Program PWSCF v.5.1.1 starts on 30Oct2015 at 15:14:22 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./AlB3N4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 15 4 800 307 52 Max 29 16 6 805 332 57 Sum 1369 749 233 38497 15419 2601 bravais-lattice index = 14 lattice parameter (alat) = 7.2962 a.u. unit-cell volume = 388.4149 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.296232 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for N read from file: /home/autes/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 PseudoPot. # 2 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) B 3.00 10.81100 B( 1.00) Al 3.00 26.98150 Al( 1.00) 24 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6s_d 6S4 -6S4 -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 0.00 1.41 -1.41 G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.41 1.41 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 8C3 5 7 8 6 12 9 10 11 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 6S4 15 16 20 19 23 24 -E -1 -8C3 -5 -7 -8 -6 -12 -9 -10 -11 -6S4 -15 -16 -20 -19 -23 -24 Cartesian axes number of k points= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 -0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 -0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 -0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 -0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 -0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 -0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 -0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 -0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 -0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 -0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 -0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 -0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 -0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 -0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 -0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 -0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 -0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 -0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 -0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 -0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 -0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 -0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 -0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 -0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 -0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 -0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 -0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 -0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 -0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 -0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 -0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 -0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 -0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 -0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 -0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 -0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 -0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 -0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 -0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 -0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 -0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 -0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 -0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 -0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 -0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 -0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 -0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 -0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 -0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 -0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 -0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 -0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 -0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 -0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 -0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 -0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 -0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 -0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 -0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 -0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 -0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 -0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 -0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 -0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 -0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 -0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 -0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 -0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 -0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 -0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 -0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 -0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 -0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 -0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 -0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 -0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 -0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 -0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 -0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 -0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568965 -0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 -0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 -0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 -0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 -0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 -0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 -0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 -0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 -0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 -0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 -0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 -0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 -0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 -0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 -0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 -0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 -0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 -0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 -0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 -0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 -0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 -0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 -0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 -0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068965 -0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 -0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 -0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 -0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 -0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 -0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 -0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 -0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 -0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 -0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 -0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 -0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 -0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 -0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431034 -0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 -0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 -0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 -0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985915 0.0985915), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901408 0.1901408), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098591 0.3098591), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014084 0.4014084), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568965), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068965), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431034), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048780), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0000000 0.0121951 0.0000000), wk = 0.0031646 k( 3) = ( 0.0000000 0.0243902 0.0000000), wk = 0.0031646 k( 4) = ( 0.0000000 0.0365854 0.0000000), wk = 0.0031646 k( 5) = ( 0.0000000 0.0487805 0.0000000), wk = 0.0031646 k( 6) = ( 0.0000000 0.0609756 0.0000000), wk = 0.0031646 k( 7) = ( 0.0000000 0.0731707 0.0000000), wk = 0.0031646 k( 8) = ( 0.0000000 0.0853658 0.0000000), wk = 0.0031646 k( 9) = ( 0.0000000 0.0975610 0.0000000), wk = 0.0031646 k( 10) = ( 0.0000000 0.1097561 0.0000000), wk = 0.0031646 k( 11) = ( 0.0000000 0.1219512 0.0000000), wk = 0.0031646 k( 12) = ( 0.0000000 0.1341463 0.0000000), wk = 0.0031646 k( 13) = ( 0.0000000 0.1463415 0.0000000), wk = 0.0031646 k( 14) = ( 0.0000000 0.1585366 0.0000000), wk = 0.0031646 k( 15) = ( 0.0000000 0.1707317 0.0000000), wk = 0.0031646 k( 16) = ( 0.0000000 0.1829268 0.0000000), wk = 0.0031646 k( 17) = ( 0.0000000 0.1951219 0.0000000), wk = 0.0031646 k( 18) = ( 0.0000000 0.2073171 0.0000000), wk = 0.0031646 k( 19) = ( 0.0000000 0.2195122 0.0000000), wk = 0.0031646 k( 20) = ( 0.0000000 0.2317073 0.0000000), wk = 0.0031646 k( 21) = ( 0.0000000 0.2439024 0.0000000), wk = 0.0031646 k( 22) = ( 0.0000000 0.2560976 0.0000000), wk = 0.0031646 k( 23) = ( 0.0000000 0.2682927 0.0000000), wk = 0.0031646 k( 24) = ( 0.0000000 0.2804878 0.0000000), wk = 0.0031646 k( 25) = ( 0.0000000 0.2926829 0.0000000), wk = 0.0031646 k( 26) = ( 0.0000000 0.3048781 0.0000000), wk = 0.0031646 k( 27) = ( 0.0000000 0.3170732 0.0000000), wk = 0.0031646 k( 28) = ( 0.0000000 0.3292683 0.0000000), wk = 0.0031646 k( 29) = ( 0.0000000 0.3414634 0.0000000), wk = 0.0031646 k( 30) = ( 0.0000000 0.3536585 0.0000000), wk = 0.0031646 k( 31) = ( 0.0000000 0.3658537 0.0000000), wk = 0.0031646 k( 32) = ( 0.0000000 0.3780488 0.0000000), wk = 0.0031646 k( 33) = ( 0.0000000 0.3902439 0.0000000), wk = 0.0031646 k( 34) = ( 0.0000000 0.4024390 0.0000000), wk = 0.0031646 k( 35) = ( 0.0000000 0.4146341 0.0000000), wk = 0.0031646 k( 36) = ( 0.0000000 0.4268293 0.0000000), wk = 0.0031646 k( 37) = ( 0.0000000 0.4390244 0.0000000), wk = 0.0031646 k( 38) = ( 0.0000000 0.4512195 0.0000000), wk = 0.0031646 k( 39) = ( 0.0000000 0.4634146 0.0000000), wk = 0.0031646 k( 40) = ( 0.0000000 0.4756098 0.0000000), wk = 0.0031646 k( 41) = ( 0.0000000 0.4878049 0.0000000), wk = 0.0031646 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 44) = ( 0.0121951 0.5000000 0.0000000), wk = 0.0031646 k( 45) = ( 0.0243902 0.5000000 0.0000000), wk = 0.0031646 k( 46) = ( 0.0365854 0.5000000 0.0000000), wk = 0.0031646 k( 47) = ( 0.0487805 0.5000000 0.0000000), wk = 0.0031646 k( 48) = ( 0.0609756 0.5000000 0.0000000), wk = 0.0031646 k( 49) = ( 0.0731707 0.5000000 0.0000000), wk = 0.0031646 k( 50) = ( 0.0853658 0.5000000 0.0000000), wk = 0.0031646 k( 51) = ( 0.0975610 0.5000000 0.0000000), wk = 0.0031646 k( 52) = ( 0.1097561 0.5000000 0.0000000), wk = 0.0031646 k( 53) = ( 0.1219512 0.5000000 0.0000000), wk = 0.0031646 k( 54) = ( 0.1341463 0.5000000 0.0000000), wk = 0.0031646 k( 55) = ( 0.1463415 0.5000000 0.0000000), wk = 0.0031646 k( 56) = ( 0.1585366 0.5000000 0.0000000), wk = 0.0031646 k( 57) = ( 0.1707317 0.5000000 0.0000000), wk = 0.0031646 k( 58) = ( 0.1829268 0.5000000 0.0000000), wk = 0.0031646 k( 59) = ( 0.1951219 0.5000000 0.0000000), wk = 0.0031646 k( 60) = ( 0.2073171 0.5000000 0.0000000), wk = 0.0031646 k( 61) = ( 0.2195122 0.5000000 0.0000000), wk = 0.0031646 k( 62) = ( 0.2317073 0.5000000 0.0000000), wk = 0.0031646 k( 63) = ( 0.2439024 0.5000000 0.0000000), wk = 0.0031646 k( 64) = ( 0.2560976 0.5000000 0.0000000), wk = 0.0031646 k( 65) = ( 0.2682927 0.5000000 0.0000000), wk = 0.0031646 k( 66) = ( 0.2804878 0.5000000 -0.0000000), wk = 0.0031646 k( 67) = ( 0.2926829 0.5000000 0.0000000), wk = 0.0031646 k( 68) = ( 0.3048781 0.5000000 -0.0000000), wk = 0.0031646 k( 69) = ( 0.3170732 0.5000000 0.0000000), wk = 0.0031646 k( 70) = ( 0.3292683 0.5000000 0.0000000), wk = 0.0031646 k( 71) = ( 0.3414634 0.5000000 0.0000000), wk = 0.0031646 k( 72) = ( 0.3536585 0.5000000 0.0000000), wk = 0.0031646 k( 73) = ( 0.3658537 0.5000000 0.0000000), wk = 0.0031646 k( 74) = ( 0.3780488 0.5000000 0.0000000), wk = 0.0031646 k( 75) = ( 0.3902439 0.5000000 0.0000000), wk = 0.0031646 k( 76) = ( 0.4024390 0.5000000 0.0000000), wk = 0.0031646 k( 77) = ( 0.4146341 0.5000000 0.0000000), wk = 0.0031646 k( 78) = ( 0.4268293 0.5000000 0.0000000), wk = 0.0031646 k( 79) = ( 0.4390244 0.5000000 0.0000000), wk = 0.0031646 k( 80) = ( 0.4512195 0.5000000 -0.0000000), wk = 0.0031646 k( 81) = ( 0.4634146 0.5000000 0.0000000), wk = 0.0031646 k( 82) = ( 0.4756098 0.5000000 0.0000000), wk = 0.0031646 k( 83) = ( 0.4878049 0.5000000 0.0000000), wk = 0.0031646 k( 84) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 85) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 86) = ( 0.4913793 0.4913793 0.0000000), wk = 0.0031646 k( 87) = ( 0.4827586 0.4827586 0.0000000), wk = 0.0031646 k( 88) = ( 0.4741379 0.4741379 0.0000000), wk = 0.0031646 k( 89) = ( 0.4655172 0.4655172 -0.0000000), wk = 0.0031646 k( 90) = ( 0.4568966 0.4568966 0.0000000), wk = 0.0031646 k( 91) = ( 0.4482759 0.4482759 0.0000000), wk = 0.0031646 k( 92) = ( 0.4396552 0.4396552 0.0000000), wk = 0.0031646 k( 93) = ( 0.4310345 0.4310345 0.0000000), wk = 0.0031646 k( 94) = ( 0.4224138 0.4224138 0.0000000), wk = 0.0031646 k( 95) = ( 0.4137931 0.4137931 0.0000000), wk = 0.0031646 k( 96) = ( 0.4051724 0.4051724 0.0000000), wk = 0.0031646 k( 97) = ( 0.3965517 0.3965517 0.0000000), wk = 0.0031646 k( 98) = ( 0.3879310 0.3879310 -0.0000000), wk = 0.0031646 k( 99) = ( 0.3793103 0.3793103 0.0000000), wk = 0.0031646 k( 100) = ( 0.3706897 0.3706897 -0.0000000), wk = 0.0031646 k( 101) = ( 0.3620690 0.3620690 0.0000000), wk = 0.0031646 k( 102) = ( 0.3534483 0.3534483 0.0000000), wk = 0.0031646 k( 103) = ( 0.3448276 0.3448276 0.0000000), wk = 0.0031646 k( 104) = ( 0.3362069 0.3362069 0.0000000), wk = 0.0031646 k( 105) = ( 0.3275862 0.3275862 0.0000000), wk = 0.0031646 k( 106) = ( 0.3189655 0.3189655 0.0000000), wk = 0.0031646 k( 107) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0031646 k( 108) = ( 0.3017241 0.3017241 0.0000000), wk = 0.0031646 k( 109) = ( 0.2931034 0.2931034 -0.0000000), wk = 0.0031646 k( 110) = ( 0.2844828 0.2844828 0.0000000), wk = 0.0031646 k( 111) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0031646 k( 112) = ( 0.2672414 0.2672414 0.0000000), wk = 0.0031646 k( 113) = ( 0.2586207 0.2586207 0.0000000), wk = 0.0031646 k( 114) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031646 k( 115) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0031646 k( 116) = ( 0.2327586 0.2327586 -0.0000000), wk = 0.0031646 k( 117) = ( 0.2241379 0.2241379 0.0000000), wk = 0.0031646 k( 118) = ( 0.2155172 0.2155172 0.0000000), wk = 0.0031646 k( 119) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0031646 k( 120) = ( 0.1982759 0.1982759 0.0000000), wk = 0.0031646 k( 121) = ( 0.1896552 0.1896552 0.0000000), wk = 0.0031646 k( 122) = ( 0.1810345 0.1810345 0.0000000), wk = 0.0031646 k( 123) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0031646 k( 124) = ( 0.1637931 0.1637931 -0.0000000), wk = 0.0031646 k( 125) = ( 0.1551724 0.1551724 -0.0000000), wk = 0.0031646 k( 126) = ( 0.1465517 0.1465517 0.0000000), wk = 0.0031646 k( 127) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0031646 k( 128) = ( 0.1293103 0.1293103 0.0000000), wk = 0.0031646 k( 129) = ( 0.1206897 0.1206897 0.0000000), wk = 0.0031646 k( 130) = ( 0.1120690 0.1120690 0.0000000), wk = 0.0031646 k( 131) = ( 0.1034483 0.1034483 0.0000000), wk = 0.0031646 k( 132) = ( 0.0948276 0.0948276 0.0000000), wk = 0.0031646 k( 133) = ( 0.0862069 0.0862069 -0.0000000), wk = 0.0031646 k( 134) = ( 0.0775862 0.0775862 0.0000000), wk = 0.0031646 k( 135) = ( 0.0689655 0.0689655 0.0000000), wk = 0.0031646 k( 136) = ( 0.0603448 0.0603448 0.0000000), wk = 0.0031646 k( 137) = ( 0.0517241 0.0517241 0.0000000), wk = 0.0031646 k( 138) = ( 0.0431035 0.0431035 -0.0000000), wk = 0.0031646 k( 139) = ( 0.0344828 0.0344828 0.0000000), wk = 0.0031646 k( 140) = ( 0.0258621 0.0258621 0.0000000), wk = 0.0031646 k( 141) = ( 0.0172414 0.0172414 0.0000000), wk = 0.0031646 k( 142) = ( 0.0086207 0.0086207 0.0000000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0070422 0.0070422 0.0070422), wk = 0.0031646 k( 146) = ( 0.0140845 0.0140845 0.0140845), wk = 0.0031646 k( 147) = ( 0.0211268 0.0211268 0.0211268), wk = 0.0031646 k( 148) = ( 0.0281690 0.0281690 0.0281690), wk = 0.0031646 k( 149) = ( 0.0352113 0.0352113 0.0352113), wk = 0.0031646 k( 150) = ( 0.0422535 0.0422535 0.0422535), wk = 0.0031646 k( 151) = ( 0.0492958 0.0492958 0.0492958), wk = 0.0031646 k( 152) = ( 0.0563380 0.0563380 0.0563380), wk = 0.0031646 k( 153) = ( 0.0633803 0.0633803 0.0633803), wk = 0.0031646 k( 154) = ( 0.0704225 0.0704225 0.0704225), wk = 0.0031646 k( 155) = ( 0.0774648 0.0774648 0.0774648), wk = 0.0031646 k( 156) = ( 0.0845070 0.0845070 0.0845070), wk = 0.0031646 k( 157) = ( 0.0915493 0.0915493 0.0915493), wk = 0.0031646 k( 158) = ( 0.0985916 0.0985916 0.0985916), wk = 0.0031646 k( 159) = ( 0.1056338 0.1056338 0.1056338), wk = 0.0031646 k( 160) = ( 0.1126761 0.1126761 0.1126761), wk = 0.0031646 k( 161) = ( 0.1197183 0.1197183 0.1197183), wk = 0.0031646 k( 162) = ( 0.1267606 0.1267606 0.1267606), wk = 0.0031646 k( 163) = ( 0.1338028 0.1338028 0.1338028), wk = 0.0031646 k( 164) = ( 0.1408451 0.1408451 0.1408451), wk = 0.0031646 k( 165) = ( 0.1478873 0.1478873 0.1478873), wk = 0.0031646 k( 166) = ( 0.1549296 0.1549296 0.1549296), wk = 0.0031646 k( 167) = ( 0.1619718 0.1619718 0.1619718), wk = 0.0031646 k( 168) = ( 0.1690141 0.1690141 0.1690141), wk = 0.0031646 k( 169) = ( 0.1760563 0.1760563 0.1760563), wk = 0.0031646 k( 170) = ( 0.1830986 0.1830986 0.1830986), wk = 0.0031646 k( 171) = ( 0.1901409 0.1901409 0.1901409), wk = 0.0031646 k( 172) = ( 0.1971831 0.1971831 0.1971831), wk = 0.0031646 k( 173) = ( 0.2042253 0.2042253 0.2042253), wk = 0.0031646 k( 174) = ( 0.2112676 0.2112676 0.2112676), wk = 0.0031646 k( 175) = ( 0.2183099 0.2183099 0.2183099), wk = 0.0031646 k( 176) = ( 0.2253521 0.2253521 0.2253521), wk = 0.0031646 k( 177) = ( 0.2323944 0.2323944 0.2323944), wk = 0.0031646 k( 178) = ( 0.2394366 0.2394366 0.2394366), wk = 0.0031646 k( 179) = ( 0.2464789 0.2464789 0.2464789), wk = 0.0031646 k( 180) = ( 0.2535211 0.2535211 0.2535211), wk = 0.0031646 k( 181) = ( 0.2605634 0.2605634 0.2605634), wk = 0.0031646 k( 182) = ( 0.2676056 0.2676056 0.2676056), wk = 0.0031646 k( 183) = ( 0.2746479 0.2746479 0.2746479), wk = 0.0031646 k( 184) = ( 0.2816901 0.2816901 0.2816901), wk = 0.0031646 k( 185) = ( 0.2887324 0.2887324 0.2887324), wk = 0.0031646 k( 186) = ( 0.2957746 0.2957746 0.2957746), wk = 0.0031646 k( 187) = ( 0.3028169 0.3028169 0.3028169), wk = 0.0031646 k( 188) = ( 0.3098592 0.3098592 0.3098592), wk = 0.0031646 k( 189) = ( 0.3169014 0.3169014 0.3169014), wk = 0.0031646 k( 190) = ( 0.3239437 0.3239437 0.3239437), wk = 0.0031646 k( 191) = ( 0.3309859 0.3309859 0.3309859), wk = 0.0031646 k( 192) = ( 0.3380282 0.3380282 0.3380282), wk = 0.0031646 k( 193) = ( 0.3450704 0.3450704 0.3450704), wk = 0.0031646 k( 194) = ( 0.3521127 0.3521127 0.3521127), wk = 0.0031646 k( 195) = ( 0.3591549 0.3591549 0.3591549), wk = 0.0031646 k( 196) = ( 0.3661972 0.3661972 0.3661972), wk = 0.0031646 k( 197) = ( 0.3732394 0.3732394 0.3732394), wk = 0.0031646 k( 198) = ( 0.3802817 0.3802817 0.3802817), wk = 0.0031646 k( 199) = ( 0.3873239 0.3873239 0.3873239), wk = 0.0031646 k( 200) = ( 0.3943662 0.3943662 0.3943662), wk = 0.0031646 k( 201) = ( 0.4014085 0.4014085 0.4014085), wk = 0.0031646 k( 202) = ( 0.4084507 0.4084507 0.4084507), wk = 0.0031646 k( 203) = ( 0.4154930 0.4154930 0.4154930), wk = 0.0031646 k( 204) = ( 0.4225352 0.4225352 0.4225352), wk = 0.0031646 k( 205) = ( 0.4295775 0.4295775 0.4295775), wk = 0.0031646 k( 206) = ( 0.4366197 0.4366197 0.4366197), wk = 0.0031646 k( 207) = ( 0.4436620 0.4436620 0.4436620), wk = 0.0031646 k( 208) = ( 0.4507042 0.4507042 0.4507042), wk = 0.0031646 k( 209) = ( 0.4577465 0.4577465 0.4577465), wk = 0.0031646 k( 210) = ( 0.4647887 0.4647887 0.4647887), wk = 0.0031646 k( 211) = ( 0.4718310 0.4718310 0.4718310), wk = 0.0031646 k( 212) = ( 0.4788732 0.4788732 0.4788732), wk = 0.0031646 k( 213) = ( 0.4859155 0.4859155 0.4859155), wk = 0.0031646 k( 214) = ( 0.4929577 0.4929577 0.4929577), wk = 0.0031646 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 217) = ( 0.4913793 0.5000000 0.4913793), wk = 0.0031646 k( 218) = ( 0.4827586 0.5000000 0.4827586), wk = 0.0031646 k( 219) = ( 0.4741379 0.5000000 0.4741379), wk = 0.0031646 k( 220) = ( 0.4655172 0.5000000 0.4655172), wk = 0.0031646 k( 221) = ( 0.4568966 0.5000000 0.4568966), wk = 0.0031646 k( 222) = ( 0.4482759 0.5000000 0.4482759), wk = 0.0031646 k( 223) = ( 0.4396552 0.5000000 0.4396552), wk = 0.0031646 k( 224) = ( 0.4310345 0.5000000 0.4310345), wk = 0.0031646 k( 225) = ( 0.4224138 0.5000000 0.4224138), wk = 0.0031646 k( 226) = ( 0.4137931 0.5000000 0.4137931), wk = 0.0031646 k( 227) = ( 0.4051724 0.5000000 0.4051724), wk = 0.0031646 k( 228) = ( 0.3965517 0.5000000 0.3965517), wk = 0.0031646 k( 229) = ( 0.3879310 0.5000000 0.3879310), wk = 0.0031646 k( 230) = ( 0.3793103 0.5000000 0.3793103), wk = 0.0031646 k( 231) = ( 0.3706897 0.5000000 0.3706897), wk = 0.0031646 k( 232) = ( 0.3620690 0.5000000 0.3620690), wk = 0.0031646 k( 233) = ( 0.3534483 0.5000000 0.3534483), wk = 0.0031646 k( 234) = ( 0.3448276 0.5000000 0.3448276), wk = 0.0031646 k( 235) = ( 0.3362069 0.5000000 0.3362069), wk = 0.0031646 k( 236) = ( 0.3275862 0.5000000 0.3275862), wk = 0.0031646 k( 237) = ( 0.3189655 0.5000000 0.3189655), wk = 0.0031646 k( 238) = ( 0.3103448 0.5000000 0.3103448), wk = 0.0031646 k( 239) = ( 0.3017241 0.5000000 0.3017241), wk = 0.0031646 k( 240) = ( 0.2931034 0.5000000 0.2931034), wk = 0.0031646 k( 241) = ( 0.2844828 0.5000000 0.2844828), wk = 0.0031646 k( 242) = ( 0.2758621 0.5000000 0.2758621), wk = 0.0031646 k( 243) = ( 0.2672414 0.5000000 0.2672414), wk = 0.0031646 k( 244) = ( 0.2586207 0.5000000 0.2586207), wk = 0.0031646 k( 245) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0031646 k( 246) = ( 0.2413793 0.5000000 0.2413793), wk = 0.0031646 k( 247) = ( 0.2327586 0.5000000 0.2327586), wk = 0.0031646 k( 248) = ( 0.2241379 0.5000000 0.2241379), wk = 0.0031646 k( 249) = ( 0.2155172 0.5000000 0.2155172), wk = 0.0031646 k( 250) = ( 0.2068966 0.5000000 0.2068966), wk = 0.0031646 k( 251) = ( 0.1982759 0.5000000 0.1982759), wk = 0.0031646 k( 252) = ( 0.1896552 0.5000000 0.1896552), wk = 0.0031646 k( 253) = ( 0.1810345 0.5000000 0.1810345), wk = 0.0031646 k( 254) = ( 0.1724138 0.5000000 0.1724138), wk = 0.0031646 k( 255) = ( 0.1637931 0.5000000 0.1637931), wk = 0.0031646 k( 256) = ( 0.1551724 0.5000000 0.1551724), wk = 0.0031646 k( 257) = ( 0.1465517 0.5000000 0.1465517), wk = 0.0031646 k( 258) = ( 0.1379310 0.5000000 0.1379310), wk = 0.0031646 k( 259) = ( 0.1293103 0.5000000 0.1293103), wk = 0.0031646 k( 260) = ( 0.1206897 0.5000000 0.1206897), wk = 0.0031646 k( 261) = ( 0.1120690 0.5000000 0.1120690), wk = 0.0031646 k( 262) = ( 0.1034483 0.5000000 0.1034483), wk = 0.0031646 k( 263) = ( 0.0948276 0.5000000 0.0948276), wk = 0.0031646 k( 264) = ( 0.0862069 0.5000000 0.0862069), wk = 0.0031646 k( 265) = ( 0.0775862 0.5000000 0.0775862), wk = 0.0031646 k( 266) = ( 0.0689655 0.5000000 0.0689655), wk = 0.0031646 k( 267) = ( 0.0603448 0.5000000 0.0603448), wk = 0.0031646 k( 268) = ( 0.0517241 0.5000000 0.0517241), wk = 0.0031646 k( 269) = ( 0.0431035 0.5000000 0.0431035), wk = 0.0031646 k( 270) = ( 0.0344828 0.5000000 0.0344828), wk = 0.0031646 k( 271) = ( 0.0258621 0.5000000 0.0258621), wk = 0.0031646 k( 272) = ( 0.0172414 0.5000000 0.0172414), wk = 0.0031646 k( 273) = ( 0.0086207 0.5000000 0.0086207), wk = 0.0031646 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031646 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031646 k( 276) = ( 0.5000000 0.5000000 0.0121951), wk = 0.0031646 k( 277) = ( 0.5000000 0.5000000 0.0243902), wk = 0.0031646 k( 278) = ( 0.5000000 0.5000000 0.0365854), wk = 0.0031646 k( 279) = ( 0.5000000 0.5000000 0.0487805), wk = 0.0031646 k( 280) = ( 0.5000000 0.5000000 0.0609756), wk = 0.0031646 k( 281) = ( 0.5000000 0.5000000 0.0731707), wk = 0.0031646 k( 282) = ( 0.5000000 0.5000000 0.0853658), wk = 0.0031646 k( 283) = ( 0.5000000 0.5000000 0.0975610), wk = 0.0031646 k( 284) = ( 0.5000000 0.5000000 0.1097561), wk = 0.0031646 k( 285) = ( 0.5000000 0.5000000 0.1219512), wk = 0.0031646 k( 286) = ( 0.5000000 0.5000000 0.1341463), wk = 0.0031646 k( 287) = ( 0.5000000 0.5000000 0.1463415), wk = 0.0031646 k( 288) = ( 0.5000000 0.5000000 0.1585366), wk = 0.0031646 k( 289) = ( 0.5000000 0.5000000 0.1707317), wk = 0.0031646 k( 290) = ( 0.5000000 0.5000000 0.1829268), wk = 0.0031646 k( 291) = ( 0.5000000 0.5000000 0.1951219), wk = 0.0031646 k( 292) = ( 0.5000000 0.5000000 0.2073171), wk = 0.0031646 k( 293) = ( 0.5000000 0.5000000 0.2195122), wk = 0.0031646 k( 294) = ( 0.5000000 0.5000000 0.2317073), wk = 0.0031646 k( 295) = ( 0.5000000 0.5000000 0.2439024), wk = 0.0031646 k( 296) = ( 0.5000000 0.5000000 0.2560976), wk = 0.0031646 k( 297) = ( 0.5000000 0.5000000 0.2682927), wk = 0.0031646 k( 298) = ( 0.5000000 0.5000000 0.2804878), wk = 0.0031646 k( 299) = ( 0.5000000 0.5000000 0.2926829), wk = 0.0031646 k( 300) = ( 0.5000000 0.5000000 0.3048781), wk = 0.0031646 k( 301) = ( 0.5000000 0.5000000 0.3170732), wk = 0.0031646 k( 302) = ( 0.5000000 0.5000000 0.3292683), wk = 0.0031646 k( 303) = ( 0.5000000 0.5000000 0.3414634), wk = 0.0031646 k( 304) = ( 0.5000000 0.5000000 0.3536585), wk = 0.0031646 k( 305) = ( 0.5000000 0.5000000 0.3658537), wk = 0.0031646 k( 306) = ( 0.5000000 0.5000000 0.3780488), wk = 0.0031646 k( 307) = ( 0.5000000 0.5000000 0.3902439), wk = 0.0031646 k( 308) = ( 0.5000000 0.5000000 0.4024390), wk = 0.0031646 k( 309) = ( 0.5000000 0.5000000 0.4146341), wk = 0.0031646 k( 310) = ( 0.5000000 0.5000000 0.4268293), wk = 0.0031646 k( 311) = ( 0.5000000 0.5000000 0.4390244), wk = 0.0031646 k( 312) = ( 0.5000000 0.5000000 0.4512195), wk = 0.0031646 k( 313) = ( 0.5000000 0.5000000 0.4634146), wk = 0.0031646 k( 314) = ( 0.5000000 0.5000000 0.4756098), wk = 0.0031646 k( 315) = ( 0.5000000 0.5000000 0.4878049), wk = 0.0031646 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 Dense grid: 38497 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 15419 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 94, 40) NL pseudopotentials 0.09 Mb ( 47, 132) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 802) G-vector shells 0.00 Mb ( 221) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 94, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.16 Mb ( 132, 2, 40) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./AlB3N4.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 41.9 secs Computing kpt #: 3 total cpu time spent up to now is 42.7 secs Computing kpt #: 4 total cpu time spent up to now is 43.4 secs Computing kpt #: 5 total cpu time spent up to now is 44.2 secs Computing kpt #: 6 total cpu time spent up to now is 44.9 secs Computing kpt #: 7 total cpu time spent up to now is 45.7 secs Computing kpt #: 8 total cpu time spent up to now is 46.4 secs Computing kpt #: 9 total cpu time spent up to now is 47.2 secs Computing kpt #: 10 total cpu time spent up to now is 48.0 secs Computing kpt #: 11 total cpu time spent up to now is 48.8 secs Computing kpt #: 12 total cpu time spent up to now is 49.6 secs Computing kpt #: 13 total cpu time spent up to now is 50.7 secs Computing kpt #: 14 total cpu time spent up to now is 51.6 secs Computing kpt #: 15 total cpu time spent up to now is 52.4 secs Computing kpt #: 16 total cpu time spent up to now is 53.2 secs Computing kpt #: 17 total cpu time spent up to now is 54.1 secs Computing kpt #: 18 total cpu time spent up to now is 54.8 secs Computing kpt #: 19 total cpu time spent up to now is 55.6 secs Computing kpt #: 20 total cpu time spent up to now is 56.4 secs Computing kpt #: 21 total cpu time spent up to now is 57.2 secs Computing kpt #: 22 total cpu time spent up to now is 57.9 secs Computing kpt #: 23 total cpu time spent up to now is 58.6 secs Computing kpt #: 24 total cpu time spent up to now is 59.3 secs Computing kpt #: 25 total cpu time spent up to now is 60.0 secs Computing kpt #: 26 total cpu time spent up to now is 60.6 secs Computing kpt #: 27 total cpu time spent up to now is 61.2 secs Computing kpt #: 28 total cpu time spent up to now is 61.9 secs Computing kpt #: 29 total cpu time spent up to now is 62.5 secs Computing kpt #: 30 total cpu time spent up to now is 63.2 secs Computing kpt #: 31 total cpu time spent up to now is 63.8 secs Computing kpt #: 32 total cpu time spent up to now is 64.4 secs Computing kpt #: 33 total cpu time spent up to now is 65.0 secs Computing kpt #: 34 total cpu time spent up to now is 65.5 secs Computing kpt #: 35 total cpu time spent up to now is 66.2 secs Computing kpt #: 36 total cpu time spent up to now is 66.8 secs Computing kpt #: 37 total cpu time spent up to now is 67.6 secs Computing kpt #: 38 total cpu time spent up to now is 68.2 secs Computing kpt #: 39 total cpu time spent up to now is 69.0 secs Computing kpt #: 40 total cpu time spent up to now is 69.7 secs Computing kpt #: 41 total cpu time spent up to now is 70.5 secs Computing kpt #: 42 total cpu time spent up to now is 71.2 secs Computing kpt #: 43 total cpu time spent up to now is 71.9 secs Computing kpt #: 44 total cpu time spent up to now is 72.6 secs Computing kpt #: 45 total cpu time spent up to now is 73.4 secs Computing kpt #: 46 total cpu time spent up to now is 74.2 secs Computing kpt #: 47 total cpu time spent up to now is 75.3 secs Computing kpt #: 48 total cpu time spent up to now is 76.1 secs Computing kpt #: 49 total cpu time spent up to now is 76.9 secs Computing kpt #: 50 total cpu time spent up to now is 77.7 secs Computing kpt #: 51 total cpu time spent up to now is 78.5 secs Computing kpt #: 52 total cpu time spent up to now is 79.2 secs Computing kpt #: 53 total cpu time spent up to now is 80.1 secs Computing kpt #: 54 total cpu time spent up to now is 80.9 secs Computing kpt #: 55 total cpu time spent up to now is 81.7 secs Computing kpt #: 56 total cpu time spent up to now is 82.6 secs Computing kpt #: 57 total cpu time spent up to now is 83.4 secs Computing kpt #: 58 total cpu time spent up to now is 84.2 secs Computing kpt #: 59 total cpu time spent up to now is 85.0 secs Computing kpt #: 60 total cpu time spent up to now is 85.8 secs Computing kpt #: 61 total cpu time spent up to now is 86.7 secs Computing kpt #: 62 total cpu time spent up to now is 87.5 secs Computing kpt #: 63 total cpu time spent up to now is 88.3 secs Computing kpt #: 64 total cpu time spent up to now is 89.1 secs Computing kpt #: 65 total cpu time spent up to now is 90.0 secs Computing kpt #: 66 total cpu time spent up to now is 90.8 secs Computing kpt #: 67 total cpu time spent up to now is 91.7 secs Computing kpt #: 68 total cpu time spent up to now is 92.6 secs Computing kpt #: 69 total cpu time spent up to now is 93.6 secs Computing kpt #: 70 total cpu time spent up to now is 94.8 secs Computing kpt #: 71 total cpu time spent up to now is 95.9 secs Computing kpt #: 72 total cpu time spent up to now is 97.1 secs Computing kpt #: 73 total cpu time spent up to now is 98.5 secs Computing kpt #: 74 total cpu time spent up to now is 100.1 secs Computing kpt #: 75 total cpu time spent up to now is 101.5 secs Computing kpt #: 76 total cpu time spent up to now is 102.8 secs Computing kpt #: 77 total cpu time spent up to now is 103.8 secs Computing kpt #: 78 total cpu time spent up to now is 104.9 secs Computing kpt #: 79 total cpu time spent up to now is 105.9 secs Computing kpt #: 80 total cpu time spent up to now is 106.9 secs Computing kpt #: 81 total cpu time spent up to now is 107.7 secs Computing kpt #: 82 total cpu time spent up to now is 108.5 secs Computing kpt #: 83 total cpu time spent up to now is 109.2 secs Computing kpt #: 84 total cpu time spent up to now is 110.1 secs Computing kpt #: 85 total cpu time spent up to now is 110.8 secs Computing kpt #: 86 total cpu time spent up to now is 111.6 secs Computing kpt #: 87 total cpu time spent up to now is 112.3 secs Computing kpt #: 88 total cpu time spent up to now is 113.2 secs Computing kpt #: 89 total cpu time spent up to now is 114.1 secs Computing kpt #: 90 total cpu time spent up to now is 115.0 secs Computing kpt #: 91 total cpu time spent up to now is 116.0 secs Computing kpt #: 92 total cpu time spent up to now is 117.1 secs Computing kpt #: 93 total cpu time spent up to now is 118.2 secs Computing kpt #: 94 total cpu time spent up to now is 119.3 secs Computing kpt #: 95 total cpu time spent up to now is 120.8 secs Computing kpt #: 96 total cpu time spent up to now is 121.8 secs Computing kpt #: 97 total cpu time spent up to now is 123.3 secs Computing kpt #: 98 total cpu time spent up to now is 124.4 secs Computing kpt #: 99 total cpu time spent up to now is 125.5 secs Computing kpt #: 100 total cpu time spent up to now is 126.5 secs Computing kpt #: 101 total cpu time spent up to now is 127.5 secs Computing kpt #: 102 total cpu time spent up to now is 128.6 secs Computing kpt #: 103 total cpu time spent up to now is 129.5 secs Computing kpt #: 104 total cpu time spent up to now is 130.4 secs Computing kpt #: 105 total cpu time spent up to now is 131.2 secs Computing kpt #: 106 total cpu time spent up to now is 132.0 secs Computing kpt #: 107 total cpu time spent up to now is 132.8 secs Computing kpt #: 108 total cpu time spent up to now is 133.6 secs Computing kpt #: 109 total cpu time spent up to now is 134.4 secs Computing kpt #: 110 total cpu time spent up to now is 135.2 secs Computing kpt #: 111 total cpu time spent up to now is 136.0 secs Computing kpt #: 112 total cpu time spent up to now is 136.7 secs Computing kpt #: 113 total cpu time spent up to now is 137.5 secs Computing kpt #: 114 total cpu time spent up to now is 138.2 secs Computing kpt #: 115 total cpu time spent up to now is 138.9 secs Computing kpt #: 116 total cpu time spent up to now is 139.7 secs Computing kpt #: 117 total cpu time spent up to now is 140.5 secs Computing kpt #: 118 total cpu time spent up to now is 141.3 secs Computing kpt #: 119 total cpu time spent up to now is 142.0 secs Computing kpt #: 120 total cpu time spent up to now is 142.8 secs Computing kpt #: 121 total cpu time spent up to now is 143.5 secs Computing kpt #: 122 total cpu time spent up to now is 144.2 secs Computing kpt #: 123 total cpu time spent up to now is 145.0 secs Computing kpt #: 124 total cpu time spent up to now is 145.8 secs Computing kpt #: 125 total cpu time spent up to now is 146.6 secs Computing kpt #: 126 total cpu time spent up to now is 147.4 secs Computing kpt #: 127 total cpu time spent up to now is 148.2 secs Computing kpt #: 128 total cpu time spent up to now is 149.0 secs Computing kpt #: 129 total cpu time spent up to now is 149.8 secs Computing kpt #: 130 total cpu time spent up to now is 150.6 secs Computing kpt #: 131 total cpu time spent up to now is 151.3 secs Computing kpt #: 132 total cpu time spent up to now is 152.1 secs Computing kpt #: 133 total cpu time spent up to now is 152.9 secs Computing kpt #: 134 total cpu time spent up to now is 153.7 secs Computing kpt #: 135 total cpu time spent up to now is 154.5 secs Computing kpt #: 136 total cpu time spent up to now is 155.2 secs Computing kpt #: 137 total cpu time spent up to now is 156.0 secs Computing kpt #: 138 total cpu time spent up to now is 156.7 secs Computing kpt #: 139 total cpu time spent up to now is 157.5 secs Computing kpt #: 140 total cpu time spent up to now is 158.3 secs Computing kpt #: 141 total cpu time spent up to now is 159.1 secs Computing kpt #: 142 total cpu time spent up to now is 159.8 secs Computing kpt #: 143 total cpu time spent up to now is 160.5 secs Computing kpt #: 144 total cpu time spent up to now is 161.3 secs Computing kpt #: 145 total cpu time spent up to now is 162.1 secs Computing kpt #: 146 total cpu time spent up to now is 162.8 secs Computing kpt #: 147 total cpu time spent up to now is 163.6 secs Computing kpt #: 148 total cpu time spent up to now is 164.3 secs Computing kpt #: 149 total cpu time spent up to now is 165.4 secs Computing kpt #: 150 total cpu time spent up to now is 166.1 secs Computing kpt #: 151 total cpu time spent up to now is 166.9 secs Computing kpt #: 152 total cpu time spent up to now is 167.6 secs Computing kpt #: 153 total cpu time spent up to now is 168.4 secs Computing kpt #: 154 total cpu time spent up to now is 169.1 secs Computing kpt #: 155 total cpu time spent up to now is 169.9 secs Computing kpt #: 156 total cpu time spent up to now is 170.7 secs Computing kpt #: 157 total cpu time spent up to now is 171.9 secs Computing kpt #: 158 total cpu time spent up to now is 172.7 secs Computing kpt #: 159 total cpu time spent up to now is 173.4 secs Computing kpt #: 160 total cpu time spent up to now is 174.1 secs Computing kpt #: 161 total cpu time spent up to now is 174.7 secs Computing kpt #: 162 total cpu time spent up to now is 175.4 secs Computing kpt #: 163 total cpu time spent up to now is 176.1 secs Computing kpt #: 164 total cpu time spent up to now is 176.8 secs Computing kpt #: 165 total cpu time spent up to now is 177.5 secs Computing kpt #: 166 total cpu time spent up to now is 178.2 secs Computing kpt #: 167 total cpu time spent up to now is 178.8 secs Computing kpt #: 168 total cpu time spent up to now is 179.5 secs Computing kpt #: 169 total cpu time spent up to now is 180.1 secs Computing kpt #: 170 total cpu time spent up to now is 180.7 secs Computing kpt #: 171 total cpu time spent up to now is 181.4 secs Computing kpt #: 172 total cpu time spent up to now is 182.1 secs Computing kpt #: 173 total cpu time spent up to now is 182.8 secs Computing kpt #: 174 total cpu time spent up to now is 183.4 secs Computing kpt #: 175 total cpu time spent up to now is 184.1 secs Computing kpt #: 176 total cpu time spent up to now is 184.7 secs Computing kpt #: 177 total cpu time spent up to now is 185.4 secs Computing kpt #: 178 total cpu time spent up to now is 186.0 secs Computing kpt #: 179 total cpu time spent up to now is 186.7 secs Computing kpt #: 180 total cpu time spent up to now is 187.4 secs Computing kpt #: 181 total cpu time spent up to now is 188.1 secs Computing kpt #: 182 total cpu time spent up to now is 188.8 secs Computing kpt #: 183 total cpu time spent up to now is 189.6 secs Computing kpt #: 184 total cpu time spent up to now is 190.3 secs Computing kpt #: 185 total cpu time spent up to now is 191.1 secs Computing kpt #: 186 total cpu time spent up to now is 191.9 secs Computing kpt #: 187 total cpu time spent up to now is 192.7 secs Computing kpt #: 188 total cpu time spent up to now is 193.7 secs Computing kpt #: 189 total cpu time spent up to now is 194.7 secs Computing kpt #: 190 total cpu time spent up to now is 195.7 secs Computing kpt #: 191 total cpu time spent up to now is 196.8 secs Computing kpt #: 192 total cpu time spent up to now is 198.0 secs Computing kpt #: 193 total cpu time spent up to now is 199.7 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.8 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.9 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.0 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.1 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.3 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.6 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.6 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.8 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.8 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.9 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.8 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.8 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.9 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.9 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.9 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.9 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 236.7 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.8 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.7 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.8 secs Computing kpt #: 215 total cpu time spent up to now is 243.6 secs Computing kpt #: 216 total cpu time spent up to now is 244.4 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.5 secs Computing kpt #: 218 total cpu time spent up to now is 248.6 secs Computing kpt #: 219 total cpu time spent up to now is 250.9 secs Computing kpt #: 220 total cpu time spent up to now is 253.2 secs Computing kpt #: 221 total cpu time spent up to now is 255.3 secs Computing kpt #: 222 total cpu time spent up to now is 256.9 secs Computing kpt #: 223 total cpu time spent up to now is 258.5 secs Computing kpt #: 224 total cpu time spent up to now is 259.8 secs Computing kpt #: 225 total cpu time spent up to now is 261.4 secs Computing kpt #: 226 total cpu time spent up to now is 262.5 secs Computing kpt #: 227 total cpu time spent up to now is 263.6 secs Computing kpt #: 228 total cpu time spent up to now is 264.8 secs Computing kpt #: 229 total cpu time spent up to now is 266.0 secs Computing kpt #: 230 total cpu time spent up to now is 267.1 secs Computing kpt #: 231 total cpu time spent up to now is 268.3 secs Computing kpt #: 232 total cpu time spent up to now is 269.4 secs Computing kpt #: 233 total cpu time spent up to now is 270.5 secs Computing kpt #: 234 total cpu time spent up to now is 271.7 secs Computing kpt #: 235 total cpu time spent up to now is 272.9 secs Computing kpt #: 236 total cpu time spent up to now is 274.0 secs Computing kpt #: 237 total cpu time spent up to now is 275.2 secs Computing kpt #: 238 total cpu time spent up to now is 276.6 secs Computing kpt #: 239 total cpu time spent up to now is 278.3 secs Computing kpt #: 240 total cpu time spent up to now is 279.5 secs Computing kpt #: 241 total cpu time spent up to now is 280.6 secs Computing kpt #: 242 total cpu time spent up to now is 281.6 secs Computing kpt #: 243 total cpu time spent up to now is 282.6 secs Computing kpt #: 244 total cpu time spent up to now is 283.6 secs Computing kpt #: 245 total cpu time spent up to now is 284.5 secs Computing kpt #: 246 total cpu time spent up to now is 285.5 secs Computing kpt #: 247 total cpu time spent up to now is 286.3 secs Computing kpt #: 248 total cpu time spent up to now is 287.1 secs Computing kpt #: 249 total cpu time spent up to now is 287.9 secs Computing kpt #: 250 total cpu time spent up to now is 288.7 secs Computing kpt #: 251 total cpu time spent up to now is 289.6 secs Computing kpt #: 252 total cpu time spent up to now is 290.4 secs Computing kpt #: 253 total cpu time spent up to now is 291.2 secs Computing kpt #: 254 total cpu time spent up to now is 291.9 secs Computing kpt #: 255 total cpu time spent up to now is 292.7 secs Computing kpt #: 256 total cpu time spent up to now is 293.4 secs Computing kpt #: 257 total cpu time spent up to now is 294.2 secs Computing kpt #: 258 total cpu time spent up to now is 294.9 secs Computing kpt #: 259 total cpu time spent up to now is 295.7 secs Computing kpt #: 260 total cpu time spent up to now is 296.4 secs Computing kpt #: 261 total cpu time spent up to now is 297.2 secs Computing kpt #: 262 total cpu time spent up to now is 298.0 secs Computing kpt #: 263 total cpu time spent up to now is 298.7 secs Computing kpt #: 264 total cpu time spent up to now is 299.5 secs Computing kpt #: 265 total cpu time spent up to now is 300.2 secs Computing kpt #: 266 total cpu time spent up to now is 301.0 secs Computing kpt #: 267 total cpu time spent up to now is 301.8 secs Computing kpt #: 268 total cpu time spent up to now is 302.6 secs Computing kpt #: 269 total cpu time spent up to now is 303.4 secs Computing kpt #: 270 total cpu time spent up to now is 304.2 secs Computing kpt #: 271 total cpu time spent up to now is 304.9 secs Computing kpt #: 272 total cpu time spent up to now is 305.7 secs Computing kpt #: 273 total cpu time spent up to now is 306.4 secs Computing kpt #: 274 total cpu time spent up to now is 307.1 secs Computing kpt #: 275 total cpu time spent up to now is 307.9 secs Computing kpt #: 276 total cpu time spent up to now is 308.6 secs Computing kpt #: 277 total cpu time spent up to now is 309.3 secs Computing kpt #: 278 total cpu time spent up to now is 310.1 secs Computing kpt #: 279 total cpu time spent up to now is 310.8 secs Computing kpt #: 280 total cpu time spent up to now is 311.5 secs Computing kpt #: 281 total cpu time spent up to now is 312.3 secs Computing kpt #: 282 total cpu time spent up to now is 313.1 secs Computing kpt #: 283 total cpu time spent up to now is 313.9 secs Computing kpt #: 284 total cpu time spent up to now is 315.0 secs Computing kpt #: 285 total cpu time spent up to now is 316.0 secs Computing kpt #: 286 total cpu time spent up to now is 316.8 secs Computing kpt #: 287 total cpu time spent up to now is 317.6 secs Computing kpt #: 288 total cpu time spent up to now is 318.5 secs Computing kpt #: 289 total cpu time spent up to now is 319.3 secs Computing kpt #: 290 total cpu time spent up to now is 320.1 secs Computing kpt #: 291 total cpu time spent up to now is 320.9 secs Computing kpt #: 292 total cpu time spent up to now is 321.7 secs Computing kpt #: 293 total cpu time spent up to now is 322.5 secs Computing kpt #: 294 total cpu time spent up to now is 323.3 secs Computing kpt #: 295 total cpu time spent up to now is 324.1 secs Computing kpt #: 296 total cpu time spent up to now is 324.9 secs Computing kpt #: 297 total cpu time spent up to now is 325.8 secs Computing kpt #: 298 total cpu time spent up to now is 326.8 secs Computing kpt #: 299 total cpu time spent up to now is 327.7 secs Computing kpt #: 300 total cpu time spent up to now is 328.5 secs Computing kpt #: 301 total cpu time spent up to now is 329.5 secs Computing kpt #: 302 total cpu time spent up to now is 330.4 secs Computing kpt #: 303 total cpu time spent up to now is 331.4 secs Computing kpt #: 304 total cpu time spent up to now is 332.3 secs Computing kpt #: 305 total cpu time spent up to now is 333.4 secs Computing kpt #: 306 total cpu time spent up to now is 334.5 secs Computing kpt #: 307 total cpu time spent up to now is 335.5 secs Computing kpt #: 308 total cpu time spent up to now is 336.6 secs Computing kpt #: 309 total cpu time spent up to now is 337.8 secs Computing kpt #: 310 total cpu time spent up to now is 339.1 secs Computing kpt #: 311 total cpu time spent up to now is 340.6 secs Computing kpt #: 312 total cpu time spent up to now is 342.0 secs Computing kpt #: 313 total cpu time spent up to now is 343.7 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 345.7 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.5 secs Computing kpt #: 316 total cpu time spent up to now is 348.3 secs ethr = 3.13E-11, avg # of iterations = 41.9 total cpu time spent up to now is 348.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -8.9185 -8.9185 -4.4656 -4.4656 -4.4625 -4.4625 -4.4625 -4.4625 1.2002 1.2002 1.2002 1.2002 2.8745 2.8745 5.0537 5.0537 5.0586 5.0586 5.0586 5.0586 5.9087 5.9087 5.9106 5.9106 5.9106 5.9106 9.0722 9.0722 9.0923 9.0923 9.0923 9.0923 13.2504 13.2504 13.2542 13.2542 13.2542 13.2542 16.3487 16.3487 k = 0.0000 0.0122-0.0000 ( 1935 PWs) bands (ev): -8.9174 -8.9174 -4.4675 -4.4675 -4.4636 -4.4636 -4.4622 -4.4622 1.2012 1.2012 1.2034 1.2034 2.8762 2.8762 5.0524 5.0524 5.0570 5.0570 5.0579 5.0579 5.9074 5.9074 5.9093 5.9093 5.9099 5.9099 9.0699 9.0699 9.0896 9.0896 9.0904 9.0904 13.2533 13.2533 13.2574 13.2574 13.2589 13.2589 16.3517 16.3517 k = 0.0000 0.0244-0.0000 ( 1927 PWs) bands (ev): -8.9143 -8.9143 -4.4768 -4.4768 -4.4634 -4.4634 -4.4615 -4.4615 1.2039 1.2039 1.2128 1.2128 2.8811 2.8811 5.0473 5.0473 5.0535 5.0535 5.0556 5.0556 5.9021 5.9021 5.9069 5.9069 5.9080 5.9080 9.0631 9.0631 9.0821 9.0821 9.0850 9.0850 13.2583 13.2583 13.2708 13.2708 13.2731 13.2731 16.3605 16.3605 k = 0.0000 0.0366-0.0000 ( 1919 PWs) bands (ev): -8.9091 -8.9091 -4.4929 -4.4929 -4.4624 -4.4624 -4.4603 -4.4603 1.2085 1.2085 1.2283 1.2283 2.8894 2.8894 5.0372 5.0372 5.0491 5.0491 5.0518 5.0518 5.8925 5.8925 5.9038 5.9038 5.9049 5.9049 9.0507 9.0507 9.0701 9.0701 9.0760 9.0760 13.2655 13.2655 13.2942 13.2942 13.2966 13.2966 16.3751 16.3751 k = 0.0000 0.0488-0.0000 ( 1919 PWs) bands (ev): -8.9019 -8.9019 -4.5154 -4.5154 -4.4607 -4.4607 -4.4587 -4.4587 1.2149 1.2149 1.2498 1.2498 2.9010 2.9010 5.0225 5.0225 5.0435 5.0435 5.0463 5.0463 5.8791 5.8791 5.8997 5.8997 5.9009 5.9009 9.0317 9.0317 9.0548 9.0548 9.0632 9.0632 13.2755 13.2755 13.3269 13.3269 13.3293 13.3293 16.3953 16.3953 k = 0.0000 0.0610-0.0000 ( 1907 PWs) bands (ev): -8.8925 -8.8925 -4.5440 -4.5440 -4.4586 -4.4586 -4.4565 -4.4565 1.2231 1.2231 1.2770 1.2770 2.9159 2.9159 5.0036 5.0036 5.0362 5.0362 5.0389 5.0389 5.8620 5.8620 5.8952 5.8952 5.8962 5.8962 9.0058 9.0058 9.0372 9.0372 9.0473 9.0473 13.2883 13.2883 13.3688 13.3688 13.3712 13.3712 16.4207 16.4207 k = 0.0000 0.0732-0.0000 ( 1907 PWs) bands (ev): -8.8811 -8.8811 -4.5784 -4.5784 -4.4561 -4.4561 -4.4540 -4.4540 1.2331 1.2331 1.3097 1.3097 2.9342 2.9342 4.9806 4.9806 5.0269 5.0269 5.0296 5.0296 5.8412 5.8412 5.8903 5.8903 5.8913 5.8913 8.9733 8.9733 9.0165 9.0165 9.0275 9.0275 13.3041 13.3041 13.4195 13.4195 13.4219 13.4219 16.4509 16.4509 k = 0.0000 0.0854-0.0000 ( 1907 PWs) bands (ev): -8.8677 -8.8677 -4.6184 -4.6184 -4.4531 -4.4531 -4.4510 -4.4510 1.2449 1.2449 1.3475 1.3475 2.9560 2.9560 4.9537 4.9537 5.0156 5.0156 5.0180 5.0180 5.8167 5.8167 5.8857 5.8857 5.8866 5.8866 8.9348 8.9348 8.9928 8.9928 9.0043 9.0043 13.3228 13.3228 13.4789 13.4789 13.4812 13.4812 16.4856 16.4856 k = 0.0000 0.0976-0.0000 ( 1903 PWs) bands (ev): -8.8522 -8.8522 -4.6637 -4.6637 -4.4496 -4.4496 -4.4475 -4.4475 1.2585 1.2585 1.3900 1.3900 2.9812 2.9812 4.9230 4.9230 5.0019 5.0019 5.0042 5.0042 5.7888 5.7888 5.8816 5.8816 5.8825 5.8825 8.8905 8.8905 8.9660 8.9660 8.9778 8.9778 13.3446 13.3446 13.5467 13.5467 13.5489 13.5489 16.5242 16.5242 k = 0.0000 0.1098-0.0000 ( 1903 PWs) bands (ev): -8.8346 -8.8346 -4.7140 -4.7140 -4.4458 -4.4458 -4.4437 -4.4437 1.2739 1.2739 1.4369 1.4369 3.0099 3.0099 4.8886 4.8886 4.9857 4.9857 4.9878 4.9878 5.7575 5.7575 5.8785 5.8785 5.8794 5.8794 8.8409 8.8409 8.9361 8.9361 8.9481 8.9481 13.3695 13.3695 13.6225 13.6225 13.6247 13.6247 16.5660 16.5660 k = 0.0000 0.1220-0.0000 ( 1903 PWs) bands (ev): -8.8150 -8.8150 -4.7688 -4.7688 -4.4416 -4.4416 -4.4395 -4.4395 1.2911 1.2911 1.4877 1.4877 3.0423 3.0423 4.8508 4.8508 4.9670 4.9670 4.9688 4.9688 5.7229 5.7229 5.8769 5.8769 5.8778 5.8778 8.7862 8.7862 8.9033 8.9033 8.9153 8.9153 13.3974 13.3974 13.7060 13.7060 13.7082 13.7082 16.6104 16.6104 k = 0.0000 0.1341-0.0000 ( 1903 PWs) bands (ev): -8.7933 -8.7933 -4.8279 -4.8279 -4.4370 -4.4370 -4.4349 -4.4349 1.3100 1.3100 1.5420 1.5420 3.0782 3.0782 4.8097 4.8097 4.9455 4.9455 4.9471 4.9471 5.6852 5.6852 5.8770 5.8770 5.8780 5.8780 8.7266 8.7266 8.8676 8.8676 8.8796 8.8796 13.4286 13.4286 13.7970 13.7970 13.7991 13.7991 16.6565 16.6565 k = 0.0000 0.1463-0.0000 ( 1915 PWs) bands (ev): -8.7697 -8.7697 -4.8909 -4.8909 -4.4321 -4.4321 -4.4300 -4.4300 1.3307 1.3307 1.5994 1.5994 3.1178 3.1178 4.7654 4.7654 4.9213 4.9213 4.9226 4.9226 5.6443 5.6443 5.8792 5.8792 5.8804 5.8804 8.6625 8.6625 8.8291 8.8291 8.8410 8.8410 13.4628 13.4628 13.8949 13.8949 13.8970 13.8970 16.7035 16.7035 k = 0.0000 0.1585-0.0000 ( 1907 PWs) bands (ev): -8.7439 -8.7439 -4.9574 -4.9574 -4.4269 -4.4269 -4.4248 -4.4248 1.3530 1.3530 1.6594 1.6594 3.1612 3.1612 4.7183 4.7183 4.8945 4.8945 4.8956 4.8956 5.6007 5.6007 5.8837 5.8837 5.8852 5.8852 8.5942 8.5942 8.7882 8.7882 8.8001 8.8001 13.5002 13.5002 13.9996 13.9996 14.0016 14.0016 16.7502 16.7502 k = 0.0000 0.1707-0.0000 ( 1907 PWs) bands (ev): -8.7162 -8.7162 -5.0272 -5.0272 -4.4214 -4.4214 -4.4193 -4.4193 1.3771 1.3771 1.7217 1.7217 3.2084 3.2084 4.6684 4.6684 4.8653 4.8653 4.8662 4.8662 5.5544 5.5544 5.8908 5.8908 5.8925 5.8925 8.5217 8.5217 8.7446 8.7446 8.7563 8.7563 13.5407 13.5407 14.1105 14.1105 14.1125 14.1125 16.7954 16.7954 k = 0.0000 0.1829-0.0000 ( 1907 PWs) bands (ev): -8.6865 -8.6865 -5.0998 -5.0998 -4.4157 -4.4157 -4.4135 -4.4135 1.4029 1.4029 1.7858 1.7858 3.2593 3.2593 4.6161 4.6161 4.8337 4.8337 4.8345 4.8345 5.5055 5.5055 5.9005 5.9005 5.9024 5.9024 8.4456 8.4456 8.6988 8.6988 8.7103 8.7103 13.5844 13.5844 14.2274 14.2274 14.2292 14.2292 16.8379 16.8379 k = 0.0000 0.1951-0.0000 ( 1915 PWs) bands (ev): -8.6547 -8.6547 -5.1750 -5.1750 -4.4097 -4.4097 -4.4075 -4.4075 1.4303 1.4303 1.8514 1.8514 3.3140 3.3140 4.5614 4.5614 4.8000 4.8000 4.8008 4.8008 5.4541 5.4541 5.9128 5.9128 5.9150 5.9150 8.3659 8.3659 8.6507 8.6507 8.6621 8.6621 13.6310 13.6310 14.3497 14.3497 14.3515 14.3515 16.8761 16.8761 k = 0.0000 0.2073-0.0000 ( 1915 PWs) bands (ev): -8.6210 -8.6210 -5.2524 -5.2524 -4.4035 -4.4035 -4.4014 -4.4014 1.4593 1.4593 1.9181 1.9181 3.3725 3.3725 4.5046 4.5046 4.7647 4.7647 4.7656 4.7656 5.4006 5.4006 5.9278 5.9278 5.9303 5.9303 8.2829 8.2829 8.6007 8.6007 8.6119 8.6119 13.6806 13.6806 14.4772 14.4772 14.4789 14.4789 16.9090 16.9090 k = 0.0000 0.2195-0.0000 ( 1919 PWs) bands (ev): -8.5853 -8.5853 -5.3319 -5.3319 -4.3972 -4.3972 -4.3951 -4.3951 1.4898 1.4898 1.9857 1.9857 3.4348 3.4348 4.4459 4.4459 4.7279 4.7279 4.7289 4.7289 5.3449 5.3449 5.9453 5.9453 5.9481 5.9481 8.1970 8.1970 8.5489 8.5489 8.5599 8.5599 13.7331 13.7331 14.6094 14.6094 14.6111 14.6111 16.9351 16.9351 k = 0.0000 0.2317-0.0000 ( 1923 PWs) bands (ev): -8.5476 -8.5476 -5.4130 -5.4130 -4.3908 -4.3908 -4.3886 -4.3886 1.5219 1.5219 2.0538 2.0538 3.5007 3.5007 4.3856 4.3856 4.6900 4.6900 4.6912 4.6912 5.2874 5.2874 5.9654 5.9654 5.9684 5.9684 8.1083 8.1083 8.4955 8.4955 8.5063 8.5063 13.7884 13.7884 14.7459 14.7459 14.7475 14.7475 16.9537 16.9537 k = 0.0000 0.2439-0.0000 ( 1923 PWs) bands (ev): -8.5080 -8.5080 -5.4956 -5.4956 -4.3842 -4.3842 -4.3821 -4.3821 1.5556 1.5556 2.1222 2.1222 3.5703 3.5703 4.3238 4.3238 4.6515 4.6515 4.6528 4.6528 5.2282 5.2282 5.9878 5.9878 5.9911 5.9911 8.0171 8.0171 8.4407 8.4407 8.4513 8.4513 13.8462 13.8462 14.8863 14.8863 14.8878 14.8878 16.9640 16.9640 k = 0.0000 0.2561-0.0000 ( 1923 PWs) bands (ev): -8.4664 -8.4664 -5.5794 -5.5794 -4.3777 -4.3777 -4.3755 -4.3755 1.5906 1.5906 2.1907 2.1907 3.6433 3.6433 4.2608 4.2608 4.6125 4.6125 4.6141 4.6141 5.1675 5.1675 6.0126 6.0126 6.0161 6.0161 7.9236 7.9236 8.3846 8.3846 8.3950 8.3950 13.9066 13.9066 15.0301 15.0301 15.0316 15.0316 16.9660 16.9660 k = 0.0000 0.2683-0.0000 ( 1923 PWs) bands (ev): -8.4230 -8.4230 -5.6642 -5.6642 -4.3711 -4.3711 -4.3689 -4.3689 1.6271 1.6271 2.2591 2.2591 3.7197 3.7197 4.1968 4.1968 4.5735 4.5735 4.5752 4.5752 5.1054 5.1054 6.0394 6.0394 6.0432 6.0432 7.8280 7.8280 8.3275 8.3275 8.3377 8.3377 13.9692 13.9692 15.1770 15.1770 15.1784 15.1784 16.9596 16.9596 k = 0.0000 0.2805-0.0000 ( 1923 PWs) bands (ev): -8.3776 -8.3776 -5.7498 -5.7498 -4.3646 -4.3646 -4.3624 -4.3624 1.6648 1.6648 2.3274 2.3274 3.7992 3.7992 4.1319 4.1319 4.5347 4.5347 4.5366 4.5366 5.0423 5.0423 6.0683 6.0683 6.0723 6.0723 7.7308 7.7308 8.2697 8.2697 8.2795 8.2795 14.0339 14.0339 15.3264 15.3264 15.3277 15.3277 16.9454 16.9454 k = 0.0000 0.2927-0.0000 ( 1923 PWs) bands (ev): -8.3303 -8.3303 -5.8360 -5.8360 -4.3581 -4.3581 -4.3559 -4.3559 1.7039 1.7039 2.3954 2.3954 3.8816 3.8816 4.0665 4.0665 4.4966 4.4966 4.4986 4.4986 4.9782 4.9782 6.0988 6.0988 6.1031 6.1031 7.6317 7.6317 8.2110 8.2110 8.2206 8.2206 14.1005 14.1005 15.4779 15.4779 15.4791 15.4791 16.9240 16.9240 k = 0.0000 0.3049-0.0000 ( 1924 PWs) bands (ev): -8.2812 -8.2812 -5.9225 -5.9225 -4.3517 -4.3517 -4.3496 -4.3496 1.7440 1.7440 2.4631 2.4631 3.9665 3.9665 4.0008 4.0008 4.4592 4.4592 4.4613 4.4613 4.9135 4.9135 6.1312 6.1312 6.1357 6.1357 7.5311 7.5311 8.1520 8.1520 8.1613 8.1613 14.1688 14.1688 15.6309 15.6309 15.6321 15.6321 16.8962 16.8962 k = 0.0000 0.3171-0.0000 ( 1924 PWs) bands (ev): -8.2302 -8.2302 -6.0093 -6.0093 -4.3455 -4.3455 -4.3433 -4.3433 1.7852 1.7852 2.5303 2.5303 3.9348 3.9348 4.0539 4.0539 4.4228 4.4228 4.4251 4.4251 4.8485 4.8485 6.1652 6.1652 6.1698 6.1698 7.4293 7.4293 8.0927 8.0927 8.1018 8.1018 14.2383 14.2383 15.7849 15.7849 15.7860 15.7860 16.8628 16.8628 k = 0.0000 0.3293-0.0000 ( 1924 PWs) bands (ev): -8.1774 -8.1774 -6.0962 -6.0962 -4.3395 -4.3395 -4.3373 -4.3373 1.8273 1.8273 2.5970 2.5970 3.8691 3.8691 4.1429 4.1429 4.3878 4.3878 4.3902 4.3902 4.7836 4.7836 6.2004 6.2004 6.2053 6.2053 7.3266 7.3266 8.0335 8.0335 8.0422 8.0422 14.3089 14.3089 15.9392 15.9392 15.9402 15.9402 16.8245 16.8245 k = 0.0000 0.3415-0.0000 ( 1924 PWs) bands (ev): -8.1229 -8.1229 -6.1831 -6.1831 -4.3337 -4.3337 -4.3315 -4.3315 1.8701 1.8701 2.6630 2.6630 3.8038 3.8038 4.2327 4.2327 4.3543 4.3543 4.3569 4.3569 4.7196 4.7196 6.2369 6.2369 6.2420 6.2420 7.2231 7.2231 7.9744 7.9744 7.9829 7.9829 14.3802 14.3802 16.0931 16.0931 16.0940 16.0940 16.7823 16.7823 k = 0.0000 0.3537-0.0000 ( 1924 PWs) bands (ev): -8.0665 -8.0665 -6.2697 -6.2697 -4.3282 -4.3282 -4.3260 -4.3260 1.9134 1.9134 2.7284 2.7284 3.7391 3.7391 4.3209 4.3209 4.3226 4.3226 4.3258 4.3258 4.6584 4.6584 6.2742 6.2742 6.2796 6.2796 7.1191 7.1191 7.9160 7.9160 7.9241 7.9241 14.4517 14.4517 16.2459 16.2459 16.2467 16.2467 16.7368 16.7368 k = 0.0000 0.3659-0.0000 ( 1928 PWs) bands (ev): -8.0084 -8.0084 -6.3559 -6.3559 -4.3230 -4.3230 -4.3208 -4.3208 1.9570 1.9570 2.7930 2.7930 3.6755 3.6755 4.2926 4.2926 4.2953 4.2953 4.4027 4.4027 4.6065 4.6065 6.3123 6.3123 6.3178 6.3178 7.0149 7.0149 7.8583 7.8583 7.8661 7.8661 14.5231 14.5231 16.3965 16.3965 16.3973 16.3973 16.6888 16.6888 k = 0.0000 0.3780-0.0000 ( 1920 PWs) bands (ev): -7.9487 -7.9487 -6.4417 -6.4417 -4.3181 -4.3181 -4.3158 -4.3158 2.0008 2.0008 2.8566 2.8566 3.6134 3.6134 4.2649 4.2649 4.2677 4.2677 4.4451 4.4451 4.5948 4.5948 6.3507 6.3507 6.3564 6.3564 6.9107 6.9107 7.8018 7.8018 7.8092 7.8092 14.5937 14.5937 16.5442 16.5442 16.5449 16.5449 16.6392 16.6392 k = 0.0000 0.3902-0.0000 ( 1920 PWs) bands (ev): -7.8872 -7.8872 -6.5270 -6.5270 -4.3135 -4.3135 -4.3113 -4.3113 2.0441 2.0441 2.9190 2.9190 3.5530 3.5530 4.2393 4.2393 4.2422 4.2422 4.4178 4.4178 4.6543 4.6543 6.3891 6.3891 6.3951 6.3951 6.8071 6.8071 7.7469 7.7469 7.7540 7.7540 14.6630 14.6630 16.5886 16.5886 16.6874 16.6874 16.6879 16.6879 k = 0.0000 0.4024-0.0000 ( 1912 PWs) bands (ev): -7.8241 -7.8241 -6.6115 -6.6115 -4.3094 -4.3094 -4.3071 -4.3071 2.0867 2.0867 2.9798 2.9798 3.4951 3.4951 4.2161 4.2161 4.2190 4.2190 4.3652 4.3652 4.7405 4.7405 6.4271 6.4271 6.4333 6.4333 6.7046 6.7046 7.6942 7.6942 7.7008 7.7008 14.7302 14.7302 16.5380 16.5380 16.8246 16.8246 16.8251 16.8251 k = 0.0000 0.4146-0.0000 ( 1912 PWs) bands (ev): -7.7595 -7.7595 -6.6952 -6.6952 -4.3056 -4.3056 -4.3034 -4.3034 2.1279 2.1279 3.0385 3.0385 3.4402 3.4402 4.1953 4.1953 4.1983 4.1983 4.3084 4.3084 4.8321 4.8321 6.4642 6.4642 6.4705 6.4705 6.6038 6.6038 7.6441 7.6441 7.6502 7.6502 14.7944 14.7944 16.4883 16.4883 16.9543 16.9543 16.9547 16.9547 k = 0.0000 0.4268-0.0000 ( 1916 PWs) bands (ev): -7.6933 -7.6933 -6.7780 -6.7780 -4.3024 -4.3024 -4.3001 -4.3001 2.1670 2.1670 3.0944 3.0944 3.3890 3.3890 4.1771 4.1771 4.1801 4.1801 4.2523 4.2523 4.9239 4.9239 6.4994 6.4994 6.5050 6.5050 6.5068 6.5068 7.5973 7.5973 7.6029 7.6029 14.8547 14.8547 16.4406 16.4406 17.0744 17.0744 17.0748 17.0748 k = 0.0000 0.4390-0.0000 ( 1912 PWs) bands (ev): -7.6258 -7.6258 -6.8597 -6.8597 -4.2995 -4.2995 -4.2973 -4.2973 2.2033 2.2033 3.1467 3.1467 3.3426 3.3426 4.1615 4.1615 4.1646 4.1646 4.1992 4.1992 5.0134 5.0134 6.4115 6.4115 6.5325 6.5325 6.5392 6.5392 7.5547 7.5547 7.5598 7.5598 14.9097 14.9097 16.3962 16.3962 17.1826 17.1826 17.1830 17.1830 k = 0.0000 0.4512-0.0000 ( 1912 PWs) bands (ev): -7.5571 -7.5571 -6.9401 -6.9401 -4.2972 -4.2972 -4.2950 -4.2950 2.2355 2.2355 3.1939 3.1939 3.3019 3.3019 4.1486 4.1486 4.1505 4.1505 4.1523 4.1523 5.0976 5.0976 6.3238 6.3238 6.5619 6.5619 6.5688 6.5688 7.5174 7.5174 7.5219 7.5219 14.9580 14.9580 16.3565 16.3565 17.2764 17.2764 17.2768 17.2768 k = 0.0000 0.4634-0.0000 ( 1912 PWs) bands (ev): -7.4874 -7.4874 -7.0188 -7.0188 -4.2954 -4.2954 -4.2931 -4.2931 2.2625 2.2625 3.2342 3.2342 3.2683 3.2683 4.1094 4.1094 4.1387 4.1387 4.1418 4.1418 5.1732 5.1732 6.2456 6.2456 6.5867 6.5867 6.5937 6.5937 7.4866 7.4866 7.4905 7.4905 14.9981 14.9981 16.3231 16.3231 17.3531 17.3531 17.3536 17.3536 k = 0.0000 0.4756-0.0000 ( 1912 PWs) bands (ev): -7.4178 -7.4178 -7.0949 -7.0949 -4.2941 -4.2941 -4.2918 -4.2918 2.2831 2.2831 3.2429 3.2429 3.2658 3.2658 4.0772 4.0772 4.1315 4.1315 4.1346 4.1346 5.2351 5.2351 6.1818 6.1818 6.6057 6.6057 6.6127 6.6127 7.4634 7.4634 7.4667 7.4667 15.0283 15.0283 16.2978 16.2978 17.4103 17.4103 17.4108 17.4108 k = 0.0000 0.4878-0.0000 ( 1920 PWs) bands (ev): -7.3517 -7.3517 -7.1649 -7.1649 -4.2933 -4.2933 -4.2910 -4.2910 2.2960 2.2960 3.2271 3.2271 3.2858 3.2858 4.0565 4.0565 4.1271 4.1271 4.1303 4.1303 5.2768 5.2768 6.1390 6.1390 6.6176 6.6176 6.6247 6.6247 7.4490 7.4490 7.4518 7.4518 15.0471 15.0471 16.2818 16.2818 17.4456 17.4456 17.4461 17.4461 k = 0.0000 0.5000-0.0000 ( 1936 PWs) bands (ev): -7.3132 -7.3132 -7.2048 -7.2048 -4.2930 -4.2930 -4.2908 -4.2908 2.3003 2.3003 3.2217 3.2217 3.2927 3.2927 4.0493 4.0493 4.1256 4.1256 4.1287 4.1287 5.2917 5.2917 6.1238 6.1238 6.6217 6.6217 6.6288 6.6288 7.4441 7.4441 7.4466 7.4466 15.0535 15.0535 16.2764 16.2764 17.4572 17.4572 17.4577 17.4577 k = 0.0000 0.5000-0.0000 ( 1936 PWs) bands (ev): -7.3132 -7.3132 -7.2048 -7.2048 -4.2930 -4.2930 -4.2908 -4.2908 2.3003 2.3003 3.2217 3.2217 3.2927 3.2927 4.0493 4.0493 4.1256 4.1256 4.1287 4.1287 5.2917 5.2917 6.1238 6.1238 6.6217 6.6217 6.6288 6.6288 7.4441 7.4441 7.4466 7.4466 15.0535 15.0535 16.2764 16.2764 17.4572 17.4572 17.4577 17.4577 k = 0.0122 0.5000-0.0000 ( 1924 PWs) bands (ev): -7.3123 -7.3123 -7.2039 -7.2039 -4.2943 -4.2942 -4.2920 -4.2920 2.2994 2.2997 3.2172 3.2177 3.2881 3.2887 4.0096 4.0104 4.1388 4.1389 4.1706 4.1711 5.2880 5.2882 6.1116 6.1119 6.6228 6.6231 6.6361 6.6369 7.4432 7.4435 7.4474 7.4482 15.0574 15.0575 16.2789 16.2790 17.4568 17.4570 17.4580 17.4581 k = 0.0244 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.3097 -7.3096 -7.2012 -7.2012 -4.2982 -4.2980 -4.2957 -4.2956 2.2968 2.2973 3.2007 3.2015 3.2796 3.2806 3.9505 3.9514 4.1725 4.1726 4.2423 4.2428 5.2771 5.2776 6.0779 6.0786 6.6194 6.6201 6.6631 6.6646 7.4387 7.4394 7.4526 7.4541 15.0694 15.0696 16.2866 16.2868 17.4552 17.4555 17.4590 17.4593 k = 0.0366 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.3053 -7.3052 -7.1967 -7.1967 -4.3047 -4.3044 -4.3016 -4.3016 2.2926 2.2933 3.1681 3.1689 3.2752 3.2761 3.8931 3.8941 4.2242 4.2243 4.3207 4.3212 5.2593 5.2600 6.0287 6.0294 6.6127 6.6137 6.7026 6.7047 7.4310 7.4322 7.4620 7.4642 15.0892 15.0895 16.2994 16.2995 17.4522 17.4527 17.4608 17.4612 k = 0.0488 0.5000-0.0000 ( 1912 PWs) bands (ev): -7.2991 -7.2990 -7.1904 -7.1904 -4.3141 -4.3136 -4.3098 -4.3097 2.2867 2.2878 3.1219 3.1225 3.2763 3.2771 3.8398 3.8409 4.2899 4.2899 4.4033 4.4038 5.2349 5.2358 5.9692 5.9700 6.6031 6.6045 6.7485 6.7512 7.4210 7.4226 7.4751 7.4779 15.1170 15.1174 16.3170 16.3173 17.4483 17.4489 17.4635 17.4640 k = 0.0610 0.5000-0.0000 ( 1912 PWs) bands (ev): -7.2912 -7.2911 -7.1824 -7.1824 -4.3261 -4.3256 -4.3201 -4.3200 2.2794 2.2807 3.0674 3.0677 3.2813 3.2820 3.7911 3.7924 4.3656 4.3656 4.4892 4.4897 5.2044 5.2054 5.9032 5.9039 6.5906 6.5922 6.7964 6.7997 7.4092 7.4114 7.4918 7.4952 15.1525 15.1530 16.3395 16.3397 17.4434 17.4441 17.4672 17.4677 k = 0.0732 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.2816 -7.2814 -7.1726 -7.1726 -4.3409 -4.3402 -4.3326 -4.3325 2.2707 2.2722 3.0082 3.0085 3.2889 3.2895 3.7474 3.7488 4.4483 4.4483 4.5779 4.5784 5.1683 5.1695 5.8332 5.8339 6.5752 6.5770 6.8430 6.8469 7.3969 7.3997 7.5116 7.5155 15.1956 15.1962 16.3665 16.3668 17.4376 17.4385 17.4719 17.4726 k = 0.0854 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.2702 -7.2699 -7.1610 -7.1610 -4.3583 -4.3576 -4.3474 -4.3472 2.2607 2.2624 2.9470 2.9472 3.2986 3.2991 3.7088 3.7103 4.5356 4.5358 4.6688 4.6693 5.1273 5.1286 5.7612 5.7617 6.5568 6.5588 6.8855 6.8901 7.3857 7.3892 7.5344 7.5387 15.2462 15.2469 16.3978 16.3981 17.4312 17.4322 17.4780 17.4787 k = 0.0976 0.5000-0.0000 ( 1912 PWs) bands (ev): -7.2570 -7.2568 -7.1476 -7.1476 -4.3783 -4.3775 -4.3643 -4.3642 2.2497 2.2516 2.8854 2.8855 3.3101 3.3105 3.6753 3.6770 4.6256 4.6259 4.7612 4.7618 5.0823 5.0836 5.6887 5.6891 6.5355 6.5376 6.9207 6.9260 7.3780 7.3822 7.5598 7.5645 15.3041 15.3049 16.4331 16.4333 17.4241 17.4253 17.4857 17.4864 k = 0.1098 0.5000-0.0000 ( 1912 PWs) bands (ev): -7.2422 -7.2419 -7.1325 -7.1325 -4.4008 -4.3999 -4.3835 -4.3834 2.2378 2.2399 2.8246 2.8246 3.3233 3.3236 3.6469 3.6487 4.7159 4.7165 4.8529 4.8539 5.0355 5.0365 5.6175 5.6177 6.5113 6.5135 6.9455 6.9515 7.3765 7.3814 7.5874 7.5923 15.3691 15.3699 16.4718 16.4721 17.4167 17.4179 17.4952 17.4960 k = 0.1220 0.5000-0.0000 ( 1912 PWs) bands (ev): -7.2256 -7.2253 -7.1157 -7.1157 -4.4259 -4.4249 -4.4049 -4.4047 2.2252 2.2275 2.7651 2.7652 3.3378 3.3381 3.6235 3.6254 4.8039 4.8048 4.9274 4.9302 5.0029 5.0036 5.5499 5.5501 6.4846 6.4868 6.9573 6.9636 7.3839 7.3892 7.6167 7.6218 15.4410 15.4419 16.5136 16.5138 17.4088 17.4101 17.5071 17.5079 k = 0.1341 0.5000-0.0000 ( 1906 PWs) bands (ev): -7.2073 -7.2069 -7.0971 -7.0971 -4.4533 -4.4523 -4.4284 -4.4283 2.2124 2.2148 2.7078 2.7079 3.3538 3.3540 3.6049 3.6069 4.8850 4.8862 4.9073 4.9102 5.0633 5.0641 5.4902 5.4908 6.4556 6.4578 6.9548 6.9612 7.4014 7.4067 7.6474 7.6527 15.5196 15.5206 16.5580 16.5580 17.4008 17.4022 17.5217 17.5224 k = 0.1463 0.5000-0.0000 ( 1908 PWs) bands (ev): -7.1873 -7.1869 -7.0768 -7.0768 -4.4832 -4.4821 -4.4541 -4.4540 2.1994 2.2019 2.6530 2.6531 3.3710 3.3711 3.5909 3.5929 4.8524 4.8550 4.9511 4.9530 5.1563 5.1566 5.4464 5.4476 6.4247 6.4270 6.9391 6.9453 7.4279 7.4330 7.6790 7.6845 15.6046 15.6056 16.6040 16.6041 17.3926 17.3941 17.5395 17.5402 k = 0.1585 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.1656 -7.1652 -7.0549 -7.0548 -4.5154 -4.5142 -4.4819 -4.4818 2.1866 2.1892 2.6010 2.6012 3.3892 3.3893 3.5812 3.5833 4.7923 4.7948 4.9893 4.9918 5.2515 5.2517 5.4314 5.4332 6.3926 6.3947 6.9123 6.9180 7.4611 7.4659 7.7112 7.7168 15.6957 15.6969 16.6511 16.6513 17.3844 17.3859 17.5613 17.5619 k = 0.1707 0.5000-0.0000 ( 1920 PWs) bands (ev): -7.1423 -7.1418 -7.0312 -7.0312 -4.5499 -4.5486 -4.5118 -4.5116 2.1743 2.1770 2.5521 2.5523 3.4084 3.4084 3.5756 3.5778 4.7298 4.7324 4.9895 4.9924 5.3459 5.3460 5.4554 5.4575 6.3601 6.3622 6.8769 6.8822 7.4988 7.5031 7.7438 7.7494 15.7929 15.7941 16.6983 16.6988 17.3762 17.3778 17.5876 17.5881 k = 0.1829 0.5000-0.0000 ( 1908 PWs) bands (ev): -7.1173 -7.1168 -7.0059 -7.0059 -4.5865 -4.5852 -4.5437 -4.5436 2.1628 2.1655 2.5066 2.5068 3.4282 3.4282 3.5737 3.5760 4.6658 4.6684 4.9573 4.9601 5.4376 5.4376 5.5131 5.5152 6.3287 6.3307 6.8350 6.8399 7.5389 7.5429 7.7762 7.7819 15.8957 15.8970 16.7451 16.7457 17.3683 17.3700 17.6192 17.6195 k = 0.1951 0.5000-0.0000 ( 1908 PWs) bands (ev): -7.0906 -7.0901 -6.9790 -6.9790 -4.6252 -4.6239 -4.5776 -4.5775 2.1523 2.1550 2.4644 2.4646 3.4484 3.4485 3.5752 3.5775 4.6010 4.6036 4.9059 4.9086 5.5241 5.5242 5.5908 5.5927 6.3001 6.3021 6.7881 6.7927 7.5800 7.5837 7.8084 7.8140 16.0040 16.0053 16.7905 16.7913 17.3606 17.3623 17.6566 17.6568 k = 0.2073 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.0624 -7.0618 -6.9505 -6.9504 -4.6660 -4.6646 -4.6135 -4.6133 2.1429 2.1457 2.4257 2.4260 3.4687 3.4688 3.5796 3.5820 4.5358 4.5384 4.8455 4.8480 5.6024 5.6026 5.6782 5.6800 6.2776 6.2795 6.7376 6.7419 7.6213 7.6247 7.8399 7.8455 16.1174 16.1187 16.8337 16.8349 17.3532 17.3550 17.7004 17.7005 k = 0.2195 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.0325 -7.0319 -6.9203 -6.9203 -4.7086 -4.7072 -4.6512 -4.6510 2.1351 2.1379 2.3907 2.3910 3.4887 3.4889 3.5865 3.5890 4.4708 4.4735 4.7815 4.7840 5.6678 5.6681 5.7698 5.7714 6.2657 6.2674 6.6845 6.6885 7.6620 7.6651 7.8705 7.8760 16.2357 16.2371 16.8745 16.8759 17.3464 17.3482 17.7509 17.7511 k = 0.2317 0.5000-0.0000 ( 1916 PWs) bands (ev): -7.0011 -7.0004 -6.8886 -6.8886 -4.7531 -4.7516 -4.6907 -4.6905 2.1289 2.1317 2.3594 2.3596 3.5078 3.5082 3.5953 3.5979 4.4067 4.4094 4.7172 4.7196 5.7143 5.7148 5.8621 5.8635 6.2701 6.2717 6.6301 6.6339 7.7016 7.7046 7.9000 7.9055 16.3586 16.3600 16.9124 16.9140 17.3402 17.3420 17.8082 17.8086 k = 0.2439 0.5000-0.0000 ( 1916 PWs) bands (ev): -6.9681 -6.9674 -6.8554 -6.8554 -4.7993 -4.7978 -4.7319 -4.7318 2.1245 2.1273 2.3317 2.3319 3.5255 3.5259 3.6054 3.6081 4.3443 4.3470 4.6546 4.6571 5.7375 5.7381 5.9524 5.9537 6.2955 6.2969 6.5761 6.5796 7.7400 7.7427 7.9283 7.9337 16.4859 16.4874 16.9474 16.9492 17.3348 17.3365 17.8722 17.8727 k = 0.2561 0.5000-0.0000 ( 1924 PWs) bands (ev): -6.9336 -6.9329 -6.8207 -6.8207 -4.8471 -4.8456 -4.7748 -4.7747 2.1221 2.1248 2.3077 2.3080 3.5409 3.5414 3.6158 3.6186 4.2843 4.2871 4.5955 4.5979 5.7371 5.7379 6.0372 6.0385 6.3416 6.3428 6.5250 6.5284 7.7767 7.7793 7.9550 7.9603 16.6173 16.6187 16.9797 16.9816 17.3304 17.3321 17.9425 17.9431 k = 0.2683 0.5000-0.0000 ( 1924 PWs) bands (ev): -6.8975 -6.8968 -6.7846 -6.7845 -4.8964 -4.8949 -4.8193 -4.8191 2.1217 2.1244 2.2874 2.2876 3.5530 3.5536 3.6254 3.6283 4.2283 4.2311 4.5413 4.5437 5.7176 5.7186 6.1102 6.1116 6.4040 6.4051 6.4832 6.4863 7.8117 7.8141 7.9801 7.9853 16.7524 16.7539 17.0096 17.0118 17.3271 17.3287 18.0183 18.0189 k = 0.2805 0.5000-0.0000 ( 1924 PWs) bands (ev): -6.8600 -6.8592 -6.7470 -6.7469 -4.9472 -4.9456 -4.8652 -4.8650 2.1233 2.1260 2.2706 2.2709 3.5608 3.5615 3.6325 3.6354 4.1778 4.1806 4.4935 4.4959 5.6847 5.6857 6.1585 6.1601 6.4631 6.4656 6.4771 6.4783 7.8448 7.8471 8.0035 8.0085 16.8909 16.8923 17.0378 17.0400 17.3254 17.3269 18.0987 18.0994 k = 0.2927 0.5000-0.0000 ( 1918 PWs) bands (ev): -6.8210 -6.8203 -6.7081 -6.7080 -4.9992 -4.9976 -4.9125 -4.9123 2.1271 2.1297 2.2575 2.2577 3.5632 3.5639 3.6350 3.6378 4.1351 4.1378 4.4536 4.4561 5.6427 5.6437 6.1663 6.1683 6.4804 6.4824 6.5563 6.5574 7.8760 7.8782 8.0249 8.0298 17.0320 17.0334 17.0646 17.0669 17.3258 17.3273 18.1826 18.1831 k = 0.3049 0.5000-0.0000 ( 1914 PWs) bands (ev): -6.7807 -6.7798 -6.6678 -6.6677 -5.0524 -5.0508 -4.9611 -4.9609 2.1330 2.1355 2.2478 2.2480 3.5590 3.5598 3.6305 3.6332 4.1027 4.1053 4.4228 4.4254 5.5946 5.5956 6.1372 6.1395 6.5312 6.5329 6.6385 6.6395 7.9050 7.9071 8.0442 8.0490 17.0906 17.0929 17.1735 17.1745 17.3310 17.3320 18.2682 18.2686 k = 0.3171 0.5000-0.0000 ( 1916 PWs) bands (ev): -6.7389 -6.7380 -6.6262 -6.6261 -5.1067 -5.1051 -5.0108 -5.0106 2.1410 2.1434 2.2414 2.2416 3.5476 3.5485 3.6169 3.6195 4.0827 4.0850 4.4021 4.4046 5.5424 5.5434 6.0882 6.0906 6.5985 6.5999 6.7215 6.7226 7.9319 7.9339 8.0614 8.0661 17.1164 17.1187 17.2898 17.2909 17.3653 17.3665 18.3530 18.3531 k = 0.3293 0.5000-0.0000 ( 1912 PWs) bands (ev): -6.6958 -6.6949 -6.5834 -6.5834 -5.1619 -5.1603 -5.0615 -5.0614 2.1510 2.1534 2.2382 2.2385 3.5289 3.5298 3.5937 3.5959 4.0759 4.0778 4.3917 4.3943 5.4872 5.4881 6.0302 6.0326 6.6713 6.6726 6.8041 6.8052 7.9566 7.9585 8.0764 8.0809 17.1423 17.1446 17.3184 17.3202 17.4914 17.4933 18.4321 18.4324 k = 0.3415 0.5000-0.0000 ( 1916 PWs) bands (ev): -6.6513 -6.6504 -6.5395 -6.5394 -5.2180 -5.2164 -5.1132 -5.1131 2.1629 2.1652 2.2380 2.2383 3.5034 3.5042 3.5616 3.5635 4.0814 4.0829 4.3914 4.3939 5.4299 5.4308 5.9678 5.9702 6.7448 6.7460 6.8853 6.8864 7.9791 7.9809 8.0890 8.0934 17.1688 17.1710 17.3282 17.3299 17.6414 17.6433 18.4957 18.4968 k = 0.3537 0.5000-0.0000 ( 1916 PWs) bands (ev): -6.6056 -6.6047 -6.4945 -6.4944 -5.2748 -5.2732 -5.1657 -5.1655 2.1767 2.1788 2.2407 2.2409 3.4720 3.4728 3.5229 3.5244 4.0973 4.0984 4.4002 4.4026 5.3711 5.3721 5.9034 5.9057 6.8167 6.8178 6.9642 6.9653 7.9994 8.0011 8.0994 8.1035 17.1962 17.1983 17.3377 17.3393 17.7960 17.7979 18.5268 18.5289 k = 0.3659 0.5000-0.0000 ( 1920 PWs) bands (ev): -6.5587 -6.5577 -6.4485 -6.4484 -5.3322 -5.3306 -5.2188 -5.2186 2.1920 2.1940 2.2460 2.2462 3.4360 3.4368 3.4797 3.4810 4.1214 4.1221 4.4170 4.4193 5.3114 5.3123 5.8382 5.8404 6.8857 6.8867 7.0402 7.0414 8.0175 8.0191 8.1073 8.1112 17.2247 17.2268 17.3487 17.3502 17.9533 17.9552 18.4626 18.4627 k = 0.3780 0.5000-0.0000 ( 1920 PWs) bands (ev): -6.5106 -6.5096 -6.4015 -6.4014 -5.3901 -5.3886 -5.2724 -5.2722 2.2087 2.2106 2.2536 2.2538 3.3971 3.3978 3.4342 3.4353 4.1517 4.1522 4.4404 4.4426 5.2510 5.2519 5.7729 5.7751 6.9509 6.9519 7.1129 7.1140 8.0335 8.0350 8.1130 8.1167 17.2546 17.2565 17.3617 17.3631 18.1122 18.1142 18.3930 18.3931 k = 0.3902 0.5000-0.0000 ( 1932 PWs) bands (ev): -6.4614 -6.4603 -6.3538 -6.3537 -5.4485 -5.4469 -5.3263 -5.3262 2.2264 2.2282 2.2631 2.2633 3.3565 3.3571 3.3881 3.3890 4.1868 4.1871 4.4691 4.4712 5.1903 5.1911 5.7082 5.7103 7.0117 7.0126 7.1815 7.1827 8.0472 8.0486 8.1163 8.1198 17.2858 17.2876 17.3769 17.3781 18.2671 18.2694 18.3306 18.3311 k = 0.4024 0.5000-0.0000 ( 1930 PWs) bands (ev): -6.4110 -6.4099 -6.3055 -6.3054 -5.5071 -5.5055 -5.3803 -5.3802 2.2450 2.2466 2.2743 2.2745 3.3157 3.3162 3.3428 3.3435 4.2258 4.2259 4.5018 4.5038 5.1295 5.1303 5.6448 5.6468 7.0677 7.0686 7.2457 7.2469 8.0590 8.0603 8.1176 8.1208 17.3184 17.3200 17.3942 17.3953 18.2547 18.2550 18.3638 18.3656 k = 0.4146 0.5000-0.0000 ( 1930 PWs) bands (ev): -6.3596 -6.3585 -6.2568 -6.2567 -5.5659 -5.5644 -5.4342 -5.4340 2.2638 2.2653 2.2866 2.2868 3.2758 3.2763 3.2993 3.2999 4.2677 4.2677 4.5373 4.5392 5.0690 5.0698 5.5833 5.5852 7.1184 7.1192 7.3049 7.3061 8.0689 8.0701 8.1170 8.1200 17.3521 17.3536 17.4134 17.4145 18.1928 18.1931 18.3029 18.3044 k = 0.4268 0.5000-0.0000 ( 1930 PWs) bands (ev): -6.3073 -6.3061 -6.2080 -6.2079 -5.6248 -5.6233 -5.4875 -5.4874 2.2824 2.2837 2.2994 2.2996 3.2381 3.2385 3.2586 3.2592 4.3119 4.3121 4.5743 4.5761 5.0090 5.0097 5.5245 5.5263 7.1634 7.1641 7.3586 7.3598 8.0770 8.0780 8.1148 8.1175 17.3867 17.3880 17.4345 17.4354 18.1335 18.1337 18.2426 18.2438 k = 0.4390 0.5000-0.0000 ( 1938 PWs) bands (ev): -6.2540 -6.2528 -6.1596 -6.1595 -5.6836 -5.6822 -5.5399 -5.5397 2.3001 2.3013 2.3122 2.3123 3.2036 3.2040 3.2219 3.2224 4.3579 4.3581 4.6115 4.6131 4.9500 4.9506 5.4694 5.4710 7.2022 7.2027 7.4059 7.4070 8.0834 8.0843 8.1115 8.1138 17.4214 17.4225 17.4566 17.4575 18.0783 18.0785 18.1848 18.1858 k = 0.4512 0.5000-0.0000 ( 1936 PWs) bands (ev): -6.1999 -6.1986 -6.1123 -6.1122 -5.7424 -5.7410 -5.5904 -5.5902 2.3162 2.3172 2.3241 2.3243 3.1735 3.1738 3.1899 3.1903 4.4050 4.4052 4.6472 4.6486 4.8924 4.8930 5.4194 5.4208 7.2345 7.2350 7.4464 7.4473 8.0883 8.0891 8.1074 8.1094 17.4551 17.4561 17.4791 17.4799 18.0284 18.0286 18.1314 18.1322 k = 0.4634 0.5000-0.0000 ( 1936 PWs) bands (ev): -6.1450 -6.1437 -6.0676 -6.0675 -5.8009 -5.7995 -5.6376 -5.6375 2.3300 2.3307 2.3346 2.3347 3.1487 3.1489 3.1638 3.1641 4.4520 4.4523 4.6795 4.6806 4.8373 4.8378 5.3763 5.3775 7.2601 7.2605 7.4790 7.4798 8.0919 8.0925 8.1034 8.1049 17.4863 17.4870 17.5006 17.5012 17.9855 17.9857 18.0846 18.0851 k = 0.4756 0.5000-0.0000 ( 1936 PWs) bands (ev): -6.0895 -6.0882 -6.0281 -6.0281 -5.8590 -5.8576 -5.6789 -5.6788 2.3405 2.3411 2.3427 2.3429 3.1302 3.1303 3.1443 3.1445 4.4967 4.4971 4.7057 4.7065 4.7868 4.7873 5.3426 5.3434 7.2786 7.2788 7.5032 7.5037 8.0941 8.0947 8.1002 8.1011 17.5123 17.5128 17.5190 17.5194 17.9516 17.9518 18.0472 18.0475 k = 0.4878 0.5000-0.0000 ( 1928 PWs) bands (ev): -6.0338 -6.0325 -5.9990 -5.9990 -5.9162 -5.9149 -5.7091 -5.7090 2.3472 2.3475 2.3480 2.3481 3.1187 3.1188 3.1323 3.1324 4.5338 4.5340 4.7232 4.7236 4.7466 4.7469 5.3208 5.3213 7.2899 7.2900 7.5182 7.5184 8.0951 8.0954 8.0987 8.0991 17.5300 17.5303 17.5318 17.5320 17.9296 17.9297 18.0226 18.0228 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -5.9889 -5.9889 -5.9869 -5.9869 -5.9614 -5.9614 -5.7206 -5.7206 2.3495 2.3495 2.3500 2.3500 3.1149 3.1149 3.1283 3.1283 4.5499 4.5499 4.7284 4.7284 4.7307 4.7307 5.3134 5.3134 7.2937 7.2937 7.5233 7.5233 8.0952 8.0952 8.0986 8.0986 17.5363 17.5363 17.5366 17.5366 17.9219 17.9219 18.0140 18.0140 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -5.9889 -5.9889 -5.9869 -5.9869 -5.9614 -5.9614 -5.7206 -5.7206 2.3495 2.3495 2.3500 2.3500 3.1149 3.1149 3.1283 3.1283 4.5499 4.5499 4.7284 4.7284 4.7307 4.7307 5.3134 5.3134 7.2937 7.2937 7.5233 7.5233 8.0952 8.0952 8.0986 8.0986 17.5363 17.5363 17.5366 17.5366 17.9219 17.9219 18.0140 18.0140 k = 0.4914 0.4914-0.0000 ( 1928 PWs) bands (ev): -6.0405 -6.0393 -5.9870 -5.9870 -5.9218 -5.9207 -5.7086 -5.7085 2.3452 2.3455 2.3501 2.3501 3.1175 3.1175 3.1335 3.1337 4.5334 4.5336 4.7298 4.7298 4.7402 4.7410 5.3209 5.3213 7.2899 7.2900 7.5181 7.5184 8.0927 8.0932 8.1010 8.1012 17.5197 17.5200 17.5425 17.5427 17.9289 17.9290 18.0230 18.0231 k = 0.4828 0.4828-0.0000 ( 1936 PWs) bands (ev): -6.1107 -6.1095 -5.9846 -5.9846 -5.8861 -5.8851 -5.6739 -5.6736 2.3326 2.3332 2.3511 2.3511 3.1186 3.1187 3.1555 3.1557 4.4932 4.4934 4.7310 4.7311 4.7644 4.7657 5.3433 5.3442 7.2787 7.2789 7.5034 7.5039 8.0826 8.0833 8.1119 8.1122 17.4752 17.4757 17.5607 17.5611 17.9429 17.9430 18.0511 18.0513 k = 0.4741 0.4741-0.0000 ( 1936 PWs) bands (ev): -6.1854 -6.1843 -5.9805 -5.9805 -5.8631 -5.8623 -5.6219 -5.6214 2.3137 2.3145 2.3528 2.3528 3.1172 3.1174 3.1933 3.1936 4.4412 4.4413 4.7329 4.7330 4.7915 4.7932 5.3794 5.3807 7.2605 7.2608 7.4797 7.4805 8.0656 8.0665 8.1296 8.1299 17.4132 17.4139 17.5910 17.5915 17.9556 17.9560 18.0961 18.0963 k = 0.4655 0.4655-0.0000 ( 1936 PWs) bands (ev): -6.2625 -6.2615 -5.9748 -5.9748 -5.8472 -5.8467 -5.5601 -5.5594 2.2904 2.2915 2.3552 2.3552 3.1144 3.1147 3.2438 3.2441 4.3836 4.3837 4.7355 4.7357 4.8172 4.8191 5.4275 5.4290 7.2355 7.2359 7.4483 7.4493 8.0419 8.0431 8.1527 8.1530 17.3410 17.3417 17.6329 17.6336 17.9658 17.9665 18.1507 18.1509 k = 0.4569 0.4569-0.0000 ( 1932 PWs) bands (ev): -6.3411 -6.3402 -5.9674 -5.9674 -5.8344 -5.8340 -5.4939 -5.4929 2.2650 2.2663 2.3582 2.3582 3.1104 3.1108 3.3044 3.3047 4.3236 4.3239 4.7389 4.7391 4.8404 4.8425 5.4855 5.4872 7.2042 7.2047 7.4101 7.4113 8.0120 8.0135 8.1800 8.1803 17.2627 17.2636 17.6861 17.6869 17.9743 17.9752 18.2086 18.2089 k = 0.4483 0.4483-0.0000 ( 1926 PWs) bands (ev): -6.4205 -6.4196 -5.9585 -5.9584 -5.8223 -5.8221 -5.4259 -5.4249 2.2392 2.2406 2.3617 2.3618 3.1051 3.1056 3.3733 3.3736 4.2630 4.2634 4.7430 4.7433 4.8616 4.8638 5.5513 5.5531 7.1668 7.1674 7.3663 7.3676 7.9761 7.9778 8.2104 8.2107 17.1807 17.1817 17.7498 17.7509 17.9806 17.9819 18.2655 18.2661 k = 0.4397 0.4397-0.0000 ( 1923 PWs) bands (ev): -6.5004 -6.4996 -5.9479 -5.9479 -5.8100 -5.8099 -5.3579 -5.3567 2.2143 2.2159 2.3658 2.3659 3.0981 3.0987 3.4487 3.4490 4.2033 4.2038 4.7479 4.7482 4.8815 4.8838 5.6230 5.6249 7.1236 7.1242 7.3182 7.3195 7.9344 7.9364 8.2430 8.2433 17.0964 17.0974 17.8230 17.8244 17.9836 17.9852 18.3179 18.3187 k = 0.4310 0.4310-0.0000 ( 1913 PWs) bands (ev): -6.5803 -6.5796 -5.9357 -5.9357 -5.7969 -5.7969 -5.2906 -5.2894 2.1914 2.1932 2.3704 2.3705 3.0893 3.0900 3.5294 3.5297 4.1454 4.1461 4.7535 4.7538 4.9008 4.9032 5.6993 5.7013 7.0744 7.0749 7.2669 7.2683 7.8877 7.8899 8.2772 8.2774 17.0105 17.0115 17.9037 17.9056 17.9812 17.9831 18.3614 18.3624 k = 0.4224 0.4224-0.0000 ( 1921 PWs) bands (ev): -6.6603 -6.6596 -5.9220 -5.9220 -5.7829 -5.7828 -5.2246 -5.2233 2.1713 2.1733 2.3754 2.3754 3.0782 3.0790 3.6141 3.6145 4.0905 4.0913 4.7596 4.7601 4.9201 4.9226 5.7789 5.7809 7.0190 7.0195 7.2136 7.2150 7.8360 7.8384 8.3123 8.3125 16.9235 16.9246 17.9703 17.9724 17.9870 17.9895 18.3897 18.3908 k = 0.4138 0.4138-0.0000 ( 1927 PWs) bands (ev): -6.7399 -6.7393 -5.9067 -5.9066 -5.7676 -5.7675 -5.1604 -5.1589 2.1546 2.1568 2.3806 2.3807 3.0646 3.0656 3.7016 3.7019 4.0398 4.0407 4.7665 4.7670 4.9402 4.9427 5.8608 5.8629 6.9573 6.9577 7.1595 7.1608 7.7802 7.7829 8.3479 8.3482 16.8359 16.8370 17.9471 17.9496 18.0547 18.0585 18.3731 18.3753 k = 0.4052 0.4052-0.0000 ( 1931 PWs) bands (ev): -6.8192 -6.8185 -5.8898 -5.8898 -5.7511 -5.7509 -5.0981 -5.0966 2.1419 2.1443 2.3861 2.3862 3.0482 3.0494 3.7887 3.7889 3.9963 3.9971 4.7740 4.7746 4.9613 4.9640 5.9444 5.9464 6.8895 6.8897 7.1057 7.1069 7.7208 7.7238 8.3836 8.3838 16.7480 16.7491 17.9072 17.9099 18.0459 18.0502 18.3440 18.3465 k = 0.3966 0.3966-0.0000 ( 1929 PWs) bands (ev): -6.8979 -6.8973 -5.8714 -5.8714 -5.7333 -5.7330 -5.0381 -5.0365 2.1334 2.1360 2.3918 2.3918 3.0287 3.0301 3.8617 3.8623 3.9736 3.9737 4.7821 4.7827 4.9840 4.9869 6.0287 6.0309 6.8158 6.8158 7.0527 7.0538 7.6586 7.6618 8.4194 8.4196 16.6600 16.6611 17.8473 17.8500 17.9422 17.9451 18.3370 18.3385 k = 0.3879 0.3879-0.0000 ( 1929 PWs) bands (ev): -6.9759 -6.9754 -5.8515 -5.8514 -5.7141 -5.7137 -4.9805 -4.9788 2.1294 2.1321 2.3974 2.3974 3.0061 3.0077 3.8733 3.8750 4.0171 4.0180 4.7908 4.7915 5.0089 5.0119 6.1133 6.1155 6.7365 6.7368 7.0006 7.0016 7.5944 7.5977 8.4548 8.4550 16.5720 16.5732 17.7667 17.7692 17.8056 17.8077 18.2979 18.3000 k = 0.3793 0.3793-0.0000 ( 1925 PWs) bands (ev): -7.0532 -7.0527 -5.8301 -5.8300 -5.6936 -5.6932 -4.9255 -4.9238 2.1298 2.1327 2.4029 2.4029 2.9804 2.9821 3.8486 3.8504 4.1032 4.1042 4.8000 4.8008 5.0364 5.0396 6.1971 6.1994 6.6529 6.6533 6.9496 6.9504 7.5291 7.5326 8.4897 8.4898 16.4841 16.4853 17.6594 17.6613 17.6684 17.6709 18.2612 18.2637 k = 0.3707 0.3707-0.0000 ( 1917 PWs) bands (ev): -7.1296 -7.1292 -5.8072 -5.8071 -5.6718 -5.6713 -4.8732 -4.8714 2.1347 2.1379 2.4080 2.4081 2.9517 2.9536 3.8211 3.8230 4.1968 4.1980 4.8097 4.8105 5.0671 5.0706 6.2794 6.2818 6.5656 6.5661 6.8996 6.9003 7.4640 7.4676 8.5240 8.5242 16.3965 16.3978 17.5102 17.5117 17.5563 17.5583 18.2268 18.2295 k = 0.3621 0.3621-0.0000 ( 1913 PWs) bands (ev): -7.2051 -7.2047 -5.7829 -5.7828 -5.6487 -5.6482 -4.8238 -4.8220 2.1439 2.1473 2.4127 2.4128 2.9206 2.9227 3.7961 3.7981 4.2913 4.2926 4.8198 4.8207 5.1018 5.1056 6.3589 6.3614 6.4754 6.4761 6.8506 6.8512 7.4006 7.4043 8.5576 8.5578 16.3093 16.3106 17.3595 17.3607 17.4342 17.4358 18.1930 18.1958 k = 0.3534 0.3534-0.0000 ( 1915 PWs) bands (ev): -7.2796 -7.2792 -5.7572 -5.7571 -5.6244 -5.6238 -4.7773 -4.7754 2.1569 2.1606 2.4168 2.4169 2.8877 2.8901 3.7744 3.7765 4.3843 4.3858 4.8304 4.8313 5.1414 5.1455 6.3832 6.3841 6.4337 6.4364 6.8023 6.8028 7.3412 7.3450 8.5903 8.5905 16.2224 16.2238 17.2083 17.2094 17.3051 17.3064 18.1581 18.1610 k = 0.3448 0.3448-0.0000 ( 1913 PWs) bands (ev): -7.3529 -7.3526 -5.7301 -5.7300 -5.5988 -5.5982 -4.7338 -4.7319 2.1734 2.1773 2.4200 2.4201 2.8541 2.8567 3.7560 3.7582 4.4740 4.4757 4.8413 4.8423 5.1870 5.1914 6.2898 6.2908 6.5012 6.5041 6.7548 6.7553 7.2890 7.2927 8.6221 8.6223 16.1360 16.1374 17.0572 17.0581 17.1711 17.1722 18.1213 18.1244 k = 0.3362 0.3362-0.0000 ( 1915 PWs) bands (ev): -7.4251 -7.4248 -5.7017 -5.7016 -5.5720 -5.5713 -4.6933 -4.6914 2.1921 2.1963 2.4221 2.4222 2.8213 2.8241 3.7406 3.7428 4.5590 4.5609 4.8525 4.8536 5.2394 5.2441 6.1958 6.1970 6.5575 6.5608 6.7082 6.7087 7.2484 7.2519 8.6529 8.6531 16.0500 16.0514 16.9065 16.9072 17.0335 17.0344 18.0822 18.0854 k = 0.3276 0.3276-0.0000 ( 1915 PWs) bands (ev): -7.4961 -7.4958 -5.6719 -5.6719 -5.5441 -5.5434 -4.6559 -4.6539 2.2116 2.2162 2.4229 2.4231 2.7911 2.7942 3.7276 3.7298 4.6379 4.6399 4.8639 4.8651 5.2997 5.3046 6.1020 6.1033 6.5976 6.6014 6.6626 6.6629 7.2249 7.2282 8.6827 8.6828 15.9645 15.9659 16.7564 16.7571 16.8936 16.8942 18.0406 18.0439 k = 0.3190 0.3190-0.0000 ( 1917 PWs) bands (ev): -7.5657 -7.5655 -5.6410 -5.6409 -5.5150 -5.5143 -4.6215 -4.6195 2.2299 2.2347 2.4222 2.4224 2.7660 2.7693 3.7164 3.7186 4.7098 4.7120 4.8755 4.8768 5.3679 5.3731 6.0091 6.0106 6.6164 6.6181 6.6186 6.6216 7.2238 7.2267 8.7113 8.7114 15.8794 15.8809 16.6073 16.6079 16.7520 16.7525 17.9968 18.0001 k = 0.3103 0.3103-0.0000 ( 1913 PWs) bands (ev): -7.6340 -7.6338 -5.6088 -5.6087 -5.4849 -5.4841 -4.5901 -4.5881 2.2440 2.2490 2.4196 2.4198 2.7495 2.7529 3.7065 3.7087 4.7745 4.7766 4.8873 4.8886 5.4438 5.4492 5.9177 5.9193 6.5740 6.5744 6.6161 6.6209 7.2462 7.2488 8.7388 8.7389 15.7948 15.7963 16.4594 16.4598 16.6094 16.6097 17.9508 17.9543 k = 0.3017 0.3017-0.0000 ( 1911 PWs) bands (ev): -7.7009 -7.7007 -5.5754 -5.5754 -5.4538 -5.4529 -4.5617 -4.5596 2.2507 2.2556 2.4150 2.4153 2.7449 2.7482 3.6974 3.6996 4.8322 4.8343 4.8991 4.9005 5.5258 5.5313 5.8283 5.8300 6.5314 6.5317 6.5986 6.6039 7.2889 7.2912 8.7652 8.7653 15.7105 15.7121 16.3127 16.3131 16.4663 16.4665 17.9031 17.9066 k = 0.2931 0.2931-0.0000 ( 1911 PWs) bands (ev): -7.7664 -7.7662 -5.5410 -5.5409 -5.4217 -5.4208 -4.5361 -4.5340 2.2474 2.2521 2.4080 2.4082 2.7552 2.7582 3.6885 3.6906 4.8838 4.8858 4.9108 4.9124 5.6116 5.6170 5.7415 5.7434 6.4899 6.4901 6.5723 6.5779 7.3462 7.3483 8.7904 8.7905 15.6266 15.6283 16.1675 16.1678 16.3232 16.3233 17.8539 17.8575 k = 0.2845 0.2845-0.0000 ( 1919 PWs) bands (ev): -7.8303 -7.8302 -5.5055 -5.5054 -5.3887 -5.3878 -4.5133 -4.5112 2.2333 2.2375 2.3983 2.3986 2.7811 2.7836 3.6793 3.6814 4.9224 4.9239 4.9304 4.9321 5.6578 5.6598 5.6976 5.7029 6.4495 6.4498 6.5448 6.5506 7.4129 7.4149 8.8143 8.8145 15.5431 15.5448 16.0239 16.0241 16.1803 16.1804 17.8035 17.8071 k = 0.2759 0.2759-0.0000 ( 1907 PWs) bands (ev): -7.8928 -7.8926 -5.4690 -5.4689 -5.3549 -5.3540 -4.4931 -4.4911 2.2095 2.2131 2.3858 2.3860 2.8216 2.8236 3.6694 3.6714 4.9338 4.9356 4.9727 4.9743 5.5781 5.5803 5.7792 5.7843 6.4105 6.4107 6.5240 6.5297 7.4855 7.4874 8.8371 8.8372 15.4597 15.4615 15.8822 15.8823 16.0382 16.0384 17.7523 17.7559 k = 0.2672 0.2672-0.0000 ( 1909 PWs) bands (ev): -7.9536 -7.9534 -5.4316 -5.4315 -5.3203 -5.3194 -4.4756 -4.4736 2.1779 2.1811 2.3700 2.3703 2.8744 2.8757 3.6583 3.6603 4.9449 4.9469 5.0119 5.0133 5.5026 5.5050 5.8501 5.8547 6.3727 6.3729 6.5176 6.5230 7.5614 7.5633 8.8587 8.8588 15.3765 15.3783 15.7425 15.7425 15.8971 15.8974 17.7003 17.7039 k = 0.2586 0.2586-0.0000 ( 1909 PWs) bands (ev): -8.0128 -8.0127 -5.3933 -5.3933 -5.2851 -5.2841 -4.4604 -4.4584 2.1409 2.1436 2.3509 2.3512 2.9370 2.9379 3.6458 3.6477 4.9556 4.9577 5.0487 5.0499 5.4319 5.4345 5.9036 5.9073 6.3364 6.3365 6.5333 6.5380 7.6392 7.6410 8.8791 8.8792 15.2933 15.2952 15.6049 15.6049 15.7575 15.7579 17.6478 17.6514 k = 0.2500 0.2500-0.0000 ( 1909 PWs) bands (ev): -8.0704 -8.0702 -5.3543 -5.3542 -5.2492 -5.2482 -4.4475 -4.4456 2.1001 2.1025 2.3282 2.3285 3.0076 3.0081 3.6316 3.6333 4.9657 4.9680 5.0836 5.0847 5.3662 5.3691 5.9353 5.9378 6.3015 6.3016 6.5760 6.5796 7.7178 7.7196 8.8982 8.8983 15.2100 15.2119 15.4696 15.4696 15.6196 15.6201 17.5950 17.5985 k = 0.2414 0.2414-0.0000 ( 1909 PWs) bands (ev): -8.1262 -8.1261 -5.3146 -5.3145 -5.2128 -5.2118 -4.4368 -4.4349 2.0570 2.0590 2.3018 2.3022 3.0845 3.0846 3.6156 3.6172 4.9750 4.9777 5.1171 5.1181 5.3062 5.3093 5.9463 5.9476 6.2681 6.2682 6.6445 6.6469 7.7965 7.7983 8.9163 8.9164 15.1264 15.1284 15.3367 15.3368 15.4838 15.4845 17.5420 17.5454 k = 0.2328 0.2328-0.0000 ( 1909 PWs) bands (ev): -8.1804 -8.1803 -5.2743 -5.2742 -5.1760 -5.1749 -4.4280 -4.4261 2.0123 2.0141 2.2717 2.2721 3.1661 3.1664 3.5978 3.5992 4.9835 4.9864 5.1497 5.1505 5.2520 5.2555 5.9422 5.9424 6.2362 6.2363 6.7331 6.7345 7.8748 7.8766 8.9332 8.9332 15.0423 15.0443 15.2064 15.2066 15.3505 15.3513 17.4888 17.4922 k = 0.2241 0.2241-0.0000 ( 1905 PWs) bands (ev): -8.2328 -8.2327 -5.2335 -5.2334 -5.1388 -5.1378 -4.4211 -4.4193 1.9669 1.9685 2.2378 2.2382 3.2509 3.2516 3.5789 3.5799 4.9907 4.9941 5.1815 5.1821 5.2040 5.2079 5.9287 5.9293 6.2060 6.2060 6.8353 6.8360 7.9523 7.9540 8.9489 8.9490 14.9574 14.9595 15.0790 15.0792 15.2202 15.2210 17.4356 17.4389 k = 0.2155 0.2155-0.0000 ( 1909 PWs) bands (ev): -8.2834 -8.2833 -5.1923 -5.1922 -5.1014 -5.1003 -4.4159 -4.4140 1.9211 1.9225 2.2003 2.2007 3.3362 3.3375 3.5606 3.5611 4.9962 5.0001 5.1627 5.1671 5.2128 5.2133 5.9111 5.9122 6.1774 6.1774 6.9464 6.9465 8.0285 8.0302 8.9636 8.9636 14.8714 14.8736 14.9544 14.9547 15.0932 15.0942 17.3824 17.3856 k = 0.2069 0.2069-0.0000 ( 1913 PWs) bands (ev): -8.3322 -8.3321 -5.1508 -5.1507 -5.0638 -5.0628 -4.4121 -4.4104 1.8753 1.8766 2.1593 2.1598 3.4129 3.4152 3.5510 3.5516 4.9995 5.0040 5.1286 5.1335 5.2437 5.2440 5.8926 5.8940 6.1505 6.1505 7.0628 7.0630 8.1034 8.1051 8.9771 8.9772 14.7838 14.7860 14.8330 14.8333 14.9704 14.9714 17.3293 17.3323 k = 0.1983 0.1983-0.0000 ( 1917 PWs) bands (ev): -8.3792 -8.3791 -5.1092 -5.1091 -5.0262 -5.0252 -4.4098 -4.4080 1.8298 1.8310 2.1152 2.1156 3.4487 3.4517 3.5822 3.5836 4.9998 5.0046 5.1025 5.1079 5.2744 5.2746 5.8750 5.8767 6.1252 6.1252 7.1824 7.1829 8.1765 8.1782 8.9896 8.9897 14.6941 14.6963 14.7149 14.7152 14.8523 14.8534 17.2762 17.2791 k = 0.1897 0.1897-0.0000 ( 1913 PWs) bands (ev): -8.4243 -8.4243 -5.0674 -5.0674 -4.9887 -4.9877 -4.4086 -4.4069 1.7849 1.7860 2.0681 2.0685 3.4375 3.4399 3.6614 3.6623 4.9964 5.0012 5.0852 5.0905 5.3051 5.3051 5.8595 5.8613 6.1017 6.1017 7.3040 7.3047 8.2479 8.2495 9.0012 9.0012 14.5999 14.6005 14.6021 14.6039 14.7398 14.7409 17.2231 17.2259 k = 0.1810 0.1810-0.0000 ( 1913 PWs) bands (ev): -8.4676 -8.4675 -5.0258 -5.0257 -4.9515 -4.9504 -4.4085 -4.4069 1.7407 1.7417 2.0184 2.0188 3.4110 3.4129 3.7550 3.7555 4.9899 4.9940 5.0758 5.0805 5.3356 5.3357 5.8464 5.8484 6.0798 6.0799 7.4264 7.4272 8.3172 8.3187 9.0117 9.0118 14.4890 14.4894 14.5066 14.5085 14.6334 14.6343 17.1701 17.1727 k = 0.1724 0.1724-0.0000 ( 1909 PWs) bands (ev): -8.5089 -8.5089 -4.9844 -4.9843 -4.9145 -4.9135 -4.4093 -4.4078 1.6974 1.6983 1.9667 1.9671 3.3793 3.3808 3.8526 3.8529 4.9822 4.9854 5.0719 5.0757 5.3662 5.3665 5.8362 5.8382 6.0597 6.0598 7.5487 7.5496 8.3842 8.3857 9.0213 9.0214 14.3817 14.3821 14.4091 14.4107 14.5326 14.5333 17.1172 17.1196 k = 0.1638 0.1638-0.0000 ( 1913 PWs) bands (ev): -8.5484 -8.5484 -4.9433 -4.9433 -4.8781 -4.8771 -4.4110 -4.4095 1.6552 1.6560 1.9132 1.9136 3.3449 3.3462 3.9514 3.9516 4.9751 4.9776 5.0708 5.0738 5.3970 5.3974 5.8289 5.8309 6.0412 6.0413 7.6700 7.6710 8.4489 8.4504 9.0301 9.0301 14.2783 14.2787 14.3106 14.3119 14.4365 14.4368 17.0643 17.0665 k = 0.1552 0.1552-0.0000 ( 1915 PWs) bands (ev): -8.5859 -8.5859 -4.9028 -4.9027 -4.8422 -4.8412 -4.4133 -4.4119 1.6140 1.6147 1.8587 1.8591 3.3091 3.3101 4.0500 4.0502 4.9699 4.9717 5.0709 5.0733 5.4280 5.4285 5.8243 5.8262 6.0242 6.0244 7.7900 7.7910 8.5111 8.5125 9.0380 9.0380 14.1790 14.1794 14.2127 14.2137 14.3436 14.3437 17.0115 17.0135 k = 0.1466 0.1466-0.0000 ( 1911 PWs) bands (ev): -8.6215 -8.6215 -4.8630 -4.8629 -4.8071 -4.8061 -4.4161 -4.4148 1.5741 1.5748 1.8034 1.8038 3.2724 3.2733 4.1476 4.1477 4.9670 4.9684 5.0714 5.0733 5.4593 5.4600 5.8223 5.8242 6.0089 6.0091 7.9080 7.9090 8.5707 8.5720 9.0450 9.0451 14.0839 14.0843 14.1168 14.1176 14.2529 14.2530 16.9588 16.9606 k = 0.1379 0.1379-0.0000 ( 1909 PWs) bands (ev): -8.6552 -8.6551 -4.8240 -4.8239 -4.7728 -4.7719 -4.4194 -4.4181 1.5356 1.5362 1.7480 1.7484 3.2354 3.2361 4.2432 4.2434 4.9665 4.9675 5.0718 5.0734 5.4911 5.4919 5.8226 5.8245 5.9951 5.9953 8.0233 8.0243 8.6275 8.6287 9.0514 9.0514 13.9932 13.9936 14.0239 14.0245 14.1639 14.1641 16.9064 16.9080 k = 0.1293 0.1293-0.0000 ( 1905 PWs) bands (ev): -8.6868 -8.6868 -4.7860 -4.7860 -4.7396 -4.7388 -4.4230 -4.4218 1.4986 1.4992 1.6930 1.6934 3.1985 3.1992 4.3363 4.3364 4.9681 4.9689 5.0720 5.0733 5.5232 5.5241 5.8249 5.8268 5.9826 5.9828 8.1354 8.1364 8.6814 8.6825 9.0570 9.0571 13.9071 13.9075 13.9348 13.9353 14.0764 14.0767 16.8543 16.8557 k = 0.1207 0.1207-0.0000 ( 1905 PWs) bands (ev): -8.7165 -8.7165 -4.7493 -4.7492 -4.7077 -4.7068 -4.4268 -4.4256 1.4632 1.4637 1.6388 1.6392 3.1623 3.1628 4.4258 4.4259 4.9718 4.9723 5.0719 5.0729 5.5558 5.5569 5.8290 5.8308 5.9715 5.9718 8.2439 8.2449 8.7322 8.7333 9.0620 9.0620 13.8257 13.8261 13.8501 13.8504 13.9905 13.9908 16.8028 16.8040 k = 0.1121 0.1121-0.0000 ( 1905 PWs) bands (ev): -8.7442 -8.7441 -4.7139 -4.7139 -4.6770 -4.6762 -4.4307 -4.4297 1.4296 1.4300 1.5860 1.5864 3.1270 3.1274 4.5111 4.5113 4.9771 4.9775 5.0713 5.0722 5.5889 5.5900 5.8345 5.8362 5.9617 5.9619 8.3482 8.3491 8.7800 8.7810 9.0663 9.0664 13.7492 13.7496 13.7701 13.7704 13.9064 13.9068 16.7520 16.7530 k = 0.1034 0.1034-0.0000 ( 1905 PWs) bands (ev): -8.7698 -8.7698 -4.6802 -4.6801 -4.6478 -4.6471 -4.4347 -4.4337 1.3977 1.3981 1.5351 1.5354 3.0930 3.0933 4.5915 4.5918 4.9837 4.9840 5.0705 5.0712 5.6223 5.6235 5.8410 5.8426 5.9529 5.9531 8.4476 8.4485 8.8245 8.8255 9.0701 9.0701 13.6776 13.6780 13.6952 13.6954 13.8246 13.8250 16.7023 16.7032 k = 0.0948 0.0948-0.0000 ( 1905 PWs) bands (ev): -8.7935 -8.7935 -4.6482 -4.6482 -4.6203 -4.6196 -4.4386 -4.4377 1.3679 1.3682 1.4864 1.4866 3.0607 3.0610 4.6665 4.6668 4.9913 4.9915 5.0693 5.0699 5.6560 5.6573 5.8484 5.8499 5.9452 5.9455 8.5418 8.5426 8.8658 8.8666 9.0734 9.0734 13.6113 13.6116 13.6257 13.6258 13.7455 13.7459 16.6541 16.6548 k = 0.0862 0.0862-0.0000 ( 1905 PWs) bands (ev): -8.8151 -8.8151 -4.6182 -4.6182 -4.5946 -4.5939 -4.4425 -4.4416 1.3401 1.3404 1.4404 1.4406 3.0303 3.0305 4.7354 4.7357 4.9995 4.9996 5.0680 5.0685 5.6897 5.6910 5.8562 5.8577 5.9385 5.9387 8.6301 8.6308 8.9037 8.9044 9.0762 9.0762 13.5502 13.5505 13.5617 13.5618 13.6698 13.6703 16.6077 16.6082 k = 0.0776 0.0776-0.0000 ( 1909 PWs) bands (ev): -8.8347 -8.8347 -4.5904 -4.5904 -4.5708 -4.5702 -4.4461 -4.4454 1.3145 1.3148 1.3974 1.3977 3.0021 3.0022 4.7980 4.7983 5.0081 5.0081 5.0665 5.0669 5.7232 5.7245 5.8643 5.8656 5.9326 5.9329 8.7120 8.7127 8.9377 8.9384 9.0784 9.0785 13.4945 13.4947 13.5035 13.5036 13.5982 13.5986 16.5636 16.5640 k = 0.0690 0.0690-0.0000 ( 1907 PWs) bands (ev): -8.8522 -8.8522 -4.5649 -4.5649 -4.5491 -4.5486 -4.4495 -4.4489 1.2913 1.2915 1.3580 1.3582 2.9763 2.9764 4.8537 4.8540 5.0166 5.0167 5.0650 5.0653 5.7559 5.7571 5.8724 5.8736 5.9276 5.9278 8.7870 8.7876 8.9686 8.9692 9.0805 9.0805 13.4443 13.4445 13.4512 13.4513 13.5314 13.5318 16.5223 16.5226 k = 0.0603 0.0603-0.0000 ( 1909 PWs) bands (ev): -8.8677 -8.8677 -4.5420 -4.5420 -4.5296 -4.5291 -4.4526 -4.4521 1.2704 1.2706 1.3223 1.3225 2.9531 2.9532 4.9024 4.9027 5.0249 5.0249 5.0634 5.0637 5.7872 5.7883 5.8801 5.8812 5.9232 5.9235 8.8546 8.8551 8.9959 8.9965 9.0822 9.0823 13.3997 13.3999 13.4050 13.4051 13.4701 13.4704 16.4843 16.4845 k = 0.0517 0.0517-0.0000 ( 1909 PWs) bands (ev): -8.8812 -8.8812 -4.5217 -4.5217 -4.5124 -4.5120 -4.4554 -4.4549 1.2521 1.2523 1.2908 1.2909 2.9327 2.9327 4.9443 4.9445 5.0326 5.0327 5.0619 5.0622 5.8164 5.8175 5.8873 5.8882 5.9196 5.9198 8.9142 8.9146 9.0197 9.0201 9.0838 9.0838 13.3608 13.3610 13.3649 13.3650 13.4152 13.4154 16.4501 16.4502 k = 0.0431 0.0431-0.0000 ( 1909 PWs) bands (ev): -8.8925 -8.8925 -4.5043 -4.5043 -4.4976 -4.4973 -4.4578 -4.4574 1.2365 1.2366 1.2636 1.2637 2.9151 2.9152 4.9792 4.9795 5.0395 5.0396 5.0606 5.0608 5.8429 5.8438 5.8937 5.8946 5.9166 5.9168 8.9653 8.9656 9.0398 9.0402 9.0852 9.0852 13.3277 13.3278 13.3310 13.3311 13.3672 13.3675 16.4202 16.4203 k = 0.0345 0.0345-0.0000 ( 1917 PWs) bands (ev): -8.9019 -8.9019 -4.4900 -4.4899 -4.4853 -4.4851 -4.4598 -4.4595 1.2235 1.2236 1.2411 1.2412 2.9006 2.9007 5.0075 5.0077 5.0455 5.0456 5.0595 5.0596 5.8659 5.8666 5.8993 5.9000 5.9142 5.9143 9.0073 9.0076 9.0561 9.0564 9.0863 9.0864 13.3004 13.3004 13.3033 13.3034 13.3270 13.3272 16.3951 16.3951 k = 0.0259 0.0259-0.0000 ( 1921 PWs) bands (ev): -8.9091 -8.9091 -4.4788 -4.4788 -4.4756 -4.4755 -4.4614 -4.4611 1.2134 1.2135 1.2233 1.2234 2.8893 2.8893 5.0291 5.0293 5.0503 5.0504 5.0587 5.0588 5.8846 5.8851 5.9038 5.9043 5.9123 5.9125 9.0394 9.0396 9.0693 9.0695 9.0878 9.0878 13.2790 13.2790 13.2818 13.2819 13.2951 13.2952 16.3750 16.3751 k = 0.0172 0.0172-0.0000 ( 1929 PWs) bands (ev): -8.9143 -8.9143 -4.4710 -4.4710 -4.4684 -4.4684 -4.4624 -4.4622 1.2061 1.2061 1.2105 1.2106 2.8811 2.8811 5.0442 5.0443 5.0539 5.0539 5.0583 5.0583 5.8984 5.8988 5.9071 5.9075 5.9111 5.9112 9.0602 9.0603 9.0801 9.0802 9.0896 9.0896 13.2635 13.2635 13.2664 13.2665 13.2721 13.2722 16.3605 16.3605 k = 0.0086 0.0086-0.0000 ( 1935 PWs) bands (ev): -8.9174 -8.9174 -4.4668 -4.4667 -4.4640 -4.4640 -4.4627 -4.4626 1.2017 1.2017 1.2028 1.2028 2.8762 2.8762 5.0521 5.0521 5.0567 5.0568 5.0584 5.0584 5.9067 5.9068 5.9092 5.9094 5.9105 5.9106 9.0697 9.0697 9.0887 9.0887 9.0914 9.0915 13.2539 13.2539 13.2572 13.2573 13.2585 13.2585 16.3517 16.3517 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -8.9185 -8.9185 -4.4656 -4.4656 -4.4625 -4.4625 -4.4625 -4.4625 1.2002 1.2002 1.2002 1.2002 2.8745 2.8745 5.0537 5.0537 5.0586 5.0586 5.0586 5.0586 5.9087 5.9087 5.9106 5.9106 5.9106 5.9106 9.0722 9.0722 9.0923 9.0923 9.0923 9.0923 13.2504 13.2504 13.2542 13.2542 13.2542 13.2542 16.3487 16.3487 k = 0.0000 0.0000 0.0000 ( 1935 PWs) bands (ev): -8.9185 -8.9185 -4.4656 -4.4656 -4.4625 -4.4625 -4.4625 -4.4625 1.2002 1.2002 1.2002 1.2002 2.8745 2.8745 5.0537 5.0537 5.0586 5.0586 5.0586 5.0586 5.9087 5.9087 5.9106 5.9106 5.9106 5.9106 9.0722 9.0722 9.0923 9.0923 9.0923 9.0923 13.2504 13.2504 13.2542 13.2542 13.2542 13.2542 16.3487 16.3487 k = 0.0070 0.0070 0.0070 ( 1935 PWs) bands (ev): -8.9174 -8.9174 -4.4666 -4.4666 -4.4635 -4.4635 -4.4633 -4.4633 1.2023 1.2023 1.2023 1.2023 2.8762 2.8762 5.0522 5.0522 5.0563 5.0564 5.0588 5.0588 5.9065 5.9065 5.9096 5.9096 5.9105 5.9106 9.0696 9.0696 9.0887 9.0887 9.0916 9.0916 13.2540 13.2540 13.2578 13.2578 13.2578 13.2578 16.3517 16.3517 k = 0.0141 0.0141 0.0141 ( 1932 PWs) bands (ev): -8.9143 -8.9143 -4.4694 -4.4694 -4.4666 -4.4665 -4.4658 -4.4658 1.2083 1.2083 1.2083 1.2084 2.8811 2.8811 5.0459 5.0459 5.0494 5.0496 5.0610 5.0610 5.8973 5.8973 5.9092 5.9092 5.9104 5.9106 9.0588 9.0588 9.0813 9.0813 9.0896 9.0896 13.2648 13.2648 13.2685 13.2686 13.2687 13.2687 16.3605 16.3605 k = 0.0211 0.0211 0.0211 ( 1920 PWs) bands (ev): -8.9091 -8.9091 -4.4743 -4.4743 -4.4716 -4.4716 -4.4697 -4.4697 1.2183 1.2184 1.2184 1.2185 2.8893 2.8893 5.0347 5.0347 5.0379 5.0382 5.0654 5.0654 5.8816 5.8816 5.9091 5.9091 5.9104 5.9106 9.0349 9.0349 9.0754 9.0754 9.0865 9.0865 13.2828 13.2828 13.2863 13.2865 13.2868 13.2868 16.3751 16.3751 k = 0.0282 0.0282 0.0282 ( 1917 PWs) bands (ev): -8.9019 -8.9019 -4.4812 -4.4812 -4.4787 -4.4787 -4.4751 -4.4751 1.2323 1.2324 1.2324 1.2325 2.9006 2.9006 5.0189 5.0189 5.0219 5.0222 5.0718 5.0718 5.8600 5.8600 5.9094 5.9094 5.9107 5.9109 8.9983 8.9983 9.0697 9.0697 9.0819 9.0819 13.3077 13.3077 13.3109 13.3112 13.3120 13.3120 16.3950 16.3950 k = 0.0352 0.0352 0.0352 ( 1911 PWs) bands (ev): -8.8925 -8.8925 -4.4901 -4.4901 -4.4877 -4.4877 -4.4819 -4.4819 1.2501 1.2502 1.2502 1.2503 2.9150 2.9150 4.9984 4.9984 5.0013 5.0017 5.0801 5.0801 5.8326 5.8326 5.9101 5.9101 5.9115 5.9118 8.9509 8.9509 9.0635 9.0635 9.0761 9.0761 13.3392 13.3392 13.3422 13.3425 13.3441 13.3441 16.4201 16.4201 k = 0.0423 0.0423 0.0423 ( 1911 PWs) bands (ev): -8.8811 -8.8811 -4.5009 -4.5009 -4.4986 -4.4985 -4.4900 -4.4900 1.2715 1.2716 1.2716 1.2718 2.9322 2.9322 4.9735 4.9735 4.9761 4.9766 5.0901 5.0901 5.7997 5.7997 5.9116 5.9116 5.9131 5.9134 8.8932 8.8932 9.0559 9.0559 9.0688 9.0689 13.3771 13.3771 13.3798 13.3802 13.3829 13.3829 16.4498 16.4498 k = 0.0493 0.0493 0.0493 ( 1911 PWs) bands (ev): -8.8677 -8.8677 -4.5135 -4.5135 -4.5113 -4.5112 -4.4994 -4.4994 1.2965 1.2966 1.2966 1.2968 2.9523 2.9523 4.9441 4.9441 4.9466 4.9471 5.1021 5.1021 5.7618 5.7618 5.9141 5.9141 5.9158 5.9161 8.8259 8.8259 9.0472 9.0472 9.0603 9.0603 13.4209 13.4209 13.4235 13.4239 13.4283 13.4283 16.4837 16.4837 k = 0.0563 0.0563 0.0563 ( 1899 PWs) bands (ev): -8.8522 -8.8522 -4.5279 -4.5279 -4.5257 -4.5256 -4.5102 -4.5102 1.3247 1.3249 1.3249 1.3251 2.9748 2.9748 4.9105 4.9105 4.9128 4.9134 5.1158 5.1158 5.7194 5.7194 5.9180 5.9180 5.9197 5.9201 8.7495 8.7495 9.0376 9.0376 9.0508 9.0508 13.4704 13.4704 13.4727 13.4733 13.4799 13.4799 16.5212 16.5212 k = 0.0634 0.0634 0.0634 ( 1899 PWs) bands (ev): -8.8346 -8.8346 -4.5439 -4.5439 -4.5418 -4.5417 -4.5222 -4.5222 1.3560 1.3562 1.3562 1.3564 2.9996 2.9996 4.8729 4.8729 4.8750 4.8757 5.1313 5.1313 5.6728 5.6728 5.9233 5.9233 5.9252 5.9256 8.6645 8.6645 9.0264 9.0264 9.0397 9.0397 13.5250 13.5250 13.5272 13.5278 13.5374 13.5374 16.5617 16.5617 k = 0.0704 0.0704 0.0704 ( 1899 PWs) bands (ev): -8.8150 -8.8150 -4.5615 -4.5615 -4.5594 -4.5593 -4.5354 -4.5354 1.3901 1.3903 1.3903 1.3906 3.0264 3.0264 4.8317 4.8317 4.8337 4.8344 5.1486 5.1486 5.6227 5.6227 5.9303 5.9303 5.9324 5.9328 8.5714 8.5714 9.0140 9.0140 9.0273 9.0274 13.5844 13.5844 13.5864 13.5871 13.6006 13.6006 16.6046 16.6046 k = 0.0775 0.0775 0.0775 ( 1905 PWs) bands (ev): -8.7934 -8.7934 -4.5805 -4.5805 -4.5784 -4.5783 -4.5497 -4.5497 1.4267 1.4269 1.4269 1.4272 3.0548 3.0548 4.7872 4.7872 4.7891 4.7899 5.1677 5.1677 5.5696 5.5696 5.9392 5.9392 5.9413 5.9417 8.4707 8.4707 9.0004 9.0004 9.0137 9.0138 13.6481 13.6481 13.6500 13.6508 13.6690 13.6690 16.6492 16.6492 k = 0.0845 0.0845 0.0845 ( 1905 PWs) bands (ev): -8.7697 -8.7697 -4.6008 -4.6008 -4.5988 -4.5987 -4.5651 -4.5651 1.4654 1.4656 1.4656 1.4659 3.0844 3.0844 4.7402 4.7402 4.7419 4.7427 5.1885 5.1885 5.5143 5.5143 5.9499 5.9499 5.9521 5.9525 8.3630 8.3630 8.9856 8.9856 8.9990 8.9990 13.7156 13.7156 13.7174 13.7183 13.7424 13.7424 16.6951 16.6951 k = 0.0915 0.0915 0.0915 ( 1902 PWs) bands (ev): -8.7440 -8.7440 -4.6224 -4.6224 -4.6204 -4.6203 -4.5815 -4.5815 1.5058 1.5060 1.5060 1.5064 3.1147 3.1147 4.6911 4.6911 4.6926 4.6935 5.2111 5.2111 5.4575 5.4575 5.9625 5.9625 5.9649 5.9653 8.2489 8.2489 8.9696 8.9696 8.9831 8.9832 13.7866 13.7866 13.7883 13.7892 13.8203 13.8203 16.7415 16.7415 k = 0.0986 0.0986 0.0986 ( 1902 PWs) bands (ev): -8.7163 -8.7163 -4.6451 -4.6451 -4.6431 -4.6430 -4.5988 -4.5988 1.5475 1.5477 1.5477 1.5481 3.1450 3.1450 4.6406 4.6406 4.6420 4.6429 5.2354 5.2354 5.3999 5.3999 5.9771 5.9771 5.9796 5.9800 8.1288 8.1288 8.9526 8.9526 8.9661 8.9662 13.8607 13.8607 13.8622 13.8632 13.9024 13.9024 16.7880 16.7880 k = 0.1056 0.1056 0.1056 ( 1899 PWs) bands (ev): -8.6867 -8.6867 -4.6688 -4.6688 -4.6668 -4.6667 -4.6169 -4.6169 1.5899 1.5901 1.5901 1.5906 3.1748 3.1748 4.5894 4.5894 4.5907 4.5916 5.2614 5.2614 5.3425 5.3425 5.9937 5.9937 5.9962 5.9966 8.0035 8.0035 8.9346 8.9346 8.9482 8.9482 13.9373 13.9373 13.9388 13.9398 13.9883 13.9883 16.8341 16.8341 k = 0.1127 0.1127 0.1127 ( 1899 PWs) bands (ev): -8.6550 -8.6550 -4.6935 -4.6935 -4.6915 -4.6913 -4.6358 -4.6358 1.6326 1.6327 1.6327 1.6333 3.2033 3.2033 4.5384 4.5384 4.5396 4.5406 5.2857 5.2857 5.2896 5.2896 6.0121 6.0121 6.0147 6.0151 7.8733 7.8733 8.9156 8.9156 8.9292 8.9293 14.0161 14.0161 14.0175 14.0186 14.0778 14.0778 16.8794 16.8794 k = 0.1197 0.1197 0.1197 ( 1911 PWs) bands (ev): -8.6214 -8.6214 -4.7189 -4.7189 -4.7169 -4.7167 -4.6553 -4.6553 1.6747 1.6749 1.6749 1.6755 3.2294 3.2294 4.4884 4.4884 4.4895 4.4905 5.2318 5.2318 5.3184 5.3184 6.0323 6.0323 6.0350 6.0354 7.7389 7.7389 8.8957 8.8957 8.9093 8.9094 14.0969 14.0969 14.0981 14.0993 14.1704 14.1704 16.9234 16.9234 k = 0.1268 0.1268 0.1268 ( 1917 PWs) bands (ev): -8.5858 -8.5858 -4.7449 -4.7449 -4.7430 -4.7428 -4.6755 -4.6755 1.7156 1.7158 1.7158 1.7165 3.2523 3.2523 4.4403 4.4403 4.4413 4.4423 5.1806 5.1806 5.3494 5.3494 6.0543 6.0543 6.0571 6.0574 7.6009 7.6009 8.8750 8.8750 8.8886 8.8887 14.1792 14.1792 14.1803 14.1816 14.2659 14.2659 16.9660 16.9660 k = 0.1338 0.1338 0.1338 ( 1917 PWs) bands (ev): -8.5483 -8.5483 -4.7716 -4.7716 -4.7696 -4.7695 -4.6962 -4.6962 1.7547 1.7548 1.7548 1.7556 3.2710 3.2710 4.3953 4.3953 4.3962 4.3972 5.1338 5.1338 5.3819 5.3819 6.0781 6.0781 6.0810 6.0812 7.4597 7.4597 8.8535 8.8535 8.8671 8.8672 14.2628 14.2628 14.2639 14.2651 14.3639 14.3639 17.0070 17.0070 k = 0.1408 0.1408 0.1408 ( 1917 PWs) bands (ev): -8.5088 -8.5088 -4.7987 -4.7987 -4.7968 -4.7966 -4.7173 -4.7173 1.7910 1.7911 1.7911 1.7919 3.2841 3.2841 4.3541 4.3541 4.3550 4.3560 5.0923 5.0923 5.4160 5.4160 6.1035 6.1035 6.1064 6.1067 7.3163 7.3163 8.8313 8.8313 8.8450 8.8451 14.3474 14.3474 14.3484 14.3498 14.4642 14.4642 17.0462 17.0462 k = 0.1479 0.1479 0.1479 ( 1917 PWs) bands (ev): -8.4675 -8.4675 -4.8262 -4.8262 -4.8243 -4.8241 -4.7388 -4.7388 1.8236 1.8237 1.8237 1.8246 3.2907 3.2907 4.3181 4.3181 4.3188 4.3198 5.0571 5.0571 5.4517 5.4517 6.1306 6.1306 6.1335 6.1337 7.1709 7.1709 8.8084 8.8084 8.8221 8.8222 14.4330 14.4330 14.4339 14.4352 14.5664 14.5664 17.0836 17.0836 k = 0.1549 0.1549 0.1549 ( 1917 PWs) bands (ev): -8.4243 -8.4243 -4.8540 -4.8540 -4.8521 -4.8519 -4.7606 -4.7606 1.8517 1.8517 1.8517 1.8527 3.2898 3.2898 4.2881 4.2881 4.2887 4.2898 5.0290 5.0290 5.4888 5.4888 6.1592 6.1592 6.1621 6.1623 7.0243 7.0243 8.7850 8.7850 8.7988 8.7989 14.5192 14.5192 14.5200 14.5214 14.6703 14.6703 17.1193 17.1193 k = 0.1620 0.1620 0.1620 ( 1905 PWs) bands (ev): -8.3792 -8.3792 -4.8820 -4.8820 -4.8801 -4.8799 -4.7826 -4.7826 1.8744 1.8744 1.8744 1.8754 3.2805 3.2805 4.2652 4.2652 4.2658 4.2668 5.0084 5.0084 5.5275 5.5275 6.1893 6.1893 6.1923 6.1925 6.8776 6.8776 8.7611 8.7611 8.7749 8.7750 14.6060 14.6060 14.6068 14.6082 14.7756 14.7756 17.1533 17.1533 k = 0.1690 0.1690 0.1690 ( 1905 PWs) bands (ev): -8.3323 -8.3323 -4.9101 -4.9101 -4.9082 -4.9080 -4.8047 -4.8047 1.8907 1.8907 1.8908 1.8919 3.2624 3.2624 4.2504 4.2504 4.2509 4.2519 4.9949 4.9949 5.5676 5.5676 6.2207 6.2207 6.2237 6.2239 6.7317 6.7317 8.7368 8.7368 8.7506 8.7507 14.6932 14.6932 14.6939 14.6954 14.8820 14.8820 17.1858 17.1858 k = 0.1761 0.1761 0.1761 ( 1911 PWs) bands (ev): -8.2836 -8.2836 -4.9382 -4.9382 -4.9363 -4.9361 -4.8270 -4.8270 1.9001 1.9001 1.9003 1.9014 3.2353 3.2353 4.2444 4.2444 4.2448 4.2458 4.9879 4.9879 5.6090 5.6090 6.2535 6.2535 6.2565 6.2566 6.5881 6.5881 8.7122 8.7122 8.7260 8.7261 14.7808 14.7808 14.7815 14.7830 14.9892 14.9892 17.2169 17.2169 k = 0.1831 0.1831 0.1831 ( 1917 PWs) bands (ev): -8.2331 -8.2331 -4.9663 -4.9663 -4.9644 -4.9642 -4.8492 -4.8492 1.9021 1.9021 1.9024 1.9034 3.1996 3.1996 4.2479 4.2479 4.2481 4.2492 4.9855 4.9855 5.6517 5.6517 6.2874 6.2874 6.2905 6.2905 6.4485 6.4485 8.6873 8.6873 8.7011 8.7012 14.8688 14.8688 14.8693 14.8709 15.0970 15.0970 17.2471 17.2471 k = 0.1901 0.1901 0.1901 ( 1917 PWs) bands (ev): -8.1808 -8.1808 -4.9942 -4.9942 -4.9924 -4.9922 -4.8715 -4.8715 1.8964 1.8964 1.8968 1.8978 3.1556 3.1556 4.2611 4.2611 4.2613 4.2623 4.9849 4.9849 5.6957 5.6957 6.3149 6.3149 6.3233 6.3233 6.3257 6.3257 8.6622 8.6622 8.6760 8.6761 14.9570 14.9570 14.9574 14.9590 15.2050 15.2050 17.2764 17.2764 k = 0.1972 0.1972 0.1972 ( 1917 PWs) bands (ev): -8.1269 -8.1269 -5.0220 -5.0220 -5.0201 -5.0199 -4.8936 -4.8936 1.8830 1.8830 1.8834 1.8845 3.1043 3.1043 4.2842 4.2842 4.2844 4.2853 4.9822 4.9822 5.7410 5.7410 6.1930 6.1930 6.3590 6.3590 6.3620 6.3620 8.6370 8.6370 8.6508 8.6510 15.0454 15.0454 15.0458 15.0474 15.3129 15.3129 17.3053 17.3053 k = 0.2042 0.2042 0.2042 ( 1911 PWs) bands (ev): -8.0712 -8.0712 -5.0495 -5.0495 -5.0477 -5.0475 -4.9156 -4.9156 1.8621 1.8621 1.8626 1.8636 3.0464 3.0464 4.3171 4.3171 4.3172 4.3180 4.9718 4.9718 5.7875 5.7875 6.0857 6.0857 6.3963 6.3963 6.3993 6.3993 8.6118 8.6118 8.6257 8.6258 15.1341 15.1341 15.1344 15.1360 15.4205 15.4205 17.3341 17.3341 k = 0.2113 0.2113 0.2113 ( 1911 PWs) bands (ev): -8.0139 -8.0139 -5.0767 -5.0767 -5.0749 -5.0747 -4.9373 -4.9373 1.8341 1.8341 1.8347 1.8357 2.9829 2.9829 4.3593 4.3593 4.3593 4.3601 4.9473 4.9473 5.8351 5.8351 5.9992 5.9992 6.4346 6.4346 6.4376 6.4376 8.5866 8.5866 8.6005 8.6006 15.2229 15.2229 15.2232 15.2248 15.5272 15.5272 17.3633 17.3633 k = 0.2183 0.2183 0.2183 ( 1905 PWs) bands (ev): -7.9550 -7.9550 -5.1036 -5.1036 -5.1017 -5.1015 -4.9588 -4.9588 1.7996 1.7996 1.8002 1.8012 2.9147 2.9147 4.4103 4.4104 4.4104 4.4111 4.9025 4.9025 5.8838 5.8838 5.9392 5.9392 6.4738 6.4738 6.4767 6.4768 8.5614 8.5614 8.5754 8.5755 15.3120 15.3120 15.3122 15.3139 15.6327 15.6327 17.3933 17.3933 k = 0.2254 0.2254 0.2254 ( 1905 PWs) bands (ev): -7.8946 -7.8946 -5.1300 -5.1300 -5.1282 -5.1280 -4.9800 -4.9800 1.7592 1.7592 1.7600 1.7609 2.8425 2.8425 4.4694 4.4694 4.4694 4.4701 4.8340 4.8340 5.9083 5.9083 5.9335 5.9335 6.5138 6.5138 6.5167 6.5169 8.5365 8.5365 8.5504 8.5506 15.4012 15.4012 15.4013 15.4030 15.7365 15.7365 17.4247 17.4247 k = 0.2324 0.2324 0.2324 ( 1905 PWs) bands (ev): -7.8326 -7.8326 -5.1560 -5.1560 -5.1542 -5.1540 -5.0008 -5.0008 1.7138 1.7138 1.7146 1.7155 2.7672 2.7672 4.5359 4.5360 4.5360 4.5365 4.7425 4.7425 5.9055 5.9055 5.9841 5.9841 6.5545 6.5545 6.5574 6.5576 8.5118 8.5118 8.5257 8.5259 15.4906 15.4906 15.4907 15.4924 15.8380 15.8380 17.4580 17.4580 k = 0.2394 0.2394 0.2394 ( 1911 PWs) bands (ev): -7.7692 -7.7692 -5.1815 -5.1815 -5.1797 -5.1795 -5.0213 -5.0213 1.6640 1.6640 1.6649 1.6657 2.6894 2.6894 4.6090 4.6091 4.6091 4.6095 4.6320 4.6320 5.9262 5.9262 6.0355 6.0355 6.5958 6.5958 6.5986 6.5988 8.4873 8.4873 8.5013 8.5015 15.5802 15.5802 15.5802 15.5819 15.9366 15.9366 17.4939 17.4939 k = 0.2465 0.2465 0.2465 ( 1914 PWs) bands (ev): -7.7044 -7.7044 -5.2065 -5.2065 -5.2047 -5.2045 -5.0413 -5.0413 1.6105 1.6105 1.6115 1.6123 2.6096 2.6096 4.5073 4.5073 4.6880 4.6881 4.6881 4.6884 5.9653 5.9653 6.0878 6.0878 6.6377 6.6377 6.6404 6.6407 8.4633 8.4633 8.4773 8.4774 15.6698 15.6698 15.6698 15.6715 16.0317 16.0317 17.5331 17.5331 k = 0.2535 0.2535 0.2535 ( 1914 PWs) bands (ev): -7.6382 -7.6382 -5.2309 -5.2309 -5.2291 -5.2289 -5.0608 -5.0608 1.5541 1.5541 1.5552 1.5560 2.5283 2.5283 4.3726 4.3726 4.7722 4.7724 4.7724 4.7726 6.0182 6.0182 6.1408 6.1408 6.6800 6.6800 6.6827 6.6830 8.4397 8.4397 8.4537 8.4539 15.7594 15.7595 15.7595 15.7612 16.1226 16.1226 17.5763 17.5763 k = 0.2606 0.2606 0.2606 ( 1908 PWs) bands (ev): -7.5708 -7.5708 -5.2547 -5.2547 -5.2529 -5.2527 -5.0799 -5.0799 1.4954 1.4954 1.4966 1.4973 2.4460 2.4460 4.2314 4.2314 4.8611 4.8612 4.8612 4.8614 6.0812 6.0812 6.1944 6.1944 6.7227 6.7227 6.7253 6.7257 8.4166 8.4166 8.4307 8.4308 15.8491 15.8493 15.8493 15.8509 16.2085 16.2085 17.6244 17.6244 k = 0.2676 0.2676 0.2676 ( 1914 PWs) bands (ev): -7.5021 -7.5021 -5.2779 -5.2779 -5.2761 -5.2759 -5.0984 -5.0984 1.4349 1.4349 1.4361 1.4368 2.3629 2.3629 4.0859 4.0859 4.9538 4.9539 4.9539 4.9540 6.1517 6.1517 6.2486 6.2486 6.7655 6.7655 6.7681 6.7685 8.3941 8.3941 8.4082 8.4083 15.9388 15.9390 15.9390 15.9405 16.2887 16.2887 17.6780 17.6780 k = 0.2746 0.2746 0.2746 ( 1914 PWs) bands (ev): -7.4323 -7.4323 -5.3004 -5.3004 -5.2986 -5.2984 -5.1164 -5.1164 1.3732 1.3732 1.3745 1.3751 2.2793 2.2793 3.9379 3.9379 5.0498 5.0500 5.0500 5.0500 6.2279 6.2279 6.3032 6.3032 6.8085 6.8085 6.8110 6.8115 8.3723 8.3723 8.3864 8.3865 16.0283 16.0285 16.0285 16.0300 16.3626 16.3626 17.7378 17.7378 k = 0.2817 0.2817 0.2817 ( 1908 PWs) bands (ev): -7.3615 -7.3615 -5.3223 -5.3223 -5.3205 -5.3203 -5.1338 -5.1338 1.3107 1.3107 1.3120 1.3126 2.1956 2.1956 3.7888 3.7888 5.1488 5.1488 5.1489 5.1489 6.3085 6.3085 6.3582 6.3582 6.8515 6.8515 6.8540 6.8545 8.3512 8.3512 8.3653 8.3654 16.1175 16.1178 16.1178 16.1193 16.4298 16.4298 17.8043 17.8043 k = 0.2887 0.2887 0.2887 ( 1914 PWs) bands (ev): -7.2897 -7.2897 -5.3435 -5.3435 -5.3417 -5.3415 -5.1506 -5.1506 1.2477 1.2477 1.2491 1.2497 2.1118 2.1118 3.6394 3.6394 5.2500 5.2500 5.2502 5.2502 6.3920 6.3920 6.4135 6.4135 6.8943 6.8943 6.8967 6.8974 8.3309 8.3309 8.3450 8.3451 16.2063 16.2067 16.2067 16.2081 16.4899 16.4899 17.8777 17.8777 k = 0.2958 0.2958 0.2958 ( 1914 PWs) bands (ev): -7.2170 -7.2170 -5.3640 -5.3640 -5.3622 -5.3620 -5.1668 -5.1668 1.1847 1.1847 1.1861 1.1867 2.0281 2.0281 3.4907 3.4907 5.3531 5.3532 5.3534 5.3534 6.4685 6.4685 6.4783 6.4783 6.9369 6.9369 6.9393 6.9400 8.3115 8.3115 8.3255 8.3256 16.2946 16.2951 16.2951 16.2964 16.5429 16.5429 17.9581 17.9581 k = 0.3028 0.3028 0.3028 ( 1914 PWs) bands (ev): -7.1436 -7.1436 -5.3837 -5.3837 -5.3820 -5.3818 -5.1824 -5.1824 1.1220 1.1220 1.1234 1.1240 1.9446 1.9446 3.3432 3.3432 5.4578 5.4579 5.4581 5.4581 6.5242 6.5242 6.5658 6.5658 6.9791 6.9791 6.9814 6.9822 8.2930 8.2930 8.3070 8.3071 16.3821 16.3826 16.3826 16.3838 16.5890 16.5890 18.0453 18.0453 k = 0.3099 0.3099 0.3099 ( 1920 PWs) bands (ev): -7.0695 -7.0695 -5.4028 -5.4028 -5.4010 -5.4008 -5.1973 -5.1973 1.0598 1.0598 1.0613 1.0618 1.8614 1.8614 3.1975 3.1975 5.5635 5.5637 5.5639 5.5639 6.5796 6.5796 6.6545 6.6545 7.0207 7.0207 7.0230 7.0238 8.2755 8.2755 8.2895 8.2896 16.4686 16.4691 16.4691 16.4703 16.6286 16.6286 18.1389 18.1389 k = 0.3169 0.3169 0.3169 ( 1911 PWs) bands (ev): -6.9949 -6.9949 -5.4211 -5.4211 -5.4193 -5.4192 -5.2115 -5.2115 0.9984 0.9984 0.9999 1.0004 1.7785 1.7785 3.0542 3.0542 5.6700 5.6703 5.6705 5.6705 6.6348 6.6348 6.7439 6.7439 7.0617 7.0617 7.0640 7.0648 8.2591 8.2591 8.2731 8.2732 16.5537 16.5543 16.5543 16.5554 16.6622 16.6622 18.2385 18.2385 k = 0.3239 0.3239 0.3239 ( 1914 PWs) bands (ev): -6.9200 -6.9200 -5.4387 -5.4387 -5.4369 -5.4368 -5.2251 -5.2251 0.9380 0.9380 0.9396 0.9400 1.6958 1.6958 2.9138 2.9138 5.7768 5.7772 5.7773 5.7773 6.6897 6.6897 6.8334 6.8334 7.1018 7.1018 7.1040 7.1049 8.2440 8.2440 8.2579 8.2580 16.6371 16.6377 16.6377 16.6387 16.6902 16.6902 18.3433 18.3433 k = 0.3310 0.3310 0.3310 ( 1914 PWs) bands (ev): -6.8448 -6.8448 -5.4556 -5.4556 -5.4538 -5.4536 -5.2380 -5.2380 0.8788 0.8788 0.8804 0.8808 1.6133 1.6133 2.7769 2.7769 5.8836 5.8841 5.8842 5.8842 6.7441 6.7441 6.9227 6.9227 7.1408 7.1408 7.1430 7.1440 8.2301 8.2301 8.2440 8.2441 16.7133 16.7133 16.7182 16.7189 16.7189 16.7199 18.4528 18.4528 k = 0.3380 0.3380 0.3380 ( 1908 PWs) bands (ev): -6.7695 -6.7695 -5.4717 -5.4717 -5.4699 -5.4698 -5.2502 -5.2502 0.8210 0.8210 0.8227 0.8231 1.5311 1.5311 2.6440 2.6440 5.9901 5.9907 5.9909 5.9909 6.7979 6.7979 7.0115 7.0115 7.1786 7.1786 7.1808 7.1818 8.2176 8.2176 8.2314 8.2315 16.7321 16.7321 16.7966 16.7974 16.7974 16.7982 18.5665 18.5665 k = 0.3451 0.3451 0.3451 ( 1908 PWs) bands (ev): -6.6944 -6.6944 -5.4870 -5.4870 -5.4853 -5.4851 -5.2616 -5.2616 0.7648 0.7648 0.7664 0.7668 1.4490 1.4490 2.5155 2.5155 6.0959 6.0966 6.0967 6.0967 6.8510 6.8510 7.0992 7.0992 7.2151 7.2151 7.2172 7.2183 8.2065 8.2065 8.2203 8.2203 16.7472 16.7472 16.8715 16.8722 16.8722 16.8730 18.6834 18.6834 k = 0.3521 0.3521 0.3521 ( 1911 PWs) bands (ev): -6.6195 -6.6195 -5.5017 -5.5017 -5.4999 -5.4998 -5.2724 -5.2724 0.7102 0.7102 0.7119 0.7122 1.3668 1.3668 2.3920 2.3920 6.2006 6.2014 6.2015 6.2015 6.9033 6.9033 7.1855 7.1855 7.2501 7.2501 7.2521 7.2533 8.1970 8.1970 8.2106 8.2107 16.7589 16.7589 16.9418 16.9426 16.9426 16.9432 18.6738 18.6748 k = 0.3592 0.3592 0.3592 ( 1911 PWs) bands (ev): -6.5452 -6.5452 -5.5156 -5.5156 -5.5138 -5.5137 -5.2823 -5.2823 0.6574 0.6574 0.6591 0.6595 1.2846 1.2846 2.2738 2.2738 6.3040 6.3049 6.3050 6.3050 6.9545 6.9545 7.2689 7.2689 7.2849 7.2849 7.2854 7.2866 8.1890 8.1890 8.2025 8.2025 16.7677 16.7677 17.0065 17.0073 17.0073 17.0078 18.5942 18.5944 k = 0.3662 0.3662 0.3662 ( 1908 PWs) bands (ev): -6.4717 -6.4717 -5.5287 -5.5287 -5.5270 -5.5268 -5.2916 -5.2916 0.6066 0.6066 0.6083 0.6086 1.2023 1.2023 2.1615 2.1615 6.4057 6.4066 6.4068 6.4068 7.0047 7.0047 7.3133 7.3133 7.3167 7.3180 7.3549 7.3549 8.1827 8.1827 8.1960 8.1961 16.7741 16.7741 17.0641 17.0648 17.0648 17.0652 18.5114 18.5121 k = 0.3732 0.3732 0.3732 ( 1896 PWs) bands (ev): -6.3992 -6.3992 -5.5411 -5.5411 -5.5394 -5.5393 -5.3000 -5.3000 0.5578 0.5578 0.5596 0.5599 1.1200 1.1200 2.0554 2.0554 6.5054 6.5064 6.5065 6.5065 7.0535 7.0535 7.3430 7.3430 7.3462 7.3475 7.4357 7.4357 8.1782 8.1782 8.1913 8.1914 16.7784 16.7784 17.1128 17.1135 17.1135 17.1137 18.4314 18.4316 k = 0.3803 0.3803 0.3803 ( 1896 PWs) bands (ev): -6.3280 -6.3280 -5.5528 -5.5528 -5.5511 -5.5510 -5.3077 -5.3077 0.5112 0.5112 0.5130 0.5133 1.0376 1.0376 1.9558 1.9558 6.6025 6.6037 6.6038 6.6038 7.1009 7.1009 7.3703 7.3703 7.3734 7.3748 7.5142 7.5142 8.1752 8.1752 8.1881 8.1882 16.7808 16.7808 17.1505 17.1511 17.1511 17.1512 18.3593 18.3594 k = 0.3873 0.3873 0.3873 ( 1896 PWs) bands (ev): -6.2584 -6.2584 -5.5638 -5.5638 -5.5620 -5.5619 -5.3145 -5.3145 0.4668 0.4668 0.4686 0.4689 0.9554 0.9554 1.8630 1.8630 6.6969 6.6982 6.6983 6.6983 7.1466 7.1466 7.3952 7.3952 7.3985 7.4000 7.5901 7.5901 8.1738 8.1738 8.1865 8.1867 16.7817 16.7817 17.1752 17.1757 17.1757 17.1757 18.2986 18.2987 k = 0.3944 0.3944 0.3944 ( 1902 PWs) bands (ev): -6.1907 -6.1907 -5.5740 -5.5740 -5.5723 -5.5722 -5.3205 -5.3205 0.4247 0.4247 0.4265 0.4268 0.8738 0.8738 1.7770 1.7770 6.7881 6.7895 6.7896 6.7896 7.1906 7.1906 7.4179 7.4179 7.4214 7.4228 7.6630 7.6630 8.1741 8.1741 8.1865 8.1867 16.7813 16.7813 17.1853 17.1856 17.1857 17.1857 18.2519 18.2520 k = 0.4014 0.4014 0.4014 ( 1908 PWs) bands (ev): -6.1253 -6.1253 -5.5836 -5.5836 -5.5819 -5.5818 -5.3256 -5.3256 0.3850 0.3850 0.3868 0.3871 0.7931 0.7931 1.6978 1.6978 6.8757 6.8773 6.8773 6.8773 7.2327 7.2327 7.4382 7.4382 7.4419 7.4434 7.7326 7.7326 8.1759 8.1759 8.1880 8.1882 16.7798 16.7798 17.1803 17.1803 17.1805 17.1805 18.2193 18.2200 k = 0.4085 0.4085 0.4085 ( 1896 PWs) bands (ev): -6.0626 -6.0626 -5.5924 -5.5924 -5.5907 -5.5906 -5.3298 -5.3298 0.3477 0.3477 0.3497 0.3499 0.7139 0.7139 1.6254 1.6254 6.9596 6.9612 6.9613 6.9613 7.2727 7.2727 7.4563 7.4563 7.4603 7.4619 7.7989 7.7989 8.1791 8.1791 8.1908 8.1912 16.7775 16.7775 17.1610 17.1612 17.1613 17.1613 18.2010 18.2020 k = 0.4155 0.4155 0.4155 ( 1896 PWs) bands (ev): -6.0030 -6.0030 -5.6006 -5.6006 -5.5989 -5.5988 -5.3330 -5.3330 0.3130 0.3130 0.3150 0.3152 0.6367 0.6367 1.5597 1.5597 7.0392 7.0409 7.0409 7.0409 7.3105 7.3105 7.4722 7.4722 7.4764 7.4780 7.8615 7.8615 8.1834 8.1834 8.1948 8.1952 16.7745 16.7745 17.1300 17.1303 17.1303 17.1303 18.1941 18.1952 k = 0.4225 0.4225 0.4225 ( 1896 PWs) bands (ev): -5.9469 -5.9469 -5.6081 -5.6081 -5.6063 -5.6062 -5.3351 -5.3351 0.2809 0.2809 0.2828 0.2830 0.5623 0.5623 1.5002 1.5002 7.1141 7.1159 7.1160 7.1160 7.3458 7.3458 7.4860 7.4860 7.4905 7.4921 7.9200 7.9200 8.1887 8.1887 8.1998 8.2003 16.7711 16.7711 17.0905 17.0908 17.0908 17.0909 18.1951 18.1964 k = 0.4296 0.4296 0.4296 ( 1896 PWs) bands (ev): -5.8947 -5.8947 -5.6148 -5.6148 -5.6131 -5.6130 -5.3362 -5.3362 0.2514 0.2514 0.2534 0.2535 0.4914 0.4914 1.4469 1.4469 7.1840 7.1859 7.1859 7.1859 7.3787 7.3787 7.4979 7.4979 7.5026 7.5043 7.9743 7.9743 8.1947 8.1947 8.2055 8.2060 16.7673 16.7673 17.0457 17.0460 17.0460 17.0462 18.2013 18.2021 k = 0.4366 0.4366 0.4366 ( 1890 PWs) bands (ev): -5.8469 -5.8469 -5.6210 -5.6210 -5.6192 -5.6192 -5.3362 -5.3362 0.2245 0.2245 0.2265 0.2267 0.4246 0.4246 1.3995 1.3995 7.2485 7.2505 7.2505 7.2506 7.4089 7.4089 7.5080 7.5080 7.5129 7.5147 8.0242 8.0242 8.2012 8.2012 8.2117 8.2123 16.7634 16.7634 16.9987 16.9989 16.9989 16.9991 18.2089 18.2096 k = 0.4437 0.4437 0.4437 ( 1881 PWs) bands (ev): -5.8038 -5.8038 -5.6264 -5.6264 -5.6247 -5.6246 -5.3351 -5.3351 0.2004 0.2004 0.2025 0.2026 0.3627 0.3627 1.3578 1.3578 7.3073 7.3095 7.3095 7.3096 7.4363 7.4363 7.5165 7.5165 7.5216 7.5235 8.0695 8.0695 8.2080 8.2080 8.2182 8.2187 16.7594 16.7594 16.9518 16.9519 16.9519 16.9522 18.2159 18.2166 k = 0.4507 0.4507 0.4507 ( 1886 PWs) bands (ev): -5.7657 -5.7657 -5.6312 -5.6312 -5.6295 -5.6294 -5.3330 -5.3330 0.1790 0.1790 0.1811 0.1812 0.3063 0.3063 1.3214 1.3214 7.3600 7.3622 7.3622 7.3624 7.4608 7.4608 7.5235 7.5235 7.5287 7.5307 8.1098 8.1098 8.2146 8.2146 8.2245 8.2250 16.7556 16.7556 16.9069 16.9070 16.9070 16.9074 18.2212 18.2220 k = 0.4577 0.4577 0.4577 ( 1892 PWs) bands (ev): -5.7330 -5.7330 -5.6353 -5.6353 -5.6336 -5.6336 -5.3300 -5.3300 0.1604 0.1604 0.1625 0.1626 0.2560 0.2560 1.2903 1.2903 7.4063 7.4085 7.4085 7.4089 7.4823 7.4823 7.5292 7.5292 7.5345 7.5367 8.1450 8.1450 8.2211 8.2211 8.2306 8.2311 16.7520 16.7520 16.8656 16.8657 16.8657 16.8660 18.2248 18.2255 k = 0.4648 0.4648 0.4648 ( 1892 PWs) bands (ev): -5.7056 -5.7056 -5.6388 -5.6388 -5.6371 -5.6371 -5.3264 -5.3264 0.1447 0.1447 0.1467 0.1468 0.2125 0.2125 1.2642 1.2642 7.4460 7.4482 7.4482 7.4488 7.5008 7.5008 7.5338 7.5338 7.5390 7.5415 8.1750 8.1750 8.2271 8.2271 8.2362 8.2367 16.7488 16.7488 16.8290 16.8291 16.8291 16.8294 18.2267 18.2272 k = 0.4718 0.4718 0.4718 ( 1904 PWs) bands (ev): -5.6837 -5.6837 -5.6417 -5.6417 -5.6399 -5.6399 -5.3226 -5.3226 0.1317 0.1317 0.1338 0.1338 0.1760 0.1760 1.2430 1.2430 7.4788 7.4808 7.4808 7.4819 7.5160 7.5160 7.5374 7.5374 7.5424 7.5452 8.1993 8.1993 8.2326 8.2326 8.2410 8.2414 16.7460 16.7460 16.7981 16.7981 16.7981 16.7984 18.2273 18.2276 k = 0.4789 0.4789 0.4789 ( 1904 PWs) bands (ev): -5.6669 -5.6669 -5.6438 -5.6438 -5.6422 -5.6421 -5.3190 -5.3190 0.1216 0.1216 0.1237 0.1238 0.1473 0.1473 1.2267 1.2267 7.5046 7.5062 7.5062 7.5081 7.5281 7.5281 7.5403 7.5403 7.5448 7.5480 8.2176 8.2176 8.2379 8.2379 8.2450 8.2454 16.7438 16.7438 16.7733 16.7733 16.7734 16.7736 18.2270 18.2272 k = 0.4859 0.4859 0.4859 ( 1904 PWs) bands (ev): -5.6553 -5.6553 -5.6453 -5.6453 -5.6437 -5.6437 -5.3160 -5.3160 0.1143 0.1143 0.1165 0.1165 0.1267 0.1267 1.2151 1.2151 7.5233 7.5238 7.5238 7.5271 7.5366 7.5366 7.5430 7.5430 7.5461 7.5498 8.2290 8.2290 8.2435 8.2435 8.2480 8.2482 16.7421 16.7421 16.7553 16.7553 16.7554 16.7555 18.2265 18.2266 k = 0.4930 0.4930 0.4930 ( 1904 PWs) bands (ev): -5.6488 -5.6488 -5.6458 -5.6458 -5.6447 -5.6447 -5.3141 -5.3141 0.1096 0.1096 0.1122 0.1122 0.1144 0.1144 1.2081 1.2081 7.5338 7.5338 7.5351 7.5388 7.5403 7.5403 7.5467 7.5468 7.5468 7.5503 8.2342 8.2342 8.2485 8.2485 8.2499 8.2500 16.7411 16.7411 16.7444 16.7444 16.7445 16.7446 18.2260 18.2260 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -5.6476 -5.6476 -5.6450 -5.6450 -5.6450 -5.6450 -5.3134 -5.3134 0.1076 0.1076 0.1108 0.1108 0.1108 0.1108 1.2058 1.2058 7.5371 7.5371 7.5408 7.5408 7.5408 7.5408 7.5487 7.5487 7.5487 7.5487 8.2357 8.2357 8.2505 8.2505 8.2505 8.2505 16.7406 16.7406 16.7409 16.7409 16.7409 16.7409 18.2258 18.2258 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -5.6476 -5.6476 -5.6450 -5.6450 -5.6450 -5.6450 -5.3134 -5.3134 0.1076 0.1076 0.1108 0.1108 0.1108 0.1108 1.2058 1.2058 7.5371 7.5371 7.5408 7.5408 7.5408 7.5408 7.5487 7.5487 7.5487 7.5487 8.2357 8.2357 8.2505 8.2505 8.2505 8.2505 16.7406 16.7406 16.7409 16.7409 16.7409 16.7409 18.2258 18.2258 k = 0.4914 0.5000 0.4914 ( 1904 PWs) bands (ev): -5.6486 -5.6485 -5.6461 -5.6460 -5.6446 -5.6446 -5.3141 -5.3141 0.1096 0.1096 0.1125 0.1125 0.1141 0.1141 1.2081 1.2081 7.5336 7.5342 7.5354 7.5388 7.5396 7.5405 7.5458 7.5472 7.5473 7.5504 8.2342 8.2343 8.2485 8.2485 8.2499 8.2500 16.7418 16.7418 16.7432 16.7432 16.7451 16.7451 18.2252 18.2253 k = 0.4828 0.5000 0.4828 ( 1904 PWs) bands (ev): -5.6536 -5.6533 -5.6483 -5.6480 -5.6427 -5.6426 -5.3161 -5.3161 0.1134 0.1135 0.1188 0.1190 0.1250 0.1251 1.2151 1.2151 7.5207 7.5232 7.5268 7.5289 7.5359 7.5360 7.5429 7.5435 7.5457 7.5498 8.2287 8.2292 8.2433 8.2437 8.2481 8.2483 16.7447 16.7447 16.7502 16.7503 16.7579 16.7580 18.2234 18.2236 k = 0.4741 0.5000 0.4741 ( 1904 PWs) bands (ev): -5.6627 -5.6623 -5.6516 -5.6511 -5.6390 -5.6389 -5.3191 -5.3191 0.1187 0.1188 0.1300 0.1302 0.1437 0.1438 1.2266 1.2266 7.4972 7.4994 7.5153 7.5177 7.5285 7.5289 7.5390 7.5393 7.5425 7.5468 8.2171 8.2181 8.2375 8.2384 8.2451 8.2453 16.7495 16.7496 16.7619 16.7620 16.7790 16.7792 18.2201 18.2203 k = 0.4655 0.5000 0.4655 ( 1900 PWs) bands (ev): -5.6754 -5.6748 -5.6565 -5.6559 -5.6337 -5.6337 -5.3230 -5.3229 0.1260 0.1260 0.1456 0.1458 0.1698 0.1701 1.2429 1.2429 7.4641 7.4658 7.5004 7.5032 7.5186 7.5192 7.5333 7.5342 7.5369 7.5414 8.1990 8.2005 8.2318 8.2331 8.2409 8.2412 16.7562 16.7563 16.7781 16.7782 16.8082 16.8084 18.2148 18.2151 k = 0.4569 0.5000 0.4569 ( 1892 PWs) bands (ev): -5.6916 -5.6909 -5.6633 -5.6626 -5.6269 -5.6269 -5.3270 -5.3270 0.1352 0.1353 0.1654 0.1657 0.2033 0.2035 1.2639 1.2639 7.4218 7.4232 7.4818 7.4848 7.5063 7.5069 7.5261 7.5271 7.5292 7.5336 8.1756 8.1775 8.2256 8.2271 8.2357 8.2359 16.7647 16.7648 16.7984 16.7985 16.8450 16.8451 18.2068 18.2073 k = 0.4483 0.5000 0.4483 ( 1888 PWs) bands (ev): -5.7111 -5.7102 -5.6725 -5.6717 -5.6187 -5.6186 -5.3308 -5.3308 0.1465 0.1466 0.1891 0.1895 0.2437 0.2441 1.2896 1.2897 7.3706 7.3719 7.4592 7.4624 7.4915 7.4921 7.5168 7.5173 7.5200 7.5238 8.1478 8.1500 8.2184 8.2201 8.2293 8.2294 16.7748 16.7749 16.8226 16.8228 16.8887 16.8889 18.1956 18.1962 k = 0.4397 0.5000 0.4397 ( 1888 PWs) bands (ev): -5.7338 -5.7328 -5.6846 -5.6836 -5.6089 -5.6089 -5.3337 -5.3337 0.1598 0.1598 0.2166 0.2170 0.2911 0.2915 1.3202 1.3202 7.3112 7.3122 7.4325 7.4358 7.4741 7.4747 7.5044 7.5052 7.5098 7.5123 8.1162 8.1186 8.2101 8.2118 8.2217 8.2217 16.7864 16.7865 16.8503 16.8505 16.9387 16.9390 18.1805 18.1812 k = 0.4310 0.5000 0.4310 ( 1890 PWs) bands (ev): -5.7594 -5.7583 -5.6998 -5.6987 -5.5976 -5.5976 -5.3353 -5.3352 0.1751 0.1751 0.2476 0.2480 0.3451 0.3455 1.3556 1.3557 7.2439 7.2448 7.4012 7.4046 7.4542 7.4546 7.4887 7.4906 7.4983 7.4998 8.0816 8.0843 8.2006 8.2023 8.2129 8.2131 16.7994 16.7995 16.8812 16.8814 16.9944 16.9946 18.1611 18.1621 k = 0.4224 0.5000 0.4224 ( 1894 PWs) bands (ev): -5.7878 -5.7866 -5.7184 -5.7172 -5.5850 -5.5849 -5.3349 -5.3349 0.1923 0.1924 0.2818 0.2822 0.4055 0.4060 1.3960 1.3961 7.1692 7.1700 7.3650 7.3684 7.4315 7.4319 7.4705 7.4730 7.4855 7.4864 8.0449 8.0477 8.1898 8.1915 8.2029 8.2034 16.8135 16.8135 16.9147 16.9149 17.0549 17.0551 18.1374 18.1386 k = 0.4138 0.5000 0.4138 ( 1904 PWs) bands (ev): -5.8188 -5.8175 -5.7405 -5.7393 -5.5708 -5.5708 -5.3324 -5.3323 0.2117 0.2118 0.3190 0.3194 0.4720 0.4726 1.4413 1.4414 7.0878 7.0885 7.3236 7.3270 7.4061 7.4065 7.4498 7.4525 7.4713 7.4719 8.0069 8.0098 8.1778 8.1795 8.1917 8.1925 16.8284 16.8284 16.9503 16.9505 17.1194 17.1196 18.1096 18.1110 k = 0.4052 0.5000 0.4052 ( 1904 PWs) bands (ev): -5.8522 -5.8508 -5.7660 -5.7648 -5.5552 -5.5552 -5.3276 -5.3275 0.2330 0.2331 0.3589 0.3593 0.5445 0.5450 1.4916 1.4917 7.0002 7.0008 7.2767 7.2800 7.3781 7.3783 7.4265 7.4294 7.4559 7.4563 7.9683 7.9712 8.1647 8.1663 8.1795 8.1805 16.8439 16.8439 16.9877 16.9879 17.1870 17.1872 18.0782 18.0797 k = 0.3966 0.5000 0.3966 ( 1904 PWs) bands (ev): -5.8877 -5.8862 -5.7949 -5.7936 -5.5383 -5.5382 -5.3204 -5.3202 0.2563 0.2564 0.4012 0.4015 0.6225 0.6231 1.5469 1.5471 6.9069 6.9074 7.2240 7.2271 7.3472 7.3474 7.4007 7.4037 7.4393 7.4396 7.9299 7.9328 8.1505 8.1521 8.1662 8.1674 16.8597 16.8597 17.0261 17.0263 17.2571 17.2572 18.0436 18.0452 k = 0.3879 0.5000 0.3879 ( 1904 PWs) bands (ev): -5.9251 -5.9236 -5.8267 -5.8255 -5.5199 -5.5198 -5.3109 -5.3106 0.2816 0.2818 0.4457 0.4460 0.7059 0.7064 1.6072 1.6073 6.8084 6.8088 7.1655 7.1684 7.3136 7.3137 7.3723 7.3754 7.4215 7.4218 7.8922 7.8949 8.1352 8.1367 8.1518 8.1532 16.8752 16.8753 17.0652 17.0653 17.3286 17.3287 18.0066 18.0083 k = 0.3793 0.5000 0.3793 ( 1916 PWs) bands (ev): -5.9643 -5.9628 -5.8613 -5.8601 -5.5002 -5.5001 -5.2992 -5.2988 0.3089 0.3090 0.4921 0.4924 0.7943 0.7948 1.6723 1.6725 6.7052 6.7055 7.1012 7.1038 7.2772 7.2772 7.3414 7.3445 7.4028 7.4030 7.8555 7.8581 8.1189 8.1204 8.1362 8.1378 16.8902 16.8903 17.1042 17.1043 17.4009 17.4009 17.9678 17.9697 k = 0.3707 0.5000 0.3707 ( 1908 PWs) bands (ev): -6.0049 -6.0034 -5.8983 -5.8971 -5.4791 -5.4791 -5.2854 -5.2849 0.3381 0.3383 0.5403 0.5406 0.8874 0.8879 1.7423 1.7425 6.5981 6.5983 7.0313 7.0336 7.2379 7.2380 7.3081 7.3111 7.3830 7.3832 7.8204 7.8228 8.1017 8.1032 8.1197 8.1214 16.9040 16.9042 17.1427 17.1428 17.4731 17.4733 17.9283 17.9303 k = 0.3621 0.5000 0.3621 ( 1904 PWs) bands (ev): -6.0469 -6.0453 -5.9372 -5.9361 -5.4568 -5.4567 -5.2697 -5.2692 0.3694 0.3695 0.5902 0.5904 0.9849 0.9855 1.8170 1.8172 6.4872 6.4873 6.9561 6.9580 7.1959 7.1959 7.2722 7.2752 7.3624 7.3625 7.7867 7.7888 8.0837 8.0852 8.1021 8.1039 16.9162 16.9165 17.1800 17.1801 17.5443 17.5446 17.8890 17.8909 k = 0.3534 0.5000 0.3534 ( 1908 PWs) bands (ev): -6.0899 -6.0884 -5.9779 -5.9768 -5.4332 -5.4331 -5.2522 -5.2516 0.4025 0.4027 0.6416 0.6417 1.0867 1.0872 1.8962 1.8963 6.3731 6.3731 6.8760 6.8776 7.1510 7.1511 7.2339 7.2368 7.3410 7.3411 7.7544 7.7563 8.0648 8.0664 8.0836 8.0854 16.9262 16.9266 17.2157 17.2158 17.6126 17.6133 17.8519 17.8536 k = 0.3448 0.5000 0.3448 ( 1908 PWs) bands (ev): -6.1338 -6.1323 -6.0199 -6.0189 -5.4083 -5.4083 -5.2331 -5.2325 0.4375 0.4377 0.6943 0.6943 1.1923 1.1929 1.9797 1.9799 6.2563 6.2563 6.7915 6.7927 7.1032 7.1034 7.1932 7.1959 7.3188 7.3189 7.7236 7.7252 8.0453 8.0469 8.0641 8.0659 16.9333 16.9338 17.2492 17.2492 17.6725 17.6741 17.8228 17.8237 k = 0.3362 0.5000 0.3362 ( 1902 PWs) bands (ev): -6.1784 -6.1769 -6.0631 -6.0621 -5.3823 -5.3822 -5.2125 -5.2118 0.4745 0.4747 0.7483 0.7484 1.3015 1.3021 2.0674 2.0676 6.1372 6.1373 6.7032 6.7041 7.0527 7.0529 7.1500 7.1526 7.2960 7.2961 7.6941 7.6955 8.0252 8.0269 8.0437 8.0456 16.9370 16.9376 17.2800 17.2801 17.7035 17.7067 17.8218 17.8224 k = 0.3276 0.5000 0.3276 ( 1902 PWs) bands (ev): -6.2236 -6.2221 -6.1072 -6.1062 -5.3551 -5.3550 -5.1905 -5.1897 0.5133 0.5136 0.8036 0.8037 1.4142 1.4147 2.1590 2.1592 6.0162 6.0163 6.6115 6.6121 6.9993 6.9996 7.1044 7.1068 7.2727 7.2727 7.6658 7.6669 8.0045 8.0063 8.0225 8.0243 16.9367 16.9375 17.3076 17.3077 17.6904 17.6940 17.8653 17.8662 k = 0.3190 0.5000 0.3190 ( 1902 PWs) bands (ev): -6.2691 -6.2676 -6.1519 -6.1510 -5.3268 -5.3267 -5.1672 -5.1663 0.5540 0.5542 0.8600 0.8602 1.5299 1.5304 2.2543 2.2545 5.8935 5.8937 6.5170 6.5173 6.9432 6.9434 7.0564 7.0587 7.2489 7.2489 7.6385 7.6394 7.9834 7.9854 8.0007 8.0023 16.9318 16.9328 17.3316 17.3318 17.6600 17.6636 17.9268 17.9276 k = 0.3103 0.5000 0.3103 ( 1906 PWs) bands (ev): -6.3147 -6.3133 -6.1970 -6.1962 -5.2974 -5.2973 -5.1427 -5.1418 0.5965 0.5967 0.9177 0.9180 1.6484 1.6488 2.3530 2.3532 5.7699 5.7701 6.4203 6.4203 6.8842 6.8845 7.0059 7.0080 7.2247 7.2247 7.6121 7.6127 7.9618 7.9639 7.9781 7.9796 16.9220 16.9231 17.3517 17.3520 17.6263 17.6298 17.9925 17.9931 k = 0.3017 0.5000 0.3017 ( 1910 PWs) bands (ev): -6.3605 -6.3590 -6.2424 -6.2416 -5.2670 -5.2669 -5.1172 -5.1162 0.6408 0.6411 0.9766 0.9770 1.7694 1.7698 2.4549 2.4549 5.6455 5.6458 6.3216 6.3219 6.8226 6.8230 6.9531 6.9550 7.2001 7.2001 7.5863 7.5868 7.9398 7.9422 7.9549 7.9562 16.9070 16.9082 17.3675 17.3679 17.5926 17.5961 18.0591 18.0597 k = 0.2931 0.5000 0.2931 ( 1910 PWs) bands (ev): -6.4061 -6.4047 -6.2878 -6.2871 -5.2357 -5.2356 -5.0906 -5.0895 0.6869 0.6872 1.0367 1.0372 1.8927 1.8931 2.5595 2.5595 5.5208 5.5212 6.2218 6.2223 6.7584 6.7588 6.8979 6.8997 7.1753 7.1754 7.5614 7.5616 7.9174 7.9201 7.9315 7.9324 16.8867 16.8880 17.3788 17.3793 17.5601 17.5636 18.0903 18.0928 k = 0.2845 0.5000 0.2845 ( 1910 PWs) bands (ev): -6.4514 -6.4501 -6.3331 -6.3324 -5.2035 -5.2034 -5.0631 -5.0620 0.7348 0.7351 1.0981 1.0987 2.0180 2.0183 2.6666 2.6667 5.3960 5.3964 6.1212 6.1219 6.6916 6.6920 6.8404 6.8420 7.1504 7.1504 7.5370 7.5371 7.8946 7.8977 7.9079 7.9083 16.8609 16.8624 17.3854 17.3860 17.5293 17.5328 18.0609 18.0635 k = 0.2759 0.5000 0.2759 ( 1914 PWs) bands (ev): -6.4964 -6.4951 -6.3782 -6.3776 -5.1704 -5.1703 -5.0348 -5.0336 0.7843 0.7847 1.1607 1.1613 2.1450 2.1453 2.7760 2.7761 5.2714 5.2719 6.0203 6.0212 6.6222 6.6227 6.7805 6.7819 7.1254 7.1254 7.5130 7.5133 7.8712 7.8749 7.8842 7.8843 16.8300 16.8316 17.3871 17.3877 17.5006 17.5041 18.0292 18.0318 k = 0.2672 0.5000 0.2672 ( 1914 PWs) bands (ev): -6.5410 -6.5397 -6.4228 -6.4223 -5.1366 -5.1365 -5.0057 -5.0045 0.8356 0.8359 1.2246 1.2253 2.2734 2.2736 2.8872 2.8874 5.1474 5.1479 5.9195 5.9206 6.5504 6.5509 6.7183 6.7195 7.1004 7.1004 7.4895 7.4899 7.8474 7.8514 7.8604 7.8610 16.7940 16.7957 17.3836 17.3844 17.4741 17.4776 17.9951 17.9978 k = 0.2586 0.5000 0.2586 ( 1910 PWs) bands (ev): -6.5849 -6.5837 -6.4670 -6.4665 -5.1021 -5.1020 -4.9760 -4.9748 0.8885 0.8888 1.2897 1.2905 2.4029 2.4030 3.0000 3.0004 5.0242 5.0248 5.8194 5.8206 6.4763 6.4769 6.6539 6.6549 7.0754 7.0755 7.4665 7.4671 7.8231 7.8272 7.8373 7.8381 16.7533 16.7551 17.3749 17.3757 17.4499 17.4534 17.9591 17.9619 k = 0.2500 0.5000 0.2500 ( 1894 PWs) bands (ev): -6.6281 -6.6269 -6.5105 -6.5100 -5.0669 -5.0668 -4.9457 -4.9445 0.9429 0.9433 1.3561 1.3570 2.5332 2.5333 3.1141 3.1146 4.9022 4.9028 5.7204 5.7217 6.4000 6.4006 6.5872 6.5880 7.0507 7.0507 7.4440 7.4448 7.7984 7.8025 7.8150 7.8157 16.7082 16.7100 17.3606 17.3615 17.4282 17.4317 17.9220 17.9248 k = 0.2414 0.5000 0.2414 ( 1916 PWs) bands (ev): -6.6706 -6.6695 -6.5533 -6.5528 -5.0312 -5.0311 -4.9150 -4.9137 0.9989 0.9993 1.4238 1.4248 2.6636 2.6637 3.2290 3.2296 4.7815 4.7822 5.6228 5.6243 6.3215 6.3221 6.5182 6.5188 7.0259 7.0259 7.4215 7.4225 7.7733 7.7772 7.7929 7.7935 16.6589 16.6607 17.3408 17.3417 17.4089 17.4124 17.8847 17.8874 k = 0.2328 0.5000 0.2328 ( 1916 PWs) bands (ev): -6.7122 -6.7111 -6.5952 -6.5948 -4.9951 -4.9950 -4.8838 -4.8825 1.0564 1.0568 1.4928 1.4938 2.7941 2.7941 3.3444 3.3452 4.6626 4.6633 5.5274 5.5290 6.2410 6.2416 6.4470 6.4475 7.0015 7.0016 7.3995 7.4006 7.7482 7.7519 7.7714 7.7719 16.6058 16.6077 17.3153 17.3163 17.3921 17.3956 17.8482 17.8508 k = 0.2241 0.5000 0.2241 ( 1916 PWs) bands (ev): -6.7528 -6.7518 -6.6362 -6.6359 -4.9586 -4.9585 -4.8524 -4.8511 1.1152 1.1157 1.5630 1.5642 2.9239 2.9241 3.4600 3.4609 4.5456 4.5464 5.4346 5.4364 6.1585 6.1592 6.3738 6.3740 6.9775 6.9776 7.3777 7.3790 7.7232 7.7267 7.7503 7.7507 16.5492 16.5512 17.2845 17.2854 17.3778 17.3813 17.8133 17.8158 k = 0.2155 0.5000 0.2155 ( 1920 PWs) bands (ev): -6.7924 -6.7914 -6.6762 -6.6759 -4.9219 -4.9218 -4.8208 -4.8195 1.1754 1.1759 1.6346 1.6358 3.0527 3.0530 3.5753 3.5763 4.4307 4.4316 5.3452 5.3470 6.0744 6.0751 6.2984 6.2985 6.9539 6.9540 7.3560 7.3575 7.6984 7.7018 7.7297 7.7300 16.4894 16.4914 17.2485 17.2494 17.3659 17.3694 17.7805 17.7829 k = 0.2069 0.5000 0.2069 ( 1920 PWs) bands (ev): -6.8309 -6.8299 -6.7152 -6.7149 -4.8849 -4.8848 -4.7891 -4.7878 1.2368 1.2374 1.7073 1.7086 3.1797 3.1801 3.6897 3.6910 4.3185 4.3194 5.2600 5.2619 5.9885 5.9893 6.2210 6.2211 6.9308 6.9308 7.3345 7.3361 7.6740 7.6773 7.7095 7.7097 16.4266 16.4285 17.2080 17.2089 17.3564 17.3598 17.7501 17.7523 k = 0.1983 0.5000 0.1983 ( 1924 PWs) bands (ev): -6.8682 -6.8673 -6.7529 -6.7527 -4.8480 -4.8479 -4.7574 -4.7561 1.2993 1.2999 1.7813 1.7826 3.3040 3.3046 3.8028 3.8043 4.2089 4.2099 5.1801 5.1820 5.9012 5.9020 6.1416 6.1418 6.9082 6.9082 7.3130 7.3148 7.6502 7.6533 7.6898 7.6900 16.3610 16.3630 17.1636 17.1644 17.3492 17.3526 17.7220 17.7241 k = 0.1897 0.5000 0.1897 ( 1924 PWs) bands (ev): -6.9043 -6.9035 -6.7895 -6.7893 -4.8111 -4.8110 -4.7259 -4.7245 1.3629 1.3635 1.8565 1.8579 3.4247 3.4254 3.9138 3.9155 4.1024 4.1035 5.1070 5.1089 5.8125 5.8133 6.0604 6.0608 6.8861 6.8862 7.2914 7.2933 7.6270 7.6300 7.6707 7.6708 16.2929 16.2949 17.1161 17.1168 17.3442 17.3476 17.6962 17.6981 k = 0.1810 0.5000 0.1810 ( 1918 PWs) bands (ev): -6.9392 -6.9384 -6.8248 -6.8246 -4.7744 -4.7743 -4.6945 -4.6932 1.4273 1.4280 1.9328 1.9343 3.5401 3.5410 3.9993 4.0005 4.0219 4.0238 5.0426 5.0446 5.7227 5.7235 5.9775 5.9780 6.8647 6.8648 7.2696 7.2716 7.6047 7.6076 7.6521 7.6521 16.2226 16.2245 17.0662 17.0668 17.3413 17.3446 17.6725 17.6742 k = 0.1724 0.5000 0.1724 ( 1918 PWs) bands (ev): -6.9727 -6.9719 -6.8588 -6.8586 -4.7380 -4.7379 -4.6635 -4.6622 1.4924 1.4931 2.0102 2.0118 3.6484 3.6494 3.8999 3.9012 4.1257 4.1280 4.9896 4.9916 5.6318 5.6327 5.8929 5.8935 6.8440 6.8440 7.2474 7.2495 7.5833 7.5862 7.6341 7.6341 16.1503 16.1522 17.0146 17.0151 17.3404 17.3436 17.6506 17.6521 k = 0.1638 0.5000 0.1638 ( 1918 PWs) bands (ev): -7.0048 -7.0041 -6.8913 -6.8912 -4.7020 -4.7019 -4.6330 -4.6317 1.5580 1.5588 2.0887 2.0903 3.7466 3.7479 3.8045 3.8058 4.2242 4.2268 4.9516 4.9537 5.5401 5.5409 5.8069 5.8076 6.8239 6.8240 7.2247 7.2269 7.5631 7.5659 7.6168 7.6168 16.0765 16.0783 16.9618 16.9624 17.3412 17.3444 17.6303 17.6316 k = 0.1552 0.5000 0.1552 ( 1918 PWs) bands (ev): -7.0355 -7.0348 -6.9225 -6.9224 -4.6666 -4.6665 -4.6031 -4.6018 1.6238 1.6247 2.1681 2.1698 3.7133 3.7148 3.8314 3.8329 4.3161 4.3190 4.9331 4.9351 5.4477 5.4485 5.7196 5.7204 6.8047 6.8047 7.2013 7.2035 7.5443 7.5470 7.6001 7.6002 16.0013 16.0031 16.9085 16.9090 17.3438 17.3468 17.6114 17.6125 k = 0.1466 0.5000 0.1466 ( 1918 PWs) bands (ev): -7.0647 -7.0641 -6.9522 -6.9521 -4.6320 -4.6319 -4.5738 -4.5725 1.6897 1.6906 2.2483 2.2501 3.6270 3.6285 3.8984 3.9000 4.4011 4.4042 4.9381 4.9400 5.3548 5.3557 5.6310 5.6320 6.7862 6.7863 7.1770 7.1792 7.5268 7.5296 7.5841 7.5842 15.9253 15.9270 16.8551 16.8556 17.3478 17.3508 17.5938 17.5948 k = 0.1379 0.5000 0.1379 ( 1918 PWs) bands (ev): -7.0925 -7.0919 -6.9803 -6.9803 -4.5982 -4.5981 -4.5453 -4.5441 1.7551 1.7561 2.3292 2.3311 3.5458 3.5474 3.9443 3.9460 4.4806 4.4839 4.9679 4.9698 5.2616 5.2626 5.5416 5.5427 6.7686 6.7686 7.1517 7.1539 7.5110 7.5137 7.5689 7.5690 15.8490 15.8506 16.8021 16.8025 17.3531 17.3560 17.5774 17.5783 k = 0.1293 0.5000 0.1293 ( 1926 PWs) bands (ev): -7.1187 -7.1182 -7.0070 -7.0069 -4.5654 -4.5653 -4.5178 -4.5167 1.8197 1.8208 2.4107 2.4126 3.4703 3.4720 3.9685 3.9701 4.5574 4.5607 5.0199 5.0218 5.1684 5.1694 5.4515 5.4529 6.7518 6.7518 7.1250 7.1272 7.4969 7.4995 7.5544 7.5545 15.7727 15.7742 16.7496 16.7501 17.3595 17.3623 17.5622 17.5630 k = 0.1207 0.5000 0.1207 ( 1926 PWs) bands (ev): -7.1434 -7.1429 -7.0320 -7.0320 -4.5337 -4.5337 -4.4914 -4.4902 1.8830 1.8842 2.4925 2.4946 3.4011 3.4029 3.9736 3.9751 4.6335 4.6367 5.0754 5.0760 5.0884 5.0901 5.3618 5.3635 6.7360 6.7360 7.0969 7.0991 7.4845 7.4872 7.5407 7.5409 15.6971 15.6985 16.6983 16.6987 17.3669 17.3695 17.5481 17.5488 k = 0.1121 0.5000 0.1121 ( 1922 PWs) bands (ev): -7.1664 -7.1660 -7.0555 -7.0554 -4.5034 -4.5033 -4.4661 -4.4650 1.9444 1.9456 2.5745 2.5766 3.3386 3.3405 3.9648 3.9662 4.7090 4.7121 4.9829 4.9839 5.1612 5.1641 5.2776 5.2802 6.7212 6.7212 7.0673 7.0694 7.4740 7.4766 7.5281 7.5282 15.6228 15.6241 16.6483 16.6487 17.3750 17.3775 17.5350 17.5357 k = 0.1034 0.5000 0.1034 ( 1918 PWs) bands (ev): -7.1879 -7.1875 -7.0773 -7.0773 -4.4746 -4.4745 -4.4421 -4.4411 2.0031 2.0044 2.6562 2.6584 3.2838 3.2858 3.9472 3.9485 4.7822 4.7852 4.8912 4.8922 5.1617 5.1625 5.2766 5.2771 6.7073 6.7074 7.0360 7.0380 7.4652 7.4678 7.5161 7.5163 15.5503 15.5516 16.6000 16.6005 17.3836 17.3860 17.5231 17.5237 k = 0.0948 0.5000 0.0948 ( 1918 PWs) bands (ev): -7.2077 -7.2073 -7.0974 -7.0974 -4.4473 -4.4473 -4.4195 -4.4186 2.0583 2.0597 2.7373 2.7396 3.2372 3.2394 3.9253 3.9266 4.8006 4.8016 4.8493 4.8524 5.0820 5.0828 5.3604 5.3611 6.6945 6.6945 7.0029 7.0048 7.4581 7.4606 7.5050 7.5052 15.4804 15.4816 16.5538 16.5542 17.3925 17.3948 17.5123 17.5128 k = 0.0862 0.5000 0.0862 ( 1914 PWs) bands (ev): -7.2259 -7.2255 -7.1159 -7.1159 -4.4218 -4.4218 -4.3984 -4.3976 2.1089 2.1104 2.8172 2.8195 3.1998 3.2021 3.9025 3.9038 4.7117 4.7127 4.8938 4.8968 5.0144 5.0156 5.4518 5.4529 6.6826 6.6827 6.9679 6.9698 7.4527 7.4551 7.4948 7.4951 15.4137 15.4147 16.5100 16.5104 17.4015 17.4036 17.5024 17.5029 k = 0.0776 0.5000 0.0776 ( 1914 PWs) bands (ev): -7.2424 -7.2421 -7.1327 -7.1327 -4.3983 -4.3983 -4.3790 -4.3782 2.1541 2.1556 2.8951 2.8975 3.1721 3.1744 3.8814 3.8828 4.6249 4.6259 4.8587 4.8599 5.0219 5.0223 5.5442 5.5453 6.6718 6.6719 6.9311 6.9329 7.4487 7.4509 7.4855 7.4858 15.3508 15.3518 16.4689 16.4693 17.4105 17.4124 17.4937 17.4941 k = 0.0690 0.5000 0.0690 ( 1912 PWs) bands (ev): -7.2572 -7.2569 -7.1477 -7.1477 -4.3768 -4.3768 -4.3613 -4.3606 2.1930 2.1945 2.9700 2.9725 3.1546 3.1569 3.8645 3.8659 4.5409 4.5419 4.7769 4.7772 5.0693 5.0704 5.6355 5.6366 6.6621 6.6622 6.8926 6.8943 7.4460 7.4480 7.4772 7.4775 15.2925 15.2933 16.4309 16.4313 17.4191 17.4208 17.4859 17.4862 k = 0.0603 0.5000 0.0603 ( 1912 PWs) bands (ev): -7.2703 -7.2700 -7.1610 -7.1610 -4.3575 -4.3575 -4.3454 -4.3448 2.2252 2.2266 3.0407 3.0431 3.1472 3.1494 3.8538 3.8553 4.4605 4.4615 4.6874 4.6875 5.1184 5.1196 5.7241 5.7253 6.6535 6.6536 6.8525 6.8541 7.4443 7.4462 7.4698 7.4701 15.2393 15.2400 16.3964 16.3968 17.4272 17.4287 17.4791 17.4794 k = 0.0517 0.5000 0.0517 ( 1916 PWs) bands (ev): -7.2816 -7.2814 -7.1726 -7.1726 -4.3405 -4.3405 -4.3314 -4.3309 2.2504 2.2518 3.1054 3.1078 3.1491 3.1513 3.8515 3.8530 4.3848 4.3857 4.5967 4.5967 5.1631 5.1642 5.8090 5.8101 6.6460 6.6461 6.8111 6.8127 7.4435 7.4450 7.4633 7.4637 15.1918 15.1924 16.3656 16.3660 17.4347 17.4360 17.4733 17.4736 k = 0.0431 0.5000 0.0431 ( 1912 PWs) bands (ev): -7.2912 -7.2911 -7.1824 -7.1824 -4.3260 -4.3259 -4.3194 -4.3190 2.2692 2.2704 3.1585 3.1605 3.1626 3.1649 3.8595 3.8611 4.3150 4.3159 4.5064 4.5064 5.2017 5.2027 5.8888 5.8899 6.6397 6.6398 6.7694 6.7708 7.4434 7.4446 7.4579 7.4584 15.1506 15.1511 16.3390 16.3393 17.4413 17.4424 17.4685 17.4687 k = 0.0345 0.5000 0.0345 ( 1912 PWs) bands (ev): -7.2991 -7.2990 -7.1905 -7.1904 -4.3140 -4.3139 -4.3094 -4.3092 2.2824 2.2834 3.1736 3.1753 3.2100 3.2120 3.8796 3.8812 4.2530 4.2538 4.4175 4.4176 5.2338 5.2346 5.9619 5.9629 6.6344 6.6345 6.7282 6.7295 7.4436 7.4444 7.4534 7.4540 15.1162 15.1166 16.3168 16.3171 17.4470 17.4479 17.4646 17.4648 k = 0.0259 0.5000 0.0259 ( 1912 PWs) bands (ev): -7.3053 -7.3052 -7.1967 -7.1967 -4.3047 -4.3046 -4.3015 -4.3013 2.2912 2.2920 3.1906 3.1920 3.2468 3.2484 3.9125 3.9139 4.2008 4.2015 4.3310 4.3311 5.2589 5.2596 6.0258 6.0267 6.6302 6.6304 6.6896 6.6908 7.4441 7.4444 7.4499 7.4507 15.0890 15.0893 16.2993 16.2995 17.4515 17.4522 17.4616 17.4617 k = 0.0172 0.5000 0.0172 ( 1912 PWs) bands (ev): -7.3097 -7.3096 -7.2012 -7.2012 -4.2981 -4.2980 -4.2956 -4.2956 2.2965 2.2971 3.2064 3.2073 3.2725 3.2737 3.9574 3.9585 4.1610 4.1614 4.2483 4.2485 5.2770 5.2775 6.0772 6.0779 6.6271 6.6273 6.6567 6.6577 7.4443 7.4444 7.4476 7.4485 15.0693 15.0695 16.2866 16.2867 17.4549 17.4554 17.4595 17.4596 k = 0.0086 0.5000 0.0086 ( 1920 PWs) bands (ev): -7.3123 -7.3123 -7.2039 -7.2039 -4.2943 -4.2942 -4.2920 -4.2920 2.2994 2.2997 3.2176 3.2181 3.2876 3.2882 4.0107 4.0115 4.1357 4.1359 4.1728 4.1731 5.2880 5.2882 6.1115 6.1119 6.6243 6.6246 6.6347 6.6354 7.4441 7.4444 7.4466 7.4472 15.0574 15.0575 16.2790 16.2790 17.4568 17.4570 17.4581 17.4581 k = 0.0000 0.5000-0.0000 ( 1936 PWs) bands (ev): -7.3132 -7.3132 -7.2048 -7.2048 -4.2930 -4.2930 -4.2908 -4.2908 2.3003 2.3003 3.2217 3.2217 3.2927 3.2927 4.0493 4.0493 4.1256 4.1256 4.1287 4.1287 5.2917 5.2917 6.1238 6.1238 6.6217 6.6217 6.6288 6.6288 7.4441 7.4441 7.4466 7.4466 15.0535 15.0535 16.2764 16.2764 17.4572 17.4572 17.4577 17.4577 k = 0.5000 0.5000-0.0000 ( 1924 PWs) bands (ev): -5.9889 -5.9889 -5.9869 -5.9869 -5.9614 -5.9614 -5.7206 -5.7206 2.3495 2.3495 2.3500 2.3500 3.1149 3.1149 3.1283 3.1283 4.5499 4.5499 4.7284 4.7284 4.7307 4.7307 5.3134 5.3134 7.2937 7.2937 7.5233 7.5233 8.0952 8.0952 8.0986 8.0986 17.5363 17.5363 17.5366 17.5366 17.9219 17.9219 18.0140 18.0140 k = 0.5000 0.5000 0.0122 ( 1924 PWs) bands (ev): -5.9884 -5.9884 -5.9864 -5.9864 -5.9609 -5.9609 -5.7201 -5.7201 2.3430 2.3430 2.3435 2.3435 3.0448 3.0448 3.1854 3.1854 4.5531 4.5531 4.7357 4.7357 4.7379 4.7379 5.3246 5.3246 7.2940 7.2940 7.5234 7.5234 8.0953 8.0953 8.0987 8.0987 17.5366 17.5366 17.5369 17.5369 17.9159 17.9159 18.0220 18.0220 k = 0.5000 0.5000 0.0244 ( 1924 PWs) bands (ev): -5.9871 -5.9871 -5.9851 -5.9851 -5.9597 -5.9597 -5.7185 -5.7185 2.3239 2.3239 2.3244 2.3244 2.9585 2.9585 3.2324 3.2324 4.5640 4.5640 4.7572 4.7572 4.7594 4.7594 5.3569 5.3569 7.2948 7.2948 7.5238 7.5238 8.0957 8.0957 8.0991 8.0991 17.5374 17.5374 17.5377 17.5377 17.9019 17.9019 18.0416 18.0416 k = 0.5000 0.5000 0.0366 ( 1932 PWs) bands (ev): -5.9849 -5.9849 -5.9829 -5.9829 -5.9576 -5.9576 -5.7159 -5.7159 2.2928 2.2928 2.2933 2.2933 2.8646 2.8646 3.2605 3.2605 4.5855 4.5855 4.7922 4.7922 4.7944 4.7944 5.4077 5.4077 7.2960 7.2960 7.5242 7.5242 8.0962 8.0962 8.0997 8.0997 17.5387 17.5387 17.5389 17.5389 17.8854 17.8854 18.0672 18.0672 k = 0.5000 0.5000 0.0488 ( 1932 PWs) bands (ev): -5.9818 -5.9818 -5.9798 -5.9798 -5.9547 -5.9547 -5.7123 -5.7123 2.2509 2.2509 2.2513 2.2513 2.7654 2.7654 3.2681 3.2681 4.6204 4.6204 4.8397 4.8397 4.8418 4.8418 5.4736 5.4736 7.2979 7.2979 7.5250 7.5250 8.0972 8.0972 8.1006 8.1006 17.5403 17.5403 17.5406 17.5406 17.8691 17.8691 18.0958 18.0958 k = 0.5000 0.5000 0.0610 ( 1932 PWs) bands (ev): -5.9778 -5.9778 -5.9758 -5.9758 -5.9510 -5.9510 -5.7076 -5.7076 2.1994 2.1994 2.1999 2.1999 2.6624 2.6624 3.2554 3.2554 4.6701 4.6701 4.8983 4.8983 4.9002 4.9002 5.5513 5.5513 7.3003 7.3003 7.5260 7.5260 8.0983 8.0983 8.1018 8.1018 17.5423 17.5423 17.5425 17.5425 17.8540 17.8540 18.1261 18.1261 k = 0.5000 0.5000 0.0732 ( 1924 PWs) bands (ev): -5.9730 -5.9730 -5.9710 -5.9710 -5.9465 -5.9465 -5.7020 -5.7020 2.1398 2.1398 2.1403 2.1403 2.5568 2.5568 3.2243 3.2243 4.7344 4.7344 4.9665 4.9665 4.9683 4.9683 5.6379 5.6379 7.3032 7.3032 7.5272 7.5272 8.0998 8.0998 8.1033 8.1033 17.5444 17.5444 17.5447 17.5447 17.8407 17.8407 18.1569 18.1569 k = 0.5000 0.5000 0.0854 ( 1924 PWs) bands (ev): -5.9674 -5.9674 -5.9654 -5.9654 -5.9413 -5.9413 -5.6954 -5.6954 2.0735 2.0735 2.0740 2.0740 2.4497 2.4497 3.1777 3.1777 4.8114 4.8114 5.0429 5.0429 5.0446 5.0446 5.7313 5.7313 7.3066 7.3066 7.5286 7.5286 8.1015 8.1015 8.1050 8.1050 17.5465 17.5465 17.5468 17.5468 17.8292 17.8292 18.1868 18.1868 k = 0.5000 0.5000 0.0976 ( 1932 PWs) bands (ev): -5.9610 -5.9610 -5.9590 -5.9590 -5.9353 -5.9353 -5.6878 -5.6878 2.0016 2.0016 2.0022 2.0022 2.3417 2.3417 3.1188 3.1188 4.8989 4.8989 5.1261 5.1261 5.1278 5.1278 5.8296 5.8296 7.3105 7.3105 7.5302 7.5302 8.1033 8.1033 8.1070 8.1070 17.5484 17.5484 17.5486 17.5486 17.8197 17.8197 18.2147 18.2147 k = 0.5000 0.5000 0.1098 ( 1920 PWs) bands (ev): -5.9538 -5.9538 -5.9518 -5.9518 -5.9286 -5.9286 -5.6794 -5.6794 1.9255 1.9255 1.9261 1.9261 2.2335 2.2335 3.0506 3.0506 4.9947 4.9947 5.2152 5.2152 5.2167 5.2167 5.9317 5.9317 7.3149 7.3149 7.5320 7.5320 8.1055 8.1055 8.1092 8.1092 17.5498 17.5498 17.5500 17.5500 17.8124 17.8124 18.2386 18.2386 k = 0.5000 0.5000 0.1220 ( 1920 PWs) bands (ev): -5.9458 -5.9458 -5.9438 -5.9438 -5.9211 -5.9211 -5.6700 -5.6700 1.8460 1.8460 1.8467 1.8467 2.1255 2.1255 2.9755 2.9755 5.0966 5.0966 5.3087 5.3087 5.3102 5.3102 6.0363 6.0363 7.3197 7.3197 7.5339 7.5339 8.1079 8.1079 8.1117 8.1117 17.5504 17.5504 17.5506 17.5506 17.8071 17.8071 18.2561 18.2561 k = 0.5000 0.5000 0.1341 ( 1912 PWs) bands (ev): -5.9372 -5.9372 -5.9352 -5.9352 -5.9131 -5.9131 -5.6599 -5.6599 1.7641 1.7641 1.7649 1.7649 2.0182 2.0182 2.8956 2.8956 5.2032 5.2032 5.4060 5.4060 5.4074 5.4074 6.1426 6.1426 7.3250 7.3250 7.5359 7.5359 8.1105 8.1105 8.1144 8.1144 17.5499 17.5499 17.5500 17.5500 17.8038 17.8038 18.2646 18.2646 k = 0.5000 0.5000 0.1463 ( 1912 PWs) bands (ev): -5.9279 -5.9279 -5.9259 -5.9259 -5.9044 -5.9044 -5.6489 -5.6489 1.6806 1.6806 1.6815 1.6815 1.9118 1.9118 2.8124 2.8124 5.3130 5.3130 5.5060 5.5060 5.5073 5.5073 6.2499 6.2499 7.3306 7.3306 7.5381 7.5381 8.1134 8.1134 8.1174 8.1174 17.5478 17.5478 17.5480 17.5480 17.8023 17.8023 18.2613 18.2613 k = 0.5000 0.5000 0.1585 ( 1932 PWs) bands (ev): -5.9179 -5.9179 -5.9159 -5.9159 -5.8951 -5.8951 -5.6372 -5.6372 1.5962 1.5962 1.5971 1.5971 1.8067 1.8067 2.7270 2.7270 5.4248 5.4248 5.6081 5.6081 5.6093 5.6093 6.3575 6.3575 7.3367 7.3367 7.5402 7.5402 8.1163 8.1163 8.1204 8.1204 17.5438 17.5438 17.5439 17.5439 17.8026 17.8026 18.2442 18.2442 k = 0.5000 0.5000 0.1707 ( 1932 PWs) bands (ev): -5.9074 -5.9074 -5.9054 -5.9054 -5.8853 -5.8853 -5.6247 -5.6247 1.5113 1.5113 1.5123 1.5123 1.7032 1.7032 2.6406 2.6406 5.5381 5.5381 5.7116 5.7116 5.7128 5.7128 6.4651 6.4651 7.3431 7.3431 7.5425 7.5425 8.1196 8.1196 8.1238 8.1238 17.5373 17.5373 17.5374 17.5374 17.8042 17.8042 18.2133 18.2133 k = 0.5000 0.5000 0.1829 ( 1916 PWs) bands (ev): -5.8963 -5.8963 -5.8943 -5.8943 -5.8750 -5.8750 -5.6117 -5.6117 1.4265 1.4265 1.4276 1.4276 1.6015 1.6015 2.5539 2.5539 5.6521 5.6521 5.8160 5.8160 5.8172 5.8172 6.5722 6.5722 7.3499 7.3499 7.5450 7.5450 8.1231 8.1231 8.1274 8.1274 17.5280 17.5280 17.5280 17.5280 17.8069 17.8069 18.1702 18.1702 k = 0.5000 0.5000 0.1951 ( 1916 PWs) bands (ev): -5.8848 -5.8848 -5.8828 -5.8828 -5.8642 -5.8642 -5.5980 -5.5980 1.3422 1.3422 1.3434 1.3434 1.5016 1.5016 2.4675 2.4675 5.7661 5.7661 5.9206 5.9206 5.9219 5.9219 6.6784 6.6784 7.3570 7.3570 7.5473 7.5473 8.1267 8.1267 8.1312 8.1312 17.5153 17.5153 17.5153 17.5153 17.8096 17.8096 18.1180 18.1180 k = 0.5000 0.5000 0.2073 ( 1908 PWs) bands (ev): -5.8728 -5.8728 -5.8708 -5.8708 -5.8531 -5.8531 -5.5839 -5.5839 1.2589 1.2589 1.2601 1.2601 1.4040 1.4040 2.3818 2.3818 5.8795 5.8795 6.0251 6.0251 6.0263 6.0263 6.7833 6.7833 7.3644 7.3644 7.5498 7.5498 8.1306 8.1306 8.1353 8.1353 17.4988 17.4988 17.4988 17.4988 17.8105 17.8105 18.0613 18.0613 k = 0.5000 0.5000 0.2195 ( 1908 PWs) bands (ev): -5.8605 -5.8605 -5.8585 -5.8585 -5.8417 -5.8417 -5.5693 -5.5693 1.1768 1.1768 1.1781 1.1781 1.3087 1.3087 2.2973 2.2973 5.9921 5.9921 6.1289 6.1289 6.1302 6.1302 6.8867 6.8867 7.3721 7.3721 7.5522 7.5522 8.1347 8.1347 8.1395 8.1395 17.4782 17.4782 17.4782 17.4782 17.8054 17.8054 18.0066 18.0066 k = 0.5000 0.5000 0.2317 ( 1908 PWs) bands (ev): -5.8478 -5.8478 -5.8459 -5.8459 -5.8300 -5.8300 -5.5543 -5.5543 1.0962 1.0962 1.0975 1.0975 1.2160 1.2160 2.2145 2.2145 6.1032 6.1032 6.2315 6.2315 6.2330 6.2330 6.9880 6.9880 7.3799 7.3799 7.5544 7.5544 8.1388 8.1388 8.1438 8.1438 17.4534 17.4534 17.4534 17.4534 17.7859 17.7859 17.9641 17.9641 k = 0.5000 0.5000 0.2439 ( 1908 PWs) bands (ev): -5.8350 -5.8350 -5.8330 -5.8330 -5.8181 -5.8181 -5.5391 -5.5391 1.0174 1.0174 1.0188 1.0188 1.1259 1.1259 2.1335 2.1335 6.2126 6.2126 6.3328 6.3328 6.3343 6.3343 7.0872 7.0872 7.3879 7.3879 7.5567 7.5567 8.1431 8.1431 8.1483 8.1483 17.4243 17.4243 17.4243 17.4243 17.7445 17.7445 17.9428 17.9428 k = 0.5000 0.5000 0.2561 ( 1908 PWs) bands (ev): -5.8220 -5.8220 -5.8200 -5.8200 -5.8060 -5.8060 -5.5236 -5.5236 0.9407 0.9407 0.9422 0.9422 1.0387 1.0387 2.0547 2.0547 6.3199 6.3199 6.4321 6.4321 6.4338 6.4338 7.1839 7.1839 7.3961 7.3961 7.5588 7.5588 8.1476 8.1476 8.1530 8.1530 17.3911 17.3911 17.3912 17.3912 17.6851 17.6851 17.9399 17.9399 k = 0.5000 0.5000 0.2683 ( 1908 PWs) bands (ev): -5.8089 -5.8089 -5.8069 -5.8069 -5.7939 -5.7939 -5.5080 -5.5080 0.8663 0.8663 0.8679 0.8679 0.9545 0.9545 1.9783 1.9783 6.4247 6.4247 6.5291 6.5291 6.5310 6.5310 7.2779 7.2779 7.4045 7.4045 7.5608 7.5608 8.1523 8.1523 8.1579 8.1579 17.3542 17.3542 17.3544 17.3544 17.6167 17.6167 17.9473 17.9473 k = 0.5000 0.5000 0.2805 ( 1908 PWs) bands (ev): -5.7958 -5.7958 -5.7938 -5.7938 -5.7818 -5.7818 -5.4924 -5.4924 0.7944 0.7944 0.7960 0.7960 0.8735 0.8735 1.9046 1.9046 6.5267 6.5267 6.6236 6.6236 6.6257 6.6257 7.3687 7.3687 7.4130 7.4130 7.5626 7.5626 8.1572 8.1572 8.1630 8.1630 17.3142 17.3142 17.3144 17.3144 17.5446 17.5446 17.9601 17.9601 k = 0.5000 0.5000 0.2927 ( 1900 PWs) bands (ev): -5.7827 -5.7827 -5.7808 -5.7808 -5.7698 -5.7698 -5.4768 -5.4768 0.7253 0.7253 0.7269 0.7269 0.7958 0.7958 1.8337 1.8337 6.6256 6.6256 6.7151 6.7151 6.7174 6.7174 7.4212 7.4212 7.4567 7.4567 7.5643 7.5643 8.1622 8.1622 8.1683 8.1683 17.2716 17.2716 17.2718 17.2718 17.4717 17.4717 17.9760 17.9760 k = 0.5000 0.5000 0.3049 ( 1908 PWs) bands (ev): -5.7698 -5.7698 -5.7679 -5.7679 -5.7579 -5.7579 -5.4614 -5.4614 0.6590 0.6590 0.6607 0.6607 0.7216 0.7216 1.7659 1.7659 6.7210 6.7210 6.8031 6.8031 6.8056 6.8056 7.4298 7.4298 7.5404 7.5404 7.5659 7.5659 8.1674 8.1674 8.1737 8.1737 17.2271 17.2271 17.2274 17.2274 17.3994 17.3994 17.9938 17.9938 k = 0.5000 0.5000 0.3171 ( 1908 PWs) bands (ev): -5.7572 -5.7572 -5.7552 -5.7552 -5.7463 -5.7463 -5.4463 -5.4463 0.5958 0.5958 0.5976 0.5976 0.6510 0.6510 1.7013 1.7013 6.8126 6.8126 6.8876 6.8876 6.8903 6.8903 7.4384 7.4384 7.5668 7.5668 7.6210 7.6210 8.1727 8.1727 8.1793 8.1793 17.1816 17.1816 17.1818 17.1818 17.3287 17.3287 18.0130 18.0130 k = 0.5000 0.5000 0.3293 ( 1916 PWs) bands (ev): -5.7449 -5.7449 -5.7429 -5.7429 -5.7350 -5.7350 -5.4315 -5.4315 0.5358 0.5358 0.5376 0.5376 0.5841 0.5841 1.6400 1.6400 6.9002 6.9002 6.9680 6.9680 6.9709 6.9709 7.4468 7.4468 7.5678 7.5678 7.6973 7.6973 8.1781 8.1781 8.1850 8.1850 17.1355 17.1355 17.1358 17.1358 17.2602 17.2602 18.0329 18.0329 k = 0.5000 0.5000 0.3415 ( 1916 PWs) bands (ev): -5.7329 -5.7329 -5.7309 -5.7309 -5.7240 -5.7240 -5.4172 -5.4172 0.4793 0.4793 0.4812 0.4812 0.5211 0.5211 1.5823 1.5823 6.9833 6.9833 7.0440 7.0440 7.0472 7.0472 7.4552 7.4552 7.5684 7.5684 7.7694 7.7694 8.1837 8.1837 8.1909 8.1909 17.0898 17.0898 17.0901 17.0901 17.1945 17.1945 18.0533 18.0533 k = 0.5000 0.5000 0.3537 ( 1916 PWs) bands (ev): -5.7215 -5.7215 -5.7195 -5.7195 -5.7135 -5.7135 -5.4034 -5.4034 0.4263 0.4263 0.4282 0.4282 0.4622 0.4622 1.5283 1.5283 7.0618 7.0618 7.1154 7.1154 7.1189 7.1189 7.4634 7.4634 7.5688 7.5688 7.8371 7.8371 8.1895 8.1895 8.1969 8.1969 17.0449 17.0449 17.0452 17.0452 17.1320 17.1320 18.0738 18.0738 k = 0.5000 0.5000 0.3659 ( 1916 PWs) bands (ev): -5.7106 -5.7106 -5.7086 -5.7086 -5.7035 -5.7035 -5.3902 -5.3902 0.3770 0.3770 0.3789 0.3789 0.4074 0.4074 1.4781 1.4781 7.1353 7.1353 7.1819 7.1819 7.1856 7.1856 7.4716 7.4716 7.5688 7.5688 7.9002 7.9002 8.1953 8.1953 8.2030 8.2030 17.0015 17.0015 17.0018 17.0018 17.0732 17.0732 18.0940 18.0940 k = 0.5000 0.5000 0.3780 ( 1908 PWs) bands (ev): -5.7003 -5.7003 -5.6983 -5.6983 -5.6941 -5.6941 -5.3779 -5.3779 0.3315 0.3315 0.3335 0.3335 0.3570 0.3570 1.4319 1.4319 7.2035 7.2035 7.2433 7.2433 7.2472 7.2472 7.4796 7.4796 7.5685 7.5685 7.9584 7.9584 8.2013 8.2013 8.2092 8.2092 16.9602 16.9602 16.9605 16.9605 17.0182 17.0182 18.1137 18.1137 k = 0.5000 0.5000 0.3902 ( 1900 PWs) bands (ev): -5.6908 -5.6908 -5.6887 -5.6887 -5.6853 -5.6853 -5.3663 -5.3663 0.2899 0.2899 0.2920 0.2920 0.3109 0.3109 1.3897 1.3897 7.2662 7.2662 7.2992 7.2992 7.3034 7.3034 7.4874 7.4874 7.5679 7.5679 8.0118 8.0118 8.2072 8.2072 8.2154 8.2154 16.9214 16.9214 16.9217 16.9217 16.9676 16.9676 18.1326 18.1326 k = 0.5000 0.5000 0.4024 ( 1900 PWs) bands (ev): -5.6821 -5.6821 -5.6800 -5.6800 -5.6773 -5.6773 -5.3557 -5.3557 0.2524 0.2524 0.2546 0.2546 0.2693 0.2693 1.3516 1.3516 7.3230 7.3230 7.3496 7.3496 7.3539 7.3539 7.4949 7.4949 7.5668 7.5668 8.0599 8.0599 8.2130 8.2130 8.2214 8.2214 16.8855 16.8855 16.8858 16.8858 16.9215 16.9215 18.1504 18.1504 k = 0.5000 0.5000 0.4146 ( 1896 PWs) bands (ev): -5.6742 -5.6742 -5.6720 -5.6720 -5.6700 -5.6700 -5.3462 -5.3462 0.2191 0.2191 0.2213 0.2213 0.2324 0.2324 1.3178 1.3178 7.3738 7.3738 7.3942 7.3942 7.3987 7.3987 7.5022 7.5022 7.5654 7.5654 8.1027 8.1027 8.2187 8.2187 8.2272 8.2272 16.8529 16.8529 16.8532 16.8532 16.8801 16.8801 18.1669 18.1669 k = 0.5000 0.5000 0.4268 ( 1896 PWs) bands (ev): -5.6673 -5.6673 -5.6650 -5.6650 -5.6636 -5.6636 -5.3377 -5.3377 0.1900 0.1900 0.1922 0.1922 0.2002 0.2002 1.2883 1.2883 7.4182 7.4182 7.4329 7.4329 7.4375 7.4375 7.5092 7.5092 7.5636 7.5636 8.1400 8.1400 8.2241 8.2241 8.2327 8.2327 16.8240 16.8240 16.8243 16.8243 16.8438 16.8438 18.1817 18.1817 k = 0.5000 0.5000 0.4390 ( 1896 PWs) bands (ev): -5.6613 -5.6613 -5.6590 -5.6590 -5.6580 -5.6580 -5.3304 -5.3304 0.1651 0.1651 0.1675 0.1675 0.1729 0.1729 1.2633 1.2633 7.4560 7.4560 7.4657 7.4657 7.4704 7.4704 7.5160 7.5160 7.5614 7.5614 8.1716 8.1716 8.2292 8.2292 8.2377 8.2377 16.7991 16.7991 16.7993 16.7993 16.8127 16.8127 18.1947 18.1947 k = 0.5000 0.5000 0.4512 ( 1896 PWs) bands (ev): -5.6564 -5.6564 -5.6540 -5.6540 -5.6534 -5.6534 -5.3244 -5.3244 0.1447 0.1447 0.1471 0.1471 0.1505 0.1505 1.2427 1.2427 7.4870 7.4870 7.4927 7.4927 7.4971 7.4971 7.5226 7.5226 7.5588 7.5588 8.1973 8.1973 8.2339 8.2339 8.2421 8.2421 16.7783 16.7783 16.7785 16.7785 16.7870 16.7870 18.2057 18.2057 k = 0.5000 0.5000 0.4634 ( 1904 PWs) bands (ev): -5.6526 -5.6526 -5.6501 -5.6501 -5.6498 -5.6498 -5.3196 -5.3196 0.1286 0.1286 0.1312 0.1312 0.1330 0.1330 1.2266 1.2266 7.5106 7.5106 7.5137 7.5137 7.5176 7.5176 7.5294 7.5294 7.5558 7.5558 8.2166 8.2166 8.2385 8.2385 8.2457 8.2457 16.7620 16.7620 16.7622 16.7622 16.7669 16.7669 18.2144 18.2144 k = 0.5000 0.5000 0.4756 ( 1904 PWs) bands (ev): -5.6498 -5.6498 -5.6473 -5.6473 -5.6471 -5.6471 -5.3162 -5.3162 0.1170 0.1170 0.1199 0.1199 0.1206 0.1206 1.2150 1.2150 7.5262 7.5262 7.5284 7.5284 7.5319 7.5319 7.5374 7.5374 7.5528 7.5528 8.2287 8.2287 8.2436 8.2436 8.2483 8.2483 16.7502 16.7502 16.7504 16.7504 16.7524 16.7524 18.2207 18.2207 k = 0.5000 0.5000 0.4878 ( 1904 PWs) bands (ev): -5.6482 -5.6482 -5.6456 -5.6456 -5.6455 -5.6455 -5.3141 -5.3141 0.1100 0.1100 0.1130 0.1130 0.1132 0.1132 1.2081 1.2081 7.5342 7.5342 7.5370 7.5370 7.5400 7.5400 7.5450 7.5450 7.5502 7.5502 8.2342 8.2342 8.2485 8.2485 8.2500 8.2500 16.7431 16.7431 16.7433 16.7433 16.7437 16.7437 18.2245 18.2245 k = 0.5000 0.5000 0.5000 ( 1904 PWs) bands (ev): -5.6476 -5.6476 -5.6450 -5.6450 -5.6450 -5.6450 -5.3134 -5.3134 0.1076 0.1076 0.1108 0.1108 0.1108 0.1108 1.2058 1.2058 7.5371 7.5371 7.5408 7.5408 7.5408 7.5408 7.5487 7.5487 7.5487 7.5487 8.2357 8.2357 8.2505 8.2505 8.2505 8.2505 16.7406 16.7406 16.7409 16.7409 16.7409 16.7409 18.2258 18.2258 Writing output data file AlB3N4.save init_run : 3.79s CPU 13.38s WALL ( 1 calls) electrons : 306.16s CPU 310.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 306.14s CPU 310.53s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.83s WALL ( 1 calls) v_h : 0.02s CPU 0.05s WALL ( 1 calls) v_xc : 0.17s CPU 0.52s WALL ( 1 calls) newd : 0.16s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 316 calls) cegterg : 283.98s CPU 286.50s WALL ( 808 calls) Called by sum_band: Called by *egterg: h_psi : 104.58s CPU 111.23s WALL ( 14376 calls) s_psi : 12.02s CPU 12.77s WALL ( 14376 calls) g_psi : 0.19s CPU 0.26s WALL ( 13252 calls) cdiaghg : 131.68s CPU 128.95s WALL ( 13568 calls) cegterg:over : 22.29s CPU 19.39s WALL ( 13252 calls) cegterg:upda : 1.85s CPU 4.14s WALL ( 13252 calls) cegterg:last : 2.08s CPU 2.72s WALL ( 1777 calls) Called by h_psi: h_psi:vloc : 73.58s CPU 79.71s WALL ( 14376 calls) h_psi:vnl : 30.91s CPU 31.20s WALL ( 14376 calls) add_vuspsi : 7.42s CPU 10.44s WALL ( 14376 calls) General routines calbec : 23.45s CPU 20.67s WALL ( 14376 calls) fft : 0.33s CPU 1.29s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 70.06s CPU 75.43s WALL ( 867248 calls) interpolate : 0.09s CPU 0.17s WALL ( 4 calls) davcio : 0.02s CPU 0.80s WALL ( 632 calls) Parallel routines fft_scatter : 57.56s CPU 62.01s WALL ( 867271 calls) PWSCF : 5m40.85s CPU 6m55.07s WALL This run was terminated on: 15:21:17 30Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=