.0470 11.0470 11.2842 11.2842 11.5454 11.5454 k = 0.2444-0.0000 0.2060 ( 5098 PWs) bands (ev): -54.4751 -54.4751 -54.4485 -54.4485 -28.8634 -28.8634 -28.7648 -28.7648 -21.3168 -21.3168 -21.2617 -21.2617 -21.0604 -21.0604 -20.9792 -20.9792 -7.6508 -7.6508 -7.5662 -7.5662 -6.8479 -6.8479 -6.2394 -6.2394 2.6103 2.6103 3.0862 3.0862 3.1302 3.1302 3.4191 3.4191 3.7182 3.7182 3.7674 3.7674 4.6680 4.6680 4.7332 4.7332 5.0793 5.0793 5.3278 5.3278 5.6822 5.6822 5.7888 5.7888 9.7794 9.7794 10.1993 10.1993 11.0770 11.0770 11.2847 11.2847 11.5244 11.5244 k = 0.2556-0.0000 0.2060 ( 5098 PWs) bands (ev): -54.4745 -54.4745 -54.4488 -54.4488 -28.8627 -28.8627 -28.7675 -28.7675 -21.3163 -21.3163 -21.2647 -21.2647 -21.0631 -21.0631 -20.9834 -20.9834 -7.6370 -7.6370 -7.5446 -7.5446 -6.8393 -6.8393 -6.2400 -6.2400 2.6649 2.6649 3.0962 3.0962 3.1076 3.1076 3.4269 3.4269 3.6672 3.6672 3.6835 3.6835 4.6699 4.6699 4.7237 4.7237 5.1117 5.1117 5.3379 5.3379 5.6537 5.6537 5.7686 5.7686 9.8211 9.8211 10.1748 10.1748 11.1054 11.1054 11.2815 11.2815 11.5051 11.5051 k = 0.2667-0.0000 0.2060 ( 5098 PWs) bands (ev): -54.4738 -54.4738 -54.4491 -54.4491 -28.8619 -28.8619 -28.7702 -28.7702 -21.3161 -21.3161 -21.2675 -21.2675 -21.0659 -21.0659 -20.9875 -20.9875 -7.6232 -7.6232 -7.5238 -7.5238 -6.8295 -6.8295 -6.2411 -6.2411 2.7190 2.7190 3.0765 3.0765 3.1110 3.1110 3.4316 3.4316 3.5918 3.5918 3.6391 3.6391 4.6667 4.6667 4.7142 4.7142 5.1422 5.1422 5.3485 5.3485 5.6247 5.6247 5.7530 5.7530 9.8621 9.8621 10.1517 10.1517 11.1322 11.1322 11.2743 11.2743 11.4877 11.4877 k = 0.2778-0.0000 0.2060 ( 5098 PWs) bands (ev): -54.4732 -54.4732 -54.4494 -54.4494 -28.8610 -28.8610 -28.7729 -28.7729 -21.3161 -21.3161 -21.2701 -21.2701 -21.0686 -21.0686 -20.9915 -20.9915 -7.6094 -7.6094 -7.5040 -7.5040 -6.8185 -6.8185 -6.2425 -6.2425 2.7713 2.7713 3.0426 3.0426 3.1242 3.1242 3.4275 3.4275 3.5206 3.5206 3.6135 3.6135 4.6559 4.6559 4.7067 4.7067 5.1708 5.1708 5.3596 5.3596 5.5974 5.5974 5.7402 5.7402 9.9022 9.9022 10.1313 10.1313 11.1572 11.1572 11.2631 11.2631 11.4722 11.4722 k = 0.2889-0.0000 0.2060 ( 5108 PWs) bands (ev): -54.4725 -54.4725 -54.4498 -54.4498 -28.8602 -28.8602 -28.7757 -28.7757 -21.3164 -21.3164 -21.2726 -21.2726 -21.0711 -21.0711 -20.9955 -20.9955 -7.5957 -7.5957 -7.4854 -7.4854 -6.8061 -6.8061 -6.2444 -6.2444 2.8200 2.8200 3.0034 3.0034 3.1384 3.1384 3.3986 3.3986 3.4782 3.4782 3.6008 3.6008 4.6375 4.6375 4.7005 4.7005 5.1973 5.1973 5.3711 5.3711 5.5730 5.5730 5.7290 5.7290 9.9410 9.9410 10.1147 10.1147 11.1803 11.1803 11.2481 11.2481 11.4587 11.4587 k = 0.3000-0.0000 0.2060 ( 5108 PWs) bands (ev): -54.4718 -54.4718 -54.4501 -54.4501 -28.8592 -28.8592 -28.7786 -28.7786 -21.3169 -21.3169 -21.2750 -21.2750 -21.0735 -21.0735 -20.9993 -20.9993 -7.5822 -7.5822 -7.4681 -7.4681 -6.7924 -6.7924 -6.2468 -6.2468 2.8613 2.8613 2.9598 2.9598 3.1531 3.1531 3.3491 3.3491 3.4652 3.4652 3.5995 3.5995 4.6134 4.6134 4.6936 4.6936 5.2215 5.2215 5.3830 5.3830 5.5522 5.5522 5.7191 5.7191 9.9779 9.9779 10.1035 10.1035 11.2004 11.2004 11.2306 11.2306 11.4467 11.4467 k = 0.3111-0.0000 0.2060 ( 5104 PWs) bands (ev): -54.4712 -54.4712 -54.4505 -54.4505 -28.8581 -28.8581 -28.7814 -28.7814 -21.3175 -21.3175 -21.2772 -21.2772 -21.0756 -21.0756 -21.0031 -21.0031 -7.5688 -7.5688 -7.4523 -7.4523 -6.7774 -6.7774 -6.2497 -6.2497 2.8863 2.8863 2.9161 2.9161 3.1689 3.1689 3.3066 3.3066 3.4614 3.4614 3.6070 3.6070 4.5852 4.5852 4.6842 4.6842 5.2435 5.2435 5.3951 5.3951 5.5351 5.5351 5.7100 5.7100 10.0109 10.0109 10.1003 10.1003 11.2041 11.2041 11.2239 11.2239 11.4359 11.4359 k = 0.3222-0.0000 0.2060 ( 5094 PWs) bands (ev): -54.4705 -54.4705 -54.4509 -54.4509 -28.8569 -28.8569 -28.7843 -28.7843 -21.3182 -21.3182 -21.2794 -21.2794 -21.0774 -21.0774 -21.0068 -21.0068 -7.5556 -7.5556 -7.4380 -7.4380 -6.7610 -6.7610 -6.2532 -6.2532 2.8581 2.8581 2.9023 2.9023 3.1883 3.1883 3.2832 3.2832 3.4613 3.4613 3.6205 3.6205 4.5538 4.5538 4.6714 4.6714 5.2634 5.2634 5.4072 5.4072 5.5215 5.5215 5.7017 5.7017 10.0364 10.0364 10.1091 10.1091 11.1825 11.1825 11.2370 11.2370 11.4258 11.4258 k = 0.3333-0.0000 0.2060 ( 5094 PWs) bands (ev): -54.4698 -54.4698 -54.4513 -54.4513 -28.8557 -28.8557 -28.7872 -28.7872 -21.3190 -21.3190 -21.2816 -21.2816 -21.0790 -21.0790 -21.0105 -21.0105 -7.5427 -7.5427 -7.4253 -7.4253 -6.7434 -6.7434 -6.2574 -6.2574 2.8089 2.8089 2.8842 2.8842 3.2154 3.2154 3.2799 3.2799 3.4640 3.4640 3.6381 3.6381 4.5200 4.5200 4.6547 4.6547 5.2815 5.2815 5.4194 5.4194 5.5112 5.5112 5.6942 5.6942 10.0530 10.0530 10.1316 10.1316 11.1573 11.1573 11.2479 11.2479 11.4161 11.4161 k = 0.3444-0.0000 0.2060 ( 5086 PWs) bands (ev): -54.4691 -54.4691 -54.4517 -54.4517 -28.8544 -28.8544 -28.7901 -28.7901 -21.3199 -21.3199 -21.2837 -21.2837 -21.0801 -21.0801 -21.0141 -21.0141 -7.5300 -7.5300 -7.4142 -7.4142 -6.7246 -6.7246 -6.2622 -6.2622 2.7587 2.7587 2.8482 2.8482 3.2494 3.2494 3.2926 3.2926 3.4693 3.4693 3.6585 3.6585 4.4843 4.4843 4.6340 4.6340 5.2979 5.2979 5.4313 5.4313 5.5037 5.5037 5.6872 5.6872 10.0663 10.0663 10.1627 10.1627 11.1305 11.1305 11.2547 11.2547 11.4065 11.4065 k = 0.3556-0.0000 0.2060 ( 5092 PWs) bands (ev): -54.4683 -54.4683 -54.4521 -54.4521 -28.8531 -28.8531 -28.7930 -28.7930 -21.3207 -21.3207 -21.2860 -21.2860 -21.0810 -21.0810 -21.0177 -21.0177 -7.5177 -7.5177 -7.4047 -7.4047 -6.7047 -6.7047 -6.2678 -6.2678 2.7094 2.7094 2.8019 2.8019 3.2813 3.2813 3.3214 3.3214 3.4766 3.4766 3.6809 3.6809 4.4474 4.4474 4.6092 4.6092 5.3130 5.3130 5.4428 5.4428 5.4987 5.4987 5.6808 5.6808 10.0815 10.0815 10.1972 10.1972 11.1026 11.1026 11.2563 11.2563 11.3970 11.3970 k = 0.3667-0.0000 0.2060 ( 5092 PWs) bands (ev): -54.4676 -54.4676 -54.4526 -54.4526 -28.8517 -28.8517 -28.7959 -28.7959 -21.3215 -21.3215 -21.2882 -21.2882 -21.0814 -21.0814 -21.0213 -21.0213 -7.5057 -7.5057 -7.3968 -7.3968 -6.6839 -6.6839 -6.2742 -6.2742 2.6619 2.6619 2.7516 2.7516 3.3060 3.3060 3.3653 3.3653 3.4856 3.4856 3.7047 3.7047 4.4097 4.4097 4.5803 4.5803 5.3270 5.3270 5.4537 5.4537 5.4959 5.4959 5.6746 5.6746 10.1008 10.1008 10.2330 10.2330 11.0738 11.0738 11.2524 11.2524 11.3876 11.3876 k = 0.3778-0.0000 0.2060 ( 5088 PWs) bands (ev): -54.4669 -54.4669 -54.4531 -54.4531 -28.8502 -28.8502 -28.7988 -28.7988 -21.3221 -21.3221 -21.2906 -21.2906 -21.0815 -21.0815 -21.0248 -21.0248 -7.4941 -7.4941 -7.3904 -7.3904 -6.6624 -6.6624 -6.2814 -6.2814 2.6168 2.6168 2.7009 2.7009 3.3282 3.3282 3.4160 3.4160 3.4958 3.4958 3.7295 3.7295 4.3717 4.3717 4.5477 4.5477 5.3402 5.3402 5.4637 5.4637 5.4949 5.4949 5.6685 5.6685 10.1250 10.1250 10.2691 10.2691 11.0444 11.0444 11.2425 11.2425 11.3785 11.3785 k = 0.3889-0.0000 0.2060 ( 5084 PWs) bands (ev): -54.4662 -54.4662 -54.4535 -54.4535 -28.8485 -28.8485 -28.8017 -28.8017 -21.3226 -21.3226 -21.2930 -21.2930 -21.0811 -21.0811 -21.0283 -21.0283 -7.4829 -7.4829 -7.3855 -7.3855 -6.6403 -6.6403 -6.2895 -6.2895 2.5746 2.5746 2.6517 2.6517 3.3501 3.3501 3.4690 3.4690 3.5067 3.5067 3.7548 3.7548 4.3337 4.3337 4.5115 4.5115 5.3527 5.3527 5.4723 5.4723 5.4961 5.4961 5.6624 5.6624 10.1544 10.1544 10.3051 10.3051 11.0146 11.0146 11.2261 11.2261 11.3699 11.3699 k = 0.4000-0.0000 0.2060 ( 5084 PWs) bands (ev): -54.4655 -54.4655 -54.4540 -54.4540 -28.8469 -28.8469 -28.8046 -28.8046 -21.3230 -21.3230 -21.2955 -21.2955 -21.0805 -21.0805 -21.0318 -21.0318 -7.4721 -7.4721 -7.3819 -7.3819 -6.6179 -6.6179 -6.2985 -6.2985 2.5358 2.5358 2.6052 2.6052 3.3720 3.3720 3.5148 3.5148 3.5260 3.5260 3.7804 3.7804 4.2962 4.2962 4.4720 4.4720 5.3649 5.3649 5.4784 5.4784 5.4998 5.4998 5.6560 5.6560 10.1888 10.1888 10.3409 10.3409 10.9845 10.9845 11.2029 11.2029 11.3621 11.3621 k = 0.4111-0.0000 0.2060 ( 5080 PWs) bands (ev): -54.4648 -54.4648 -54.4546 -54.4546 -28.8451 -28.8451 -28.8073 -28.8073 -21.3231 -21.3231 -21.2979 -21.2979 -21.0794 -21.0794 -21.0353 -21.0353 -7.4617 -7.4617 -7.3796 -7.3796 -6.5952 -6.5952 -6.3085 -6.3085 2.5006 2.5006 2.5622 2.5622 3.3938 3.3938 3.5266 3.5266 3.5794 3.5794 3.8060 3.8060 4.2594 4.2594 4.4297 4.4297 5.3769 5.3769 5.4817 5.4817 5.5062 5.5062 5.6492 5.6492 10.2281 10.2281 10.3763 10.3763 10.9543 10.9543 11.1729 11.1729 11.3554 11.3554 k = 0.4222-0.0000 0.2060 ( 5076 PWs) bands (ev): -54.4641 -54.4641 -54.4551 -54.4551 -28.8433 -28.8433 -28.8101 -28.8101 -21.3231 -21.3231 -21.3005 -21.3005 -21.0781 -21.0781 -21.0387 -21.0387 -7.4519 -7.4519 -7.3785 -7.3785 -6.5725 -6.5725 -6.3194 -6.3194 2.4694 2.4694 2.5230 2.5230 3.4152 3.4152 3.5357 3.5357 3.6345 3.6345 3.8314 3.8314 4.2236 4.2236 4.3850 4.3850 5.3887 5.3887 5.4832 5.4832 5.5140 5.5140 5.6418 5.6418 10.2719 10.2719 10.4112 10.4112 10.9242 10.9242 11.1362 11.1362 11.3499 11.3499 k = 0.4333-0.0000 0.2060 ( 5078 PWs) bands (ev): -54.4634 -54.4634 -54.4557 -54.4557 -28.8414 -28.8414 -28.8129 -28.8129 -21.3228 -21.3228 -21.3030 -21.3030 -21.0764 -21.0764 -21.0422 -21.0422 -7.4425 -7.4425 -7.3785 -7.3785 -6.5499 -6.5499 -6.3314 -6.3314 2.4425 2.4425 2.4882 2.4882 3.4362 3.4362 3.5432 3.5432 3.6897 3.6897 3.8565 3.8565 4.1890 4.1890 4.3380 4.3380 5.4004 5.4004 5.4834 5.4834 5.5225 5.5225 5.6338 5.6338 10.3195 10.3195 10.4453 10.4453 10.8945 10.8945 11.0932 11.0932 11.3458 11.3458 k = 0.4444-0.0000 0.2060 ( 5072 PWs) bands (ev): -54.4627 -54.4627 -54.4562 -54.4562 -28.8394 -28.8394 -28.8156 -28.8156 -21.3222 -21.3222 -21.3054 -21.3054 -21.0745 -21.0745 -21.0456 -21.0456 -7.4336 -7.4336 -7.3795 -7.3795 -6.5277 -6.5277 -6.3445 -6.3445 2.4199 2.4199 2.4578 2.4578 3.4563 3.4563 3.5486 3.5486 3.7448 3.7448 3.8813 3.8813 4.1558 4.1558 4.2893 4.2893 5.4120 5.4120 5.4826 5.4826 5.5312 5.5312 5.6253 5.6253 10.3702 10.3702 10.4783 10.4783 10.8654 10.8654 11.0448 11.0448 11.3431 11.3431 k = 0.4556-0.0000 0.2060 ( 5068 PWs) bands (ev): -54.4620 -54.4620 -54.4568 -54.4568 -28.8373 -28.8373 -28.8182 -28.8182 -21.3214 -21.3214 -21.3078 -21.3078 -21.0723 -21.0723 -21.0489 -21.0489 -7.4253 -7.4253 -7.3815 -7.3815 -6.5058 -6.5058 -6.3585 -6.3585 2.4019 2.4019 2.4320 2.4320 3.4753 3.4753 3.5514 3.5514 3.7997 3.7997 3.9057 3.9057 4.1241 4.1241 4.2392 4.2392 5.4232 5.4232 5.4808 5.4808 5.5400 5.5400 5.6162 5.6162 10.4229 10.4229 10.5099 10.5099 10.8379 10.8379 10.9923 10.9923 11.3421 11.3421 k = 0.4667-0.0000 0.2060 ( 5072 PWs) bands (ev): -54.4613 -54.4613 -54.4574 -54.4574 -28.8352 -28.8352 -28.8208 -28.8208 -21.3205 -21.3205 -21.3101 -21.3101 -21.0699 -21.0699 -21.0522 -21.0522 -7.4175 -7.4175 -7.3844 -7.3844 -6.4845 -6.4845 -6.3736 -6.3736 2.3886 2.3886 2.4111 2.4111 3.4930 3.4930 3.5515 3.5515 3.8540 3.8540 3.9299 3.9299 4.0943 4.0943 4.1881 4.1881 5.4341 5.4341 5.4778 5.4778 5.5490 5.5490 5.6066 5.6066 10.4756 10.4756 10.5391 10.5391 10.8132 10.8132 10.9377 10.9377 11.3428 11.3428 k = 0.4778-0.0000 0.2060 ( 5068 PWs) bands (ev): -54.4606 -54.4606 -54.4580 -54.4580 -28.8330 -28.8330 -28.8234 -28.8234 -21.3192 -21.3192 -21.3123 -21.3123 -21.0673 -21.0673 -21.0554 -21.0554 -7.4103 -7.4103 -7.3881 -7.3881 -6.4639 -6.4639 -6.3898 -6.3898 2.3800 2.3800 2.3950 2.3950 3.5089 3.5089 3.5487 3.5487 3.9071 3.9071 3.9539 3.9539 4.0666 4.0666 4.1366 4.1366 5.4442 5.4442 5.4737 5.4737 5.5581 5.5581 5.5968 5.5968 10.5246 10.5246 10.5642 10.5642 10.7943 10.7943 10.8838 10.8838 11.3453 11.3453 k = 0.4889-0.0000 0.2060 ( 5054 PWs) bands (ev): -54.4599 -54.4599 -54.4587 -54.4587 -28.8306 -28.8306 -28.8258 -28.8258 -21.3177 -21.3177 -21.3142 -21.3142 -21.0645 -21.0645 -21.0585 -21.0585 -7.4037 -7.4037 -7.3926 -7.3926 -6.4440 -6.4440 -6.4069 -6.4069 2.3764 2.3764 2.3839 2.3839 3.5227 3.5227 3.5428 3.5428 3.9560 3.9560 3.9769 3.9769 4.0438 4.0438 4.0864 4.0864 5.4534 5.4534 5.4682 5.4682 5.5675 5.5675 5.5869 5.5869 10.5635 10.5635 10.5814 10.5814 10.7873 10.7873 10.8354 10.8354 11.3497 11.3497 k = 0.5000-0.0000 0.2060 ( 5060 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8283 -28.8283 -28.8283 -28.8283 -21.3161 -21.3161 -21.3161 -21.3161 -21.0616 -21.0616 -21.0616 -21.0616 -7.3978 -7.3978 -7.3978 -7.3978 -6.4250 -6.4250 -6.4250 -6.4250 2.3776 2.3776 2.3776 2.3776 3.5341 3.5341 3.5341 3.5341 3.9859 3.9859 3.9859 3.9859 4.0454 4.0454 4.0454 4.0454 5.4614 5.4614 5.4614 5.4614 5.5771 5.5771 5.5771 5.5771 10.5834 10.5834 10.5834 10.5834 10.8005 10.8005 10.8005 10.8005 11.3562 11.3562 k = 0.5000-0.0000 0.2060 ( 5060 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8283 -28.8283 -28.8283 -28.8283 -21.3161 -21.3161 -21.3161 -21.3161 -21.0616 -21.0616 -21.0616 -21.0616 -7.3978 -7.3978 -7.3978 -7.3978 -6.4250 -6.4250 -6.4250 -6.4250 2.3776 2.3776 2.3776 2.3776 3.5341 3.5341 3.5341 3.5341 3.9859 3.9859 3.9859 3.9859 4.0454 4.0454 4.0454 4.0454 5.4614 5.4614 5.4614 5.4614 5.5771 5.5771 5.5771 5.5771 10.5834 10.5834 10.5834 10.5834 10.8005 10.8005 10.8005 10.8005 11.3562 11.3562 k = 0.5000 0.0111 0.2060 ( 5052 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8282 -28.8282 -21.3218 -21.3218 -21.3103 -21.3103 -21.0671 -21.0671 -21.0562 -21.0562 -7.3977 -7.3977 -7.3976 -7.3976 -6.4259 -6.4259 -6.4216 -6.4216 2.3769 2.3769 2.3778 2.3778 3.5241 3.5241 3.5424 3.5424 3.9735 3.9735 3.9915 3.9915 4.0313 4.0313 4.0571 4.0571 5.4623 5.4623 5.4638 5.4638 5.5759 5.5759 5.5826 5.5826 10.5789 10.5789 10.5854 10.5854 10.7971 10.7971 10.8023 10.8023 11.3403 11.3403 k = 0.5000 0.0222 0.2060 ( 5064 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8285 -28.8285 -28.8281 -28.8281 -21.3276 -21.3276 -21.3046 -21.3046 -21.0730 -21.0730 -21.0510 -21.0510 -7.3974 -7.3974 -7.3972 -7.3972 -6.4244 -6.4244 -6.4158 -6.4158 2.3757 2.3757 2.3773 2.3773 3.5119 3.5119 3.5490 3.5490 3.9564 3.9564 3.9826 3.9826 4.0227 4.0227 4.0650 4.0650 5.4645 5.4645 5.4689 5.4689 5.5792 5.5792 5.5938 5.5938 10.5714 10.5714 10.5851 10.5851 10.7920 10.7920 10.8028 10.8028 11.3198 11.3198 k = 0.5000 0.0333 0.2060 ( 5072 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8287 -28.8287 -28.8281 -28.8281 -21.3332 -21.3332 -21.2989 -21.2989 -21.0790 -21.0790 -21.0461 -21.0461 -7.3968 -7.3968 -7.3965 -7.3965 -6.4204 -6.4204 -6.4075 -6.4075 2.3739 2.3739 2.3763 2.3763 3.4971 3.4971 3.5542 3.5542 3.9354 3.9354 3.9563 3.9563 4.0226 4.0226 4.0699 4.0699 5.4650 5.4650 5.4739 5.4739 5.5892 5.5892 5.6127 5.6127 10.5600 10.5600 10.5825 10.5825 10.7853 10.7853 10.8024 10.8024 11.2961 11.2961 k = 0.5000 0.0444 0.2060 ( 5072 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8289 -28.8289 -28.8281 -28.8281 -21.3388 -21.3388 -21.2933 -21.2933 -21.0850 -21.0850 -21.0414 -21.0414 -7.3959 -7.3959 -7.3955 -7.3955 -6.4140 -6.4140 -6.3968 -6.3968 2.3715 2.3715 2.3744 2.3744 3.4794 3.4794 3.5580 3.5580 3.9115 3.9115 3.9204 3.9204 4.0247 4.0247 4.0727 4.0727 5.4618 5.4618 5.4754 5.4754 5.6082 5.6082 5.6402 5.6402 10.5435 10.5435 10.5771 10.5771 10.7773 10.7773 10.8019 10.8019 11.2707 11.2707 k = 0.5000 0.0555 0.2060 ( 5088 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8292 -28.8292 -28.8282 -28.8282 -21.3443 -21.3443 -21.2878 -21.2878 -21.0912 -21.0912 -21.0371 -21.0371 -7.3947 -7.3947 -7.3943 -7.3943 -6.4051 -6.4051 -6.3838 -6.3838 2.3683 2.3683 2.3717 2.3717 3.4582 3.4582 3.5600 3.5600 3.8788 3.8788 3.8859 3.8859 4.0265 4.0265 4.0740 4.0740 5.4541 5.4541 5.4714 5.4714 5.6365 5.6365 5.6754 5.6754 10.5207 10.5207 10.5679 10.5679 10.7685 10.7685 10.8019 10.8019 11.2455 11.2455 k = 0.5000 0.0665 0.2060 ( 5084 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8294 -28.8294 -28.8283 -28.8283 -21.3496 -21.3496 -21.2824 -21.2824 -21.0974 -21.0974 -21.0329 -21.0329 -7.3933 -7.3933 -7.3928 -7.3928 -6.3939 -6.3939 -6.3686 -6.3686 2.3644 2.3644 2.3679 2.3679 3.4331 3.4331 3.5598 3.5598 3.8341 3.8341 3.8600 3.8600 4.0277 4.0277 4.0745 4.0745 5.4422 5.4422 5.4625 5.4625 5.6721 5.6721 5.7163 5.7163 10.4909 10.4909 10.5541 10.5541 10.7599 10.7599 10.8032 10.8032 11.2220 11.2220 k = 0.5000 0.0776 0.2060 ( 5092 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8297 -28.8297 -28.8284 -28.8284 -21.3549 -21.3549 -21.2772 -21.2772 -21.1036 -21.1036 -21.0291 -21.0291 -7.3917 -7.3917 -7.3911 -7.3911 -6.3804 -6.3804 -6.3511 -6.3511 2.3596 2.3596 2.3629 2.3629 3.4040 3.4040 3.5562 3.5562 3.7887 3.7887 3.8350 3.8350 4.0283 4.0283 4.0746 4.0746 5.4269 5.4269 5.4495 5.4495 5.7126 5.7126 5.7609 5.7609 10.4539 10.4539 10.5347 10.5347 10.7522 10.7522 10.8062 10.8062 11.2014 11.2014 k = 0.5000 0.0887 0.2060 ( 5088 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8300 -28.8300 -28.8285 -28.8285 -21.3600 -21.3600 -21.2723 -21.2723 -21.1096 -21.1096 -21.0255 -21.0255 -7.3898 -7.3898 -7.3892 -7.3892 -6.3646 -6.3646 -6.3314 -6.3314 2.3536 2.3536 2.3564 2.3564 3.3711 3.3711 3.5471 3.5471 3.7462 3.7462 3.8122 3.8122 4.0285 4.0285 4.0744 4.0744 5.4085 5.4085 5.4333 5.4333 5.7555 5.7555 5.8071 5.8071 10.4103 10.4103 10.5092 10.5092 10.7462 10.7462 10.8111 10.8111 11.1846 11.1846 k = 0.5000 0.0998 0.2060 ( 5092 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8303 -28.8303 -28.8286 -28.8286 -21.3649 -21.3649 -21.2677 -21.2677 -21.1155 -21.1155 -21.0223 -21.0223 -7.3877 -7.3877 -7.3870 -7.3870 -6.3466 -6.3466 -6.3098 -6.3098 2.3463 2.3463 2.3480 2.3480 3.3349 3.3349 3.5295 3.5295 3.7108 3.7108 3.7920 3.7920 4.0281 4.0281 4.0741 4.0741 5.3876 5.3876 5.4145 5.4145 5.7989 5.7989 5.8532 5.8532 10.3612 10.3612 10.4780 10.4780 10.7420 10.7420 10.8177 10.8177 11.1719 11.1719 k = 0.5000 0.1109 0.2060 ( 5092 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8306 -28.8306 -28.8288 -28.8288 -21.3696 -21.3696 -21.2636 -21.2636 -21.1211 -21.1211 -21.0193 -21.0193 -7.3854 -7.3854 -7.3847 -7.3847 -6.3266 -6.3266 -6.2862 -6.2862 2.3376 2.3376 2.3376 2.3376 3.2964 3.2964 3.5010 3.5010 3.6861 3.6861 3.7748 3.7748 4.0274 4.0274 4.0738 4.0738 5.3646 5.3646 5.3936 5.3936 5.8411 5.8411 5.8977 5.8977 10.3085 10.3085 10.4420 10.4420 10.7396 10.7396 10.8258 10.8258 11.1636 11.1636 k = 0.5000 0.1220 0.2060 ( 5096 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8309 -28.8309 -28.8290 -28.8290 -21.3742 -21.3742 -21.2599 -21.2599 -21.1263 -21.1263 -21.0166 -21.0166 -7.3830 -7.3830 -7.3822 -7.3822 -6.3045 -6.3045 -6.2608 -6.2608 2.3247 2.3247 2.3270 2.3270 3.2567 3.2567 3.4625 3.4625 3.6720 3.6720 3.7605 3.7605 4.0264 4.0264 4.0735 4.0735 5.3397 5.3397 5.3708 5.3708 5.8806 5.8806 5.9390 5.9390 10.2540 10.2540 10.4027 10.4027 10.7385 10.7385 10.8348 10.8348 11.1595 11.1595 k = 0.5000 0.1331 0.2060 ( 5096 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8313 -28.8313 -28.8292 -28.8292 -21.3786 -21.3786 -21.2570 -21.2570 -21.1310 -21.1310 -21.0143 -21.0143 -7.3803 -7.3803 -7.3795 -7.3795 -6.2805 -6.2805 -6.2337 -6.2337 2.3090 2.3090 2.3144 2.3144 3.2169 3.2169 3.4181 3.4181 3.6657 3.6657 3.7489 3.7489 4.0251 4.0251 4.0733 4.0733 5.3133 5.3133 5.3466 5.3466 5.9161 5.9161 5.9760 5.9760 10.1998 10.1998 10.3619 10.3619 10.7383 10.7383 10.8442 10.8442 11.1596 11.1596 k = 0.5000 0.1442 0.2060 ( 5100 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8316 -28.8316 -28.8295 -28.8295 -21.3827 -21.3827 -21.2548 -21.2548 -21.1350 -21.1350 -21.0122 -21.0122 -7.3775 -7.3775 -7.3767 -7.3767 -6.2548 -6.2548 -6.2050 -6.2050 2.2902 2.2902 2.2995 2.2995 3.1782 3.1782 3.3712 3.3712 3.6642 3.6642 3.7398 3.7398 4.0236 4.0236 4.0733 4.0733 5.2856 5.2856 5.3211 5.3211 5.9464 5.9464 6.0075 6.0075 10.1475 10.1475 10.3212 10.3212 10.7386 10.7386 10.8534 10.8534 11.1640 11.1640 k = 0.5000 0.1553 0.2060 ( 5084 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8319 -28.8319 -28.8297 -28.8297 -21.3866 -21.3866 -21.2536 -21.2536 -21.1381 -21.1381 -21.0104 -21.0104 -7.3746 -7.3746 -7.3737 -7.3737 -6.2274 -6.2274 -6.1750 -6.1750 2.2680 2.2680 2.2820 2.2820 3.1417 3.1417 3.3246 3.3246 3.6658 3.6658 3.7327 3.7327 4.0219 4.0219 4.0733 4.0733 5.2570 5.2570 5.2947 5.2947 5.9705 5.9705 6.0325 6.0325 10.0988 10.0988 10.2824 10.2824 10.7390 10.7390 10.8619 10.8619 11.1727 11.1727 k = 0.5000 0.1664 0.2060 ( 5072 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8322 -28.8322 -28.8299 -28.8299 -21.3903 -21.3903 -21.2533 -21.2533 -21.1403 -21.1403 -21.0089 -21.0089 -7.3715 -7.3715 -7.3707 -7.3707 -6.1985 -6.1985 -6.1437 -6.1437 2.2423 2.2423 2.2618 2.2618 3.1081 3.1081 3.2796 3.2796 3.6697 3.6697 3.7275 3.7275 4.0200 4.0200 4.0736 4.0736 5.2276 5.2276 5.2677 5.2677 5.9877 5.9877 6.0502 6.0502 10.0552 10.0552 10.2470 10.2470 10.7391 10.7391 10.8691 10.8691 11.1856 11.1856 k = 0.5000 0.1774 0.2060 ( 5076 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8326 -28.8326 -28.8302 -28.8302 -21.3937 -21.3937 -21.2543 -21.2543 -21.1415 -21.1415 -21.0078 -21.0078 -7.3684 -7.3684 -7.3675 -7.3675 -6.1683 -6.1683 -6.1114 -6.1114 2.2130 2.2130 2.2386 2.2386 3.0780 3.0780 3.2375 3.2375 3.6751 3.6751 3.7240 3.7240 4.0180 4.0180 4.0740 4.0740 5.1976 5.1976 5.2402 5.2402 5.9972 5.9972 6.0601 6.0601 10.0176 10.0176 10.2160 10.2160 10.7388 10.7388 10.8748 10.8748 11.2028 11.2028 k = 0.5000 0.1885 0.2060 ( 5080 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8330 -28.8330 -28.8305 -28.8305 -21.3969 -21.3969 -21.2563 -21.2563 -21.1416 -21.1416 -21.0069 -21.0069 -7.3652 -7.3652 -7.3643 -7.3643 -6.1369 -6.1369 -6.0782 -6.0782 2.1804 2.1804 2.2123 2.2123 3.0518 3.0518 3.1989 3.1989 3.6820 3.6820 3.7220 3.7220 4.0158 4.0158 4.0747 4.0747 5.1674 5.1674 5.2126 5.2126 5.9986 5.9986 6.0616 6.0616 9.9869 9.9869 10.1906 10.1906 10.7378 10.7378 10.8787 10.8787 11.2239 11.2239 k = 0.5000 0.1996 0.2060 ( 5076 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8333 -28.8333 -28.8309 -28.8309 -21.3997 -21.3997 -21.2594 -21.2594 -21.1407 -21.1407 -21.0063 -21.0063 -7.3619 -7.3619 -7.3611 -7.3611 -6.1044 -6.1044 -6.0443 -6.0443 2.1447 2.1447 2.1832 2.1832 3.0295 3.0295 3.1640 3.1640 3.6902 3.6902 3.7213 3.7213 4.0135 4.0135 4.0757 4.0757 5.1372 5.1372 5.1851 5.1851 5.9918 5.9918 6.0546 6.0546 9.9636 9.9636 10.1712 10.1712 10.7361 10.7361 10.8807 10.8807 11.2489 11.2489 k = 0.5000 0.2107 0.2060 ( 5084 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8337 -28.8337 -28.8312 -28.8312 -21.4024 -21.4024 -21.2635 -21.2635 -21.1390 -21.1390 -21.0060 -21.0060 -7.3586 -7.3586 -7.3578 -7.3578 -6.0712 -6.0712 -6.0099 -6.0099 2.1064 2.1064 2.1511 2.1511 3.0110 3.0110 3.1332 3.1332 3.6995 3.6995 3.7220 3.7220 4.0110 4.0110 4.0770 4.0770 5.1072 5.1072 5.1579 5.1579 5.9766 5.9766 6.0391 6.0391 9.9479 9.9479 10.1583 10.1583 10.7335 10.7335 10.8809 10.8809 11.2772 11.2772 k = 0.5000 0.2218 0.2060 ( 5080 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8340 -28.8340 -28.8315 -28.8315 -21.4047 -21.4047 -21.2683 -21.2683 -21.1365 -21.1365 -21.0060 -21.0060 -7.3553 -7.3553 -7.3545 -7.3545 -6.0373 -6.0373 -5.9753 -5.9753 2.0660 2.0660 2.1166 2.1166 2.9962 2.9962 3.1064 3.1064 3.7100 3.7100 3.7238 3.7238 4.0085 4.0085 4.0787 4.0787 5.0776 5.0776 5.1312 5.1312 5.9534 5.9534 6.0154 6.0154 9.9397 9.9397 10.1519 10.1519 10.7299 10.7299 10.8793 10.8793 11.3086 11.3086 k = 0.5000 0.2329 0.2060 ( 5088 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8344 -28.8344 -28.8319 -28.8319 -21.4067 -21.4067 -21.2738 -21.2738 -21.1333 -21.1333 -21.0063 -21.0063 -7.3519 -7.3519 -7.3512 -7.3512 -6.0030 -6.0030 -5.9407 -5.9407 2.0241 2.0241 2.0798 2.0798 2.9846 2.9846 3.0834 3.0834 3.7217 3.7217 3.7267 3.7267 4.0059 4.0059 4.0807 4.0807 5.0487 5.0487 5.1053 5.1053 5.9225 5.9225 5.9840 5.9840 9.9388 9.9388 10.1519 10.1519 10.7253 10.7253 10.8761 10.8761 11.3426 11.3426 k = 0.5000 0.2440 0.2060 ( 5096 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8348 -28.8348 -28.8323 -28.8323 -21.4084 -21.4084 -21.2798 -21.2798 -21.1297 -21.1297 -21.0069 -21.0069 -7.3487 -7.3487 -7.3480 -7.3480 -5.9684 -5.9684 -5.9062 -5.9062 1.9814 1.9814 2.0414 2.0414 2.9759 2.9759 3.0640 3.0640 3.7307 3.7307 3.7345 3.7345 4.0033 4.0033 4.0832 4.0832 5.0205 5.0205 5.0804 5.0804 5.8846 5.8846 5.9455 5.9455 9.9447 9.9447 10.1577 10.1577 10.7198 10.7198 10.8715 10.8715 11.3788 11.3788 k = 0.5000 0.2551 0.2060 ( 5104 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8351 -28.8351 -28.8327 -28.8327 -21.4098 -21.4098 -21.2861 -21.2861 -21.1257 -21.1257 -21.0077 -21.0077 -7.3454 -7.3454 -7.3448 -7.3448 -5.9339 -5.9339 -5.8722 -5.8722 1.9384 1.9384 2.0017 2.0017 2.9696 2.9696 3.0478 3.0478 3.7357 3.7357 3.7484 3.7484 4.0006 4.0006 4.0861 4.0861 4.9935 4.9935 5.0567 5.0567 5.8403 5.8403 5.9008 5.9008 9.9566 9.9566 10.1690 10.1690 10.7132 10.7132 10.8655 10.8655 11.4167 11.4167 k = 0.5000 0.2662 0.2060 ( 5104 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8354 -28.8354 -28.8331 -28.8331 -21.4108 -21.4108 -21.2927 -21.2927 -21.1214 -21.1214 -21.0088 -21.0088 -7.3423 -7.3423 -7.3417 -7.3417 -5.8997 -5.8997 -5.8388 -5.8388 1.8958 1.8958 1.9612 1.9612 2.9654 2.9654 3.0345 3.0345 3.7417 3.7417 3.7633 3.7633 3.9980 3.9980 4.0895 4.0895 4.9677 4.9677 5.0345 5.0345 5.7906 5.7906 5.8506 5.8506 9.9739 9.9739 10.1850 10.1850 10.7056 10.7056 10.8582 10.8582 11.4558 11.4558 k = 0.5000 0.2773 0.2060 ( 5096 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8356 -28.8356 -28.8334 -28.8334 -21.4115 -21.4115 -21.2994 -21.2994 -21.1168 -21.1168 -21.0101 -21.0101 -7.3392 -7.3392 -7.3386 -7.3386 -5.8658 -5.8658 -5.8064 -5.8064 1.8540 1.8540 1.9206 1.9206 2.9629 2.9629 3.0238 3.0238 3.7485 3.7485 3.7792 3.7792 3.9955 3.9955 4.0935 4.0935 4.9433 4.9433 5.0139 5.0139 5.7361 5.7361 5.7961 5.7961 9.9956 9.9956 10.2049 10.2049 10.6971 10.6971 10.8498 10.8498 11.4956 11.4956 k = 0.5000 0.2883 0.2060 ( 5096 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8359 -28.8359 -28.8337 -28.8337 -21.4118 -21.4118 -21.3063 -21.3063 -21.1121 -21.1121 -21.0116 -21.0116 -7.3363 -7.3363 -7.3357 -7.3357 -5.8327 -5.8327 -5.7751 -5.7751 1.8136 1.8136 1.8802 1.8802 2.9618 2.9618 3.0151 3.0151 3.7562 3.7562 3.7960 3.7960 3.9932 3.9932 4.0979 4.0979 4.9207 4.9207 4.9951 4.9951 5.6780 5.6780 5.7381 5.7381 10.0211 10.0211 10.2280 10.2280 10.6876 10.6876 10.8403 10.8403 11.5357 11.5357 k = 0.5000 0.2994 0.2060 ( 5100 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8361 -28.8361 -28.8341 -28.8341 -21.4118 -21.4118 -21.3131 -21.3131 -21.1073 -21.1073 -21.0134 -21.0134 -7.3335 -7.3335 -7.3330 -7.3330 -5.8006 -5.8006 -5.7452 -5.7452 1.7749 1.7749 1.8406 1.8406 2.9618 2.9618 3.0083 3.0083 3.7645 3.7645 3.8132 3.8132 3.9914 3.9914 4.1028 4.1028 4.9000 4.9000 4.9783 4.9783 5.6170 5.6170 5.6775 5.6775 10.0494 10.0494 10.2535 10.2535 10.6772 10.6772 10.8297 10.8297 11.5755 11.5755 k = 0.5000 0.3105 0.2060 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8363 -28.8363 -28.8344 -28.8344 -21.4114 -21.4114 -21.3200 -21.3200 -21.1023 -21.1023 -21.0154 -21.0154 -7.3308 -7.3308 -7.3303 -7.3303 -5.7696 -5.7696 -5.7169 -5.7169 1.7383 1.7383 1.8022 1.8022 2.9625 2.9625 3.0029 3.0029 3.7734 3.7734 3.8306 3.8306 3.9903 3.9903 4.1080 4.1080 4.8815 4.8815 4.9638 4.9638 5.5542 5.5542 5.6155 5.6155 10.0799 10.0799 10.2807 10.2807 10.6661 10.6661 10.8182 10.8182 11.6146 11.6146 k = 0.5000 0.3216 0.2060 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8365 -28.8365 -28.8347 -28.8347 -21.4107 -21.4107 -21.3267 -21.3267 -21.0974 -21.0974 -21.0177 -21.0177 -7.3283 -7.3283 -7.3279 -7.3279 -5.7400 -5.7400 -5.6905 -5.6905 1.7043 1.7043 1.7654 1.7654 2.9640 2.9640 2.9988 2.9988 3.7828 3.7828 3.8475 3.8475 3.9904 3.9904 4.1135 4.1135 4.8655 4.8655 4.9517 4.9517 5.4904 5.4904 5.5527 5.5527 10.1119 10.1119 10.3088 10.3088 10.6542 10.6542 10.8058 10.8058 11.6525 11.6525 k = 0.5000 0.3327 0.2060 ( 5096 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8367 -28.8367 -28.8351 -28.8351 -21.4097 -21.4097 -21.3334 -21.3334 -21.0925 -21.0925 -21.0202 -21.0202 -7.3260 -7.3260 -7.3256 -7.3256 -5.7122 -5.7122 -5.6662 -5.6662 1.6730 1.6730 1.7305 1.7305 2.9658 2.9658 2.9956 2.9956 3.7926 3.7926 3.8632 3.8632 3.9924 3.9924 4.1190 4.1190 4.8523 4.8523 4.9423 4.9423 5.4265 5.4265 5.4902 5.4902 10.1447 10.1447 10.3370 10.3370 10.6419 10.6419 10.7925 10.7925 11.6886 11.6886 k = 0.5000 0.3438 0.2060 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8368 -28.8368 -28.8353 -28.8353 -21.4082 -21.4082 -21.3400 -21.3400 -21.0876 -21.0876 -21.0228 -21.0228 -7.3239 -7.3239 -7.3235 -7.3235 -5.6862 -5.6862 -5.6441 -5.6441 1.6448 1.6448 1.6979 1.6979 2.9679 2.9679 2.9932 2.9932 3.8025 3.8025 3.8765 3.8765 3.9971 3.9971 4.1242 4.1242 4.8423 4.8423 4.9356 4.9356 5.3633 5.3633 5.4288 5.4288 10.1778 10.1778 10.3647 10.3647 10.6293 10.6293 10.7783 10.7783 11.7227 11.7227 k = 0.5000 0.3549 0.2060 ( 5088 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8369 -28.8369 -28.8356 -28.8356 -21.4064 -21.4064 -21.3463 -21.3463 -21.0827 -21.0827 -21.0257 -21.0257 -7.3220 -7.3220 -7.3217 -7.3217 -5.6623 -5.6623 -5.6245 -5.6245 1.6199 1.6199 1.6679 1.6679 2.9701 2.9701 2.9913 2.9913 3.8126 3.8126 3.8864 3.8864 4.0051 4.0051 4.1289 4.1289 4.8360 4.8360 4.9319 4.9319 5.3016 5.3016 5.3692 5.3692 10.2108 10.2108 10.3908 10.3908 10.6170 10.6170 10.7632 10.7632 11.7541 11.7541 k = 0.5000 0.3660 0.2060 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8370 -28.8370 -28.8359 -28.8359 -21.4043 -21.4043 -21.3525 -21.3525 -21.0779 -21.0779 -21.0288 -21.0288 -7.3203 -7.3203 -7.3200 -7.3200 -5.6407 -5.6407 -5.6076 -5.6076 1.5985 1.5985 1.6408 1.6408 2.9724 2.9724 2.9899 2.9899 3.8225 3.8225 3.8925 3.8925 4.0168 4.0168 4.1326 4.1326 4.8336 4.8336 4.9312 4.9312 5.2425 5.2425 5.3121 5.3121 10.2433 10.2433 10.4142 10.4142 10.6058 10.6058 10.7473 10.7473 11.7827 11.7827 k = 0.5000 0.3771 0.2060 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8371 -28.8371 -28.8361 -28.8361 -21.4018 -21.4018 -21.3584 -21.3584 -21.0731 -21.0731 -21.0321 -21.0321 -7.3189 -7.3189 -7.3186 -7.3186 -5.6216 -5.6216 -5.5935 -5.5935 1.5807 1.5807 1.6169 1.6169 2.9746 2.9746 2.9887 2.9887 3.8323 3.8323 3.8948 3.8948 4.0314 4.0314 4.1347 4.1347 4.8357 4.8357 4.9334 4.9334 5.1870 5.1870 5.2583 5.2583 10.2749 10.2749 10.4331 10.4331 10.5973 10.5973 10.7307 10.7307 11.8080 11.8080 k = 0.5000 0.3882 0.2060 ( 5092 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8371 -28.8371 -28.8363 -28.8363 -21.3989 -21.3989 -21.3641 -21.3641 -21.0685 -21.0685 -21.0355 -21.0355 -7.3177 -7.3177 -7.3175 -7.3175 -5.6051 -5.6051 -5.5824 -5.5824 1.5668 1.5668 1.5962 1.5962 2.9767 2.9767 2.9877 2.9877 3.8418 3.8418 3.8943 3.8943 4.0479 4.0479 4.1349 4.1349 4.8425 4.8425 4.9379 4.9379 5.1364 5.1364 5.2085 5.2085 10.3054 10.3054 10.4451 10.4451 10.5936 10.5936 10.7132 10.7132 11.8298 11.8298 k = 0.5000 0.3992 0.2060 ( 5096 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8371 -28.8371 -28.8365 -28.8365 -21.3957 -21.3957 -21.3695 -21.3695 -21.0639 -21.0639 -21.0391 -21.0391 -7.3167 -7.3167 -7.3166 -7.3166 -5.5915 -5.5915 -5.5743 -5.5743 1.5567 1.5567 1.5791 1.5791 2.9787 2.9787 2.9867 2.9867 3.8510 3.8510 3.8916 3.8916 4.0649 4.0649 4.1327 4.1327 4.8543 4.8543 4.9430 4.9430 5.0935 5.0935 5.1633 5.1633 10.3344 10.3344 10.4479 10.4479 10.5967 10.5967 10.6951 10.6951 11.8480 11.8480 k = 0.5000 0.4103 0.2060 ( 5088 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8371 -28.8371 -28.8367 -28.8367 -21.3921 -21.3921 -21.3746 -21.3746 -21.0594 -21.0594 -21.0429 -21.0429 -7.3160 -7.3160 -7.3159 -7.3159 -5.5808 -5.5808 -5.5692 -5.5692 1.5505 1.5505 1.5656 1.5656 2.9804 2.9804 2.9857 2.9857 3.8596 3.8596 3.8872 3.8872 4.0813 4.0813 4.1278 4.1278 4.8709 4.8709 4.9441 4.9441 5.0637 5.0637 5.1234 5.1234 10.3616 10.3616 10.4416 10.4416 10.6067 10.6067 10.6765 10.6765 11.8623 11.8623 k = 0.5000 0.4214 0.2060 ( 5084 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8368 -28.8368 -21.3882 -21.3882 -21.3795 -21.3795 -21.0551 -21.0551 -21.0468 -21.0468 -7.3156 -7.3156 -7.3156 -7.3156 -5.5732 -5.5732 -5.5674 -5.5674 1.5484 1.5484 1.5560 1.5560 2.9820 2.9820 2.9846 2.9846 3.8676 3.8676 3.8816 3.8816 4.0964 4.0964 4.1201 4.1201 4.8916 4.8916 4.9344 4.9344 5.0543 5.0543 5.0901 5.0901 10.3867 10.3867 10.4279 10.4279 10.6216 10.6216 10.6576 10.6576 11.8726 11.8726 k = 0.5000 0.4325 0.2060 ( 5080 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5687 -5.5687 -5.5687 -5.5687 1.5502 1.5502 1.5502 1.5502 2.9834 2.9834 2.9834 2.9834 3.8750 3.8750 3.8750 3.8750 4.1095 4.1095 4.1095 4.1095 4.9144 4.9144 4.9144 4.9144 5.0655 5.0655 5.0655 5.0655 10.4092 10.4092 10.4092 10.4092 10.6390 10.6390 10.6390 10.6390 11.8789 11.8789 k = 0.5000 0.4325 0.2060 ( 5080 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5687 -5.5687 -5.5687 -5.5687 1.5502 1.5502 1.5502 1.5502 2.9834 2.9834 2.9834 2.9834 3.8750 3.8750 3.8750 3.8750 4.1095 4.1095 4.1095 4.1095 4.9144 4.9144 4.9144 4.9144 5.0655 5.0655 5.0655 5.0655 10.4092 10.4092 10.4092 10.4092 10.6390 10.6390 10.6390 10.6390 11.8789 11.8789 k = 0.4889 0.4325 0.2060 ( 5092 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8372 -28.8372 -28.8366 -28.8366 -21.3892 -21.3892 -21.3785 -21.3785 -21.0556 -21.0556 -21.0463 -21.0463 -7.3168 -7.3168 -7.3148 -7.3148 -5.5733 -5.5733 -5.5653 -5.5653 1.5507 1.5507 1.5525 1.5525 2.9844 2.9844 2.9851 2.9851 3.8720 3.8720 3.8726 3.8726 4.1065 4.1065 4.1134 4.1134 4.9046 4.9046 4.9222 4.9222 5.0571 5.0571 5.0753 5.0753 10.3951 10.3951 10.4213 10.4213 10.6189 10.6189 10.6625 10.6625 11.8619 11.8619 k = 0.4778 0.4325 0.2060 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8374 -28.8374 -28.8363 -28.8363 -21.3939 -21.3939 -21.3726 -21.3726 -21.0603 -21.0603 -21.0417 -21.0417 -7.3189 -7.3189 -7.3150 -7.3150 -5.5788 -5.5788 -5.5630 -5.5630 1.5541 1.5541 1.5577 1.5577 2.9882 2.9882 2.9895 2.9895 3.8639 3.8639 3.8649 3.8649 4.1040 4.1040 4.1176 4.1176 4.8939 4.8939 4.9269 4.9269 5.0512 5.0512 5.0856 5.0856 10.3802 10.3802 10.4294 10.4294 10.6039 10.6039 10.6879 10.6879 11.8425 11.8425 k = 0.4667 0.4325 0.2060 ( 5104 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8375 -28.8375 -28.8359 -28.8359 -21.3984 -21.3984 -21.3664 -21.3664 -21.0652 -21.0652 -21.0373 -21.0373 -7.3217 -7.3217 -7.3158 -7.3158 -5.5854 -5.5854 -5.5617 -5.5617 1.5603 1.5603 1.5657 1.5657 2.9946 2.9946 2.9967 2.9967 3.8513 3.8513 3.8528 3.8528 4.1014 4.1014 4.1212 4.1212 4.8831 4.8831 4.9279 4.9279 5.0485 5.0485 5.0958 5.0958 10.3654 10.3654 10.4310 10.4310 10.5966 10.5966 10.7143 10.7143 11.8226 11.8226 k = 0.4556 0.4325 0.2060 ( 5092 PWs) bands (ev): -54.4588 -54.4588 -54.4588 -54.4588 -28.8375 -28.8375 -28.8353 -28.8353 -21.4023 -21.4023 -21.3597 -21.3597 -21.0701 -21.0701 -21.0329 -21.0329 -7.3252 -7.3252 -7.3174 -7.3174 -5.5930 -5.5930 -5.5616 -5.5616 1.5693 1.5693 1.5765 1.5765 3.0037 3.0037 3.0068 3.0068 3.8354 3.8354 3.8371 3.8371 4.0976 4.0976 4.1230 4.1230 4.8732 4.8732 4.9252 4.9252 5.0495 5.0495 5.1053 5.1053 10.3509 10.3509 10.4245 10.4245 10.5982 10.5982 10.7413 10.7413 11.8038 11.8038 k = 0.4444 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8375 -28.8375 -28.8348 -28.8348 -21.4059 -21.4059 -21.3527 -21.3527 -21.0751 -21.0751 -21.0286 -21.0286 -7.3295 -7.3295 -7.3197 -7.3197 -5.6016 -5.6016 -5.5625 -5.5625 1.5809 1.5809 1.5900 1.5900 3.0154 3.0154 3.0197 3.0197 3.8172 3.8172 3.8188 3.8188 4.0915 4.0915 4.1219 4.1219 4.8647 4.8647 4.9194 4.9194 5.0534 5.0534 5.1140 5.1140 10.3367 10.3367 10.4104 10.4104 10.6078 10.6078 10.7681 10.7681 11.7877 11.7877 k = 0.4333 0.4325 0.2060 ( 5100 PWs) bands (ev): -54.4589 -54.4589 -54.4589 -54.4589 -28.8375 -28.8375 -28.8342 -28.8342 -21.4091 -21.4091 -21.3454 -21.3454 -21.0801 -21.0801 -21.0244 -21.0244 -7.3344 -7.3344 -7.3228 -7.3228 -5.6110 -5.6110 -5.5644 -5.5644 1.5950 1.5950 1.6059 1.6059 3.0297 3.0297 3.0357 3.0357 3.7976 3.7976 3.7985 3.7985 4.0822 4.0822 4.1167 4.1167 4.8580 4.8580 4.9114 4.9114 5.0598 5.0598 5.1217 5.1217 10.3229 10.3229 10.3908 10.3908 10.6231 10.6231 10.7945 10.7945 11.7754 11.7754 k = 0.4222 0.4325 0.2060 ( 5100 PWs) bands (ev): -54.4590 -54.4590 -54.4590 -54.4590 -28.8373 -28.8373 -28.8335 -28.8335 -21.4118 -21.4118 -21.3377 -21.3377 -21.0852 -21.0852 -21.0203 -21.0203 -7.3401 -7.3401 -7.3266 -7.3266 -5.6212 -5.6212 -5.5674 -5.5674 1.6115 1.6115 1.6243 1.6243 3.0466 3.0466 3.0546 3.0546 3.7769 3.7769 3.7774 3.7774 4.0692 4.0692 4.1070 4.1070 4.8532 4.8532 4.9021 4.9021 5.0680 5.0680 5.1287 5.1287 10.3094 10.3094 10.3676 10.3676 10.6420 10.6420 10.8201 10.8201 11.7678 11.7678 k = 0.4111 0.4325 0.2060 ( 5104 PWs) bands (ev): -54.4591 -54.4591 -54.4591 -54.4591 -28.8371 -28.8371 -28.8328 -28.8328 -21.4142 -21.4142 -21.3298 -21.3298 -21.0903 -21.0903 -21.0163 -21.0163 -7.3464 -7.3464 -7.3311 -7.3311 -5.6321 -5.6321 -5.5713 -5.5713 1.6302 1.6302 1.6448 1.6448 3.0659 3.0659 3.0767 3.0767 3.7546 3.7546 3.7573 3.7573 4.0520 4.0520 4.0923 4.0923 4.8501 4.8501 4.8916 4.8916 5.0778 5.0778 5.1351 5.1351 10.2959 10.2959 10.3419 10.3419 10.6629 10.6629 10.8445 10.8445 11.7655 11.7655 k = 0.4000 0.4325 0.2060 ( 5112 PWs) bands (ev): -54.4592 -54.4592 -54.4592 -54.4592 -28.8368 -28.8368 -28.8321 -28.8321 -21.4162 -21.4162 -21.3216 -21.3216 -21.0955 -21.0955 -21.0124 -21.0124 -7.3534 -7.3534 -7.3364 -7.3364 -5.6437 -5.6437 -5.5762 -5.5762 1.6510 1.6510 1.6675 1.6675 3.0875 3.0875 3.1019 3.1019 3.7318 3.7318 3.7380 3.7380 4.0305 4.0305 4.0725 4.0725 4.8481 4.8481 4.8800 4.8800 5.0891 5.0891 5.1415 5.1415 10.2822 10.2822 10.3147 10.3147 10.6850 10.6850 10.8676 10.8676 11.7687 11.7687 k = 0.3889 0.4325 0.2060 ( 5124 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8365 -28.8365 -28.8314 -28.8314 -21.4179 -21.4179 -21.3131 -21.3131 -21.1008 -21.1008 -21.0086 -21.0086 -7.3611 -7.3611 -7.3423 -7.3423 -5.6559 -5.6559 -5.5819 -5.5819 1.6736 1.6736 1.6919 1.6919 3.1112 3.1112 3.1302 3.1302 3.7092 3.7092 3.7202 3.7202 4.0050 4.0050 4.0481 4.0481 4.8463 4.8463 4.8670 4.8670 5.1020 5.1020 5.1483 5.1483 10.2682 10.2682 10.2865 10.2865 10.7075 10.7075 10.8893 10.8893 11.7775 11.7775 k = 0.3778 0.4325 0.2060 ( 5124 PWs) bands (ev): -54.4594 -54.4594 -54.4594 -54.4594 -28.8361 -28.8361 -28.8305 -28.8305 -21.4191 -21.4191 -21.3043 -21.3043 -21.1061 -21.1061 -21.0049 -21.0049 -7.3694 -7.3694 -7.3490 -7.3490 -5.6685 -5.6685 -5.5885 -5.5885 1.6978 1.6978 1.7181 1.7181 3.1366 3.1366 3.1616 3.1616 3.6868 3.6868 3.7043 3.7043 3.9759 3.9759 4.0193 4.0193 4.8437 4.8437 4.8523 4.8523 5.1164 5.1164 5.1563 5.1563 10.2537 10.2537 10.2576 10.2576 10.7300 10.7300 10.9095 10.9095 11.7916 11.7916 k = 0.3667 0.4325 0.2060 ( 5120 PWs) bands (ev): -54.4595 -54.4595 -54.4595 -54.4595 -28.8356 -28.8356 -28.8297 -28.8297 -21.4200 -21.4200 -21.2953 -21.2953 -21.1113 -21.1113 -21.0013 -21.0013 -7.3783 -7.3783 -7.3564 -7.3564 -5.6816 -5.6816 -5.5957 -5.5957 1.7236 1.7236 1.7457 1.7457 3.1630 3.1630 3.1959 3.1959 3.6652 3.6652 3.6911 3.6911 3.9436 3.9436 3.9869 3.9869 4.8357 4.8357 4.8391 4.8391 5.1324 5.1324 5.1659 5.1659 10.2286 10.2286 10.2387 10.2387 10.7523 10.7523 10.9283 10.9283 11.8107 11.8107 k = 0.3556 0.4325 0.2060 ( 5124 PWs) bands (ev): -54.4597 -54.4597 -54.4597 -54.4597 -28.8351 -28.8351 -28.8288 -28.8288 -21.4205 -21.4205 -21.2861 -21.2861 -21.1166 -21.1166 -20.9978 -20.9978 -7.3878 -7.3878 -7.3644 -7.3644 -5.6949 -5.6949 -5.6037 -5.6037 1.7506 1.7506 1.7745 1.7745 3.1899 3.1899 3.2329 3.2329 3.6448 3.6448 3.6813 3.6813 3.9090 3.9090 3.9515 3.9515 4.8169 4.8169 4.8317 4.8317 5.1497 5.1497 5.1776 5.1776 10.1998 10.1998 10.2232 10.2232 10.7739 10.7739 10.9458 10.9458 11.8342 11.8342 k = 0.3444 0.4325 0.2060 ( 5120 PWs) bands (ev): -54.4598 -54.4598 -54.4598 -54.4598 -28.8345 -28.8345 -28.8279 -28.8279 -21.4206 -21.4206 -21.2767 -21.2767 -21.1219 -21.1219 -20.9944 -20.9944 -7.3978 -7.3978 -7.3731 -7.3731 -5.7084 -5.7084 -5.6123 -5.6123 1.7788 1.7788 1.8045 1.8045 3.2161 3.2161 3.2719 3.2719 3.6260 3.6260 3.6756 3.6756 3.8730 3.8730 3.9139 3.9139 4.7958 4.7958 4.8210 4.8210 5.1682 5.1682 5.1915 5.1915 10.1717 10.1717 10.2073 10.2073 10.7947 10.7947 10.9621 10.9621 11.8615 11.8615 k = 0.3333 0.4325 0.2060 ( 5120 PWs) bands (ev): -54.4600 -54.4600 -54.4600 -54.4600 -28.8339 -28.8339 -28.8269 -28.8269 -21.4204 -21.4204 -21.2673 -21.2673 -21.1272 -21.1272 -20.9912 -20.9912 -7.4084 -7.4084 -7.3824 -7.3824 -5.7220 -5.7220 -5.6214 -5.6214 1.8079 1.8079 1.8354 1.8354 3.2403 3.2403 3.3120 3.3120 3.6099 3.6099 3.6741 3.6741 3.8375 3.8375 3.8747 3.8747 4.7723 4.7723 4.8065 4.8065 5.1875 5.1875 5.2076 5.2076 10.1444 10.1444 10.1912 10.1912 10.8144 10.8144 10.9773 10.9773 11.8917 11.8917 k = 0.3222 0.4325 0.2060 ( 5120 PWs) bands (ev): -54.4601 -54.4601 -54.4601 -54.4601 -28.8332 -28.8332 -28.8260 -28.8260 -21.4199 -21.4199 -21.2577 -21.2577 -21.1324 -21.1324 -20.9880 -20.9880 -7.4194 -7.4194 -7.3924 -7.3924 -5.7356 -5.7356 -5.6310 -5.6310 1.8379 1.8379 1.8670 1.8670 3.2614 3.2614 3.3510 3.3510 3.5981 3.5981 3.6748 3.6748 3.8062 3.8062 3.8351 3.8351 4.7465 4.7465 4.7882 4.7882 5.2074 5.2074 5.2255 5.2255 10.1184 10.1184 10.1751 10.1751 10.8328 10.8328 10.9912 10.9912 11.9241 11.9241 k = 0.3111 0.4325 0.2060 ( 5124 PWs) bands (ev): -54.4603 -54.4603 -54.4603 -54.4603 -28.8325 -28.8325 -28.8250 -28.8250 -21.4190 -21.4190 -21.2482 -21.2482 -21.1375 -21.1375 -20.9850 -20.9850 -7.4309 -7.4309 -7.4029 -7.4029 -5.7491 -5.7491 -5.6411 -5.6411 1.8686 1.8686 1.8993 1.8993 3.2780 3.2780 3.3854 3.3854 3.5931 3.5931 3.6707 3.6707 3.7877 3.7877 3.7965 3.7965 4.7184 4.7184 4.7664 4.7664 5.2275 5.2275 5.2448 5.2448 10.0939 10.0939 10.1593 10.1593 10.8499 10.8499 11.0040 11.0040 11.9477 11.9477 k = 0.3000 0.4325 0.2060 ( 5128 PWs) bands (ev): -54.4604 -54.4604 -54.4604 -54.4604 -28.8317 -28.8317 -28.8241 -28.8241 -21.4178 -21.4178 -21.2387 -21.2387 -21.1425 -21.1425 -20.9822 -20.9822 -7.4428 -7.4428 -7.4139 -7.4139 -5.7625 -5.7625 -5.6515 -5.6515 1.8999 1.8999 1.9321 1.9321 3.2897 3.2897 3.4098 3.4098 3.5972 3.5972 3.6518 3.6518 3.7623 3.7623 3.7929 3.7929 4.6881 4.6881 4.7413 4.7413 5.2476 5.2476 5.2652 5.2652 10.0712 10.0712 10.1440 10.1440 10.8653 10.8653 11.0157 11.0157 11.9671 11.9671 k = 0.2889 0.4325 0.2060 ( 5120 PWs) bands (ev): -54.4606 -54.4606 -54.4606 -54.4606 -28.8309 -28.8309 -28.8231 -28.8231 -21.4163 -21.4163 -21.2294 -21.2294 -21.1471 -21.1471 -20.9794 -20.9794 -7.4550 -7.4550 -7.4254 -7.4254 -5.7757 -5.7757 -5.6623 -5.6623 1.9318 1.9318 1.9653 1.9653 3.2964 3.2964 3.4208 3.4208 3.6056 3.6056 3.6199 3.6199 3.7409 3.7409 3.8204 3.8204 4.6559 4.6559 4.7132 4.7132 5.2673 5.2673 5.2861 5.2861 10.0504 10.0504 10.1294 10.1294 10.8791 10.8791 11.0260 11.0260 11.9851 11.9851 k = 0.2778 0.4325 0.2060 ( 5112 PWs) bands (ev): -54.4607 -54.4607 -54.4607 -54.4607 -28.8300 -28.8300 -28.8221 -28.8221 -21.4145 -21.4145 -21.2205 -21.2205 -21.1513 -21.1513 -20.9769 -20.9769 -7.4675 -7.4675 -7.4374 -7.4374 -5.7885 -5.7885 -5.6732 -5.6732 1.9641 1.9641 1.9988 1.9988 3.2989 3.2989 3.4202 3.4202 3.5820 3.5820 3.6005 3.6005 3.7485 3.7485 3.8625 3.8625 4.6218 4.6218 4.6826 4.6826 5.2864 5.2864 5.3071 5.3071 10.0316 10.0316 10.1157 10.1157 10.8911 10.8911 11.0352 11.0352 12.0005 12.0005 k = 0.2667 0.4325 0.2060 ( 5100 PWs) bands (ev): -54.4609 -54.4609 -54.4609 -54.4609 -28.8291 -28.8291 -28.8211 -28.8211 -21.4124 -21.4124 -21.2125 -21.2125 -21.1546 -21.1546 -20.9745 -20.9745 -7.4802 -7.4802 -7.4498 -7.4498 -5.8009 -5.8009 -5.6844 -5.6844 1.9969 1.9969 2.0326 2.0326 3.2978 3.2978 3.4122 3.4122 3.5421 3.5421 3.5761 3.5761 3.7866 3.7866 3.9145 3.9145 4.5863 4.5863 4.6500 4.6500 5.3048 5.3048 5.3279 5.3279 10.0150 10.0150 10.1031 10.1031 10.9014 10.9014 11.0430 11.0430 12.0120 12.0120 k = 0.2556 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4611 -54.4611 -54.4611 -54.4611 -28.8282 -28.8282 -28.8201 -28.8201 -21.4100 -21.4100 -21.2059 -21.2059 -21.1565 -21.1565 -20.9722 -20.9722 -7.4931 -7.4931 -7.4624 -7.4624 -5.8129 -5.8129 -5.6957 -5.6957 2.0301 2.0301 2.0667 2.0667 3.2938 3.2938 3.4001 3.4001 3.5021 3.5021 3.5428 3.5428 3.8412 3.8412 3.9737 3.9737 4.5495 4.5495 4.6159 4.6159 5.3221 5.3221 5.3483 5.3483 10.0005 10.0005 10.0916 10.0916 10.9100 10.9100 11.0496 11.0496 12.0185 12.0185 k = 0.2444 0.4325 0.2060 ( 5100 PWs) bands (ev): -54.4613 -54.4613 -54.4612 -54.4612 -28.8273 -28.8273 -28.8192 -28.8192 -21.4075 -21.4075 -21.2016 -21.2016 -21.1561 -21.1561 -20.9702 -20.9702 -7.5061 -7.5061 -7.4754 -7.4754 -5.8245 -5.8245 -5.7071 -5.7071 2.0636 2.0636 2.1009 2.1009 3.2876 3.2876 3.3853 3.3853 3.4631 3.4631 3.5075 3.5075 3.9035 3.9035 4.0379 4.0379 4.5123 4.5123 4.5811 4.5811 5.3383 5.3383 5.3680 5.3680 9.9880 9.9880 10.0813 10.0813 10.9169 10.9169 11.0550 11.0550 12.0189 12.0189 k = 0.2333 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4614 -54.4614 -54.4614 -54.4614 -28.8263 -28.8263 -28.8183 -28.8183 -21.4046 -21.4046 -21.2003 -21.2003 -21.1529 -21.1529 -20.9683 -20.9683 -7.5191 -7.5191 -7.4886 -7.4886 -5.8354 -5.8354 -5.7186 -5.7186 2.0976 2.0976 2.1353 2.1353 3.2792 3.2792 3.3685 3.3685 3.4259 3.4259 3.4729 3.4729 3.9690 3.9690 4.1050 4.1050 4.4757 4.4757 4.5467 4.5467 5.3532 5.3532 5.3868 5.3868 9.9774 9.9774 10.0721 10.0721 10.9223 10.9223 11.0594 11.0594 12.0122 12.0122 k = 0.2222 0.4325 0.2060 ( 5108 PWs) bands (ev): -54.4616 -54.4616 -54.4616 -54.4616 -28.8254 -28.8254 -28.8175 -28.8175 -21.4016 -21.4016 -21.2015 -21.2015 -21.1472 -21.1472 -20.9667 -20.9667 -7.5321 -7.5321 -7.5018 -7.5018 -5.8458 -5.8458 -5.7300 -5.7300 2.1318 2.1318 2.1697 2.1697 3.2686 3.2686 3.3496 3.3496 3.3917 3.3917 3.4410 3.4410 4.0341 4.0341 4.1709 4.1709 4.4428 4.4428 4.5147 4.5147 5.3669 5.3669 5.4048 5.4048 9.9684 9.9684 10.0638 10.0638 10.9263 10.9263 11.0628 11.0628 11.9981 11.9981 k = 0.2111 0.4325 0.2060 ( 5116 PWs) bands (ev): -54.4618 -54.4618 -54.4618 -54.4618 -28.8245 -28.8245 -28.8167 -28.8167 -21.3984 -21.3984 -21.2045 -21.2045 -21.1397 -21.1397 -20.9653 -20.9653 -7.5450 -7.5450 -7.5152 -7.5152 -5.8555 -5.8555 -5.7414 -5.7414 2.1663 2.1663 2.2042 2.2042 3.2552 3.2552 3.3282 3.3282 3.3616 3.3616 3.4128 3.4128 4.0942 4.0942 4.2261 4.2261 4.4226 4.4226 4.4888 4.4888 5.3792 5.3792 5.4217 5.4217 9.9609 9.9609 10.0562 10.0562 10.9291 10.9291 11.0653 11.0653 11.9764 11.9764 k = 0.2000 0.4325 0.2060 ( 5112 PWs) bands (ev): -54.4619 -54.4619 -54.4619 -54.4619 -28.8235 -28.8235 -28.8159 -28.8159 -21.3949 -21.3949 -21.2086 -21.2086 -21.1313 -21.1313 -20.9641 -20.9641 -7.5577 -7.5577 -7.5285 -7.5285 -5.8646 -5.8646 -5.7528 -5.7528 2.2011 2.2011 2.2387 2.2387 3.2383 3.2383 3.3045 3.3045 3.3369 3.3369 3.3890 3.3890 4.1418 4.1418 4.2491 4.2491 4.4358 4.4358 4.4760 4.4760 5.3903 5.3903 5.4377 5.4377 9.9546 9.9546 10.0492 10.0492 10.9308 10.9308 11.0671 11.0671 11.9475 11.9475 k = 0.1889 0.4325 0.2060 ( 5108 PWs) bands (ev): -54.4621 -54.4621 -54.4621 -54.4621 -28.8226 -28.8226 -28.8151 -28.8151 -21.3912 -21.3912 -21.2133 -21.2133 -21.1224 -21.1224 -20.9631 -20.9631 -7.5702 -7.5702 -7.5418 -7.5418 -5.8730 -5.8730 -5.7639 -5.7639 2.2360 2.2360 2.2730 2.2730 3.2179 3.2179 3.2792 3.2792 3.3179 3.3179 3.3693 3.3693 4.1668 4.1668 4.2333 4.2333 4.4855 4.4855 4.4886 4.4886 5.4000 5.4000 5.4528 5.4528 9.9489 9.9489 10.0423 10.0423 10.9315 10.9315 11.0682 11.0682 11.9125 11.9125 k = 0.1778 0.4325 0.2060 ( 5116 PWs) bands (ev): -54.4622 -54.4622 -54.4622 -54.4622 -28.8216 -28.8216 -28.8144 -28.8144 -21.3874 -21.3874 -21.2184 -21.2184 -21.1134 -21.1134 -20.9623 -20.9623 -7.5824 -7.5824 -7.5549 -7.5549 -5.8807 -5.8807 -5.7750 -5.7750 2.2710 2.2710 2.3070 2.3070 3.1953 3.1953 3.2535 3.2535 3.3039 3.3039 3.3528 3.3528 4.1647 4.1647 4.1982 4.1982 4.5213 4.5213 4.5608 4.5608 5.4086 5.4086 5.4670 5.4670 9.9437 9.9437 10.0352 10.0352 10.9314 10.9314 11.0684 11.0684 11.8727 11.8727 k = 0.1667 0.4325 0.2060 ( 5112 PWs) bands (ev): -54.4624 -54.4624 -54.4624 -54.4624 -28.8207 -28.8207 -28.8137 -28.8137 -21.3833 -21.3833 -21.2237 -21.2237 -21.1042 -21.1042 -20.9619 -20.9619 -7.5942 -7.5942 -7.5677 -7.5677 -5.8876 -5.8876 -5.7858 -5.7858 2.3058 2.3058 2.3405 2.3405 3.1720 3.1720 3.2287 3.2287 3.2936 3.2936 3.3388 3.3388 4.1418 4.1418 4.1557 4.1557 4.5769 4.5769 4.6400 4.6400 5.4160 5.4160 5.4806 5.4806 9.9384 9.9384 10.0276 10.0276 10.9305 10.9305 11.0676 11.0676 11.8297 11.8297 k = 0.1556 0.4325 0.2060 ( 5104 PWs) bands (ev): -54.4625 -54.4625 -54.4625 -54.4625 -28.8197 -28.8197 -28.8131 -28.8131 -21.3791 -21.3791 -21.2291 -21.2291 -21.0950 -21.0950 -20.9616 -20.9616 -7.6055 -7.6055 -7.5802 -7.5802 -5.8938 -5.8938 -5.7964 -5.7964 2.3403 2.3403 2.3734 2.3734 3.1496 3.1496 3.2058 3.2058 3.2860 3.2860 3.3265 3.3265 4.1064 4.1064 4.1096 4.1096 4.6430 4.6430 4.7216 4.7216 5.4225 5.4225 5.4936 5.4936 9.9327 9.9327 10.0191 10.0191 10.9287 10.9287 11.0654 11.0654 11.7857 11.7857 k = 0.1444 0.4325 0.2060 ( 5104 PWs) bands (ev): -54.4627 -54.4627 -54.4627 -54.4627 -28.8188 -28.8188 -28.8125 -28.8125 -21.3748 -21.3748 -21.2347 -21.2347 -21.0860 -21.0860 -20.9617 -20.9617 -7.6163 -7.6163 -7.5923 -7.5923 -5.8993 -5.8993 -5.8067 -5.8067 2.3742 2.3742 2.4053 2.4053 3.1290 3.1290 3.1853 3.1853 3.2805 3.2805 3.3158 3.3158 4.0616 4.0616 4.0640 4.0640 4.7137 4.7137 4.8035 4.8035 5.4283 5.4283 5.5062 5.5062 9.9264 9.9264 10.0095 10.0095 10.9261 10.9261 11.0614 11.0614 11.7426 11.7426 k = 0.1333 0.4325 0.2060 ( 5080 PWs) bands (ev): -54.4628 -54.4628 -54.4628 -54.4628 -28.8179 -28.8179 -28.8119 -28.8119 -21.3702 -21.3702 -21.2403 -21.2403 -21.0770 -21.0770 -20.9620 -20.9620 -7.6265 -7.6265 -7.6040 -7.6040 -5.9040 -5.9040 -5.8167 -5.8167 2.4071 2.4071 2.4359 2.4359 3.1111 3.1111 3.1679 3.1679 3.2766 3.2766 3.3065 3.3065 4.0123 4.0123 4.0175 4.0175 4.7853 4.7853 4.8842 4.8842 5.4337 5.4337 5.5187 5.5187 9.9190 9.9190 9.9984 9.9984 10.9224 10.9224 11.0548 11.0548 11.7026 11.7026 k = 0.1222 0.4325 0.2060 ( 5080 PWs) bands (ev): -54.4629 -54.4629 -54.4629 -54.4629 -28.8170 -28.8170 -28.8114 -28.8114 -21.3656 -21.3656 -21.2460 -21.2460 -21.0684 -21.0684 -20.9627 -20.9627 -7.6361 -7.6361 -7.6151 -7.6151 -5.9080 -5.9080 -5.8264 -5.8264 2.4387 2.4387 2.4649 2.4649 3.0964 3.0964 3.1539 3.1539 3.2742 3.2742 3.2985 3.2985 3.9623 3.9623 3.9686 3.9686 4.8558 4.8558 4.9622 4.9622 5.4390 5.4390 5.5313 5.5313 9.9106 9.9106 9.9857 9.9857 10.9177 10.9177 11.0451 11.0451 11.6677 11.6677 k = 0.1111 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4630 -54.4630 -54.4630 -54.4630 -28.8162 -28.8162 -28.8111 -28.8111 -21.3609 -21.3609 -21.2517 -21.2517 -21.0600 -21.0600 -20.9638 -20.9638 -7.6450 -7.6450 -7.6256 -7.6256 -5.9112 -5.9112 -5.8357 -5.8357 2.4685 2.4685 2.4917 2.4917 3.0854 3.0854 3.1438 3.1438 3.2733 3.2733 3.2919 3.2919 3.9118 3.9118 3.9181 3.9181 4.9233 4.9233 5.0363 5.0363 5.4449 5.4449 5.5441 5.5441 9.9009 9.9009 9.9714 9.9714 10.9117 10.9117 11.0319 11.0319 11.6394 11.6394 k = 0.1000 0.4325 0.2060 ( 5092 PWs) bands (ev): -54.4631 -54.4631 -54.4631 -54.4631 -28.8154 -28.8154 -28.8107 -28.8107 -21.3561 -21.3561 -21.2574 -21.2574 -21.0519 -21.0519 -20.9651 -20.9651 -7.6530 -7.6530 -7.6353 -7.6353 -5.9137 -5.9137 -5.8447 -5.8447 2.4961 2.4961 2.5162 2.5162 3.0785 3.0785 3.1375 3.1375 3.2741 3.2741 3.2869 3.2869 3.8610 3.8610 3.8668 3.8668 4.9867 4.9867 5.1047 5.1047 5.4520 5.4520 5.5572 5.5572 9.8902 9.8902 9.9555 9.9555 10.9047 10.9047 11.0152 11.0152 11.6186 11.6186 k = 0.0889 0.4325 0.2060 ( 5088 PWs) bands (ev): -54.4632 -54.4632 -54.4632 -54.4632 -28.8147 -28.8147 -28.8104 -28.8104 -21.3511 -21.3511 -21.2632 -21.2632 -21.0440 -21.0440 -20.9667 -20.9667 -7.6603 -7.6603 -7.6444 -7.6444 -5.9154 -5.9154 -5.8533 -5.8533 2.5208 2.5208 2.5378 2.5378 3.0757 3.0757 3.1350 3.1350 3.2766 3.2766 3.2841 3.2841 3.8103 3.8103 3.8151 3.8151 5.0450 5.0450 5.1656 5.1656 5.4617 5.4617 5.5708 5.5708 9.8787 9.8787 9.9383 9.9383 10.8967 10.8967 10.9956 10.9956 11.6053 11.6053 k = 0.0778 0.4325 0.2060 ( 5084 PWs) bands (ev): -54.4633 -54.4633 -54.4633 -54.4633 -28.8140 -28.8140 -28.8102 -28.8102 -21.3461 -21.3461 -21.2689 -21.2689 -21.0364 -21.0364 -20.9688 -20.9688 -7.6667 -7.6667 -7.6526 -7.6526 -5.9164 -5.9164 -5.8614 -5.8614 2.5425 2.5425 2.5563 2.5563 3.0772 3.0772 3.1357 3.1357 3.2814 3.2814 3.2838 3.2838 3.7600 3.7600 3.7636 3.7636 5.0973 5.0973 5.2167 5.2167 5.4754 5.4754 5.5846 5.5846 9.8667 9.8667 9.9202 9.9202 10.8882 10.8882 10.9741 10.9741 11.5989 11.5989 k = 0.0667 0.4325 0.2060 ( 5100 PWs) bands (ev): -54.4634 -54.4634 -54.4634 -54.4634 -28.8134 -28.8134 -28.8101 -28.8101 -21.3410 -21.3410 -21.2747 -21.2747 -21.0292 -21.0292 -20.9712 -20.9712 -7.6722 -7.6722 -7.6600 -7.6600 -5.9167 -5.9167 -5.8690 -5.8690 2.5608 2.5608 2.5717 2.5717 3.0824 3.0824 3.1387 3.1387 3.2871 3.2871 3.2887 3.2887 3.7103 3.7103 3.7125 3.7125 5.1433 5.1433 5.2560 5.2560 5.4941 5.4941 5.5982 5.5982 9.8549 9.8549 9.9018 9.9018 10.8796 10.8796 10.9520 10.9520 11.5982 11.5982 k = 0.0556 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4634 -54.4634 -54.4634 -54.4634 -28.8128 -28.8128 -28.8100 -28.8100 -21.3358 -21.3358 -21.2804 -21.2804 -21.0223 -21.0223 -20.9739 -20.9739 -7.6767 -7.6767 -7.6665 -7.6665 -5.9162 -5.9162 -5.8762 -5.8762 2.5756 2.5756 2.5841 2.5841 3.0906 3.0906 3.1426 3.1426 3.2947 3.2947 3.2991 3.2991 3.6615 3.6615 3.6626 3.6626 5.1827 5.1827 5.2830 5.2830 5.5178 5.5178 5.6109 5.6109 9.8439 9.8439 9.8838 9.8838 10.8716 10.8716 10.9305 10.9305 11.6019 11.6019 k = 0.0444 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4635 -54.4635 -54.4635 -54.4635 -28.8122 -28.8122 -28.8100 -28.8100 -21.3305 -21.3305 -21.2861 -21.2861 -21.0158 -21.0158 -20.9771 -20.9771 -7.6803 -7.6803 -7.6721 -7.6721 -5.9151 -5.9151 -5.8828 -5.8828 2.5873 2.5873 2.5935 2.5935 3.1007 3.1007 3.1460 3.1460 3.3077 3.3077 3.3131 3.3131 3.6143 3.6143 3.6143 3.6143 5.2158 5.2158 5.2990 5.2990 5.5444 5.5444 5.6218 5.6218 9.8344 9.8344 9.8668 9.8668 10.8648 10.8648 10.9108 10.9108 11.6086 11.6086 k = 0.0333 0.4325 0.2060 ( 5092 PWs) bands (ev): -54.4635 -54.4635 -54.4635 -54.4635 -28.8117 -28.8117 -28.8100 -28.8100 -21.3251 -21.3251 -21.2918 -21.2918 -21.0096 -21.0096 -20.9805 -20.9805 -7.6829 -7.6829 -7.6767 -7.6767 -5.9133 -5.9133 -5.8890 -5.8890 2.5959 2.5959 2.6002 2.6002 3.1116 3.1116 3.1477 3.1477 3.3260 3.3260 3.3308 3.3308 3.5686 3.5686 3.5694 3.5694 5.2431 5.2431 5.3064 5.3064 5.5707 5.5707 5.6298 5.6298 9.8270 9.8270 9.8517 9.8517 10.8599 10.8599 10.8935 10.8935 11.6170 11.6170 k = 0.0222 0.4325 0.2060 ( 5088 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8113 -28.8113 -28.8102 -28.8102 -21.3197 -21.3197 -21.2974 -21.2974 -21.0038 -21.0038 -20.9844 -20.9844 -7.6844 -7.6844 -7.6803 -7.6803 -5.9108 -5.9108 -5.8945 -5.8945 2.6019 2.6019 2.6046 2.6046 3.1221 3.1221 3.1471 3.1471 3.3484 3.3484 3.3518 3.3518 3.5270 3.5270 3.5281 3.5281 5.2649 5.2649 5.3073 5.3073 5.5941 5.5941 5.6336 5.6336 9.8225 9.8225 9.8391 9.8391 10.8574 10.8574 10.8794 10.8794 11.6262 11.6262 k = 0.0111 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8109 -28.8109 -28.8104 -28.8104 -21.3142 -21.3142 -21.3031 -21.3031 -20.9984 -20.9984 -20.9887 -20.9887 -7.6850 -7.6850 -7.6829 -7.6829 -5.9077 -5.9077 -5.8995 -5.8995 2.6056 2.6056 2.6069 2.6069 3.1313 3.1313 3.1441 3.1441 3.3711 3.3711 3.3727 3.3727 3.4935 3.4935 3.4943 3.4943 5.2820 5.2820 5.3031 5.3031 5.6127 5.6127 5.6325 5.6325 9.8213 9.8213 9.8296 9.8296 10.8579 10.8579 10.8687 10.8687 11.6353 11.6353 k = 0.0000 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6844 -7.6844 -7.6844 -7.6844 -5.9039 -5.9039 -5.9039 -5.9039 2.6073 2.6073 2.6073 2.6073 3.1387 3.1387 3.1388 3.1388 3.3829 3.3829 3.3830 3.3830 3.4789 3.4789 3.4789 3.4789 5.2947 5.2947 5.2947 5.2947 5.6256 5.6256 5.6256 5.6256 9.8236 9.8236 9.8236 9.8236 10.8616 10.8616 10.8616 10.8616 11.6442 11.6442 k = 0.0000 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6844 -7.6844 -7.6844 -7.6844 -5.9039 -5.9039 -5.9039 -5.9039 2.6073 2.6073 2.6073 2.6073 3.1387 3.1387 3.1388 3.1388 3.3829 3.3829 3.3830 3.3830 3.4789 3.4789 3.4789 3.4789 5.2947 5.2947 5.2947 5.2947 5.6256 5.6256 5.6256 5.6256 9.8236 9.8236 9.8236 9.8236 10.8616 10.8616 10.8616 10.8616 11.6442 11.6442 k = 0.0000 0.4214 0.2060 ( 5096 PWs) bands (ev): -54.4643 -54.4643 -54.4628 -54.4628 -28.8134 -28.8134 -28.8078 -28.8078 -21.3116 -21.3116 -21.3057 -21.3057 -20.9955 -20.9955 -20.9912 -20.9912 -7.6862 -7.6862 -7.6832 -7.6832 -5.9265 -5.9265 -5.8838 -5.8838 2.5240 2.5240 2.6930 2.6930 3.1347 3.1347 3.1445 3.1445 3.3776 3.3776 3.3901 3.3901 3.4655 3.4655 3.4957 3.4957 5.2907 5.2907 5.2986 5.2986 5.6217 5.6217 5.6296 5.6296 9.8159 9.8159 9.8333 9.8333 10.8271 10.8271 10.8959 10.8959 11.6114 11.6114 k = 0.0000 0.4103 0.2060 ( 5088 PWs) bands (ev): -54.4651 -54.4651 -54.4621 -54.4621 -28.8161 -28.8161 -28.8050 -28.8050 -21.3143 -21.3143 -21.3025 -21.3025 -20.9975 -20.9975 -20.9889 -20.9889 -7.6884 -7.6884 -7.6824 -7.6824 -5.9514 -5.9514 -5.8663 -5.8663 2.4444 2.4444 2.7795 2.7795 3.1325 3.1325 3.1523 3.1523 3.3730 3.3730 3.3999 3.3999 3.4566 3.4566 3.5151 3.5151 5.2868 5.2868 5.3026 5.3026 5.6179 5.6179 5.6338 5.6338 9.8104 9.8104 9.8448 9.8448 10.7928 10.7928 10.9296 10.9296 11.5754 11.5754 k = 0.0000 0.3992 0.2060 ( 5092 PWs) bands (ev): -54.4658 -54.4658 -54.4614 -54.4614 -28.8187 -28.8187 -28.8022 -28.8022 -21.3169 -21.3169 -21.2993 -21.2993 -20.9995 -20.9995 -20.9866 -20.9866 -7.6911 -7.6911 -7.6822 -7.6822 -5.9785 -5.9785 -5.8515 -5.8515 2.3689 2.3689 2.8634 2.8634 3.1323 3.1323 3.1642 3.1642 3.3683 3.3683 3.4129 3.4129 3.4535 3.4535 3.5366 3.5366 5.2828 5.2828 5.3067 5.3067 5.6143 5.6143 5.6381 5.6381 9.8071 9.8071 9.8579 9.8579 10.7589 10.7589 10.9623 10.9623 11.5359 11.5359 k = 0.0000 0.3882 0.2060 ( 5096 PWs) bands (ev): -54.4666 -54.4666 -54.4606 -54.4606 -28.8214 -28.8214 -28.7994 -28.7994 -21.3194 -21.3194 -21.2960 -21.2960 -21.0014 -21.0014 -20.9843 -20.9843 -7.6941 -7.6941 -7.6825 -7.6825 -6.0076 -6.0076 -5.8395 -5.8395 2.2980 2.2980 2.9385 2.9385 3.1337 3.1337 3.1850 3.1850 3.3626 3.3626 3.4304 3.4304 3.4569 3.4569 3.5601 3.5601 5.2787 5.2787 5.3110 5.3110 5.6108 5.6108 5.6426 5.6426 9.8063 9.8063 9.8724 9.8724 10.7259 10.7259 10.9935 10.9935 11.4931 11.4931 k = 0.0000 0.3771 0.2060 ( 5092 PWs) bands (ev): -54.4673 -54.4673 -54.4599 -54.4599 -28.8239 -28.8239 -28.7965 -28.7965 -21.3217 -21.3217 -21.2925 -21.2925 -21.0033 -21.0033 -20.9818 -20.9818 -7.6976 -7.6976 -7.6834 -7.6834 -6.0385 -6.0385 -5.8302 -5.8302 2.2319 2.2319 2.9958 2.9958 3.1354 3.1354 3.2221 3.2221 3.3561 3.3561 3.4542 3.4542 3.4673 3.4673 3.5853 3.5853 5.2745 5.2745 5.3155 5.3155 5.6075 5.6075 5.6474 5.6474 9.8079 9.8079 9.8880 9.8880 10.6939 10.6939 11.0224 11.0224 11.4472 11.4472 k = 0.0000 0.3660 0.2060 ( 5096 PWs) bands (ev): -54.4680 -54.4680 -54.4592 -54.4592 -28.8265 -28.8265 -28.7936 -28.7936 -21.3238 -21.3238 -21.2891 -21.2891 -21.0050 -21.0050 -20.9793 -20.9793 -7.7015 -7.7015 -7.6849 -7.6849 -6.0711 -6.0711 -5.8238 -5.8238 2.1708 2.1708 3.0318 3.0318 3.1362 3.1362 3.2747 3.2747 3.3503 3.3503 3.4794 3.4794 3.4933 3.4933 3.6120 3.6120 5.2700 5.2700 5.3203 5.3203 5.6043 5.6043 5.6523 5.6523 9.8121 9.8121 9.9045 9.9045 10.6632 10.6632 11.0481 11.0481 11.3989 11.3989 k = 0.0000 0.3549 0.2060 ( 5110 PWs) bands (ev): -54.4688 -54.4688 -54.4585 -54.4585 -28.8290 -28.8290 -28.7908 -28.7908 -21.3259 -21.3259 -21.2856 -21.2856 -21.0068 -21.0068 -20.9768 -20.9768 -7.7056 -7.7056 -7.6869 -7.6869 -6.1052 -6.1052 -5.8201 -5.8201 2.1147 2.1147 3.0527 3.0527 3.1357 3.1357 3.3214 3.3214 3.3539 3.3539 3.5006 3.5006 3.5460 3.5460 3.6405 3.6405 5.2652 5.2652 5.3254 5.3254 5.6014 5.6014 5.6576 5.6576 9.8187 9.8187 9.9217 9.9217 10.6341 10.6341 11.0688 11.0688 11.3493 11.3493 k = 0.0000 0.3438 0.2060 ( 5120 PWs) bands (ev): -54.4695 -54.4695 -54.4578 -54.4578 -28.8314 -28.8314 -28.7880 -28.7880 -21.3277 -21.3277 -21.2820 -21.2820 -21.0084 -21.0084 -20.9743 -20.9743 -7.7102 -7.7102 -7.6895 -7.6895 -6.1404 -6.1404 -5.8192 -5.8192 2.0637 2.0637 3.0661 3.0661 3.1340 3.1340 3.3276 3.3276 3.3895 3.3895 3.5253 3.5253 3.6208 3.6208 3.6714 3.6714 5.2602 5.2602 5.3309 5.3309 5.5988 5.5988 5.6633 5.6633 9.8276 9.8276 9.9392 9.9392 10.6068 10.6068 11.0812 11.0812 11.3018 11.3018 k = 0.0000 0.3327 0.2060 ( 5120 PWs) bands (ev): -54.4702 -54.4702 -54.4571 -54.4571 -28.8338 -28.8338 -28.7852 -28.7852 -21.3294 -21.3294 -21.2784 -21.2784 -21.0099 -21.0099 -20.9717 -20.9717 -7.7150 -7.7150 -7.6927 -7.6927 -6.1766 -6.1766 -5.8210 -5.8210 2.0177 2.0177 3.0762 3.0762 3.1315 3.1315 3.3232 3.3232 3.4259 3.4259 3.5536 3.5536 3.6929 3.6929 3.7251 3.7251 5.2548 5.2548 5.3370 5.3370 5.5964 5.5964 5.6695 5.6695 9.8388 9.8388 9.9569 9.9569 10.5815 10.5815 11.0785 11.0785 11.2628 11.2628 k = 0.0000 0.3216 0.2060 ( 5126 PWs) bands (ev): -54.4709 -54.4709 -54.4564 -54.4564 -28.8361 -28.8361 -28.7824 -28.7824 -21.3310 -21.3310 -21.2747 -21.2747 -21.0114 -21.0114 -20.9691 -20.9691 -7.7200 -7.7200 -7.6965 -7.6965 -6.2136 -6.2136 -5.8254 -5.8254 1.9767 1.9767 3.0850 3.0850 3.1286 3.1286 3.3183 3.3183 3.4573 3.4573 3.5852 3.5852 3.7287 3.7287 3.8281 3.8281 5.2490 5.2490 5.3436 5.3436 5.5945 5.5945 5.6762 5.6762 9.8520 9.8520 9.9745 9.9745 10.5586 10.5586 11.0524 11.0524 11.2408 11.2408 k = 0.0000 0.3105 0.2060 ( 5130 PWs) bands (ev): -54.4716 -54.4716 -54.4558 -54.4558 -28.8383 -28.8383 -28.7796 -28.7796 -21.3323 -21.3323 -21.2711 -21.2711 -21.0128 -21.0128 -20.9664 -20.9664 -7.7253 -7.7253 -7.7009 -7.7009 -6.2511 -6.2511 -5.8322 -5.8322 1.9405 1.9405 3.0929 3.0929 3.1261 3.1261 3.3140 3.3140 3.4863 3.4863 3.6194 3.6194 3.7620 3.7620 3.9412 3.9412 5.2427 5.2427 5.3509 5.3509 5.5930 5.5930 5.6836 5.6836 9.8668 9.8668 9.9917 9.9917 10.5382 10.5382 11.0032 11.0032 11.2357 11.2357 k = 0.0000 0.2994 0.2060 ( 5128 PWs) bands (ev): -54.4723 -54.4723 -54.4551 -54.4551 -28.8405 -28.8405 -28.7768 -28.7768 -21.3335 -21.3335 -21.2674 -21.2674 -21.0140 -21.0140 -20.9637 -20.9637 -7.7309 -7.7309 -7.7058 -7.7058 -6.2890 -6.2890 -5.8414 -5.8414 1.9091 1.9091 3.0989 3.0989 3.1253 3.1253 3.3104 3.3104 3.5146 3.5146 3.6560 3.6560 3.7957 3.7957 4.0580 4.0580 5.2360 5.2360 5.3591 5.3591 5.5921 5.5921 5.6919 5.6919 9.8828 9.8828 10.0083 10.0083 10.5204 10.5204 10.9392 10.9392 11.2398 11.2398 k = 0.0000 0.2883 0.2060 ( 5132 PWs) bands (ev): -54.4730 -54.4730 -54.4545 -54.4545 -28.8426 -28.8426 -28.7741 -28.7741 -21.3346 -21.3346 -21.2638 -21.2638 -21.0153 -21.0153 -20.9610 -20.9610 -7.7366 -7.7366 -7.7114 -7.7114 -6.3269 -6.3269 -5.8527 -5.8527 1.8822 1.8822 3.1013 3.1013 3.1286 3.1286 3.3077 3.3077 3.5431 3.5431 3.6943 3.6943 3.8302 3.8302 4.1760 4.1760 5.2289 5.2289 5.3684 5.3684 5.5919 5.5919 5.7013 5.7013 9.8996 9.8996 10.0241 10.0241 10.5055 10.5055 10.8666 10.8666 11.2477 11.2477 k = 0.0000 0.2773 0.2060 ( 5126 PWs) bands (ev): -54.4736 -54.4736 -54.4539 -54.4539 -28.8446 -28.8446 -28.7714 -28.7714 -21.3356 -21.3356 -21.2602 -21.2602 -21.0164 -21.0164 -20.9582 -20.9582 -7.7425 -7.7425 -7.7174 -7.7174 -6.3647 -6.3647 -5.8660 -5.8660 1.8596 1.8596 3.0998 3.0998 3.1360 3.1360 3.3057 3.3057 3.5725 3.5725 3.7339 3.7339 3.8654 3.8654 4.2932 4.2932 5.2213 5.2213 5.3791 5.3791 5.5925 5.5925 5.7122 5.7122 9.9165 9.9165 10.0390 10.0390 10.4933 10.4933 10.7888 10.7888 11.2574 11.2574 k = 0.0000 0.2662 0.2060 ( 5124 PWs) bands (ev): -54.4743 -54.4743 -54.4533 -54.4533 -28.8465 -28.8465 -28.7687 -28.7687 -21.3364 -21.3364 -21.2566 -21.2566 -21.0175 -21.0175 -20.9554 -20.9554 -7.7486 -7.7486 -7.7240 -7.7240 -6.4023 -6.4023 -5.8812 -5.8812 1.8411 1.8411 3.0965 3.0965 3.1458 3.1458 3.3046 3.3046 3.6030 3.6030 3.7745 3.7745 3.9012 3.9012 4.4077 4.4077 5.2134 5.2134 5.3913 5.3913 5.5940 5.5940 5.7250 5.7250 9.9331 9.9331 10.0527 10.0527 10.4832 10.4832 10.7079 10.7079 11.2683 11.2683 k = 0.0000 0.2551 0.2060 ( 5120 PWs) bands (ev): -54.4749 -54.4749 -54.4527 -54.4527 -28.8483 -28.8483 -28.7661 -28.7661 -21.3371 -21.3371 -21.2531 -21.2531 -21.0185 -21.0185 -20.9526 -20.9526 -7.7548 -7.7548 -7.7309 -7.7309 -6.4392 -6.4392 -5.8979 -5.8979 1.8265 1.8265 3.0926 3.0926 3.1567 3.1567 3.3043 3.3043 3.6349 3.6349 3.8155 3.8155 3.9376 3.9376 4.5176 4.5176 5.2053 5.2053 5.4055 5.4055 5.5967 5.5967 5.7404 5.7404 9.9486 9.9486 10.0652 10.0652 10.4729 10.4729 10.6274 10.6274 11.2810 11.2810 k = 0.0000 0.2440 0.2060 ( 5126 PWs) bands (ev): -54.4755 -54.4755 -54.4521 -54.4521 -28.8502 -28.8502 -28.7635 -28.7635 -21.3377 -21.3377 -21.2497 -21.2497 -21.0194 -21.0194 -20.9498 -20.9498 -7.7612 -7.7612 -7.7383 -7.7383 -6.4755 -6.4755 -5.9160 -5.9160 1.8155 1.8155 3.0884 3.0884 3.1683 3.1683 3.3048 3.3048 3.6683 3.6683 3.8565 3.8565 3.9745 3.9745 4.6208 4.6208 5.1971 5.1971 5.4219 5.4219 5.6007 5.6007 5.7591 5.7591 9.9625 9.9625 10.0764 10.0764 10.4529 10.4529 10.5575 10.5575 11.2961 11.2961 k = 0.0000 0.2329 0.2060 ( 5136 PWs) bands (ev): -54.4761 -54.4761 -54.4516 -54.4516 -28.8519 -28.8519 -28.7611 -28.7611 -21.3382 -21.3382 -21.2463 -21.2463 -21.0204 -21.0204 -20.9470 -20.9470 -7.7678 -7.7678 -7.7460 -7.7460 -6.5109 -6.5109 -5.9352 -5.9352 1.8078 1.8078 3.0843 3.0843 3.1803 3.1803 3.3059 3.3059 3.7031 3.7031 3.8971 3.8971 4.0117 4.0117 4.7149 4.7149 5.1891 5.1891 5.4405 5.4405 5.6064 5.6064 5.7822 5.7822 9.9744 9.9744 10.0862 10.0862 10.3999 10.3999 10.5220 10.5220 11.3146 11.3146 k = 0.0000 0.2218 0.2060 ( 5132 PWs) bands (ev): -54.4767 -54.4767 -54.4511 -54.4511 -28.8536 -28.8536 -28.7586 -28.7586 -21.3386 -21.3386 -21.2430 -21.2430 -21.0212 -21.0212 -20.9442 -20.9442 -7.7747 -7.7747 -7.7538 -7.7538 -6.5453 -6.5453 -5.9554 -5.9554 1.8032 1.8032 3.0803 3.0803 3.1924 3.1924 3.3078 3.3078 3.7394 3.7394 3.9369 3.9369 4.0491 4.0491 4.7976 4.7976 5.1816 5.1816 5.4608 5.4608 5.6142 5.6142 5.8111 5.8111 9.9838 9.9838 10.0948 10.0948 10.3193 10.3193 10.5161 10.5161 11.3373 11.3373 k = 0.0000 0.2107 0.2060 ( 5134 PWs) bands (ev): -54.4772 -54.4772 -54.4506 -54.4506 -28.8551 -28.8551 -28.7563 -28.7563 -21.3389 -21.3389 -21.2399 -21.2399 -21.0220 -21.0220 -20.9414 -20.9414 -7.7819 -7.7819 -7.7616 -7.7616 -6.5785 -6.5785 -5.9763 -5.9763 1.8013 1.8013 3.0766 3.0766 3.2044 3.2044 3.3103 3.3103 3.7770 3.7770 3.9757 3.9757 4.0866 4.0866 4.8672 4.8672 5.1749 5.1749 5.4817 5.4817 5.6249 5.6249 5.8472 5.8472 9.9901 9.9901 10.1023 10.1023 10.2303 10.2303 10.5212 10.5212 11.3649 11.3649 k = 0.0000 0.1996 0.2060 ( 5132 PWs) bands (ev): -54.4778 -54.4778 -54.4501 -54.4501 -28.8566 -28.8566 -28.7541 -28.7541 -21.3391 -21.3391 -21.2368 -21.2368 -21.0228 -21.0228 -20.9386 -20.9386 -7.7895 -7.7895 -7.7692 -7.7692 -6.6103 -6.6103 -5.9977 -5.9977 1.8019 1.8019 3.0732 3.0732 3.2163 3.2163 3.3134 3.3134 3.8158 3.8158 4.0131 4.0131 4.1239 4.1239 4.9225 4.9225 5.1695 5.1695 5.5015 5.5015 5.6388 5.6388 5.8917 5.8917 9.9924 9.9924 10.1066 10.1066 10.1416 10.1416 10.5320 10.5320 11.3979 11.3979 k = 0.0000 0.1885 0.2060 ( 5128 PWs) bands (ev): -54.4783 -54.4783 -54.4496 -54.4496 -28.8580 -28.8580 -28.7519 -28.7519 -21.3393 -21.3393 -21.2338 -21.2338 -21.0235 -21.0235 -20.9359 -20.9359 -7.7977 -7.7977 -7.7764 -7.7764 -6.6408 -6.6408 -6.0193 -6.0193 1.8046 1.8046 3.0702 3.0702 3.2280 3.2280 3.3171 3.3171 3.8554 3.8554 4.0491 4.0491 4.1606 4.1606 4.9637 4.9637 5.1659 5.1659 5.5186 5.5186 5.6563 5.6563 5.9450 5.9450 9.9876 9.9876 10.0463 10.0463 10.1203 10.1203 10.5467 10.5467 11.4364 11.4364 k = 0.0000 0.1774 0.2060 ( 5132 PWs) bands (ev): -54.4787 -54.4787 -54.4492 -54.4492 -28.8593 -28.8593 -28.7498 -28.7498 -21.3394 -21.3394 -21.2309 -21.2309 -21.0243 -21.0243 -20.9332 -20.9332 -7.8063 -7.8063 -7.7832 -7.7832 -6.6697 -6.6697 -6.0410 -6.0410 1.8091 1.8091 3.0675 3.0675 3.2393 3.2393 3.3213 3.3213 3.8956 3.8956 4.0837 4.0837 4.1964 4.1964 4.9919 4.9919 5.1642 5.1642 5.5320 5.5320 5.6768 5.6768 6.0064 6.0064 9.9391 9.9391 9.9975 9.9975 10.1280 10.1280 10.5651 10.5651 11.4802 11.4802 k = 0.0000 0.1664 0.2060 ( 5128 PWs) bands (ev): -54.4792 -54.4792 -54.4488 -54.4488 -28.8605 -28.8605 -28.7478 -28.7478 -21.3394 -21.3394 -21.2281 -21.2281 -21.0249 -21.0249 -20.9305 -20.9305 -7.8154 -7.8154 -7.7895 -7.7895 -6.6970 -6.6970 -6.0625 -6.0625 1.8152 1.8152 3.0651 3.0651 3.2502 3.2502 3.3260 3.3260 3.9359 3.9359 4.1173 4.1173 4.2307 4.2307 5.0092 5.0092 5.1644 5.1644 5.5420 5.5420 5.6996 5.6996 6.0739 6.0739 9.8507 9.8507 9.9847 9.9847 10.1376 10.1376 10.5869 10.5869 11.5288 11.5288 k = 0.0000 0.1553 0.2060 ( 5140 PWs) bands (ev): -54.4796 -54.4796 -54.4484 -54.4484 -28.8617 -28.8617 -28.7460 -28.7460 -21.3395 -21.3395 -21.2256 -21.2256 -21.0256 -21.0256 -20.9280 -20.9280 -7.8248 -7.8248 -7.7953 -7.7953 -6.7226 -6.7226 -6.0836 -6.0836 1.8226 1.8226 3.0632 3.0632 3.2605 3.2605 3.3311 3.3311 3.9753 3.9753 4.1503 4.1503 4.2633 4.2633 5.0182 5.0182 5.1657 5.1657 5.5492 5.5492 5.7239 5.7239 6.1451 6.1451 9.7603 9.7603 9.9717 9.9717 10.1487 10.1487 10.6122 10.6122 11.5815 11.5815 k = 0.0000 0.1442 0.2060 ( 5134 PWs) bands (ev): -54.4800 -54.4800 -54.4480 -54.4480 -28.8628 -28.8628 -28.7442 -28.7442 -21.3395 -21.3395 -21.2230 -21.2230 -21.0262 -21.0262 -20.9255 -20.9255 -7.8342 -7.8342 -7.8006 -7.8006 -6.7465 -6.7465 -6.1042 -6.1042 1.8309 1.8309 3.0616 3.0616 3.2704 3.2704 3.3366 3.3366 4.0131 4.0131 4.1834 4.1834 4.2937 4.2937 5.0210 5.0210 5.1676 5.1676 5.5543 5.5543 5.7491 5.7491 6.2177 6.2177 9.6713 9.6713 9.9562 9.9562 10.1610 10.1610 10.6409 10.6409 11.6372 11.6372 k = 0.0000 0.1331 0.2060 ( 5130 PWs) bands (ev): -54.4804 -54.4804 -54.4477 -54.4477 -28.8638 -28.8638 -28.7425 -28.7425 -21.3394 -21.3394 -21.2207 -21.2207 -21.0268 -21.0268 -20.9231 -20.9231 -7.8437 -7.8437 -7.8056 -7.8056 -6.7686 -6.7686 -6.1240 -6.1240 1.8398 1.8398 3.0604 3.0604 3.2796 3.2796 3.3423 3.3423 4.0480 4.0480 4.2175 4.2175 4.3216 4.3216 5.0195 5.0195 5.1695 5.1695 5.5579 5.5579 5.7749 5.7749 6.2895 6.2895 9.5849 9.5849 9.9388 9.9388 10.1739 10.1739 10.6730 10.6730 11.6946 11.6946 k = 0.0000 0.1220 0.2060 ( 5126 PWs) bands (ev): -54.4808 -54.4808 -54.4473 -54.4473 -28.8647 -28.8647 -28.7409 -28.7409 -21.3394 -21.3394 -21.2185 -21.2185 -21.0274 -21.0274 -20.9208 -20.9208 -7.8530 -7.8530 -7.8101 -7.8101 -6.7889 -6.7889 -6.1428 -6.1428 1.8492 1.8492 3.0595 3.0595 3.2882 3.2882 3.3482 3.3482 4.0791 4.0791 4.2536 4.2536 4.3469 4.3469 5.0146 5.0146 5.1713 5.1713 5.5604 5.5604 5.8010 5.8010 6.3588 6.3588 9.5017 9.5017 9.9200 9.9200 10.1872 10.1872 10.7085 10.7085 11.7515 11.7515 k = 0.0000 0.1109 0.2060 ( 5120 PWs) bands (ev): -54.4811 -54.4811 -54.4470 -54.4470 -28.8655 -28.8655 -28.7395 -28.7395 -21.3393 -21.3393 -21.2164 -21.2164 -21.0279 -21.0279 -20.9187 -20.9187 -7.8619 -7.8619 -7.8143 -7.8143 -6.8074 -6.8074 -6.1606 -6.1606 1.8586 1.8586 3.0589 3.0589 3.2961 3.2961 3.3543 3.3543 4.1054 4.1054 4.2921 4.2921 4.3695 4.3695 5.0065 5.0065 5.1733 5.1733 5.5620 5.5620 5.8271 5.8271 6.4243 6.4243 9.4225 9.4225 9.9005 9.9005 10.2002 10.2002 10.7470 10.7470 11.8042 11.8042 k = 0.0000 0.0998 0.2060 ( 5116 PWs) bands (ev): -54.4814 -54.4814 -54.4468 -54.4468 -28.8663 -28.8663 -28.7381 -28.7381 -21.3392 -21.3392 -21.2146 -21.2146 -21.0283 -21.0283 -20.9167 -20.9167 -7.8705 -7.8705 -7.8181 -7.8181 -6.8241 -6.8241 -6.1771 -6.1771 1.8680 1.8680 3.0585 3.0585 3.3034 3.3034 3.3603 3.3603 4.1268 4.1268 4.3332 4.3332 4.3895 4.3895 4.9953 4.9953 5.1756 5.1756 5.5630 5.5630 5.8529 5.8529 6.4850 6.4850 9.3479 9.3479 9.8810 9.8810 10.2126 10.2126 10.7879 10.7879 11.8444 11.8444 k = 0.0000 0.0887 0.2060 ( 5116 PWs) bands (ev): -54.4816 -54.4816 -54.4466 -54.4466 -28.8669 -28.8669 -28.7370 -28.7370 -21.3392 -21.3392 -21.2128 -21.2128 -21.0288 -21.0288 -20.9149 -20.9149 -7.8784 -7.8784 -7.8216 -7.8216 -6.8390 -6.8390 -6.1923 -6.1923 1.8770 1.8770 3.0584 3.0584 3.3099 3.3099 3.3662 3.3662 4.1435 4.1435 4.3758 4.3758 4.4076 4.4076 4.9808 4.9808 5.1786 5.1786 5.5636 5.5636 5.8779 5.8779 6.5401 6.5401 9.2787 9.2787 9.8620 9.8620 10.2241 10.2241 10.8303 10.8303 11.8652 11.8652 k = 0.0000 0.0776 0.2060 ( 5120 PWs) bands (ev): -54.4819 -54.4819 -54.4463 -54.4463 -28.8676 -28.8676 -28.7360 -28.7360 -21.3391 -21.3391 -21.2113 -21.2113 -21.0293 -21.0293 -20.9132 -20.9132 -7.8857 -7.8857 -7.8246 -7.8246 -6.8521 -6.8521 -6.2060 -6.2060 1.8854 1.8854 3.0584 3.0584 3.3157 3.3157 3.3719 3.3719 4.1562 4.1562 4.4128 4.4128 4.4304 4.4304 4.9628 4.9628 5.1821 5.1821 5.5639 5.5639 5.9018 5.9018 6.5892 6.5892 9.2154 9.2154 9.8442 9.8442 10.2345 10.2345 10.8732 10.8732 11.8744 11.8744 k = 0.0000 0.0665 0.2060 ( 5120 PWs) bands (ev): -54.4821 -54.4821 -54.4462 -54.4462 -28.8681 -28.8681 -28.7350 -28.7350 -21.3391 -21.3391 -21.2099 -21.2099 -21.0297 -21.0297 -20.9118 -20.9118 -7.8923 -7.8923 -7.8273 -7.8273 -6.8634 -6.8634 -6.2181 -6.2181 1.8932 1.8932 3.0585 3.0585 3.3207 3.3207 3.3772 3.3772 4.1656 4.1656 4.4295 4.4295 4.4722 4.4722 4.9411 4.9411 5.1862 5.1862 5.5640 5.5640 5.9239 5.9239 6.6321 6.6321 9.1589 9.1589 9.8278 9.8278 10.2436 10.2436 10.9150 10.9150 11.8793 11.8793 k = 0.0000 0.0555 0.2060 ( 5128 PWs) bands (ev): -54.4822 -54.4822 -54.4460 -54.4460 -28.8686 -28.8686 -28.7343 -28.7343 -21.3390 -21.3390 -21.2088 -21.2088 -21.0300 -21.0300 -20.9106 -20.9106 -7.8980 -7.8980 -7.8295 -7.8295 -6.8730 -6.8730 -6.2284 -6.2284 1.9000 1.9000 3.0588 3.0588 3.3250 3.3250 3.3820 3.3820 4.1723 4.1723 4.4401 4.4401 4.5184 4.5184 4.9160 4.9160 5.1905 5.1905 5.5640 5.5640 5.9438 5.9438 6.6684 6.6684 9.1096 9.1096 9.8133 9.8133 10.2512 10.2512 10.9544 10.9544 11.8825 11.8825 k = 0.0000 0.0444 0.2060 ( 5122 PWs) bands (ev): -54.4824 -54.4824 -54.4459 -54.4459 -28.8689 -28.8689 -28.7336 -28.7336 -21.3389 -21.3389 -21.2078 -21.2078 -21.0303 -21.0303 -20.9095 -20.9095 -7.9027 -7.9027 -7.8314 -7.8314 -6.8808 -6.8808 -6.2370 -6.2370 1.9057 1.9057 3.0590 3.0590 3.3285 3.3285 3.3862 3.3862 4.1769 4.1769 4.4481 4.4481 4.5650 4.5650 4.8874 4.8874 5.1946 5.1946 5.5639 5.5639 5.9609 5.9609 6.6981 6.6981 9.0684 9.0684 9.8011 9.8011 10.2575 10.2575 10.9896 10.9896 11.8848 11.8848 k = 0.0000 0.0333 0.2060 ( 5114 PWs) bands (ev): -54.4825 -54.4825 -54.4458 -54.4458 -28.8691 -28.8691 -28.7331 -28.7331 -21.3389 -21.3389 -21.2071 -21.2071 -21.0305 -21.0305 -20.9087 -20.9087 -7.9065 -7.9065 -7.8328 -7.8328 -6.8868 -6.8868 -6.2438 -6.2438 1.9103 1.9103 3.0593 3.0593 3.3312 3.3312 3.3896 3.3896 4.1799 4.1799 4.4541 4.4541 4.6111 4.6111 4.8555 4.8555 5.1983 5.1983 5.5638 5.5638 5.9748 5.9748 6.7212 6.7212 9.0357 9.0357 9.7913 9.7913 10.2623 10.2623 11.0189 11.0189 11.8865 11.8865 k = 0.0000 0.0222 0.2060 ( 5126 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8694 -28.8694 -28.7328 -28.7328 -21.3389 -21.3389 -21.2066 -21.2066 -21.0307 -21.0307 -20.9081 -20.9081 -7.9092 -7.9092 -7.8339 -7.8339 -6.8911 -6.8911 -6.2486 -6.2486 1.9137 1.9137 3.0595 3.0595 3.3332 3.3332 3.3921 3.3921 4.1817 4.1817 4.4583 4.4583 4.6563 4.6563 4.8207 4.8207 5.2011 5.2011 5.5638 5.5638 5.9850 5.9850 6.7377 6.7377 9.0120 9.0120 9.7841 9.7841 10.2658 10.2658 11.0411 11.0411 11.8878 11.8878 k = 0.0000 0.0111 0.2060 ( 5126 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7326 -28.7326 -21.3389 -21.3389 -21.2062 -21.2062 -21.0308 -21.0308 -20.9078 -20.9078 -7.9109 -7.9109 -7.8345 -7.8345 -6.8937 -6.8937 -6.2516 -6.2516 1.9157 1.9157 3.0596 3.0596 3.3344 3.3344 3.3936 3.3936 4.1827 4.1827 4.4608 4.4608 4.6998 4.6998 4.7835 4.7835 5.2030 5.2030 5.5637 5.5637 5.9913 5.9913 6.7476 6.7476 8.9976 8.9976 9.7798 9.7798 10.2678 10.2678 11.0549 11.0549 11.8885 11.8885 k = 0.0000 0.0000 0.2060 ( 5124 PWs) bands (ev): -54.4826 -54.4826 -54.4457 -54.4457 -28.8695 -28.8695 -28.7325 -28.7325 -21.3388 -21.3388 -21.2061 -21.2061 -21.0308 -21.0308 -20.9077 -20.9077 -7.9114 -7.9114 -7.8347 -7.8347 -6.8945 -6.8945 -6.2526 -6.2526 1.9164 1.9164 3.0596 3.0596 3.3348 3.3348 3.3941 3.3941 4.1830 4.1830 4.4616 4.4616 4.7349 4.7349 4.7505 4.7505 5.2036 5.2036 5.5637 5.5637 5.9935 5.9935 6.7509 6.7509 8.9927 8.9927 9.7784 9.7784 10.2685 10.2685 11.0596 11.0596 11.8888 11.8888 k = 0.0000 0.4325-0.0000 ( 5106 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8107 -28.8107 -28.8107 -28.8107 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6848 -7.6848 -7.6848 -7.6848 -5.9029 -5.9029 -5.9029 -5.9029 2.4221 2.4221 2.4221 2.4221 3.0153 3.0153 3.0153 3.0153 3.4603 3.4603 3.4603 3.4603 4.2191 4.2191 4.2191 4.2191 4.7652 4.7652 4.7652 4.7652 5.5227 5.5227 5.5227 5.5227 9.7906 9.7906 9.7906 9.7906 11.2505 11.2505 11.2505 11.2505 11.6854 11.6854 k = 0.0000 0.4325 0.0108 ( 5106 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8107 -28.8107 -28.8107 -28.8107 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6848 -7.6848 -7.6848 -7.6848 -5.9029 -5.9029 -5.9029 -5.9029 2.4232 2.4232 2.4232 2.4232 3.0156 3.0156 3.0156 3.0156 3.4602 3.4602 3.4602 3.4602 4.2100 4.2100 4.2100 4.2100 4.7735 4.7735 4.7735 4.7735 5.5231 5.5231 5.5231 5.5231 9.7907 9.7907 9.7907 9.7907 11.2477 11.2477 11.2477 11.2477 11.6850 11.6850 k = 0.0000 0.4325 0.0217 ( 5102 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6848 -7.6848 -7.6848 -7.6848 -5.9029 -5.9029 -5.9029 -5.9029 2.4263 2.4263 2.4263 2.4263 3.0163 3.0163 3.0163 3.0163 3.4602 3.4602 3.4602 3.4602 4.1844 4.1844 4.1844 4.1844 4.7969 4.7969 4.7969 4.7969 5.5240 5.5240 5.5240 5.5240 9.7913 9.7913 9.7913 9.7913 11.2395 11.2395 11.2395 11.2395 11.6839 11.6839 k = 0.0000 0.4325 0.0325 ( 5102 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6848 -7.6848 -7.6848 -7.6848 -5.9030 -5.9030 -5.9030 -5.9030 2.4314 2.4314 2.4314 2.4314 3.0176 3.0176 3.0176 3.0176 3.4601 3.4601 3.4601 3.4601 4.1459 4.1459 4.1459 4.1459 4.8314 4.8314 4.8314 4.8314 5.5257 5.5257 5.5257 5.5257 9.7922 9.7922 9.7922 9.7922 11.2260 11.2260 11.2260 11.2260 11.6821 11.6821 k = 0.0000 0.4325 0.0434 ( 5098 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6847 -7.6847 -7.6847 -7.6847 -5.9030 -5.9030 -5.9030 -5.9030 2.4384 2.4384 2.4384 2.4384 3.0194 3.0194 3.0194 3.0194 3.4599 3.4599 3.4599 3.4599 4.0986 4.0986 4.0986 4.0986 4.8730 4.8730 4.8730 4.8730 5.5280 5.5280 5.5280 5.5280 9.7935 9.7935 9.7935 9.7935 11.2078 11.2078 11.2078 11.2078 11.6797 11.6797 k = 0.0000 0.4325 0.0542 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6847 -7.6847 -7.6847 -7.6847 -5.9031 -5.9031 -5.9031 -5.9031 2.4472 2.4472 2.4472 2.4472 3.0218 3.0218 3.0218 3.0218 3.4597 3.4597 3.4597 3.4597 4.0456 4.0456 4.0456 4.0456 4.9185 4.9185 4.9185 4.9185 5.5311 5.5311 5.5311 5.5311 9.7951 9.7951 9.7951 9.7951 11.1853 11.1853 11.1853 11.1853 11.6770 11.6770 k = 0.0000 0.4325 0.0650 ( 5094 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6847 -7.6847 -7.6847 -7.6847 -5.9031 -5.9031 -5.9031 -5.9031 2.4578 2.4578 2.4578 2.4578 3.0249 3.0249 3.0249 3.0249 3.4595 3.4595 3.4595 3.4595 3.9891 3.9891 3.9891 3.9891 4.9654 4.9654 4.9654 4.9654 5.5350 5.5350 5.5350 5.5350 9.7970 9.7970 9.7970 9.7970 11.1592 11.1592 11.1592 11.1592 11.6739 11.6739 k = 0.0000 0.4325 0.0759 ( 5086 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9933 -20.9933 -20.9933 -20.9933 -7.6847 -7.6847 -7.6847 -7.6847 -5.9032 -5.9032 -5.9032 -5.9032 2.4699 2.4699 2.4699 2.4699 3.0288 3.0288 3.0288 3.0288 3.4592 3.4592 3.4592 3.4592 3.9309 3.9309 3.9309 3.9309 5.0119 5.0119 5.0119 5.0119 5.5398 5.5398 5.5398 5.5398 9.7992 9.7992 9.7992 9.7992 11.1304 11.1304 11.1304 11.1304 11.6706 11.6706 k = 0.0000 0.4325 0.0867 ( 5078 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3086 -21.3086 -21.3086 -21.3086 -20.9933 -20.9933 -20.9933 -20.9933 -7.6847 -7.6847 -7.6847 -7.6847 -5.9033 -5.9033 -5.9033 -5.9033 2.4832 2.4832 2.4832 2.4832 3.0336 3.0336 3.0336 3.0336 3.4587 3.4587 3.4587 3.4587 3.8720 3.8720 3.8720 3.8720 5.0568 5.0568 5.0568 5.0568 5.5456 5.5456 5.5456 5.5456 9.8016 9.8016 9.8016 9.8016 11.0997 11.0997 11.0997 11.0997 11.6672 11.6672 k = 0.0000 0.4325 0.0976 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6846 -7.6846 -7.6846 -7.6846 -5.9034 -5.9034 -5.9033 -5.9033 2.4976 2.4976 2.4976 2.4976 3.0393 3.0393 3.0393 3.0393 3.4582 3.4582 3.4582 3.4582 3.8134 3.8134 3.8134 3.8134 5.0991 5.0991 5.0991 5.0991 5.5524 5.5524 5.5524 5.5524 9.8041 9.8041 9.8041 9.8041 11.0679 11.0679 11.0679 11.0679 11.6638 11.6638 k = 0.0000 0.4325 0.1084 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6846 -7.6846 -7.6846 -7.6846 -5.9034 -5.9034 -5.9034 -5.9034 2.5127 2.5127 2.5127 2.5127 3.0462 3.0462 3.0462 3.0462 3.4574 3.4574 3.4575 3.4575 3.7558 3.7558 3.7558 3.7558 5.1379 5.1379 5.1379 5.1379 5.5602 5.5602 5.5602 5.5602 9.8068 9.8068 9.8068 9.8068 11.0359 11.0359 11.0359 11.0359 11.6606 11.6606 k = 0.0000 0.4325 0.1192 ( 5088 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9933 -20.9933 -20.9933 -20.9933 -7.6846 -7.6846 -7.6846 -7.6846 -5.9035 -5.9035 -5.9035 -5.9035 2.5281 2.5281 2.5281 2.5281 3.0543 3.0543 3.0543 3.0543 3.4564 3.4564 3.4564 3.4564 3.7000 3.7000 3.7000 3.7000 5.1726 5.1726 5.1726 5.1726 5.5689 5.5689 5.5689 5.5689 9.8096 9.8096 9.8096 9.8096 11.0045 11.0045 11.0045 11.0045 11.6575 11.6575 k = 0.0000 0.4325 0.1301 ( 5092 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9933 -20.9933 -20.9933 -20.9933 -7.6845 -7.6845 -7.6845 -7.6845 -5.9036 -5.9036 -5.9036 -5.9036 2.5434 2.5434 2.5434 2.5434 3.0638 3.0638 3.0638 3.0638 3.4549 3.4549 3.4549 3.4549 3.6468 3.6468 3.6468 3.6468 5.2029 5.2029 5.2029 5.2029 5.5783 5.5783 5.5783 5.5783 9.8123 9.8123 9.8123 9.8123 10.9746 10.9746 10.9746 10.9746 11.6546 11.6546 k = 0.0000 0.4325 0.1409 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6845 -7.6845 -7.6845 -7.6845 -5.9037 -5.9037 -5.9037 -5.9037 2.5581 2.5581 2.5581 2.5581 3.0747 3.0747 3.0747 3.0747 3.4523 3.4523 3.4523 3.4523 3.5974 3.5974 3.5974 3.5974 5.2286 5.2286 5.2286 5.2286 5.5880 5.5880 5.5880 5.5880 9.8149 9.8149 9.8149 9.8149 10.9470 10.9470 10.9470 10.9470 11.6520 11.6520 k = 0.0000 0.4325 0.1518 ( 5098 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6845 -7.6845 -7.6845 -7.6845 -5.9037 -5.9037 -5.9037 -5.9037 2.5717 2.5717 2.5717 2.5717 3.0870 3.0870 3.0870 3.0870 3.4477 3.4477 3.4477 3.4477 3.5535 3.5535 3.5535 3.5535 5.2497 5.2497 5.2497 5.2497 5.5977 5.5977 5.5977 5.5977 9.8173 9.8173 9.8173 9.8173 10.9223 10.9223 10.9223 10.9223 11.6497 11.6497 k = 0.0000 0.4325 0.1626 ( 5100 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6845 -7.6845 -7.6845 -7.6845 -5.9038 -5.9038 -5.9038 -5.9038 2.5837 2.5837 2.5837 2.5837 3.1003 3.1003 3.1003 3.1003 3.4389 3.4389 3.4389 3.4389 3.5184 3.5184 3.5184 3.5184 5.2665 5.2665 5.2665 5.2665 5.6067 5.6067 5.6067 5.6067 9.8194 9.8194 9.8194 9.8194 10.9012 10.9012 10.9012 10.9012 11.6477 11.6477 k = 0.0000 0.4325 0.1735 ( 5106 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8107 -28.8107 -28.8107 -28.8107 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6845 -7.6845 -7.6845 -7.6845 -5.9038 -5.9038 -5.9038 -5.9038 2.5937 2.5937 2.5937 2.5937 3.1139 3.1139 3.1139 3.1139 3.4234 3.4234 3.4234 3.4234 3.4959 3.4959 3.4959 3.4959 5.2791 5.2791 5.2791 5.2791 5.6145 5.6145 5.6145 5.6145 9.8212 9.8212 9.8212 9.8212 10.8842 10.8842 10.8842 10.8842 11.6462 11.6462 k = 0.0000 0.4325 0.1843 ( 5110 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8107 -28.8107 -28.8107 -28.8107 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6845 -7.6845 -7.6845 -7.6845 -5.9039 -5.9039 -5.9039 -5.9039 2.6011 2.6011 2.6011 2.6011 3.1263 3.1263 3.1263 3.1263 3.4041 3.4041 3.4041 3.4041 3.4848 3.4848 3.4848 3.4848 5.2878 5.2878 5.2878 5.2878 5.6205 5.6205 5.6205 5.6205 9.8225 9.8225 9.8225 9.8225 10.8717 10.8717 10.8717 10.8717 11.6451 11.6451 k = 0.0000 0.4325 0.1951 ( 5094 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6844 -7.6844 -7.6844 -7.6844 -5.9039 -5.9039 -5.9039 -5.9039 2.6057 2.6057 2.6057 2.6057 3.1354 3.1354 3.1354 3.1354 3.3887 3.3887 3.3887 3.3887 3.4802 3.4802 3.4802 3.4802 5.2930 5.2930 5.2930 5.2930 5.6243 5.6243 5.6243 5.6243 9.8233 9.8233 9.8233 9.8233 10.8641 10.8641 10.8641 10.8641 11.6444 11.6444 k = 0.0000 0.4325 0.2060 ( 5096 PWs) bands (ev): -54.4636 -54.4636 -54.4636 -54.4636 -28.8106 -28.8106 -28.8106 -28.8106 -21.3087 -21.3087 -21.3087 -21.3087 -20.9934 -20.9934 -20.9934 -20.9934 -7.6844 -7.6844 -7.6844 -7.6844 -5.9039 -5.9039 -5.9039 -5.9039 2.6073 2.6073 2.6073 2.6073 3.1387 3.1387 3.1388 3.1388 3.3829 3.3829 3.3830 3.3830 3.4789 3.4789 3.4789 3.4789 5.2947 5.2947 5.2947 5.2947 5.6256 5.6256 5.6256 5.6256 9.8236 9.8236 9.8236 9.8236 10.8616 10.8616 10.8616 10.8616 11.6442 11.6442 k = 0.5000-0.0000 0.2060 ( 5060 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8283 -28.8283 -28.8283 -28.8283 -21.3161 -21.3161 -21.3161 -21.3161 -21.0616 -21.0616 -21.0616 -21.0616 -7.3978 -7.3978 -7.3978 -7.3978 -6.4250 -6.4250 -6.4250 -6.4250 2.3776 2.3776 2.3776 2.3776 3.5341 3.5341 3.5341 3.5341 3.9859 3.9859 3.9859 3.9859 4.0454 4.0454 4.0454 4.0454 5.4614 5.4614 5.4614 5.4614 5.5771 5.5771 5.5771 5.5771 10.5834 10.5834 10.5834 10.5834 10.8005 10.8005 10.8005 10.8005 11.3562 11.3562 k = 0.5000-0.0000 0.1951 ( 5052 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8282 -28.8282 -28.8282 -28.8282 -21.3161 -21.3161 -21.3161 -21.3161 -21.0615 -21.0615 -21.0615 -21.0615 -7.3978 -7.3978 -7.3978 -7.3978 -6.4250 -6.4250 -6.4250 -6.4250 2.3782 2.3782 2.3782 2.3782 3.5321 3.5321 3.5321 3.5321 3.9836 3.9836 3.9836 3.9836 4.0491 4.0491 4.0491 4.0491 5.4614 5.4614 5.4614 5.4614 5.5772 5.5772 5.5772 5.5772 10.5836 10.5836 10.5836 10.5836 10.8011 10.8011 10.8011 10.8011 11.3565 11.3565 k = 0.5000-0.0000 0.1843 ( 5058 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8283 -28.8283 -28.8283 -28.8283 -21.3161 -21.3161 -21.3161 -21.3161 -21.0616 -21.0616 -21.0616 -21.0616 -7.3978 -7.3978 -7.3978 -7.3978 -6.4250 -6.4250 -6.4250 -6.4250 2.3799 2.3799 2.3799 2.3799 3.5261 3.5261 3.5261 3.5261 3.9780 3.9780 3.9780 3.9780 4.0589 4.0589 4.0589 4.0589 5.4614 5.4614 5.4614 5.4614 5.5775 5.5775 5.5775 5.5775 10.5842 10.5842 10.5842 10.5842 10.8029 10.8029 10.8029 10.8029 11.3577 11.3577 k = 0.5000-0.0000 0.1735 ( 5076 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8283 -28.8283 -28.8283 -28.8283 -21.3162 -21.3162 -21.3162 -21.3162 -21.0616 -21.0616 -21.0616 -21.0616 -7.3978 -7.3978 -7.3978 -7.3978 -6.4251 -6.4251 -6.4251 -6.4251 2.3828 2.3828 2.3828 2.3828 3.5165 3.5165 3.5165 3.5165 3.9713 3.9713 3.9713 3.9713 4.0724 4.0724 4.0724 4.0724 5.4613 5.4613 5.4613 5.4613 5.5779 5.5779 5.5779 5.5779 10.5852 10.5852 10.5852 10.5852 10.8059 10.8059 10.8059 10.8059 11.3595 11.3595 k = 0.5000-0.0000 0.1626 ( 5076 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8283 -28.8283 -28.8283 -28.8283 -21.3162 -21.3162 -21.3162 -21.3162 -21.0616 -21.0616 -21.0616 -21.0616 -7.3978 -7.3978 -7.3978 -7.3978 -6.4251 -6.4251 -6.4251 -6.4251 2.3867 2.3867 2.3867 2.3867 3.5036 3.5036 3.5036 3.5036 3.9648 3.9648 3.9648 3.9648 4.0878 4.0878 4.0878 4.0878 5.4612 5.4612 5.4612 5.4612 5.5786 5.5786 5.5786 5.5786 10.5865 10.5865 10.5865 10.5865 10.8103 10.8103 10.8103 10.8103 11.3620 11.3620 k = 0.5000-0.0000 0.1518 ( 5080 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8283 -28.8283 -28.8283 -28.8283 -21.3162 -21.3162 -21.3162 -21.3162 -21.0616 -21.0616 -21.0616 -21.0616 -7.3977 -7.3977 -7.3977 -7.3977 -6.4252 -6.4252 -6.4252 -6.4252 2.3916 2.3916 2.3916 2.3916 3.4879 3.4879 3.4879 3.4879 3.9589 3.9589 3.9589 3.9589 4.1043 4.1043 4.1043 4.1043 5.4611 5.4611 5.4611 5.4611 5.5793 5.5793 5.5793 5.5793 10.5880 10.5880 10.5880 10.5880 10.8159 10.8159 10.8159 10.8159 11.3650 11.3650 k = 0.5000-0.0000 0.1409 ( 5086 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3977 -7.3977 -7.3977 -7.3977 -6.4252 -6.4252 -6.4252 -6.4252 2.3974 2.3974 2.3974 2.3974 3.4701 3.4701 3.4701 3.4701 3.9539 3.9539 3.9539 3.9539 4.1212 4.1212 4.1212 4.1212 5.4610 5.4610 5.4610 5.4610 5.5802 5.5802 5.5802 5.5802 10.5895 10.5895 10.5895 10.5895 10.8230 10.8230 10.8230 10.8230 11.3685 11.3685 k = 0.5000-0.0000 0.1301 ( 5090 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3976 -7.3976 -7.3976 -7.3976 -6.4253 -6.4253 -6.4253 -6.4253 2.4041 2.4041 2.4041 2.4041 3.4506 3.4506 3.4506 3.4506 3.9496 3.9496 3.9496 3.9496 4.1381 4.1381 4.1381 4.1381 5.4608 5.4608 5.4608 5.4608 5.5812 5.5812 5.5812 5.5812 10.5910 10.5910 10.5910 10.5910 10.8314 10.8314 10.8314 10.8314 11.3723 11.3723 k = 0.5000-0.0000 0.1192 ( 5100 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3976 -7.3976 -7.3976 -7.3976 -6.4254 -6.4254 -6.4254 -6.4254 2.4114 2.4114 2.4114 2.4114 3.4301 3.4301 3.4301 3.4301 3.9461 3.9461 3.9461 3.9461 4.1547 4.1547 4.1547 4.1547 5.4607 5.4607 5.4607 5.4607 5.5823 5.5823 5.5823 5.5823 10.5924 10.5924 10.5924 10.5924 10.8411 10.8411 10.8411 10.8411 11.3764 11.3764 k = 0.5000-0.0000 0.1084 ( 5100 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3976 -7.3976 -7.3976 -7.3976 -6.4255 -6.4255 -6.4255 -6.4255 2.4192 2.4192 2.4192 2.4192 3.4090 3.4090 3.4090 3.4090 3.9432 3.9432 3.9432 3.9432 4.1706 4.1706 4.1706 4.1706 5.4605 5.4605 5.4605 5.4605 5.5835 5.5835 5.5835 5.5835 10.5935 10.5935 10.5935 10.5935 10.8519 10.8519 10.8519 10.8519 11.3806 11.3806 k = 0.5000-0.0000 0.0976 ( 5092 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3975 -7.3975 -7.3975 -7.3975 -6.4256 -6.4256 -6.4256 -6.4256 2.4273 2.4273 2.4273 2.4273 3.3880 3.3880 3.3880 3.3880 3.9409 3.9409 3.9409 3.9409 4.1856 4.1856 4.1856 4.1856 5.4603 5.4603 5.4603 5.4603 5.5847 5.5847 5.5847 5.5847 10.5944 10.5944 10.5944 10.5944 10.8636 10.8636 10.8636 10.8636 11.3847 11.3847 k = 0.5000-0.0000 0.0867 ( 5106 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3975 -7.3975 -7.3975 -7.3975 -6.4256 -6.4256 -6.4256 -6.4256 2.4356 2.4356 2.4356 2.4356 3.3676 3.3676 3.3676 3.3676 3.9390 3.9390 3.9390 3.9390 4.1995 4.1995 4.1995 4.1995 5.4601 5.4601 5.4601 5.4601 5.5859 5.5859 5.5859 5.5859 10.5951 10.5951 10.5951 10.5951 10.8760 10.8760 10.8760 10.8760 11.3887 11.3887 k = 0.5000-0.0000 0.0759 ( 5106 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3974 -7.3974 -7.3974 -7.3974 -6.4257 -6.4257 -6.4257 -6.4257 2.4437 2.4437 2.4437 2.4437 3.3481 3.3481 3.3481 3.3481 3.9375 3.9375 3.9375 3.9375 4.2121 4.2121 4.2121 4.2121 5.4600 5.4600 5.4600 5.4600 5.5870 5.5870 5.5870 5.5870 10.5955 10.5955 10.5955 10.5955 10.8887 10.8887 10.8887 10.8887 11.3924 11.3924 k = 0.5000-0.0000 0.0650 ( 5122 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8285 -28.8285 -28.8285 -28.8285 -21.3163 -21.3163 -21.3163 -21.3163 -21.0618 -21.0618 -21.0618 -21.0618 -7.3974 -7.3974 -7.3974 -7.3974 -6.4258 -6.4258 -6.4258 -6.4258 2.4516 2.4516 2.4516 2.4516 3.3301 3.3301 3.3301 3.3301 3.9363 3.9363 3.9363 3.9363 4.2233 4.2233 4.2233 4.2233 5.4598 5.4598 5.4598 5.4598 5.5881 5.5881 5.5881 5.5881 10.5958 10.5958 10.5958 10.5958 10.9012 10.9012 10.9012 10.9012 11.3958 11.3958 k = 0.5000-0.0000 0.0542 ( 5118 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8285 -28.8285 -28.8285 -28.8285 -21.3163 -21.3163 -21.3163 -21.3163 -21.0618 -21.0618 -21.0618 -21.0618 -7.3973 -7.3973 -7.3973 -7.3973 -6.4258 -6.4258 -6.4258 -6.4258 2.4588 2.4588 2.4588 2.4588 3.3140 3.3140 3.3140 3.3140 3.9353 3.9353 3.9353 3.9353 4.2330 4.2330 4.2330 4.2330 5.4597 5.4597 5.4597 5.4597 5.5890 5.5890 5.5890 5.5890 10.5959 10.5959 10.5959 10.5959 10.9130 10.9130 10.9130 10.9130 11.3987 11.3987 k = 0.5000-0.0000 0.0434 ( 5110 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3163 -21.3163 -21.3163 -21.3163 -21.0617 -21.0617 -21.0617 -21.0617 -7.3973 -7.3973 -7.3973 -7.3973 -6.4259 -6.4259 -6.4259 -6.4259 2.4651 2.4651 2.4651 2.4651 3.3002 3.3002 3.3002 3.3002 3.9346 3.9346 3.9346 3.9346 4.2410 4.2410 4.2410 4.2410 5.4595 5.4595 5.4595 5.4595 5.5898 5.5898 5.5898 5.5898 10.5959 10.5959 10.5959 10.5959 10.9236 10.9236 10.9236 10.9236 11.4011 11.4011 k = 0.5000-0.0000 0.0325 ( 5102 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3973 -7.3973 -7.3973 -7.3973 -6.4259 -6.4259 -6.4259 -6.4259 2.4704 2.4704 2.4704 2.4704 3.2891 3.2891 3.2891 3.2891 3.9341 3.9341 3.9341 3.9341 4.2473 4.2473 4.2473 4.2473 5.4594 5.4594 5.4594 5.4594 5.5905 5.5905 5.5905 5.5905 10.5959 10.5959 10.5959 10.5959 10.9325 10.9325 10.9325 10.9325 11.4030 11.4030 k = 0.5000-0.0000 0.0217 ( 5094 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3972 -7.3972 -7.3972 -7.3972 -6.4260 -6.4260 -6.4260 -6.4260 2.4743 2.4743 2.4743 2.4743 3.2809 3.2809 3.2809 3.2809 3.9337 3.9337 3.9337 3.9337 4.2518 4.2518 4.2518 4.2518 5.4594 5.4594 5.4594 5.4594 5.5910 5.5910 5.5910 5.5910 10.5958 10.5958 10.5958 10.5958 10.9393 10.9393 10.9393 10.9393 11.4044 11.4044 k = 0.5000-0.0000 0.0108 ( 5098 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3972 -7.3972 -7.3972 -7.3972 -6.4260 -6.4260 -6.4260 -6.4260 2.4767 2.4767 2.4767 2.4767 3.2759 3.2759 3.2759 3.2759 3.9335 3.9335 3.9335 3.9335 4.2546 4.2546 4.2546 4.2546 5.4593 5.4593 5.4593 5.4593 5.5913 5.5913 5.5913 5.5913 10.5958 10.5958 10.5958 10.5958 10.9435 10.9435 10.9435 10.9435 11.4052 11.4052 k = 0.5000-0.0000-0.0000 ( 5100 PWs) bands (ev): -54.4593 -54.4593 -54.4593 -54.4593 -28.8284 -28.8284 -28.8284 -28.8284 -21.3162 -21.3162 -21.3162 -21.3162 -21.0617 -21.0617 -21.0617 -21.0617 -7.3972 -7.3972 -7.3972 -7.3972 -6.4260 -6.4260 -6.4260 -6.4260 2.4776 2.4776 2.4776 2.4776 3.2742 3.2742 3.2742 3.2742 3.9335 3.9335 3.9335 3.9335 4.2555 4.2555 4.2555 4.2555 5.4593 5.4593 5.4593 5.4593 5.5914 5.5914 5.5914 5.5914 10.5958 10.5958 10.5958 10.5958 10.9449 10.9449 10.9449 10.9449 11.4055 11.4055 k = 0.5000 0.4325-0.0000 ( 5088 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5216 1.5216 1.5216 1.5216 3.0500 3.0500 3.0500 3.0500 3.8585 3.8585 3.8585 3.8585 4.2141 4.2141 4.2141 4.2141 4.8383 4.8383 4.8383 4.8383 4.9859 4.9859 4.9859 4.9859 10.4068 10.4068 10.4068 10.4068 10.5919 10.5919 10.5919 10.5919 12.2554 12.2554 k = 0.5000 0.4325 0.0108 ( 5096 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5218 1.5218 1.5218 1.5218 3.0495 3.0495 3.0495 3.0495 3.8586 3.8586 3.8586 3.8586 4.2131 4.2131 4.2131 4.2131 4.8397 4.8397 4.8397 4.8397 4.9859 4.9859 4.9859 4.9859 10.4068 10.4068 10.4068 10.4068 10.5921 10.5921 10.5921 10.5921 12.2526 12.2526 k = 0.5000 0.4325 0.0217 ( 5100 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5223 1.5223 1.5223 1.5223 3.0482 3.0482 3.0482 3.0482 3.8590 3.8590 3.8590 3.8590 4.2102 4.2102 4.2102 4.2102 4.8437 4.8437 4.8437 4.8437 4.9857 4.9857 4.9857 4.9857 10.4069 10.4069 10.4069 10.4069 10.5928 10.5928 10.5928 10.5928 12.2443 12.2443 k = 0.5000 0.4325 0.0325 ( 5092 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5233 1.5233 1.5233 1.5233 3.0461 3.0461 3.0461 3.0461 3.8595 3.8595 3.8595 3.8595 4.2056 4.2056 4.2056 4.2056 4.8501 4.8501 4.8501 4.8501 4.9856 4.9856 4.9856 4.9856 10.4070 10.4070 10.4070 10.4070 10.5941 10.5941 10.5941 10.5941 12.2309 12.2309 k = 0.5000 0.4325 0.0434 ( 5100 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5245 1.5245 1.5245 1.5245 3.0431 3.0431 3.0431 3.0431 3.8603 3.8603 3.8603 3.8603 4.1995 4.1995 4.1995 4.1995 4.8584 4.8584 4.8584 4.8584 4.9856 4.9856 4.9856 4.9856 10.4072 10.4072 10.4072 10.4072 10.5957 10.5957 10.5957 10.5957 12.2127 12.2127 k = 0.5000 0.4325 0.0542 ( 5100 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5261 1.5261 1.5261 1.5261 3.0395 3.0395 3.0395 3.0395 3.8613 3.8613 3.8613 3.8613 4.1922 4.1922 4.1922 4.1922 4.8681 4.8681 4.8681 4.8681 4.9860 4.9860 4.9860 4.9860 10.4074 10.4074 10.4074 10.4074 10.5979 10.5979 10.5979 10.5979 12.1903 12.1903 k = 0.5000 0.4325 0.0650 ( 5100 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5279 1.5279 1.5279 1.5279 3.0352 3.0352 3.0352 3.0352 3.8624 3.8624 3.8624 3.8624 4.1841 4.1841 4.1841 4.1841 4.8784 4.8784 4.8784 4.8784 4.9870 4.9870 4.9870 4.9870 10.4076 10.4076 10.4076 10.4076 10.6004 10.6004 10.6004 10.6004 12.1646 12.1646 k = 0.5000 0.4325 0.0759 ( 5116 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0510 -21.0510 -21.0510 -21.0510 -7.3154 -7.3154 -7.3154 -7.3154 -5.5689 -5.5689 -5.5689 -5.5689 1.5299 1.5299 1.5299 1.5299 3.0304 3.0304 3.0304 3.0304 3.8636 3.8636 3.8636 3.8636 4.1755 4.1755 4.1755 4.1755 4.8886 4.8886 4.8886 4.8886 4.9891 4.9891 4.9891 4.9891 10.4079 10.4079 10.4079 10.4079 10.6034 10.6034 10.6034 10.6034 12.1363 12.1363 k = 0.5000 0.4325 0.0867 ( 5116 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0510 -21.0510 -21.0510 -21.0510 -7.3154 -7.3154 -7.3154 -7.3154 -5.5688 -5.5688 -5.5688 -5.5688 1.5321 1.5321 1.5321 1.5321 3.0252 3.0252 3.0252 3.0252 3.8649 3.8649 3.8649 3.8649 4.1667 4.1667 4.1667 4.1667 4.8977 4.8977 4.8977 4.8977 4.9927 4.9927 4.9927 4.9927 10.4081 10.4081 10.4081 10.4081 10.6068 10.6068 10.6068 10.6068 12.1062 12.1062 k = 0.5000 0.4325 0.0976 ( 5112 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0510 -21.0510 -21.0510 -21.0510 -7.3154 -7.3154 -7.3154 -7.3154 -5.5688 -5.5688 -5.5688 -5.5688 1.5344 1.5344 1.5344 1.5344 3.0198 3.0198 3.0198 3.0198 3.8663 3.8663 3.8663 3.8663 4.1580 4.1580 4.1580 4.1580 4.9051 4.9051 4.9051 4.9051 4.9982 4.9982 4.9982 4.9982 10.4083 10.4083 10.4083 10.4083 10.6104 10.6104 10.6104 10.6104 12.0754 12.0754 k = 0.5000 0.4325 0.1084 ( 5108 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5688 -5.5688 -5.5688 -5.5688 1.5368 1.5368 1.5368 1.5368 3.0143 3.0143 3.0143 3.0143 3.8676 3.8676 3.8676 3.8676 4.1496 4.1496 4.1496 4.1496 4.9104 4.9104 4.9104 4.9104 5.0054 5.0054 5.0054 5.0054 10.4085 10.4085 10.4085 10.4085 10.6142 10.6142 10.6142 10.6142 12.0445 12.0445 k = 0.5000 0.4325 0.1192 ( 5104 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0510 -21.0510 -21.0510 -21.0510 -7.3154 -7.3154 -7.3154 -7.3154 -5.5688 -5.5688 -5.5688 -5.5688 1.5392 1.5392 1.5392 1.5392 3.0089 3.0089 3.0089 3.0089 3.8690 3.8690 3.8690 3.8690 4.1417 4.1417 4.1417 4.1417 4.9138 4.9138 4.9138 4.9138 5.0141 5.0141 5.0141 5.0141 10.4086 10.4086 10.4086 10.4086 10.6182 10.6182 10.6182 10.6182 12.0144 12.0144 k = 0.5000 0.4325 0.1301 ( 5104 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3841 -21.3841 -21.3841 -21.3841 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5688 -5.5688 -5.5688 -5.5688 1.5414 1.5414 1.5414 1.5414 3.0036 3.0036 3.0036 3.0036 3.8703 3.8703 3.8703 3.8703 4.1345 4.1345 4.1345 4.1345 4.9156 4.9156 4.9156 4.9156 5.0236 5.0236 5.0236 5.0236 10.4088 10.4088 10.4088 10.4088 10.6222 10.6222 10.6222 10.6222 11.9858 11.9858 k = 0.5000 0.4325 0.1409 ( 5096 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8370 -28.8370 -28.8370 -28.8370 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5688 -5.5688 -5.5688 -5.5688 1.5435 1.5435 1.5435 1.5435 2.9988 2.9988 2.9988 2.9988 3.8714 3.8714 3.8714 3.8714 4.1280 4.1280 4.1280 4.1280 4.9163 4.9163 4.9163 4.9163 5.0332 5.0332 5.0332 5.0332 10.4089 10.4089 10.4089 10.4089 10.6260 10.6260 10.6260 10.6260 11.9596 11.9596 k = 0.5000 0.4325 0.1518 ( 5092 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5688 -5.5688 -5.5688 -5.5688 1.5454 1.5454 1.5454 1.5454 2.9943 2.9943 2.9943 2.9943 3.8725 3.8725 3.8725 3.8725 4.1225 4.1225 4.1225 4.1225 4.9162 4.9162 4.9162 4.9162 5.0422 5.0422 5.0422 5.0422 10.4090 10.4090 10.4090 10.4090 10.6296 10.6296 10.6296 10.6296 11.9362 11.9362 k = 0.5000 0.4325 0.1626 ( 5080 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5687 -5.5687 -5.5687 -5.5687 1.5471 1.5471 1.5471 1.5471 2.9906 2.9906 2.9906 2.9906 3.8734 3.8734 3.8734 3.8734 4.1178 4.1178 4.1178 4.1178 4.9158 4.9158 4.9158 4.9158 5.0501 5.0501 5.0501 5.0501 10.4091 10.4091 10.4091 10.4091 10.6328 10.6328 10.6328 10.6328 11.9162 11.9162 k = 0.5000 0.4325 0.1735 ( 5080 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5687 -5.5687 -5.5687 -5.5687 1.5484 1.5484 1.5484 1.5484 2.9875 2.9875 2.9875 2.9875 3.8741 3.8741 3.8741 3.8741 4.1142 4.1142 4.1142 4.1142 4.9153 4.9153 4.9153 4.9153 5.0567 5.0567 5.0567 5.0567 10.4091 10.4091 10.4091 10.4091 10.6354 10.6354 10.6354 10.6354 11.9002 11.9002 k = 0.5000 0.4325 0.1843 ( 5080 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5687 -5.5687 -5.5687 -5.5687 1.5494 1.5494 1.5494 1.5494 2.9852 2.9852 2.9852 2.9852 3.8746 3.8746 3.8746 3.8746 4.1116 4.1116 4.1116 4.1116 4.9148 4.9148 4.9148 4.9148 5.0615 5.0615 5.0615 5.0615 10.4091 10.4091 10.4091 10.4091 10.6374 10.6374 10.6374 10.6374 11.8884 11.8884 k = 0.5000 0.4325 0.1951 ( 5080 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5687 -5.5687 -5.5687 -5.5687 1.5500 1.5500 1.5500 1.5500 2.9839 2.9839 2.9839 2.9839 3.8749 3.8749 3.8749 3.8749 4.1100 4.1100 4.1100 4.1100 4.9145 4.9145 4.9145 4.9145 5.0645 5.0645 5.0645 5.0645 10.4091 10.4091 10.4091 10.4091 10.6386 10.6386 10.6386 10.6386 11.8813 11.8813 k = 0.5000 0.4325 0.2060 ( 5080 PWs) bands (ev): -54.4587 -54.4587 -54.4587 -54.4587 -28.8369 -28.8369 -28.8369 -28.8369 -21.3840 -21.3840 -21.3840 -21.3840 -21.0509 -21.0509 -21.0509 -21.0509 -7.3154 -7.3154 -7.3154 -7.3154 -5.5687 -5.5687 -5.5687 -5.5687 1.5502 1.5502 1.5502 1.5502 2.9834 2.9834 2.9834 2.9834 3.8750 3.8750 3.8750 3.8750 4.1095 4.1095 4.1095 4.1095 4.9144 4.9144 4.9144 4.9144 5.0655 5.0655 5.0655 5.0655 10.4092 10.4092 10.4092 10.4092 10.6390 10.6390 10.6390 10.6390 11.8789 11.8789 Writing output data file HfBrN.save init_run : 0.31s CPU 0.72s WALL ( 1 calls) electrons : 223.45s CPU 229.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 223.43s CPU 229.05s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.13s WALL ( 424 calls) cegterg : 205.61s CPU 208.61s WALL ( 502 calls) Called by sum_band: Called by *egterg: h_psi : 102.28s CPU 104.64s WALL ( 8973 calls) s_psi : 5.65s CPU 5.63s WALL ( 8973 calls) g_psi : 0.41s CPU 0.38s WALL ( 8047 calls) cdiaghg : 82.12s CPU 82.80s WALL ( 8471 calls) cegterg:over : 10.48s CPU 10.60s WALL ( 8047 calls) cegterg:upda : 9.36s CPU 9.54s WALL ( 8047 calls) cegterg:last : 4.77s CPU 4.75s WALL ( 1350 calls) cdiaghg:chol : 4.69s CPU 4.70s WALL ( 8471 calls) cdiaghg:inve : 3.29s CPU 3.35s WALL ( 8471 calls) cdiaghg:para : 5.22s CPU 5.38s WALL ( 16942 calls) Called by h_psi: h_psi:vloc : 88.34s CPU 90.49s WALL ( 8973 calls) h_psi:vnl : 13.54s CPU 13.72s WALL ( 8973 calls) add_vuspsi : 6.55s CPU 6.57s WALL ( 8973 calls) General routines calbec : 6.95s CPU 7.12s WALL ( 8973 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 82.13s CPU 84.32s WALL ( 1073108 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.36s WALL ( 848 calls) Parallel routines fft_scatter : 31.48s CPU 32.60s WALL ( 1073131 calls) PWSCF : 4m 8.31s CPU 4m55.03s WALL This run was terminated on: 16: 8:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=