Program PWSCF v.5.1.1 starts on 19Jul2015 at 23:18:28 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: ./ZrH.save/ file Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 17 12 3 545 302 51 Max 18 13 4 550 318 56 Sum 829 577 177 26291 14975 2599 bravais-lattice index = 14 lattice parameter (alat) = 6.2352 a.u. unit-cell volume = 355.4827 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 268.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.235181 celldm(2)= 1.000000 celldm(3)= 1.466464 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 1.466464 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.681913 ) PseudoPot. # 1 for Zr read from file: /home/autes/Pseudo/Zr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8b6e13b1b49db219b5566974d4b37ab4 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /home/autes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 12.00 91.22400 Zr( 1.00) H 1.00 1.00790 H( 1.00) 16 Sym. Ops., with inversion, found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7332318 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7332318 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7332318 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7332318 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7332318 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7332318 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7332318 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7332318 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2'-2C2' 3 -3 4 -4 2C2''-2C2' 5 -5 6 -6 2C4 7 8 i 9 s_h -s_h 10 -10 2s_v-2s_v 11 -11 12 -12 2s_d-2s_d 13 -13 14 -14 2S4 15 16 -E -1 -2C4 -7 -8 -i -9 -2S4 -15 -16 Cartesian axes number of k points= 436 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0000000 0.0104167 -0.0000000), wk = 0.0022936 k( 3) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0022936 k( 4) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0022936 k( 5) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0022936 k( 6) = ( 0.0000000 0.0520833 -0.0000000), wk = 0.0022936 k( 7) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0022936 k( 8) = ( 0.0000000 0.0729167 -0.0000000), wk = 0.0022936 k( 9) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0022936 k( 10) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0022936 k( 11) = ( 0.0000000 0.1041667 -0.0000000), wk = 0.0022936 k( 12) = ( 0.0000000 0.1145833 -0.0000000), wk = 0.0022936 k( 13) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0022936 k( 14) = ( 0.0000000 0.1354167 -0.0000000), wk = 0.0022936 k( 15) = ( 0.0000000 0.1458333 -0.0000000), wk = 0.0022936 k( 16) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0022936 k( 17) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0022936 k( 18) = ( 0.0000000 0.1770833 -0.0000000), wk = 0.0022936 k( 19) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0022936 k( 20) = ( 0.0000000 0.1979167 -0.0000000), wk = 0.0022936 k( 21) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0022936 k( 22) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0022936 k( 23) = ( 0.0000000 0.2291667 -0.0000000), wk = 0.0022936 k( 24) = ( 0.0000000 0.2395833 -0.0000000), wk = 0.0022936 k( 25) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022936 k( 26) = ( 0.0000000 0.2604167 -0.0000000), wk = 0.0022936 k( 27) = ( 0.0000000 0.2708333 -0.0000000), wk = 0.0022936 k( 28) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0022936 k( 29) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0022936 k( 30) = ( 0.0000000 0.3020833 -0.0000000), wk = 0.0022936 k( 31) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0022936 k( 32) = ( 0.0000000 0.3229167 -0.0000000), wk = 0.0022936 k( 33) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0022936 k( 34) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0022936 k( 35) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0022936 k( 36) = ( 0.0000000 0.3645833 -0.0000000), wk = 0.0022936 k( 37) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0022936 k( 38) = ( 0.0000000 0.3854167 -0.0000000), wk = 0.0022936 k( 39) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0022936 k( 40) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0022936 k( 41) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0022936 k( 42) = ( 0.0000000 0.4270833 -0.0000000), wk = 0.0022936 k( 43) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0022936 k( 44) = ( 0.0000000 0.4479167 -0.0000000), wk = 0.0022936 k( 45) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0022936 k( 46) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0022936 k( 47) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0022936 k( 48) = ( 0.0000000 0.4895833 -0.0000000), wk = 0.0022936 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022936 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022936 k( 51) = ( 0.0104167 0.5000000 -0.0000000), wk = 0.0022936 k( 52) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0022936 k( 53) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0022936 k( 54) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0022936 k( 55) = ( 0.0520833 0.5000000 -0.0000000), wk = 0.0022936 k( 56) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0022936 k( 57) = ( 0.0729167 0.5000000 -0.0000000), wk = 0.0022936 k( 58) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0022936 k( 59) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0022936 k( 60) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0022936 k( 61) = ( 0.1145833 0.5000000 -0.0000000), wk = 0.0022936 k( 62) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0022936 k( 63) = ( 0.1354167 0.5000000 -0.0000000), wk = 0.0022936 k( 64) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0022936 k( 65) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0022936 k( 66) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0022936 k( 67) = ( 0.1770833 0.5000000 -0.0000000), wk = 0.0022936 k( 68) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0022936 k( 69) = ( 0.1979167 0.5000000 -0.0000000), wk = 0.0022936 k( 70) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0022936 k( 71) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0022936 k( 72) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0022936 k( 73) = ( 0.2395833 0.5000000 -0.0000000), wk = 0.0022936 k( 74) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0022936 k( 75) = ( 0.2604167 0.5000000 -0.0000000), wk = 0.0022936 k( 76) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0022936 k( 77) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0022936 k( 78) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0022936 k( 79) = ( 0.3020833 0.5000000 -0.0000000), wk = 0.0022936 k( 80) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0022936 k( 81) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0022936 k( 82) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0022936 k( 83) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0022936 k( 84) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0022936 k( 85) = ( 0.3645833 0.5000000 -0.0000000), wk = 0.0022936 k( 86) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022936 k( 87) = ( 0.3854167 0.5000000 -0.0000000), wk = 0.0022936 k( 88) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0022936 k( 89) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0022936 k( 90) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0022936 k( 91) = ( 0.4270833 0.5000000 -0.0000000), wk = 0.0022936 k( 92) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0022936 k( 93) = ( 0.4479167 0.5000000 -0.0000000), wk = 0.0022936 k( 94) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0022936 k( 95) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0022936 k( 96) = ( 0.4791667 0.5000000 -0.0000000), wk = 0.0022936 k( 97) = ( 0.4895833 0.5000000 -0.0000000), wk = 0.0022936 k( 98) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022936 k( 99) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022936 k( 100) = ( 0.4926471 0.4926471 -0.0000000), wk = 0.0022936 k( 101) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0022936 k( 102) = ( 0.4779412 0.4779412 -0.0000000), wk = 0.0022936 k( 103) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0022936 k( 104) = ( 0.4632353 0.4632353 -0.0000000), wk = 0.0022936 k( 105) = ( 0.4558823 0.4558823 -0.0000000), wk = 0.0022936 k( 106) = ( 0.4485294 0.4485294 -0.0000000), wk = 0.0022936 k( 107) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0022936 k( 108) = ( 0.4338235 0.4338235 -0.0000000), wk = 0.0022936 k( 109) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0022936 k( 110) = ( 0.4191177 0.4191176 -0.0000000), wk = 0.0022936 k( 111) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0022936 k( 112) = ( 0.4044118 0.4044118 -0.0000000), wk = 0.0022936 k( 113) = ( 0.3970588 0.3970588 -0.0000000), wk = 0.0022936 k( 114) = ( 0.3897059 0.3897059 -0.0000000), wk = 0.0022936 k( 115) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0022936 k( 116) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0022936 k( 117) = ( 0.3676471 0.3676471 -0.0000000), wk = 0.0022936 k( 118) = ( 0.3602941 0.3602941 -0.0000000), wk = 0.0022936 k( 119) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0022936 k( 120) = ( 0.3455882 0.3455882 -0.0000000), wk = 0.0022936 k( 121) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0022936 k( 122) = ( 0.3308823 0.3308823 -0.0000000), wk = 0.0022936 k( 123) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0022936 k( 124) = ( 0.3161765 0.3161765 -0.0000000), wk = 0.0022936 k( 125) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0022936 k( 126) = ( 0.3014706 0.3014706 -0.0000000), wk = 0.0022936 k( 127) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0022936 k( 128) = ( 0.2867647 0.2867647 -0.0000000), wk = 0.0022936 k( 129) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0022936 k( 130) = ( 0.2720588 0.2720588 -0.0000000), wk = 0.0022936 k( 131) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0022936 k( 132) = ( 0.2573529 0.2573529 -0.0000000), wk = 0.0022936 k( 133) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0022936 k( 134) = ( 0.2426471 0.2426471 -0.0000000), wk = 0.0022936 k( 135) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0022936 k( 136) = ( 0.2279412 0.2279412 -0.0000000), wk = 0.0022936 k( 137) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0022936 k( 138) = ( 0.2132353 0.2132353 -0.0000000), wk = 0.0022936 k( 139) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0022936 k( 140) = ( 0.1985294 0.1985294 -0.0000000), wk = 0.0022936 k( 141) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0022936 k( 142) = ( 0.1838235 0.1838235 -0.0000000), wk = 0.0022936 k( 143) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0022936 k( 144) = ( 0.1691177 0.1691176 -0.0000000), wk = 0.0022936 k( 145) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0022936 k( 146) = ( 0.1544118 0.1544118 -0.0000000), wk = 0.0022936 k( 147) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0022936 k( 148) = ( 0.1397059 0.1397059 -0.0000000), wk = 0.0022936 k( 149) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0022936 k( 150) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0022936 k( 151) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0022936 k( 152) = ( 0.1102941 0.1102941 -0.0000000), wk = 0.0022936 k( 153) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0022936 k( 154) = ( 0.0955882 0.0955882 -0.0000000), wk = 0.0022936 k( 155) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0022936 k( 156) = ( 0.0808824 0.0808823 -0.0000000), wk = 0.0022936 k( 157) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0022936 k( 158) = ( 0.0661765 0.0661765 -0.0000000), wk = 0.0022936 k( 159) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0022936 k( 160) = ( 0.0514706 0.0514706 -0.0000000), wk = 0.0022936 k( 161) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0022936 k( 162) = ( 0.0367647 0.0367647 -0.0000000), wk = 0.0022936 k( 163) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0022936 k( 164) = ( 0.0220588 0.0220588 -0.0000000), wk = 0.0022936 k( 165) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0022936 k( 166) = ( 0.0073529 0.0073529 -0.0000000), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.0103320), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.0206640), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.0309960), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.0413280), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.0516600), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.0619921), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.0723241), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.0826561), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.0929881), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.1033201), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.1136521), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.1239841), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.1343161), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.1446481), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.1549801), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.1653121), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.1756441), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.1859762), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.1963082), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.2066402), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.2169722), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.2273042), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.2376362), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.2479682), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.2583002), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.2686322), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.2789642), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.2892962), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.2996283), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.3099603), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.3202923), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.3306243), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.3409563), wk = 0.0022936 k( 202) = ( 0.0000000 0.0000000 0.3409563), wk = 0.0022936 k( 203) = ( 0.0000000 0.0104167 0.3409563), wk = 0.0022936 k( 204) = ( 0.0000000 0.0208333 0.3409563), wk = 0.0022936 k( 205) = ( 0.0000000 0.0312500 0.3409563), wk = 0.0022936 k( 206) = ( 0.0000000 0.0416667 0.3409563), wk = 0.0022936 k( 207) = ( 0.0000000 0.0520833 0.3409563), wk = 0.0022936 k( 208) = ( 0.0000000 0.0625000 0.3409563), wk = 0.0022936 k( 209) = ( 0.0000000 0.0729167 0.3409563), wk = 0.0022936 k( 210) = ( 0.0000000 0.0833333 0.3409563), wk = 0.0022936 k( 211) = ( 0.0000000 0.0937500 0.3409563), wk = 0.0022936 k( 212) = ( 0.0000000 0.1041667 0.3409563), wk = 0.0022936 k( 213) = ( 0.0000000 0.1145833 0.3409563), wk = 0.0022936 k( 214) = ( 0.0000000 0.1250000 0.3409563), wk = 0.0022936 k( 215) = ( 0.0000000 0.1354167 0.3409563), wk = 0.0022936 k( 216) = ( 0.0000000 0.1458333 0.3409563), wk = 0.0022936 k( 217) = ( 0.0000000 0.1562500 0.3409563), wk = 0.0022936 k( 218) = ( 0.0000000 0.1666667 0.3409563), wk = 0.0022936 k( 219) = ( 0.0000000 0.1770833 0.3409563), wk = 0.0022936 k( 220) = ( 0.0000000 0.1875000 0.3409563), wk = 0.0022936 k( 221) = ( 0.0000000 0.1979167 0.3409563), wk = 0.0022936 k( 222) = ( 0.0000000 0.2083333 0.3409563), wk = 0.0022936 k( 223) = ( 0.0000000 0.2187500 0.3409563), wk = 0.0022936 k( 224) = ( 0.0000000 0.2291667 0.3409563), wk = 0.0022936 k( 225) = ( 0.0000000 0.2395833 0.3409563), wk = 0.0022936 k( 226) = ( 0.0000000 0.2500000 0.3409563), wk = 0.0022936 k( 227) = ( 0.0000000 0.2604167 0.3409563), wk = 0.0022936 k( 228) = ( 0.0000000 0.2708333 0.3409563), wk = 0.0022936 k( 229) = ( 0.0000000 0.2812500 0.3409563), wk = 0.0022936 k( 230) = ( 0.0000000 0.2916667 0.3409563), wk = 0.0022936 k( 231) = ( 0.0000000 0.3020833 0.3409563), wk = 0.0022936 k( 232) = ( 0.0000000 0.3125000 0.3409563), wk = 0.0022936 k( 233) = ( 0.0000000 0.3229167 0.3409563), wk = 0.0022936 k( 234) = ( 0.0000000 0.3333333 0.3409563), wk = 0.0022936 k( 235) = ( 0.0000000 0.3437500 0.3409563), wk = 0.0022936 k( 236) = ( 0.0000000 0.3541667 0.3409563), wk = 0.0022936 k( 237) = ( 0.0000000 0.3645833 0.3409563), wk = 0.0022936 k( 238) = ( 0.0000000 0.3750000 0.3409563), wk = 0.0022936 k( 239) = ( 0.0000000 0.3854167 0.3409563), wk = 0.0022936 k( 240) = ( 0.0000000 0.3958333 0.3409563), wk = 0.0022936 k( 241) = ( 0.0000000 0.4062500 0.3409563), wk = 0.0022936 k( 242) = ( 0.0000000 0.4166667 0.3409563), wk = 0.0022936 k( 243) = ( 0.0000000 0.4270833 0.3409563), wk = 0.0022936 k( 244) = ( 0.0000000 0.4375000 0.3409563), wk = 0.0022936 k( 245) = ( 0.0000000 0.4479167 0.3409563), wk = 0.0022936 k( 246) = ( 0.0000000 0.4583333 0.3409563), wk = 0.0022936 k( 247) = ( 0.0000000 0.4687500 0.3409563), wk = 0.0022936 k( 248) = ( 0.0000000 0.4791667 0.3409563), wk = 0.0022936 k( 249) = ( 0.0000000 0.4895833 0.3409563), wk = 0.0022936 k( 250) = ( 0.0000000 0.5000000 0.3409563), wk = 0.0022936 k( 251) = ( 0.0000000 0.5000000 0.3409563), wk = 0.0022936 k( 252) = ( 0.0104167 0.5000000 0.3409563), wk = 0.0022936 k( 253) = ( 0.0208333 0.5000000 0.3409563), wk = 0.0022936 k( 254) = ( 0.0312500 0.5000000 0.3409563), wk = 0.0022936 k( 255) = ( 0.0416667 0.5000000 0.3409563), wk = 0.0022936 k( 256) = ( 0.0520833 0.5000000 0.3409563), wk = 0.0022936 k( 257) = ( 0.0625000 0.5000000 0.3409563), wk = 0.0022936 k( 258) = ( 0.0729167 0.5000000 0.3409563), wk = 0.0022936 k( 259) = ( 0.0833333 0.5000000 0.3409563), wk = 0.0022936 k( 260) = ( 0.0937500 0.5000000 0.3409563), wk = 0.0022936 k( 261) = ( 0.1041667 0.5000000 0.3409563), wk = 0.0022936 k( 262) = ( 0.1145833 0.5000000 0.3409563), wk = 0.0022936 k( 263) = ( 0.1250000 0.5000000 0.3409563), wk = 0.0022936 k( 264) = ( 0.1354167 0.5000000 0.3409563), wk = 0.0022936 k( 265) = ( 0.1458333 0.5000000 0.3409563), wk = 0.0022936 k( 266) = ( 0.1562500 0.5000000 0.3409563), wk = 0.0022936 k( 267) = ( 0.1666667 0.5000000 0.3409563), wk = 0.0022936 k( 268) = ( 0.1770833 0.5000000 0.3409563), wk = 0.0022936 k( 269) = ( 0.1875000 0.5000000 0.3409563), wk = 0.0022936 k( 270) = ( 0.1979167 0.5000000 0.3409563), wk = 0.0022936 k( 271) = ( 0.2083333 0.5000000 0.3409563), wk = 0.0022936 k( 272) = ( 0.2187500 0.5000000 0.3409563), wk = 0.0022936 k( 273) = ( 0.2291667 0.5000000 0.3409563), wk = 0.0022936 k( 274) = ( 0.2395833 0.5000000 0.3409563), wk = 0.0022936 k( 275) = ( 0.2500000 0.5000000 0.3409563), wk = 0.0022936 k( 276) = ( 0.2604167 0.5000000 0.3409563), wk = 0.0022936 k( 277) = ( 0.2708333 0.5000000 0.3409563), wk = 0.0022936 k( 278) = ( 0.2812500 0.5000000 0.3409563), wk = 0.0022936 k( 279) = ( 0.2916667 0.5000000 0.3409563), wk = 0.0022936 k( 280) = ( 0.3020833 0.5000000 0.3409563), wk = 0.0022936 k( 281) = ( 0.3125000 0.5000000 0.3409563), wk = 0.0022936 k( 282) = ( 0.3229167 0.5000000 0.3409563), wk = 0.0022936 k( 283) = ( 0.3333333 0.5000000 0.3409563), wk = 0.0022936 k( 284) = ( 0.3437500 0.5000000 0.3409563), wk = 0.0022936 k( 285) = ( 0.3541667 0.5000000 0.3409563), wk = 0.0022936 k( 286) = ( 0.3645833 0.5000000 0.3409563), wk = 0.0022936 k( 287) = ( 0.3750000 0.5000000 0.3409563), wk = 0.0022936 k( 288) = ( 0.3854167 0.5000000 0.3409563), wk = 0.0022936 k( 289) = ( 0.3958333 0.5000000 0.3409563), wk = 0.0022936 k( 290) = ( 0.4062500 0.5000000 0.3409563), wk = 0.0022936 k( 291) = ( 0.4166667 0.5000000 0.3409563), wk = 0.0022936 k( 292) = ( 0.4270833 0.5000000 0.3409563), wk = 0.0022936 k( 293) = ( 0.4375000 0.5000000 0.3409563), wk = 0.0022936 k( 294) = ( 0.4479167 0.5000000 0.3409563), wk = 0.0022936 k( 295) = ( 0.4583333 0.5000000 0.3409563), wk = 0.0022936 k( 296) = ( 0.4687500 0.5000000 0.3409563), wk = 0.0022936 k( 297) = ( 0.4791667 0.5000000 0.3409563), wk = 0.0022936 k( 298) = ( 0.4895833 0.5000000 0.3409563), wk = 0.0022936 k( 299) = ( 0.5000000 0.5000000 0.3409563), wk = 0.0022936 k( 300) = ( 0.5000000 0.5000000 0.3409563), wk = 0.0022936 k( 301) = ( 0.4926471 0.4926471 0.3409563), wk = 0.0022936 k( 302) = ( 0.4852941 0.4852941 0.3409563), wk = 0.0022936 k( 303) = ( 0.4779412 0.4779412 0.3409563), wk = 0.0022936 k( 304) = ( 0.4705882 0.4705882 0.3409563), wk = 0.0022936 k( 305) = ( 0.4632353 0.4632353 0.3409563), wk = 0.0022936 k( 306) = ( 0.4558823 0.4558823 0.3409563), wk = 0.0022936 k( 307) = ( 0.4485294 0.4485294 0.3409563), wk = 0.0022936 k( 308) = ( 0.4411765 0.4411765 0.3409563), wk = 0.0022936 k( 309) = ( 0.4338235 0.4338235 0.3409563), wk = 0.0022936 k( 310) = ( 0.4264706 0.4264706 0.3409563), wk = 0.0022936 k( 311) = ( 0.4191177 0.4191176 0.3409563), wk = 0.0022936 k( 312) = ( 0.4117647 0.4117647 0.3409563), wk = 0.0022936 k( 313) = ( 0.4044118 0.4044118 0.3409563), wk = 0.0022936 k( 314) = ( 0.3970588 0.3970588 0.3409563), wk = 0.0022936 k( 315) = ( 0.3897059 0.3897059 0.3409563), wk = 0.0022936 k( 316) = ( 0.3823529 0.3823529 0.3409563), wk = 0.0022936 k( 317) = ( 0.3750000 0.3750000 0.3409563), wk = 0.0022936 k( 318) = ( 0.3676471 0.3676471 0.3409563), wk = 0.0022936 k( 319) = ( 0.3602941 0.3602941 0.3409563), wk = 0.0022936 k( 320) = ( 0.3529412 0.3529412 0.3409563), wk = 0.0022936 k( 321) = ( 0.3455882 0.3455882 0.3409563), wk = 0.0022936 k( 322) = ( 0.3382353 0.3382353 0.3409563), wk = 0.0022936 k( 323) = ( 0.3308823 0.3308823 0.3409563), wk = 0.0022936 k( 324) = ( 0.3235294 0.3235294 0.3409563), wk = 0.0022936 k( 325) = ( 0.3161765 0.3161765 0.3409563), wk = 0.0022936 k( 326) = ( 0.3088235 0.3088235 0.3409563), wk = 0.0022936 k( 327) = ( 0.3014706 0.3014706 0.3409563), wk = 0.0022936 k( 328) = ( 0.2941177 0.2941176 0.3409563), wk = 0.0022936 k( 329) = ( 0.2867647 0.2867647 0.3409563), wk = 0.0022936 k( 330) = ( 0.2794118 0.2794118 0.3409563), wk = 0.0022936 k( 331) = ( 0.2720588 0.2720588 0.3409563), wk = 0.0022936 k( 332) = ( 0.2647059 0.2647059 0.3409563), wk = 0.0022936 k( 333) = ( 0.2573529 0.2573529 0.3409563), wk = 0.0022936 k( 334) = ( 0.2500000 0.2500000 0.3409563), wk = 0.0022936 k( 335) = ( 0.2426471 0.2426471 0.3409563), wk = 0.0022936 k( 336) = ( 0.2352941 0.2352941 0.3409563), wk = 0.0022936 k( 337) = ( 0.2279412 0.2279412 0.3409563), wk = 0.0022936 k( 338) = ( 0.2205882 0.2205882 0.3409563), wk = 0.0022936 k( 339) = ( 0.2132353 0.2132353 0.3409563), wk = 0.0022936 k( 340) = ( 0.2058823 0.2058823 0.3409563), wk = 0.0022936 k( 341) = ( 0.1985294 0.1985294 0.3409563), wk = 0.0022936 k( 342) = ( 0.1911765 0.1911765 0.3409563), wk = 0.0022936 k( 343) = ( 0.1838235 0.1838235 0.3409563), wk = 0.0022936 k( 344) = ( 0.1764706 0.1764706 0.3409563), wk = 0.0022936 k( 345) = ( 0.1691177 0.1691176 0.3409563), wk = 0.0022936 k( 346) = ( 0.1617647 0.1617647 0.3409563), wk = 0.0022936 k( 347) = ( 0.1544118 0.1544118 0.3409563), wk = 0.0022936 k( 348) = ( 0.1470588 0.1470588 0.3409563), wk = 0.0022936 k( 349) = ( 0.1397059 0.1397059 0.3409563), wk = 0.0022936 k( 350) = ( 0.1323529 0.1323529 0.3409563), wk = 0.0022936 k( 351) = ( 0.1250000 0.1250000 0.3409563), wk = 0.0022936 k( 352) = ( 0.1176471 0.1176471 0.3409563), wk = 0.0022936 k( 353) = ( 0.1102941 0.1102941 0.3409563), wk = 0.0022936 k( 354) = ( 0.1029412 0.1029412 0.3409563), wk = 0.0022936 k( 355) = ( 0.0955882 0.0955882 0.3409563), wk = 0.0022936 k( 356) = ( 0.0882353 0.0882353 0.3409563), wk = 0.0022936 k( 357) = ( 0.0808824 0.0808823 0.3409563), wk = 0.0022936 k( 358) = ( 0.0735294 0.0735294 0.3409563), wk = 0.0022936 k( 359) = ( 0.0661765 0.0661765 0.3409563), wk = 0.0022936 k( 360) = ( 0.0588235 0.0588235 0.3409563), wk = 0.0022936 k( 361) = ( 0.0514706 0.0514706 0.3409563), wk = 0.0022936 k( 362) = ( 0.0441177 0.0441176 0.3409563), wk = 0.0022936 k( 363) = ( 0.0367647 0.0367647 0.3409563), wk = 0.0022936 k( 364) = ( 0.0294118 0.0294118 0.3409563), wk = 0.0022936 k( 365) = ( 0.0220588 0.0220588 0.3409563), wk = 0.0022936 k( 366) = ( 0.0147059 0.0147059 0.3409563), wk = 0.0022936 k( 367) = ( 0.0073529 0.0073529 0.3409563), wk = 0.0022936 k( 368) = ( 0.0000000 0.0000000 0.3409563), wk = 0.0022936 k( 369) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022936 k( 370) = ( 0.0000000 0.5000000 0.0103320), wk = 0.0022936 k( 371) = ( 0.0000000 0.5000000 0.0206640), wk = 0.0022936 k( 372) = ( 0.0000000 0.5000000 0.0309960), wk = 0.0022936 k( 373) = ( 0.0000000 0.5000000 0.0413280), wk = 0.0022936 k( 374) = ( 0.0000000 0.5000000 0.0516600), wk = 0.0022936 k( 375) = ( 0.0000000 0.5000000 0.0619921), wk = 0.0022936 k( 376) = ( 0.0000000 0.5000000 0.0723241), wk = 0.0022936 k( 377) = ( 0.0000000 0.5000000 0.0826561), wk = 0.0022936 k( 378) = ( 0.0000000 0.5000000 0.0929881), wk = 0.0022936 k( 379) = ( 0.0000000 0.5000000 0.1033201), wk = 0.0022936 k( 380) = ( 0.0000000 0.5000000 0.1136521), wk = 0.0022936 k( 381) = ( 0.0000000 0.5000000 0.1239841), wk = 0.0022936 k( 382) = ( 0.0000000 0.5000000 0.1343161), wk = 0.0022936 k( 383) = ( 0.0000000 0.5000000 0.1446481), wk = 0.0022936 k( 384) = ( 0.0000000 0.5000000 0.1549801), wk = 0.0022936 k( 385) = ( 0.0000000 0.5000000 0.1653121), wk = 0.0022936 k( 386) = ( 0.0000000 0.5000000 0.1756441), wk = 0.0022936 k( 387) = ( 0.0000000 0.5000000 0.1859762), wk = 0.0022936 k( 388) = ( 0.0000000 0.5000000 0.1963082), wk = 0.0022936 k( 389) = ( 0.0000000 0.5000000 0.2066402), wk = 0.0022936 k( 390) = ( 0.0000000 0.5000000 0.2169722), wk = 0.0022936 k( 391) = ( 0.0000000 0.5000000 0.2273042), wk = 0.0022936 k( 392) = ( 0.0000000 0.5000000 0.2376362), wk = 0.0022936 k( 393) = ( 0.0000000 0.5000000 0.2479682), wk = 0.0022936 k( 394) = ( 0.0000000 0.5000000 0.2583002), wk = 0.0022936 k( 395) = ( 0.0000000 0.5000000 0.2686322), wk = 0.0022936 k( 396) = ( 0.0000000 0.5000000 0.2789642), wk = 0.0022936 k( 397) = ( 0.0000000 0.5000000 0.2892962), wk = 0.0022936 k( 398) = ( 0.0000000 0.5000000 0.2996283), wk = 0.0022936 k( 399) = ( 0.0000000 0.5000000 0.3099603), wk = 0.0022936 k( 400) = ( 0.0000000 0.5000000 0.3202923), wk = 0.0022936 k( 401) = ( 0.0000000 0.5000000 0.3306243), wk = 0.0022936 k( 402) = ( 0.0000000 0.5000000 0.3409563), wk = 0.0022936 k( 403) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022936 k( 404) = ( 0.5000000 0.5000000 0.0103320), wk = 0.0022936 k( 405) = ( 0.5000000 0.5000000 0.0206640), wk = 0.0022936 k( 406) = ( 0.5000000 0.5000000 0.0309960), wk = 0.0022936 k( 407) = ( 0.5000000 0.5000000 0.0413280), wk = 0.0022936 k( 408) = ( 0.5000000 0.5000000 0.0516600), wk = 0.0022936 k( 409) = ( 0.5000000 0.5000000 0.0619921), wk = 0.0022936 k( 410) = ( 0.5000000 0.5000000 0.0723241), wk = 0.0022936 k( 411) = ( 0.5000000 0.5000000 0.0826561), wk = 0.0022936 k( 412) = ( 0.5000000 0.5000000 0.0929881), wk = 0.0022936 k( 413) = ( 0.5000000 0.5000000 0.1033201), wk = 0.0022936 k( 414) = ( 0.5000000 0.5000000 0.1136521), wk = 0.0022936 k( 415) = ( 0.5000000 0.5000000 0.1239841), wk = 0.0022936 k( 416) = ( 0.5000000 0.5000000 0.1343161), wk = 0.0022936 k( 417) = ( 0.5000000 0.5000000 0.1446481), wk = 0.0022936 k( 418) = ( 0.5000000 0.5000000 0.1549801), wk = 0.0022936 k( 419) = ( 0.5000000 0.5000000 0.1653121), wk = 0.0022936 k( 420) = ( 0.5000000 0.5000000 0.1756441), wk = 0.0022936 k( 421) = ( 0.5000000 0.5000000 0.1859762), wk = 0.0022936 k( 422) = ( 0.5000000 0.5000000 0.1963082), wk = 0.0022936 k( 423) = ( 0.5000000 0.5000000 0.2066402), wk = 0.0022936 k( 424) = ( 0.5000000 0.5000000 0.2169722), wk = 0.0022936 k( 425) = ( 0.5000000 0.5000000 0.2273042), wk = 0.0022936 k( 426) = ( 0.5000000 0.5000000 0.2376362), wk = 0.0022936 k( 427) = ( 0.5000000 0.5000000 0.2479682), wk = 0.0022936 k( 428) = ( 0.5000000 0.5000000 0.2583002), wk = 0.0022936 k( 429) = ( 0.5000000 0.5000000 0.2686322), wk = 0.0022936 k( 430) = ( 0.5000000 0.5000000 0.2789642), wk = 0.0022936 k( 431) = ( 0.5000000 0.5000000 0.2892962), wk = 0.0022936 k( 432) = ( 0.5000000 0.5000000 0.2996283), wk = 0.0022936 k( 433) = ( 0.5000000 0.5000000 0.3099603), wk = 0.0022936 k( 434) = ( 0.5000000 0.5000000 0.3202923), wk = 0.0022936 k( 435) = ( 0.5000000 0.5000000 0.3306243), wk = 0.0022936 k( 436) = ( 0.5000000 0.5000000 0.3409563), wk = 0.0022936 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0000000 0.0104167 0.0000000), wk = 0.0022936 k( 3) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0022936 k( 4) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0022936 k( 5) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0022936 k( 6) = ( 0.0000000 0.0520833 0.0000000), wk = 0.0022936 k( 7) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0022936 k( 8) = ( 0.0000000 0.0729167 0.0000000), wk = 0.0022936 k( 9) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0022936 k( 10) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0022936 k( 11) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0022936 k( 12) = ( 0.0000000 0.1145833 0.0000000), wk = 0.0022936 k( 13) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0022936 k( 14) = ( 0.0000000 0.1354167 0.0000000), wk = 0.0022936 k( 15) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0022936 k( 16) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0022936 k( 17) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0022936 k( 18) = ( 0.0000000 0.1770833 0.0000000), wk = 0.0022936 k( 19) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0022936 k( 20) = ( 0.0000000 0.1979167 0.0000000), wk = 0.0022936 k( 21) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0022936 k( 22) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0022936 k( 23) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0022936 k( 24) = ( 0.0000000 0.2395833 0.0000000), wk = 0.0022936 k( 25) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0022936 k( 26) = ( 0.0000000 0.2604167 0.0000000), wk = 0.0022936 k( 27) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0022936 k( 28) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0022936 k( 29) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0022936 k( 30) = ( 0.0000000 0.3020833 0.0000000), wk = 0.0022936 k( 31) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0022936 k( 32) = ( 0.0000000 0.3229167 0.0000000), wk = 0.0022936 k( 33) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0022936 k( 34) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0022936 k( 35) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0022936 k( 36) = ( 0.0000000 0.3645833 0.0000000), wk = 0.0022936 k( 37) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0022936 k( 38) = ( 0.0000000 0.3854167 0.0000000), wk = 0.0022936 k( 39) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0022936 k( 40) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0022936 k( 41) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0022936 k( 42) = ( 0.0000000 0.4270833 0.0000000), wk = 0.0022936 k( 43) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0022936 k( 44) = ( 0.0000000 0.4479167 0.0000000), wk = 0.0022936 k( 45) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0022936 k( 46) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0022936 k( 47) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0022936 k( 48) = ( 0.0000000 0.4895833 0.0000000), wk = 0.0022936 k( 49) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 51) = ( 0.0104167 0.5000000 0.0000000), wk = 0.0022936 k( 52) = ( 0.0208333 0.5000000 0.0000000), wk = 0.0022936 k( 53) = ( 0.0312500 0.5000000 0.0000000), wk = 0.0022936 k( 54) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0022936 k( 55) = ( 0.0520833 0.5000000 0.0000000), wk = 0.0022936 k( 56) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0022936 k( 57) = ( 0.0729167 0.5000000 0.0000000), wk = 0.0022936 k( 58) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0022936 k( 59) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0022936 k( 60) = ( 0.1041667 0.5000000 0.0000000), wk = 0.0022936 k( 61) = ( 0.1145833 0.5000000 0.0000000), wk = 0.0022936 k( 62) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0022936 k( 63) = ( 0.1354167 0.5000000 0.0000000), wk = 0.0022936 k( 64) = ( 0.1458333 0.5000000 0.0000000), wk = 0.0022936 k( 65) = ( 0.1562500 0.5000000 0.0000000), wk = 0.0022936 k( 66) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0022936 k( 67) = ( 0.1770833 0.5000000 0.0000000), wk = 0.0022936 k( 68) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0022936 k( 69) = ( 0.1979167 0.5000000 0.0000000), wk = 0.0022936 k( 70) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0022936 k( 71) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0022936 k( 72) = ( 0.2291667 0.5000000 0.0000000), wk = 0.0022936 k( 73) = ( 0.2395833 0.5000000 0.0000000), wk = 0.0022936 k( 74) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0022936 k( 75) = ( 0.2604167 0.5000000 0.0000000), wk = 0.0022936 k( 76) = ( 0.2708333 0.5000000 0.0000000), wk = 0.0022936 k( 77) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0022936 k( 78) = ( 0.2916667 0.5000000 0.0000000), wk = 0.0022936 k( 79) = ( 0.3020833 0.5000000 -0.0000000), wk = 0.0022936 k( 80) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0022936 k( 81) = ( 0.3229167 0.5000000 -0.0000000), wk = 0.0022936 k( 82) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0022936 k( 83) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0022936 k( 84) = ( 0.3541667 0.5000000 0.0000000), wk = 0.0022936 k( 85) = ( 0.3645833 0.5000000 0.0000000), wk = 0.0022936 k( 86) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022936 k( 87) = ( 0.3854167 0.5000000 -0.0000000), wk = 0.0022936 k( 88) = ( 0.3958333 0.5000000 0.0000000), wk = 0.0022936 k( 89) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0022936 k( 90) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0022936 k( 91) = ( 0.4270833 0.5000000 0.0000000), wk = 0.0022936 k( 92) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0022936 k( 93) = ( 0.4479167 0.5000000 0.0000000), wk = 0.0022936 k( 94) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0022936 k( 95) = ( 0.4687500 0.5000000 0.0000000), wk = 0.0022936 k( 96) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0022936 k( 97) = ( 0.4895833 0.5000000 0.0000000), wk = 0.0022936 k( 98) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 99) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 100) = ( 0.4926471 0.4926471 0.0000000), wk = 0.0022936 k( 101) = ( 0.4852941 0.4852941 -0.0000000), wk = 0.0022936 k( 102) = ( 0.4779412 0.4779412 0.0000000), wk = 0.0022936 k( 103) = ( 0.4705882 0.4705882 0.0000000), wk = 0.0022936 k( 104) = ( 0.4632353 0.4632353 0.0000000), wk = 0.0022936 k( 105) = ( 0.4558823 0.4558823 0.0000000), wk = 0.0022936 k( 106) = ( 0.4485294 0.4485294 0.0000000), wk = 0.0022936 k( 107) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0022936 k( 108) = ( 0.4338235 0.4338235 0.0000000), wk = 0.0022936 k( 109) = ( 0.4264706 0.4264706 -0.0000000), wk = 0.0022936 k( 110) = ( 0.4191177 0.4191177 0.0000000), wk = 0.0022936 k( 111) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0022936 k( 112) = ( 0.4044118 0.4044118 0.0000000), wk = 0.0022936 k( 113) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0022936 k( 114) = ( 0.3897059 0.3897059 0.0000000), wk = 0.0022936 k( 115) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0022936 k( 116) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0022936 k( 117) = ( 0.3676471 0.3676471 0.0000000), wk = 0.0022936 k( 118) = ( 0.3602941 0.3602941 0.0000000), wk = 0.0022936 k( 119) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0022936 k( 120) = ( 0.3455882 0.3455882 -0.0000000), wk = 0.0022936 k( 121) = ( 0.3382353 0.3382353 0.0000000), wk = 0.0022936 k( 122) = ( 0.3308823 0.3308823 -0.0000000), wk = 0.0022936 k( 123) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0022936 k( 124) = ( 0.3161765 0.3161765 0.0000000), wk = 0.0022936 k( 125) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0022936 k( 126) = ( 0.3014706 0.3014706 -0.0000000), wk = 0.0022936 k( 127) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0022936 k( 128) = ( 0.2867647 0.2867647 0.0000000), wk = 0.0022936 k( 129) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0022936 k( 130) = ( 0.2720588 0.2720588 0.0000000), wk = 0.0022936 k( 131) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0022936 k( 132) = ( 0.2573529 0.2573529 0.0000000), wk = 0.0022936 k( 133) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022936 k( 134) = ( 0.2426471 0.2426471 -0.0000000), wk = 0.0022936 k( 135) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0022936 k( 136) = ( 0.2279412 0.2279412 0.0000000), wk = 0.0022936 k( 137) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0022936 k( 138) = ( 0.2132353 0.2132353 0.0000000), wk = 0.0022936 k( 139) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0022936 k( 140) = ( 0.1985294 0.1985294 0.0000000), wk = 0.0022936 k( 141) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0022936 k( 142) = ( 0.1838235 0.1838235 0.0000000), wk = 0.0022936 k( 143) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0022936 k( 144) = ( 0.1691177 0.1691177 0.0000000), wk = 0.0022936 k( 145) = ( 0.1617647 0.1617647 0.0000000), wk = 0.0022936 k( 146) = ( 0.1544118 0.1544118 0.0000000), wk = 0.0022936 k( 147) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0022936 k( 148) = ( 0.1397059 0.1397059 -0.0000000), wk = 0.0022936 k( 149) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0022936 k( 150) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0022936 k( 151) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0022936 k( 152) = ( 0.1102941 0.1102941 0.0000000), wk = 0.0022936 k( 153) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0022936 k( 154) = ( 0.0955882 0.0955882 0.0000000), wk = 0.0022936 k( 155) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0022936 k( 156) = ( 0.0808824 0.0808824 -0.0000000), wk = 0.0022936 k( 157) = ( 0.0735294 0.0735294 0.0000000), wk = 0.0022936 k( 158) = ( 0.0661765 0.0661765 0.0000000), wk = 0.0022936 k( 159) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0022936 k( 160) = ( 0.0514706 0.0514706 0.0000000), wk = 0.0022936 k( 161) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0022936 k( 162) = ( 0.0367647 0.0367647 0.0000000), wk = 0.0022936 k( 163) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0022936 k( 164) = ( 0.0220588 0.0220588 0.0000000), wk = 0.0022936 k( 165) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0022936 k( 166) = ( 0.0073529 0.0073529 -0.0000000), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 203) = ( 0.0000000 0.0104167 0.5000000), wk = 0.0022936 k( 204) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0022936 k( 205) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0022936 k( 206) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0022936 k( 207) = ( 0.0000000 0.0520833 0.5000000), wk = 0.0022936 k( 208) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0022936 k( 209) = ( 0.0000000 0.0729167 0.5000000), wk = 0.0022936 k( 210) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0022936 k( 211) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0022936 k( 212) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0022936 k( 213) = ( 0.0000000 0.1145833 0.5000000), wk = 0.0022936 k( 214) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022936 k( 215) = ( 0.0000000 0.1354167 0.5000000), wk = 0.0022936 k( 216) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0022936 k( 217) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0022936 k( 218) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0022936 k( 219) = ( 0.0000000 0.1770833 0.5000000), wk = 0.0022936 k( 220) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0022936 k( 221) = ( 0.0000000 0.1979167 0.5000000), wk = 0.0022936 k( 222) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0022936 k( 223) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0022936 k( 224) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0022936 k( 225) = ( 0.0000000 0.2395833 0.5000000), wk = 0.0022936 k( 226) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022936 k( 227) = ( 0.0000000 0.2604167 0.5000000), wk = 0.0022936 k( 228) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0022936 k( 229) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0022936 k( 230) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0022936 k( 231) = ( 0.0000000 0.3020833 0.5000000), wk = 0.0022936 k( 232) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0022936 k( 233) = ( 0.0000000 0.3229167 0.5000000), wk = 0.0022936 k( 234) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0022936 k( 235) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0022936 k( 236) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0022936 k( 237) = ( 0.0000000 0.3645833 0.5000000), wk = 0.0022936 k( 238) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022936 k( 239) = ( 0.0000000 0.3854167 0.5000000), wk = 0.0022936 k( 240) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0022936 k( 241) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0022936 k( 242) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0022936 k( 243) = ( 0.0000000 0.4270833 0.5000000), wk = 0.0022936 k( 244) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0022936 k( 245) = ( 0.0000000 0.4479167 0.5000000), wk = 0.0022936 k( 246) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0022936 k( 247) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0022936 k( 248) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0022936 k( 249) = ( 0.0000000 0.4895833 0.5000000), wk = 0.0022936 k( 250) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 251) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 252) = ( 0.0104167 0.5000000 0.5000000), wk = 0.0022936 k( 253) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0022936 k( 254) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0022936 k( 255) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0022936 k( 256) = ( 0.0520833 0.5000000 0.5000000), wk = 0.0022936 k( 257) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0022936 k( 258) = ( 0.0729167 0.5000000 0.5000000), wk = 0.0022936 k( 259) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0022936 k( 260) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0022936 k( 261) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0022936 k( 262) = ( 0.1145833 0.5000000 0.5000000), wk = 0.0022936 k( 263) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022936 k( 264) = ( 0.1354167 0.5000000 0.5000000), wk = 0.0022936 k( 265) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0022936 k( 266) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0022936 k( 267) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022936 k( 268) = ( 0.1770833 0.5000000 0.5000000), wk = 0.0022936 k( 269) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0022936 k( 270) = ( 0.1979167 0.5000000 0.5000000), wk = 0.0022936 k( 271) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0022936 k( 272) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0022936 k( 273) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0022936 k( 274) = ( 0.2395833 0.5000000 0.5000000), wk = 0.0022936 k( 275) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022936 k( 276) = ( 0.2604167 0.5000000 0.5000000), wk = 0.0022936 k( 277) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0022936 k( 278) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0022936 k( 279) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0022936 k( 280) = ( 0.3020833 0.5000000 0.5000000), wk = 0.0022936 k( 281) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0022936 k( 282) = ( 0.3229167 0.5000000 0.5000000), wk = 0.0022936 k( 283) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022936 k( 284) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0022936 k( 285) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0022936 k( 286) = ( 0.3645833 0.5000000 0.5000000), wk = 0.0022936 k( 287) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022936 k( 288) = ( 0.3854167 0.5000000 0.5000000), wk = 0.0022936 k( 289) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0022936 k( 290) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0022936 k( 291) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0022936 k( 292) = ( 0.4270833 0.5000000 0.5000000), wk = 0.0022936 k( 293) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0022936 k( 294) = ( 0.4479167 0.5000000 0.5000000), wk = 0.0022936 k( 295) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0022936 k( 296) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0022936 k( 297) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0022936 k( 298) = ( 0.4895833 0.5000000 0.5000000), wk = 0.0022936 k( 299) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 301) = ( 0.4926471 0.4926471 0.5000000), wk = 0.0022936 k( 302) = ( 0.4852941 0.4852941 0.5000000), wk = 0.0022936 k( 303) = ( 0.4779412 0.4779412 0.5000000), wk = 0.0022936 k( 304) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0022936 k( 305) = ( 0.4632353 0.4632353 0.5000000), wk = 0.0022936 k( 306) = ( 0.4558823 0.4558823 0.5000000), wk = 0.0022936 k( 307) = ( 0.4485294 0.4485294 0.5000000), wk = 0.0022936 k( 308) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0022936 k( 309) = ( 0.4338235 0.4338235 0.5000000), wk = 0.0022936 k( 310) = ( 0.4264706 0.4264706 0.5000000), wk = 0.0022936 k( 311) = ( 0.4191177 0.4191177 0.5000000), wk = 0.0022936 k( 312) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0022936 k( 313) = ( 0.4044118 0.4044118 0.5000000), wk = 0.0022936 k( 314) = ( 0.3970588 0.3970588 0.5000000), wk = 0.0022936 k( 315) = ( 0.3897059 0.3897059 0.5000000), wk = 0.0022936 k( 316) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0022936 k( 317) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0022936 k( 318) = ( 0.3676471 0.3676471 0.5000000), wk = 0.0022936 k( 319) = ( 0.3602941 0.3602941 0.5000000), wk = 0.0022936 k( 320) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0022936 k( 321) = ( 0.3455882 0.3455882 0.5000000), wk = 0.0022936 k( 322) = ( 0.3382353 0.3382353 0.5000000), wk = 0.0022936 k( 323) = ( 0.3308823 0.3308823 0.5000000), wk = 0.0022936 k( 324) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0022936 k( 325) = ( 0.3161765 0.3161765 0.5000000), wk = 0.0022936 k( 326) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0022936 k( 327) = ( 0.3014706 0.3014706 0.5000000), wk = 0.0022936 k( 328) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0022936 k( 329) = ( 0.2867647 0.2867647 0.5000000), wk = 0.0022936 k( 330) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0022936 k( 331) = ( 0.2720588 0.2720588 0.5000000), wk = 0.0022936 k( 332) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0022936 k( 333) = ( 0.2573529 0.2573529 0.5000000), wk = 0.0022936 k( 334) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022936 k( 335) = ( 0.2426471 0.2426471 0.5000000), wk = 0.0022936 k( 336) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0022936 k( 337) = ( 0.2279412 0.2279412 0.5000000), wk = 0.0022936 k( 338) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0022936 k( 339) = ( 0.2132353 0.2132353 0.5000000), wk = 0.0022936 k( 340) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0022936 k( 341) = ( 0.1985294 0.1985294 0.5000000), wk = 0.0022936 k( 342) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0022936 k( 343) = ( 0.1838235 0.1838235 0.5000000), wk = 0.0022936 k( 344) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0022936 k( 345) = ( 0.1691177 0.1691177 0.5000000), wk = 0.0022936 k( 346) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0022936 k( 347) = ( 0.1544118 0.1544118 0.5000000), wk = 0.0022936 k( 348) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0022936 k( 349) = ( 0.1397059 0.1397059 0.5000000), wk = 0.0022936 k( 350) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0022936 k( 351) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0022936 k( 352) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0022936 k( 353) = ( 0.1102941 0.1102941 0.5000000), wk = 0.0022936 k( 354) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0022936 k( 355) = ( 0.0955882 0.0955882 0.5000000), wk = 0.0022936 k( 356) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0022936 k( 357) = ( 0.0808824 0.0808824 0.5000000), wk = 0.0022936 k( 358) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0022936 k( 359) = ( 0.0661765 0.0661765 0.5000000), wk = 0.0022936 k( 360) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0022936 k( 361) = ( 0.0514706 0.0514706 0.5000000), wk = 0.0022936 k( 362) = ( 0.0441177 0.0441177 0.5000000), wk = 0.0022936 k( 363) = ( 0.0367647 0.0367647 0.5000000), wk = 0.0022936 k( 364) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0022936 k( 365) = ( 0.0220588 0.0220588 0.5000000), wk = 0.0022936 k( 366) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0022936 k( 367) = ( 0.0073529 0.0073529 0.5000000), wk = 0.0022936 k( 368) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 369) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 370) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0022936 k( 371) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0022936 k( 372) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0022936 k( 373) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0022936 k( 374) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0022936 k( 375) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0022936 k( 376) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0022936 k( 377) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0022936 k( 378) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0022936 k( 379) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0022936 k( 380) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022936 k( 381) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0022936 k( 382) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0022936 k( 383) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0022936 k( 384) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0022936 k( 385) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0022936 k( 386) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0022936 k( 387) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0022936 k( 388) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0022936 k( 389) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0022936 k( 390) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0022936 k( 391) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022936 k( 392) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0022936 k( 393) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0022936 k( 394) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0022936 k( 395) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0022936 k( 396) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0022936 k( 397) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0022936 k( 398) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0022936 k( 399) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0022936 k( 400) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0022936 k( 401) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0022936 k( 402) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 403) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 404) = ( 0.5000000 0.5000000 0.0151515), wk = 0.0022936 k( 405) = ( 0.5000000 0.5000000 0.0303030), wk = 0.0022936 k( 406) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0022936 k( 407) = ( 0.5000000 0.5000000 0.0606061), wk = 0.0022936 k( 408) = ( 0.5000000 0.5000000 0.0757576), wk = 0.0022936 k( 409) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0022936 k( 410) = ( 0.5000000 0.5000000 0.1060606), wk = 0.0022936 k( 411) = ( 0.5000000 0.5000000 0.1212121), wk = 0.0022936 k( 412) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0022936 k( 413) = ( 0.5000000 0.5000000 0.1515151), wk = 0.0022936 k( 414) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0022936 k( 415) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0022936 k( 416) = ( 0.5000000 0.5000000 0.1969697), wk = 0.0022936 k( 417) = ( 0.5000000 0.5000000 0.2121212), wk = 0.0022936 k( 418) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0022936 k( 419) = ( 0.5000000 0.5000000 0.2424242), wk = 0.0022936 k( 420) = ( 0.5000000 0.5000000 0.2575758), wk = 0.0022936 k( 421) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0022936 k( 422) = ( 0.5000000 0.5000000 0.2878788), wk = 0.0022936 k( 423) = ( 0.5000000 0.5000000 0.3030303), wk = 0.0022936 k( 424) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0022936 k( 425) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0022936 k( 426) = ( 0.5000000 0.5000000 0.3484849), wk = 0.0022936 k( 427) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0022936 k( 428) = ( 0.5000000 0.5000000 0.3787879), wk = 0.0022936 k( 429) = ( 0.5000000 0.5000000 0.3939394), wk = 0.0022936 k( 430) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0022936 k( 431) = ( 0.5000000 0.5000000 0.4242424), wk = 0.0022936 k( 432) = ( 0.5000000 0.5000000 0.4393939), wk = 0.0022936 k( 433) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0022936 k( 434) = ( 0.5000000 0.5000000 0.4696970), wk = 0.0022936 k( 435) = ( 0.5000000 0.5000000 0.4848485), wk = 0.0022936 k( 436) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022936 Dense grid: 26291 G-vectors FFT dimensions: ( 36, 36, 48) Smooth grid: 14975 G-vectors FFT dimensions: ( 27, 27, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 86, 34) NL pseudopotentials 0.05 Mb ( 43, 72) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 549) G-vector shells 0.00 Mb ( 276) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 86, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.07 Mb ( 72, 2, 34) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ZrH.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.8 secs Computing kpt #: 2 total cpu time spent up to now is 40.2 secs Computing kpt #: 3 total cpu time spent up to now is 40.6 secs Computing kpt #: 4 total cpu time spent up to now is 41.0 secs Computing kpt #: 5 total cpu time spent up to now is 41.5 secs Computing kpt #: 6 total cpu time spent up to now is 41.9 secs Computing kpt #: 7 total cpu time spent up to now is 42.3 secs Computing kpt #: 8 total cpu time spent up to now is 42.7 secs Computing kpt #: 9 total cpu time spent up to now is 43.2 secs Computing kpt #: 10 total cpu time spent up to now is 43.6 secs Computing kpt #: 11 total cpu time spent up to now is 44.1 secs Computing kpt #: 12 total cpu time spent up to now is 44.5 secs Computing kpt #: 13 total cpu time spent up to now is 45.0 secs Computing kpt #: 14 total cpu time spent up to now is 45.5 secs Computing kpt #: 15 total cpu time spent up to now is 45.9 secs Computing kpt #: 16 total cpu time spent up to now is 46.4 secs Computing kpt #: 17 total cpu time spent up to now is 46.9 secs Computing kpt #: 18 total cpu time spent up to now is 47.3 secs Computing kpt #: 19 total cpu time spent up to now is 47.9 secs Computing kpt #: 20 total cpu time spent up to now is 48.4 secs Computing kpt #: 21 total cpu time spent up to now is 48.9 secs Computing kpt #: 22 total cpu time spent up to now is 49.4 secs Computing kpt #: 23 total cpu time spent up to now is 50.0 secs Computing kpt #: 24 total cpu time spent up to now is 50.8 secs Computing kpt #: 25 total cpu time spent up to now is 51.3 secs Computing kpt #: 26 total cpu time spent up to now is 51.8 secs Computing kpt #: 27 total cpu time spent up to now is 52.3 secs Computing kpt #: 28 total cpu time spent up to now is 52.8 secs Computing kpt #: 29 total cpu time spent up to now is 53.3 secs Computing kpt #: 30 total cpu time spent up to now is 53.8 secs Computing kpt #: 31 total cpu time spent up to now is 54.5 secs Computing kpt #: 32 total cpu time spent up to now is 54.9 secs Computing kpt #: 33 total cpu time spent up to now is 55.4 secs Computing kpt #: 34 total cpu time spent up to now is 55.9 secs Computing kpt #: 35 total cpu time spent up to now is 56.3 secs Computing kpt #: 36 total cpu time spent up to now is 56.7 secs Computing kpt #: 37 total cpu time spent up to now is 57.1 secs Computing kpt #: 38 total cpu time spent up to now is 57.6 secs Computing kpt #: 39 total cpu time spent up to now is 58.0 secs Computing kpt #: 40 total cpu time spent up to now is 58.4 secs Computing kpt #: 41 total cpu time spent up to now is 58.8 secs Computing kpt #: 42 total cpu time spent up to now is 59.3 secs Computing kpt #: 43 total cpu time spent up to now is 59.8 secs Computing kpt #: 44 total cpu time spent up to now is 60.3 secs Computing kpt #: 45 total cpu time spent up to now is 60.8 secs Computing kpt #: 46 total cpu time spent up to now is 61.3 secs Computing kpt #: 47 total cpu time spent up to now is 61.8 secs Computing kpt #: 48 total cpu time spent up to now is 62.2 secs Computing kpt #: 49 total cpu time spent up to now is 62.7 secs Computing kpt #: 50 total cpu time spent up to now is 63.2 secs Computing kpt #: 51 total cpu time spent up to now is 63.6 secs Computing kpt #: 52 total cpu time spent up to now is 64.1 secs Computing kpt #: 53 total cpu time spent up to now is 64.6 secs Computing kpt #: 54 total cpu time spent up to now is 65.1 secs Computing kpt #: 55 total cpu time spent up to now is 65.5 secs Computing kpt #: 56 total cpu time spent up to now is 66.0 secs Computing kpt #: 57 total cpu time spent up to now is 66.5 secs Computing kpt #: 58 total cpu time spent up to now is 67.0 secs Computing kpt #: 59 total cpu time spent up to now is 67.4 secs Computing kpt #: 60 total cpu time spent up to now is 67.9 secs Computing kpt #: 61 total cpu time spent up to now is 68.3 secs Computing kpt #: 62 total cpu time spent up to now is 68.8 secs Computing kpt #: 63 total cpu time spent up to now is 69.3 secs Computing kpt #: 64 total cpu time spent up to now is 69.8 secs Computing kpt #: 65 total cpu time spent up to now is 70.2 secs Computing kpt #: 66 total cpu time spent up to now is 70.6 secs Computing kpt #: 67 total cpu time spent up to now is 71.1 secs Computing kpt #: 68 total cpu time spent up to now is 71.6 secs Computing kpt #: 69 total cpu time spent up to now is 72.1 secs Computing kpt #: 70 total cpu time spent up to now is 72.7 secs Computing kpt #: 71 total cpu time spent up to now is 73.2 secs Computing kpt #: 72 total cpu time spent up to now is 73.7 secs Computing kpt #: 73 total cpu time spent up to now is 74.2 secs Computing kpt #: 74 total cpu time spent up to now is 74.7 secs Computing kpt #: 75 total cpu time spent up to now is 75.2 secs Computing kpt #: 76 total cpu time spent up to now is 75.7 secs Computing kpt #: 77 total cpu time spent up to now is 76.2 secs Computing kpt #: 78 total cpu time spent up to now is 76.8 secs Computing kpt #: 79 total cpu time spent up to now is 77.3 secs Computing kpt #: 80 total cpu time spent up to now is 77.8 secs Computing kpt #: 81 total cpu time spent up to now is 78.3 secs Computing kpt #: 82 total cpu time spent up to now is 78.8 secs Computing kpt #: 83 total cpu time spent up to now is 79.4 secs Computing kpt #: 84 total cpu time spent up to now is 80.0 secs Computing kpt #: 85 total cpu time spent up to now is 80.5 secs Computing kpt #: 86 total cpu time spent up to now is 81.1 secs Computing kpt #: 87 total cpu time spent up to now is 81.6 secs Computing kpt #: 88 total cpu time spent up to now is 82.3 secs Computing kpt #: 89 total cpu time spent up to now is 82.8 secs Computing kpt #: 90 total cpu time spent up to now is 83.6 secs Computing kpt #: 91 total cpu time spent up to now is 84.1 secs Computing kpt #: 92 total cpu time spent up to now is 84.8 secs Computing kpt #: 93 total cpu time spent up to now is 85.3 secs Computing kpt #: 94 total cpu time spent up to now is 85.9 secs Computing kpt #: 95 total cpu time spent up to now is 86.5 secs Computing kpt #: 96 total cpu time spent up to now is 87.0 secs Computing kpt #: 97 total cpu time spent up to now is 87.6 secs Computing kpt #: 98 total cpu time spent up to now is 88.1 secs Computing kpt #: 99 total cpu time spent up to now is 88.6 secs Computing kpt #: 100 total cpu time spent up to now is 89.1 secs Computing kpt #: 101 total cpu time spent up to now is 89.6 secs Computing kpt #: 102 total cpu time spent up to now is 90.3 secs Computing kpt #: 103 total cpu time spent up to now is 91.0 secs Computing kpt #: 104 total cpu time spent up to now is 91.5 secs Computing kpt #: 105 total cpu time spent up to now is 92.0 secs Computing kpt #: 106 total cpu time spent up to now is 92.6 secs Computing kpt #: 107 total cpu time spent up to now is 93.1 secs Computing kpt #: 108 total cpu time spent up to now is 93.7 secs Computing kpt #: 109 total cpu time spent up to now is 94.5 secs Computing kpt #: 110 total cpu time spent up to now is 95.0 secs Computing kpt #: 111 total cpu time spent up to now is 95.6 secs Computing kpt #: 112 total cpu time spent up to now is 96.2 secs Computing kpt #: 113 total cpu time spent up to now is 96.7 secs Computing kpt #: 114 total cpu time spent up to now is 97.3 secs Computing kpt #: 115 total cpu time spent up to now is 97.9 secs Computing kpt #: 116 total cpu time spent up to now is 98.4 secs Computing kpt #: 117 total cpu time spent up to now is 98.9 secs Computing kpt #: 118 total cpu time spent up to now is 99.4 secs Computing kpt #: 119 total cpu time spent up to now is 99.9 secs Computing kpt #: 120 total cpu time spent up to now is 100.4 secs Computing kpt #: 121 total cpu time spent up to now is 100.9 secs Computing kpt #: 122 total cpu time spent up to now is 101.3 secs Computing kpt #: 123 total cpu time spent up to now is 101.9 secs Computing kpt #: 124 total cpu time spent up to now is 102.4 secs Computing kpt #: 125 total cpu time spent up to now is 102.8 secs Computing kpt #: 126 total cpu time spent up to now is 103.3 secs Computing kpt #: 127 total cpu time spent up to now is 103.8 secs Computing kpt #: 128 total cpu time spent up to now is 104.2 secs Computing kpt #: 129 total cpu time spent up to now is 104.6 secs Computing kpt #: 130 total cpu time spent up to now is 105.0 secs Computing kpt #: 131 total cpu time spent up to now is 105.4 secs Computing kpt #: 132 total cpu time spent up to now is 105.9 secs Computing kpt #: 133 total cpu time spent up to now is 106.3 secs Computing kpt #: 134 total cpu time spent up to now is 106.7 secs Computing kpt #: 135 total cpu time spent up to now is 107.1 secs Computing kpt #: 136 total cpu time spent up to now is 107.5 secs Computing kpt #: 137 total cpu time spent up to now is 107.9 secs Computing kpt #: 138 total cpu time spent up to now is 108.4 secs Computing kpt #: 139 total cpu time spent up to now is 108.9 secs Computing kpt #: 140 total cpu time spent up to now is 109.4 secs Computing kpt #: 141 total cpu time spent up to now is 109.8 secs Computing kpt #: 142 total cpu time spent up to now is 110.3 secs Computing kpt #: 143 total cpu time spent up to now is 110.7 secs Computing kpt #: 144 total cpu time spent up to now is 111.2 secs Computing kpt #: 145 total cpu time spent up to now is 111.7 secs Computing kpt #: 146 total cpu time spent up to now is 112.2 secs Computing kpt #: 147 total cpu time spent up to now is 112.7 secs Computing kpt #: 148 total cpu time spent up to now is 113.3 secs Computing kpt #: 149 total cpu time spent up to now is 113.9 secs Computing kpt #: 150 total cpu time spent up to now is 114.4 secs Computing kpt #: 151 total cpu time spent up to now is 114.9 secs Computing kpt #: 152 total cpu time spent up to now is 115.5 secs Computing kpt #: 153 total cpu time spent up to now is 115.9 secs Computing kpt #: 154 total cpu time spent up to now is 116.4 secs Computing kpt #: 155 total cpu time spent up to now is 116.9 secs Computing kpt #: 156 total cpu time spent up to now is 117.3 secs Computing kpt #: 157 total cpu time spent up to now is 117.8 secs Computing kpt #: 158 total cpu time spent up to now is 118.2 secs Computing kpt #: 159 total cpu time spent up to now is 118.6 secs Computing kpt #: 160 total cpu time spent up to now is 119.1 secs Computing kpt #: 161 total cpu time spent up to now is 119.5 secs Computing kpt #: 162 total cpu time spent up to now is 120.0 secs Computing kpt #: 163 total cpu time spent up to now is 120.5 secs Computing kpt #: 164 total cpu time spent up to now is 120.9 secs Computing kpt #: 165 total cpu time spent up to now is 121.3 secs Computing kpt #: 166 total cpu time spent up to now is 121.7 secs Computing kpt #: 167 total cpu time spent up to now is 122.1 secs Computing kpt #: 168 total cpu time spent up to now is 122.5 secs Computing kpt #: 169 total cpu time spent up to now is 122.9 secs Computing kpt #: 170 total cpu time spent up to now is 123.3 secs Computing kpt #: 171 total cpu time spent up to now is 123.7 secs Computing kpt #: 172 total cpu time spent up to now is 124.1 secs Computing kpt #: 173 total cpu time spent up to now is 124.5 secs Computing kpt #: 174 total cpu time spent up to now is 124.9 secs Computing kpt #: 175 total cpu time spent up to now is 125.3 secs Computing kpt #: 176 total cpu time spent up to now is 125.8 secs Computing kpt #: 177 total cpu time spent up to now is 126.3 secs Computing kpt #: 178 total cpu time spent up to now is 126.7 secs Computing kpt #: 179 total cpu time spent up to now is 127.1 secs Computing kpt #: 180 total cpu time spent up to now is 127.6 secs Computing kpt #: 181 total cpu time spent up to now is 128.0 secs Computing kpt #: 182 total cpu time spent up to now is 128.5 secs Computing kpt #: 183 total cpu time spent up to now is 129.0 secs Computing kpt #: 184 total cpu time spent up to now is 129.8 secs Computing kpt #: 185 total cpu time spent up to now is 130.3 secs Computing kpt #: 186 total cpu time spent up to now is 130.8 secs Computing kpt #: 187 total cpu time spent up to now is 131.4 secs Computing kpt #: 188 total cpu time spent up to now is 132.2 secs Computing kpt #: 189 total cpu time spent up to now is 132.7 secs Computing kpt #: 190 total cpu time spent up to now is 133.3 secs Computing kpt #: 191 total cpu time spent up to now is 133.8 secs Computing kpt #: 192 total cpu time spent up to now is 134.3 secs Computing kpt #: 193 total cpu time spent up to now is 134.9 secs Computing kpt #: 194 total cpu time spent up to now is 135.3 secs Computing kpt #: 195 total cpu time spent up to now is 135.8 secs Computing kpt #: 196 total cpu time spent up to now is 136.4 secs Computing kpt #: 197 total cpu time spent up to now is 136.9 secs Computing kpt #: 198 total cpu time spent up to now is 137.4 secs Computing kpt #: 199 total cpu time spent up to now is 137.9 secs Computing kpt #: 200 total cpu time spent up to now is 138.4 secs Computing kpt #: 201 total cpu time spent up to now is 138.9 secs Computing kpt #: 202 total cpu time spent up to now is 139.3 secs Computing kpt #: 203 total cpu time spent up to now is 139.8 secs Computing kpt #: 204 total cpu time spent up to now is 140.3 secs Computing kpt #: 205 total cpu time spent up to now is 140.9 secs Computing kpt #: 206 total cpu time spent up to now is 141.4 secs Computing kpt #: 207 total cpu time spent up to now is 141.9 secs Computing kpt #: 208 total cpu time spent up to now is 142.4 secs Computing kpt #: 209 total cpu time spent up to now is 142.9 secs Computing kpt #: 210 total cpu time spent up to now is 143.4 secs Computing kpt #: 211 total cpu time spent up to now is 143.9 secs Computing kpt #: 212 total cpu time spent up to now is 144.5 secs Computing kpt #: 213 total cpu time spent up to now is 145.0 secs Computing kpt #: 214 total cpu time spent up to now is 145.6 secs Computing kpt #: 215 total cpu time spent up to now is 146.1 secs Computing kpt #: 216 total cpu time spent up to now is 146.6 secs Computing kpt #: 217 total cpu time spent up to now is 147.1 secs Computing kpt #: 218 total cpu time spent up to now is 147.6 secs Computing kpt #: 219 total cpu time spent up to now is 148.1 secs Computing kpt #: 220 total cpu time spent up to now is 148.7 secs Computing kpt #: 221 total cpu time spent up to now is 149.2 secs Computing kpt #: 222 total cpu time spent up to now is 149.8 secs Computing kpt #: 223 total cpu time spent up to now is 150.5 secs Computing kpt #: 224 total cpu time spent up to now is 151.0 secs Computing kpt #: 225 total cpu time spent up to now is 151.6 secs Computing kpt #: 226 total cpu time spent up to now is 152.1 secs Computing kpt #: 227 total cpu time spent up to now is 152.7 secs Computing kpt #: 228 total cpu time spent up to now is 153.2 secs Computing kpt #: 229 total cpu time spent up to now is 153.8 secs Computing kpt #: 230 total cpu time spent up to now is 154.3 secs Computing kpt #: 231 total cpu time spent up to now is 155.0 secs Computing kpt #: 232 total cpu time spent up to now is 155.5 secs Computing kpt #: 233 total cpu time spent up to now is 156.3 secs Computing kpt #: 234 total cpu time spent up to now is 157.1 secs Computing kpt #: 235 total cpu time spent up to now is 157.8 secs Computing kpt #: 236 total cpu time spent up to now is 158.6 secs Computing kpt #: 237 total cpu time spent up to now is 159.5 secs Computing kpt #: 238 total cpu time spent up to now is 160.4 secs Computing kpt #: 239 total cpu time spent up to now is 161.4 secs Computing kpt #: 240 total cpu time spent up to now is 162.6 secs Computing kpt #: 241 total cpu time spent up to now is 163.7 secs Computing kpt #: 242 total cpu time spent up to now is 164.5 secs Computing kpt #: 243 total cpu time spent up to now is 165.2 secs Computing kpt #: 244 total cpu time spent up to now is 165.8 secs Computing kpt #: 245 total cpu time spent up to now is 166.4 secs Computing kpt #: 246 total cpu time spent up to now is 167.0 secs Computing kpt #: 247 total cpu time spent up to now is 167.6 secs Computing kpt #: 248 total cpu time spent up to now is 168.2 secs Computing kpt #: 249 total cpu time spent up to now is 168.8 secs Computing kpt #: 250 total cpu time spent up to now is 169.4 secs Computing kpt #: 251 total cpu time spent up to now is 169.9 secs Computing kpt #: 252 total cpu time spent up to now is 170.5 secs Computing kpt #: 253 total cpu time spent up to now is 171.1 secs Computing kpt #: 254 total cpu time spent up to now is 171.6 secs Computing kpt #: 255 total cpu time spent up to now is 172.2 secs Computing kpt #: 256 total cpu time spent up to now is 172.8 secs Computing kpt #: 257 total cpu time spent up to now is 173.4 secs Computing kpt #: 258 total cpu time spent up to now is 174.2 secs Computing kpt #: 259 total cpu time spent up to now is 175.0 secs Computing kpt #: 260 total cpu time spent up to now is 175.8 secs Computing kpt #: 261 total cpu time spent up to now is 176.7 secs Computing kpt #: 262 total cpu time spent up to now is 177.8 secs Computing kpt #: 263 total cpu time spent up to now is 178.7 secs Computing kpt #: 264 total cpu time spent up to now is 179.5 secs Computing kpt #: 265 total cpu time spent up to now is 180.2 secs Computing kpt #: 266 total cpu time spent up to now is 181.0 secs Computing kpt #: 267 total cpu time spent up to now is 181.6 secs Computing kpt #: 268 total cpu time spent up to now is 182.4 secs Computing kpt #: 269 total cpu time spent up to now is 183.2 secs Computing kpt #: 270 total cpu time spent up to now is 183.8 secs Computing kpt #: 271 total cpu time spent up to now is 184.5 secs Computing kpt #: 272 total cpu time spent up to now is 185.2 secs Computing kpt #: 273 total cpu time spent up to now is 185.7 secs Computing kpt #: 274 total cpu time spent up to now is 186.3 secs Computing kpt #: 275 total cpu time spent up to now is 186.9 secs Computing kpt #: 276 total cpu time spent up to now is 187.4 secs Computing kpt #: 277 total cpu time spent up to now is 187.9 secs Computing kpt #: 278 total cpu time spent up to now is 188.5 secs Computing kpt #: 279 total cpu time spent up to now is 189.0 secs Computing kpt #: 280 total cpu time spent up to now is 189.7 secs Computing kpt #: 281 total cpu time spent up to now is 190.2 secs Computing kpt #: 282 total cpu time spent up to now is 190.7 secs Computing kpt #: 283 total cpu time spent up to now is 191.2 secs Computing kpt #: 284 total cpu time spent up to now is 191.8 secs Computing kpt #: 285 total cpu time spent up to now is 192.3 secs Computing kpt #: 286 total cpu time spent up to now is 192.9 secs Computing kpt #: 287 total cpu time spent up to now is 193.4 secs Computing kpt #: 288 total cpu time spent up to now is 193.9 secs Computing kpt #: 289 total cpu time spent up to now is 194.4 secs Computing kpt #: 290 total cpu time spent up to now is 195.0 secs Computing kpt #: 291 total cpu time spent up to now is 195.6 secs Computing kpt #: 292 total cpu time spent up to now is 196.2 secs Computing kpt #: 293 total cpu time spent up to now is 196.7 secs Computing kpt #: 294 total cpu time spent up to now is 197.3 secs Computing kpt #: 295 total cpu time spent up to now is 198.0 secs Computing kpt #: 296 total cpu time spent up to now is 198.7 secs Computing kpt #: 297 total cpu time spent up to now is 199.4 secs Computing kpt #: 298 total cpu time spent up to now is 200.4 secs Computing kpt #: 299 total cpu time spent up to now is 200.8 secs Computing kpt #: 300 total cpu time spent up to now is 201.2 secs Computing kpt #: 301 total cpu time spent up to now is 202.1 secs Computing kpt #: 302 total cpu time spent up to now is 202.9 secs Computing kpt #: 303 total cpu time spent up to now is 203.6 secs Computing kpt #: 304 total cpu time spent up to now is 204.3 secs Computing kpt #: 305 total cpu time spent up to now is 205.1 secs Computing kpt #: 306 total cpu time spent up to now is 205.8 secs Computing kpt #: 307 total cpu time spent up to now is 206.5 secs Computing kpt #: 308 total cpu time spent up to now is 207.2 secs Computing kpt #: 309 total cpu time spent up to now is 207.9 secs Computing kpt #: 310 total cpu time spent up to now is 208.6 secs Computing kpt #: 311 total cpu time spent up to now is 209.3 secs Computing kpt #: 312 total cpu time spent up to now is 210.0 secs Computing kpt #: 313 total cpu time spent up to now is 210.7 secs Computing kpt #: 314 total cpu time spent up to now is 211.4 secs Computing kpt #: 315 total cpu time spent up to now is 212.2 secs Computing kpt #: 316 total cpu time spent up to now is 212.9 secs Computing kpt #: 317 total cpu time spent up to now is 213.6 secs Computing kpt #: 318 total cpu time spent up to now is 214.3 secs Computing kpt #: 319 total cpu time spent up to now is 215.1 secs Computing kpt #: 320 total cpu time spent up to now is 215.8 secs Computing kpt #: 321 total cpu time spent up to now is 216.6 secs Computing kpt #: 322 total cpu time spent up to now is 217.1 secs Computing kpt #: 323 total cpu time spent up to now is 217.9 secs Computing kpt #: 324 total cpu time spent up to now is 218.7 secs Computing kpt #: 325 total cpu time spent up to now is 219.2 secs Computing kpt #: 326 total cpu time spent up to now is 220.0 secs Computing kpt #: 327 total cpu time spent up to now is 220.7 secs Computing kpt #: 328 total cpu time spent up to now is 221.4 secs Computing kpt #: 329 total cpu time spent up to now is 222.1 secs Computing kpt #: 330 total cpu time spent up to now is 222.8 secs Computing kpt #: 331 total cpu time spent up to now is 223.4 secs Computing kpt #: 332 total cpu time spent up to now is 224.0 secs Computing kpt #: 333 total cpu time spent up to now is 224.6 secs Computing kpt #: 334 total cpu time spent up to now is 225.2 secs Computing kpt #: 335 total cpu time spent up to now is 225.7 secs Computing kpt #: 336 total cpu time spent up to now is 226.2 secs Computing kpt #: 337 total cpu time spent up to now is 226.8 secs Computing kpt #: 338 total cpu time spent up to now is 227.3 secs Computing kpt #: 339 total cpu time spent up to now is 227.8 secs Computing kpt #: 340 total cpu time spent up to now is 228.4 secs Computing kpt #: 341 total cpu time spent up to now is 229.0 secs Computing kpt #: 342 total cpu time spent up to now is 229.6 secs Computing kpt #: 343 total cpu time spent up to now is 230.1 secs Computing kpt #: 344 total cpu time spent up to now is 230.6 secs Computing kpt #: 345 total cpu time spent up to now is 231.2 secs Computing kpt #: 346 total cpu time spent up to now is 231.7 secs Computing kpt #: 347 total cpu time spent up to now is 232.2 secs Computing kpt #: 348 total cpu time spent up to now is 232.8 secs Computing kpt #: 349 total cpu time spent up to now is 233.3 secs Computing kpt #: 350 total cpu time spent up to now is 233.9 secs Computing kpt #: 351 total cpu time spent up to now is 234.5 secs Computing kpt #: 352 total cpu time spent up to now is 235.1 secs Computing kpt #: 353 total cpu time spent up to now is 235.6 secs Computing kpt #: 354 total cpu time spent up to now is 236.2 secs Computing kpt #: 355 total cpu time spent up to now is 236.7 secs Computing kpt #: 356 total cpu time spent up to now is 237.2 secs Computing kpt #: 357 total cpu time spent up to now is 237.8 secs Computing kpt #: 358 total cpu time spent up to now is 238.3 secs Computing kpt #: 359 total cpu time spent up to now is 238.8 secs Computing kpt #: 360 total cpu time spent up to now is 239.4 secs Computing kpt #: 361 total cpu time spent up to now is 239.9 secs Computing kpt #: 362 total cpu time spent up to now is 240.5 secs Computing kpt #: 363 total cpu time spent up to now is 241.0 secs Computing kpt #: 364 total cpu time spent up to now is 241.6 secs Computing kpt #: 365 total cpu time spent up to now is 242.1 secs Computing kpt #: 366 total cpu time spent up to now is 242.6 secs Computing kpt #: 367 total cpu time spent up to now is 243.2 secs Computing kpt #: 368 total cpu time spent up to now is 243.6 secs Computing kpt #: 369 total cpu time spent up to now is 244.1 secs Computing kpt #: 370 total cpu time spent up to now is 244.5 secs Computing kpt #: 371 total cpu time spent up to now is 245.0 secs Computing kpt #: 372 total cpu time spent up to now is 245.5 secs Computing kpt #: 373 total cpu time spent up to now is 246.0 secs Computing kpt #: 374 total cpu time spent up to now is 246.5 secs Computing kpt #: 375 total cpu time spent up to now is 247.0 secs Computing kpt #: 376 total cpu time spent up to now is 247.5 secs Computing kpt #: 377 total cpu time spent up to now is 248.0 secs Computing kpt #: 378 total cpu time spent up to now is 248.5 secs Computing kpt #: 379 total cpu time spent up to now is 249.0 secs Computing kpt #: 380 total cpu time spent up to now is 249.5 secs Computing kpt #: 381 total cpu time spent up to now is 249.9 secs Computing kpt #: 382 total cpu time spent up to now is 250.4 secs Computing kpt #: 383 total cpu time spent up to now is 250.9 secs Computing kpt #: 384 total cpu time spent up to now is 251.4 secs Computing kpt #: 385 total cpu time spent up to now is 251.9 secs Computing kpt #: 386 total cpu time spent up to now is 252.5 secs Computing kpt #: 387 total cpu time spent up to now is 253.2 secs Computing kpt #: 388 total cpu time spent up to now is 253.7 secs Computing kpt #: 389 total cpu time spent up to now is 254.2 secs Computing kpt #: 390 total cpu time spent up to now is 254.8 secs Computing kpt #: 391 total cpu time spent up to now is 255.3 secs Computing kpt #: 392 total cpu time spent up to now is 255.9 secs Computing kpt #: 393 total cpu time spent up to now is 256.5 secs Computing kpt #: 394 total cpu time spent up to now is 257.0 secs Computing kpt #: 395 total cpu time spent up to now is 257.6 secs Computing kpt #: 396 total cpu time spent up to now is 258.2 secs Computing kpt #: 397 total cpu time spent up to now is 258.7 secs Computing kpt #: 398 total cpu time spent up to now is 259.4 secs Computing kpt #: 399 total cpu time spent up to now is 259.9 secs Computing kpt #: 400 total cpu time spent up to now is 260.5 secs Computing kpt #: 401 total cpu time spent up to now is 261.1 secs Computing kpt #: 402 total cpu time spent up to now is 261.6 secs Computing kpt #: 403 total cpu time spent up to now is 262.1 secs Computing kpt #: 404 total cpu time spent up to now is 262.6 secs Computing kpt #: 405 total cpu time spent up to now is 263.1 secs Computing kpt #: 406 total cpu time spent up to now is 263.7 secs Computing kpt #: 407 total cpu time spent up to now is 264.2 secs Computing kpt #: 408 total cpu time spent up to now is 264.7 secs Computing kpt #: 409 total cpu time spent up to now is 265.2 secs Computing kpt #: 410 total cpu time spent up to now is 265.7 secs Computing kpt #: 411 total cpu time spent up to now is 266.2 secs Computing kpt #: 412 total cpu time spent up to now is 266.7 secs Computing kpt #: 413 total cpu time spent up to now is 267.2 secs Computing kpt #: 414 total cpu time spent up to now is 267.8 secs Computing kpt #: 415 total cpu time spent up to now is 268.3 secs Computing kpt #: 416 total cpu time spent up to now is 268.8 secs Computing kpt #: 417 total cpu time spent up to now is 269.4 secs Computing kpt #: 418 total cpu time spent up to now is 270.0 secs Computing kpt #: 419 total cpu time spent up to now is 270.8 secs Computing kpt #: 420 total cpu time spent up to now is 271.5 secs Computing kpt #: 421 total cpu time spent up to now is 272.3 secs Computing kpt #: 422 total cpu time spent up to now is 273.3 secs Computing kpt #: 423 total cpu time spent up to now is 274.2 secs Computing kpt #: 424 total cpu time spent up to now is 275.2 secs Computing kpt #: 425 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.6 secs Computing kpt #: 426 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.1 secs Computing kpt #: 427 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.4 secs Computing kpt #: 428 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.9 secs Computing kpt #: 429 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.3 secs Computing kpt #: 430 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.7 secs Computing kpt #: 431 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.2 secs Computing kpt #: 432 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.6 secs Computing kpt #: 433 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.1 secs Computing kpt #: 434 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.5 secs Computing kpt #: 435 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.9 secs Computing kpt #: 436 total cpu time spent up to now is 291.4 secs ethr = 3.85E-11, avg # of iterations = 31.4 total cpu time spent up to now is 291.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1859 PWs) bands (ev): -36.2335 -36.2335 -36.1228 -36.1228 -15.5047 -15.5047 -15.1554 -15.1554 -13.8826 -13.8826 -13.5881 -13.5881 -13.3474 -13.3474 -13.3380 -13.3380 4.1721 4.1721 9.3144 9.3144 9.7819 9.7819 9.7900 9.7900 12.9855 12.9855 13.2290 13.2290 13.2831 13.2831 15.3044 15.3044 15.7676 15.7676 k = 0.0000 0.0104-0.0000 ( 1859 PWs) bands (ev): -36.2335 -36.2335 -36.1228 -36.1228 -15.5047 -15.5047 -15.1556 -15.1556 -13.8825 -13.8825 -13.5883 -13.5883 -13.3477 -13.3477 -13.3382 -13.3382 4.1739 4.1739 9.3113 9.3113 9.7837 9.7837 9.7914 9.7914 12.9867 12.9867 13.2294 13.2294 13.2835 13.2835 15.3046 15.3046 15.7655 15.7655 k = 0.0000 0.0208-0.0000 ( 1855 PWs) bands (ev): -36.2332 -36.2332 -36.1228 -36.1228 -15.5047 -15.5047 -15.1563 -15.1563 -13.8824 -13.8824 -13.5888 -13.5888 -13.3486 -13.3486 -13.3387 -13.3387 4.1794 4.1794 9.3022 9.3022 9.7887 9.7887 9.7962 9.7962 12.9904 12.9904 13.2305 13.2305 13.2848 13.2848 15.3051 15.3051 15.7594 15.7594 k = 0.0000 0.0312-0.0000 ( 1857 PWs) bands (ev): -36.2329 -36.2329 -36.1227 -36.1227 -15.5046 -15.5046 -15.1573 -15.1573 -13.8821 -13.8821 -13.5897 -13.5897 -13.3502 -13.3502 -13.3394 -13.3394 4.1884 4.1884 9.2871 9.2871 9.7956 9.7956 9.8055 9.8055 12.9966 12.9966 13.2322 13.2322 13.2871 13.2871 15.3061 15.3061 15.7491 15.7491 k = 0.0000 0.0417-0.0000 ( 1861 PWs) bands (ev): -36.2325 -36.2325 -36.1227 -36.1227 -15.5045 -15.5045 -15.1587 -15.1587 -13.8817 -13.8817 -13.5909 -13.5909 -13.3526 -13.3526 -13.3404 -13.3404 4.2011 4.2011 9.2662 9.2662 9.8038 9.8038 9.8198 9.8198 13.0052 13.0052 13.2338 13.2338 13.2905 13.2905 15.3076 15.3076 15.7350 15.7350 k = 0.0000 0.0521-0.0000 ( 1863 PWs) bands (ev): -36.2319 -36.2319 -36.1227 -36.1227 -15.5043 -15.5043 -15.1605 -15.1605 -13.8812 -13.8812 -13.5924 -13.5924 -13.3558 -13.3558 -13.3414 -13.3414 4.2172 4.2172 9.2399 9.2399 9.8137 9.8137 9.8388 9.8388 13.0160 13.0160 13.2348 13.2348 13.2956 13.2956 15.3095 15.3095 15.7169 15.7169 k = 0.0000 0.0625-0.0000 ( 1869 PWs) bands (ev): -36.2312 -36.2312 -36.1227 -36.1227 -15.5041 -15.5041 -15.1627 -15.1627 -13.8807 -13.8807 -13.5942 -13.5942 -13.3599 -13.3599 -13.3425 -13.3425 4.2369 4.2369 9.2083 9.2083 9.8255 9.8255 9.8620 9.8620 13.0291 13.0291 13.2345 13.2345 13.3026 13.3026 15.3120 15.3120 15.6952 15.6952 k = 0.0000 0.0729-0.0000 ( 1865 PWs) bands (ev): -36.2304 -36.2304 -36.1225 -36.1225 -15.5039 -15.5039 -15.1653 -15.1653 -13.8800 -13.8800 -13.5962 -13.5962 -13.3647 -13.3647 -13.3437 -13.3437 4.2600 4.2600 9.1719 9.1719 9.8393 9.8393 9.8893 9.8893 13.0441 13.0441 13.2322 13.2322 13.3118 13.3118 15.3152 15.3152 15.6700 15.6700 k = 0.0000 0.0833-0.0000 ( 1865 PWs) bands (ev): -36.2294 -36.2294 -36.1224 -36.1224 -15.5036 -15.5036 -15.1683 -15.1683 -13.8793 -13.8793 -13.5985 -13.5985 -13.3703 -13.3703 -13.3449 -13.3449 4.2865 4.2865 9.1310 9.1310 9.8552 9.8552 9.9205 9.9205 13.0610 13.0610 13.2275 13.2275 13.3234 13.3234 15.3192 15.3192 15.6415 15.6415 k = 0.0000 0.0938-0.0000 ( 1865 PWs) bands (ev): -36.2283 -36.2283 -36.1223 -36.1223 -15.5033 -15.5033 -15.1716 -15.1716 -13.8786 -13.8786 -13.6010 -13.6010 -13.3767 -13.3767 -13.3463 -13.3463 4.3163 4.3163 9.0861 9.0861 9.8729 9.8729 9.9555 9.9555 13.0794 13.0794 13.2202 13.2202 13.3373 13.3373 15.3241 15.3241 15.6098 15.6098 k = 0.0000 0.1042-0.0000 ( 1865 PWs) bands (ev): -36.2271 -36.2271 -36.1222 -36.1222 -15.5030 -15.5030 -15.1754 -15.1754 -13.8778 -13.8778 -13.6037 -13.6037 -13.3837 -13.3837 -13.3477 -13.3477 4.3493 4.3493 9.0375 9.0375 9.8926 9.8926 9.9941 9.9941 13.0991 13.0991 13.2101 13.2101 13.3535 13.3535 15.3300 15.3300 15.5753 15.5753 k = 0.0000 0.1146-0.0000 ( 1869 PWs) bands (ev): -36.2258 -36.2258 -36.1222 -36.1222 -15.5027 -15.5027 -15.1795 -15.1795 -13.8769 -13.8769 -13.6065 -13.6065 -13.3914 -13.3914 -13.3493 -13.3493 4.3854 4.3854 8.9857 8.9857 9.9142 9.9142 10.0362 10.0362 13.1194 13.1194 13.1974 13.1974 13.3717 13.3717 15.3372 15.3372 15.5383 15.5383 k = 0.0000 0.1250-0.0000 ( 1869 PWs) bands (ev): -36.2244 -36.2244 -36.1220 -36.1220 -15.5023 -15.5023 -15.1840 -15.1840 -13.8761 -13.8761 -13.6093 -13.6093 -13.3997 -13.3997 -13.3510 -13.3510 4.4245 4.4245 8.9312 8.9312 9.9377 9.9377 10.0814 10.0814 13.1384 13.1384 13.1838 13.1838 13.3920 13.3920 15.3459 15.3459 15.4989 15.4989 k = 0.0000 0.1354-0.0000 ( 1873 PWs) bands (ev): -36.2228 -36.2228 -36.1220 -36.1220 -15.5019 -15.5019 -15.1888 -15.1888 -13.8752 -13.8752 -13.6122 -13.6122 -13.4085 -13.4085 -13.3529 -13.3529 4.4664 4.4664 8.8742 8.8742 9.9629 9.9629 10.1296 10.1296 13.1452 13.1452 13.1798 13.1798 13.4142 13.4142 15.3562 15.3562 15.4576 15.4576 k = 0.0000 0.1458-0.0000 ( 1873 PWs) bands (ev): -36.2212 -36.2212 -36.1219 -36.1219 -15.5015 -15.5015 -15.1939 -15.1939 -13.8744 -13.8744 -13.6150 -13.6150 -13.4179 -13.4179 -13.3549 -13.3549 4.5111 4.5111 8.8153 8.8153 9.9898 9.9898 10.1806 10.1806 13.1292 13.1292 13.1955 13.1955 13.4382 13.4382 15.3677 15.3677 15.4152 15.4152 k = 0.0000 0.1562-0.0000 ( 1871 PWs) bands (ev): -36.2194 -36.2194 -36.1218 -36.1218 -15.5011 -15.5011 -15.1994 -15.1994 -13.8735 -13.8735 -13.6178 -13.6178 -13.4277 -13.4277 -13.3570 -13.3570 4.5584 4.5584 8.7549 8.7549 10.0184 10.0184 10.2342 10.2342 13.1048 13.1048 13.2166 13.2166 13.4640 13.4640 15.3639 15.3639 15.3890 15.3890 k = 0.0000 0.1667-0.0000 ( 1871 PWs) bands (ev): -36.2176 -36.2176 -36.1217 -36.1217 -15.5007 -15.5007 -15.2052 -15.2052 -13.8728 -13.8728 -13.6204 -13.6204 -13.4380 -13.4380 -13.3592 -13.3592 4.6082 4.6082 8.6931 8.6931 10.0485 10.0485 10.2900 10.2900 13.0764 13.0764 13.2381 13.2381 13.4916 13.4916 15.3209 15.3209 15.4034 15.4034 k = 0.0000 0.1771-0.0000 ( 1871 PWs) bands (ev): -36.2157 -36.2157 -36.1216 -36.1216 -15.5003 -15.5003 -15.2113 -15.2113 -13.8721 -13.8721 -13.6229 -13.6229 -13.4486 -13.4486 -13.3616 -13.3616 4.6603 4.6603 8.6306 8.6306 10.0800 10.0800 10.3478 10.3478 13.0451 13.0451 13.2588 13.2588 13.5209 13.5209 15.2740 15.2740 15.4237 15.4237 k = 0.0000 0.1875-0.0000 ( 1879 PWs) bands (ev): -36.2137 -36.2137 -36.1216 -36.1216 -15.4998 -15.4998 -15.2177 -15.2177 -13.8715 -13.8715 -13.6252 -13.6252 -13.4596 -13.4596 -13.3642 -13.3642 4.7145 4.7145 8.5674 8.5674 10.1128 10.1128 10.4074 10.4074 13.0112 13.0112 13.2783 13.2783 13.5518 13.5518 15.2261 15.2261 15.4477 15.4477 k = 0.0000 0.1979-0.0000 ( 1881 PWs) bands (ev): -36.2116 -36.2116 -36.1216 -36.1216 -15.4994 -15.4994 -15.2243 -15.2243 -13.8709 -13.8709 -13.6272 -13.6272 -13.4709 -13.4709 -13.3668 -13.3668 4.7707 4.7707 8.5041 8.5041 10.1468 10.1468 10.4683 10.4683 12.9751 12.9751 13.2958 13.2958 13.5843 13.5843 15.1776 15.1776 15.4756 15.4756 k = 0.0000 0.2083-0.0000 ( 1877 PWs) bands (ev): -36.2095 -36.2095 -36.1215 -36.1215 -15.4989 -15.4989 -15.2312 -15.2312 -13.8705 -13.8705 -13.6289 -13.6289 -13.4824 -13.4824 -13.3696 -13.3696 4.8288 4.8288 8.4408 8.4408 10.1819 10.1819 10.5303 10.5303 12.9372 12.9372 13.3109 13.3109 13.6184 13.6184 15.1287 15.1287 15.5078 15.5078 k = 0.0000 0.2188-0.0000 ( 1877 PWs) bands (ev): -36.2072 -36.2072 -36.1216 -36.1216 -15.4984 -15.4984 -15.2383 -15.2383 -13.8702 -13.8702 -13.6303 -13.6303 -13.4942 -13.4942 -13.3726 -13.3726 4.8884 4.8884 8.3778 8.3778 10.2178 10.2178 10.5932 10.5932 12.8978 12.8978 13.3232 13.3232 13.6541 13.6541 15.0798 15.0798 15.5446 15.5446 k = 0.0000 0.2292-0.0000 ( 1877 PWs) bands (ev): -36.2050 -36.2050 -36.1216 -36.1216 -15.4979 -15.4979 -15.2457 -15.2457 -13.8699 -13.8699 -13.6314 -13.6314 -13.5060 -13.5060 -13.3756 -13.3756 4.9494 4.9494 8.3154 8.3154 10.2543 10.2543 10.6565 10.6565 12.8572 12.8572 13.3323 13.3323 13.6912 13.6912 15.0310 15.0310 15.5861 15.5861 k = 0.0000 0.2396-0.0000 ( 1875 PWs) bands (ev): -36.2026 -36.2026 -36.1216 -36.1216 -15.4973 -15.4973 -15.2532 -15.2532 -13.8697 -13.8697 -13.6321 -13.6321 -13.5180 -13.5180 -13.3788 -13.3788 5.0116 5.0116 8.2537 8.2537 10.2913 10.2913 10.7201 10.7201 12.8158 12.8158 13.3378 13.3378 13.7298 13.7298 14.9825 14.9825 15.5938 15.5938 k = 0.0000 0.2500-0.0000 ( 1871 PWs) bands (ev): -36.2002 -36.2002 -36.1217 -36.1217 -15.4967 -15.4967 -15.2609 -15.2609 -13.8697 -13.8697 -13.6324 -13.6324 -13.5300 -13.5300 -13.3822 -13.3822 5.0749 5.0749 8.1931 8.1931 10.3285 10.3285 10.7837 10.7837 12.7740 12.7740 13.3395 13.3395 13.7699 13.7699 14.9347 14.9347 15.5175 15.5175 k = 0.0000 0.2604-0.0000 ( 1873 PWs) bands (ev): -36.1978 -36.1978 -36.1219 -36.1219 -15.4961 -15.4961 -15.2687 -15.2687 -13.8696 -13.8696 -13.6323 -13.6323 -13.5421 -13.5421 -13.3856 -13.3856 5.1388 5.1388 8.1337 8.1337 10.3657 10.3657 10.8471 10.8471 12.7318 12.7318 13.3371 13.3371 13.8113 13.8113 14.8876 14.8876 15.4431 15.4431 k = 0.0000 0.2708-0.0000 ( 1870 PWs) bands (ev): -36.1953 -36.1953 -36.1221 -36.1221 -15.4955 -15.4955 -15.2766 -15.2766 -13.8697 -13.8697 -13.6319 -13.6319 -13.5540 -13.5540 -13.3892 -13.3892 5.2033 5.2033 8.0758 8.0758 10.4025 10.4025 10.9101 10.9101 12.6897 12.6897 13.3306 13.3306 13.8541 13.8541 14.8414 14.8414 15.3709 15.3709 k = 0.0000 0.2812-0.0000 ( 1870 PWs) bands (ev): -36.1928 -36.1928 -36.1224 -36.1224 -15.4948 -15.4948 -15.2846 -15.2846 -13.8697 -13.8697 -13.6312 -13.6312 -13.5658 -13.5658 -13.3929 -13.3929 5.2680 5.2680 8.0193 8.0193 10.4386 10.4386 10.9726 10.9726 12.6480 12.6480 13.3199 13.3199 13.8982 13.8982 14.7963 14.7963 15.3010 15.3010 k = 0.0000 0.2917-0.0000 ( 1874 PWs) bands (ev): -36.1903 -36.1903 -36.1227 -36.1227 -15.4940 -15.4940 -15.2927 -15.2927 -13.8698 -13.8698 -13.6303 -13.6303 -13.5774 -13.5774 -13.3967 -13.3967 5.3328 5.3328 7.9646 7.9646 10.4738 10.4738 11.0344 11.0344 12.6067 12.6067 13.3049 13.3049 13.9436 13.9436 14.7525 14.7525 15.2337 15.2337 k = 0.0000 0.3021-0.0000 ( 1870 PWs) bands (ev): -36.1878 -36.1878 -36.1230 -36.1230 -15.4932 -15.4932 -15.3008 -15.3008 -13.8698 -13.8698 -13.6295 -13.6295 -13.5884 -13.5884 -13.4006 -13.4006 5.3973 5.3973 7.9117 7.9117 10.5076 10.5076 11.0957 11.0957 12.5663 12.5663 13.2859 13.2859 13.9901 13.9901 14.7101 14.7101 15.1690 15.1690 k = 0.0000 0.3125-0.0000 ( 1868 PWs) bands (ev): -36.1853 -36.1853 -36.1233 -36.1233 -15.4923 -15.4923 -15.3089 -15.3089 -13.8698 -13.8698 -13.6291 -13.6291 -13.5984 -13.5984 -13.4046 -13.4046 5.4613 5.4613 7.8609 7.8609 10.5397 10.5397 11.1564 11.1564 12.5269 12.5269 13.2628 13.2628 14.0378 14.0378 14.6693 14.6693 15.1070 15.1070 k = 0.0000 0.3229-0.0000 ( 1868 PWs) bands (ev): -36.1827 -36.1827 -36.1238 -36.1238 -15.4914 -15.4914 -15.3170 -15.3170 -13.8697 -13.8697 -13.6304 -13.6304 -13.6062 -13.6062 -13.4087 -13.4087 5.5244 5.5244 7.8122 7.8122 10.5697 10.5697 11.2166 11.2166 12.4887 12.4887 13.2358 13.2358 14.0865 14.0865 14.6301 14.6301 15.0478 15.0478 k = 0.0000 0.3333-0.0000 ( 1880 PWs) bands (ev): -36.1803 -36.1803 -36.1244 -36.1244 -15.4903 -15.4903 -15.3251 -15.3251 -13.8694 -13.8694 -13.6351 -13.6351 -13.6101 -13.6101 -13.4128 -13.4128 5.5864 5.5864 7.7656 7.7656 10.5974 10.5974 11.2764 11.2764 12.4518 12.4518 13.2052 13.2052 14.1362 14.1362 14.5927 14.5927 14.9915 14.9915 k = 0.0000 0.3438-0.0000 ( 1876 PWs) bands (ev): -36.1777 -36.1777 -36.1250 -36.1250 -15.4892 -15.4892 -15.3331 -15.3331 -13.8691 -13.8691 -13.6430 -13.6430 -13.6102 -13.6102 -13.4170 -13.4170 5.6470 5.6470 7.7214 7.7214 10.6225 10.6225 11.3360 11.3360 12.4165 12.4165 13.1711 13.1711 14.1866 14.1866 14.5573 14.5573 14.9382 14.9382 k = 0.0000 0.3542-0.0000 ( 1876 PWs) bands (ev): -36.1752 -36.1752 -36.1257 -36.1257 -15.4879 -15.4879 -15.3409 -15.3409 -13.8686 -13.8686 -13.6523 -13.6523 -13.6085 -13.6085 -13.4213 -13.4213 5.7059 5.7059 7.6797 7.6797 10.6448 10.6448 11.3957 11.3957 12.3828 12.3828 13.1337 13.1337 14.2377 14.2377 14.5240 14.5240 14.8879 14.8879 k = 0.0000 0.3646-0.0000 ( 1876 PWs) bands (ev): -36.1727 -36.1727 -36.1264 -36.1264 -15.4865 -15.4865 -15.3486 -15.3486 -13.8680 -13.8680 -13.6619 -13.6619 -13.6058 -13.6058 -13.4255 -13.4255 5.7627 5.7627 7.6405 7.6405 10.6641 10.6641 11.4554 11.4554 12.3510 12.3510 13.0932 13.0932 14.2891 14.2891 14.4930 14.4930 14.8409 14.8409 k = 0.0000 0.3750-0.0000 ( 1868 PWs) bands (ev): -36.1701 -36.1701 -36.1273 -36.1273 -15.4850 -15.4850 -15.3562 -15.3562 -13.8672 -13.8672 -13.6715 -13.6715 -13.6027 -13.6027 -13.4298 -13.4298 5.8172 5.8172 7.6040 7.6040 10.6805 10.6805 11.5154 11.5154 12.3210 12.3210 13.0500 13.0500 14.3401 14.3401 14.4649 14.4649 14.7970 14.7970 k = 0.0000 0.3854-0.0000 ( 1872 PWs) bands (ev): -36.1676 -36.1676 -36.1282 -36.1282 -15.4834 -15.4834 -15.3635 -15.3635 -13.8662 -13.8662 -13.6809 -13.6809 -13.5994 -13.5994 -13.4340 -13.4340 5.8688 5.8688 7.5700 7.5700 10.6941 10.6941 11.5757 11.5757 12.2931 12.2931 13.0042 13.0042 14.3872 14.3872 14.4431 14.4431 14.7565 14.7565 k = 0.0000 0.3958-0.0000 ( 1868 PWs) bands (ev): -36.1652 -36.1652 -36.1291 -36.1291 -15.4817 -15.4817 -15.3706 -15.3706 -13.8651 -13.8651 -13.6898 -13.6898 -13.5958 -13.5958 -13.4382 -13.4382 5.9175 5.9175 7.5389 7.5389 10.7048 10.7048 11.6362 11.6362 12.2674 12.2674 12.9560 12.9560 14.4004 14.4004 14.4573 14.4573 14.7194 14.7194 k = 0.0000 0.4062-0.0000 ( 1864 PWs) bands (ev): -36.1628 -36.1628 -36.1301 -36.1301 -15.4798 -15.4798 -15.3774 -15.3774 -13.8638 -13.8638 -13.6983 -13.6983 -13.5923 -13.5923 -13.4423 -13.4423 5.9627 5.9627 7.5105 7.5105 10.7131 10.7131 11.6971 11.6971 12.2439 12.2439 12.9059 12.9059 14.3828 14.3828 14.5039 14.5039 14.6861 14.6861 k = 0.0000 0.4167-0.0000 ( 1866 PWs) bands (ev): -36.1605 -36.1605 -36.1313 -36.1313 -15.4778 -15.4778 -15.3839 -15.3839 -13.8625 -13.8625 -13.7063 -13.7063 -13.5887 -13.5887 -13.4462 -13.4462 6.0042 6.0042 7.4850 7.4850 10.7192 10.7192 11.7580 11.7580 12.2226 12.2226 12.8542 12.8542 14.3637 14.3637 14.5525 14.5525 14.6574 14.6574 k = 0.0000 0.4271-0.0000 ( 1864 PWs) bands (ev): -36.1582 -36.1582 -36.1325 -36.1325 -15.4758 -15.4758 -15.3900 -15.3900 -13.8610 -13.8610 -13.7136 -13.7136 -13.5853 -13.5853 -13.4499 -13.4499 6.0417 6.0417 7.4623 7.4623 10.7233 10.7233 11.8186 11.8186 12.2037 12.2037 12.8012 12.8012 14.3462 14.3462 14.5933 14.5933 14.6394 14.6394 k = 0.0000 0.4375-0.0000 ( 1864 PWs) bands (ev): -36.1560 -36.1560 -36.1337 -36.1337 -15.4737 -15.4737 -15.3957 -15.3957 -13.8595 -13.8595 -13.7202 -13.7202 -13.5820 -13.5820 -13.4533 -13.4533 6.0749 6.0749 7.4426 7.4426 10.7260 10.7260 11.8786 11.8786 12.1873 12.1873 12.7477 12.7477 14.3308 14.3308 14.5947 14.5947 14.6627 14.6627 k = 0.0000 0.4479-0.0000 ( 1868 PWs) bands (ev): -36.1539 -36.1539 -36.1351 -36.1351 -15.4716 -15.4716 -15.4009 -15.4009 -13.8581 -13.8581 -13.7261 -13.7261 -13.5791 -13.5791 -13.4565 -13.4565 6.1034 6.1034 7.4259 7.4259 10.7275 10.7275 11.9372 11.9372 12.1735 12.1735 12.6943 12.6943 14.3177 14.3177 14.5782 14.5782 14.7045 14.7045 k = 0.0000 0.4583-0.0000 ( 1868 PWs) bands (ev): -36.1519 -36.1519 -36.1364 -36.1364 -15.4696 -15.4696 -15.4054 -15.4054 -13.8567 -13.8567 -13.7311 -13.7311 -13.5765 -13.5765 -13.4592 -13.4592 6.1271 6.1271 7.4122 7.4122 10.7282 10.7282 11.9932 11.9932 12.1622 12.1622 12.6424 12.6424 14.3070 14.3070 14.5628 14.5628 14.7449 14.7449 k = 0.0000 0.4688-0.0000 ( 1868 PWs) bands (ev): -36.1500 -36.1500 -36.1378 -36.1378 -15.4678 -15.4678 -15.4092 -15.4092 -13.8556 -13.8556 -13.7351 -13.7351 -13.5743 -13.5743 -13.4614 -13.4614 6.1458 6.1458 7.4015 7.4015 10.7285 10.7285 12.0444 12.0444 12.1538 12.1538 12.5938 12.5938 14.2986 14.2986 14.5504 14.5504 14.7800 14.7800 k = 0.0000 0.4792-0.0000 ( 1868 PWs) bands (ev): -36.1482 -36.1482 -36.1392 -36.1392 -15.4663 -15.4663 -15.4121 -15.4121 -13.8547 -13.8547 -13.7380 -13.7380 -13.5727 -13.5727 -13.4630 -13.4630 6.1593 6.1593 7.3939 7.3939 10.7284 10.7284 12.0870 12.0870 12.1490 12.1490 12.5520 12.5520 14.2926 14.2926 14.5415 14.5415 14.8076 14.8076 k = 0.0000 0.4896-0.0000 ( 1872 PWs) bands (ev): -36.1469 -36.1469 -36.1403 -36.1403 -15.4653 -15.4653 -15.4139 -15.4139 -13.8541 -13.8541 -13.7398 -13.7398 -13.5717 -13.5717 -13.4641 -13.4641 6.1674 6.1674 7.3893 7.3893 10.7283 10.7283 12.1141 12.1141 12.1491 12.1491 12.5223 12.5223 14.2890 14.2890 14.5361 14.5361 14.8254 14.8254 k = 0.0000 0.5000-0.0000 ( 1874 PWs) bands (ev): -36.1464 -36.1464 -36.1409 -36.1409 -15.4650 -15.4650 -15.4145 -15.4145 -13.8539 -13.8539 -13.7404 -13.7404 -13.5714 -13.5714 -13.4644 -13.4644 6.1701 6.1701 7.3878 7.3878 10.7283 10.7283 12.1219 12.1219 12.1515 12.1515 12.5112 12.5112 14.2877 14.2877 14.5342 14.5342 14.8316 14.8316 k = 0.0000 0.5000-0.0000 ( 1874 PWs) bands (ev): -36.1464 -36.1464 -36.1409 -36.1409 -15.4650 -15.4650 -15.4145 -15.4145 -13.8539 -13.8539 -13.7404 -13.7404 -13.5714 -13.5714 -13.4644 -13.4644 6.1701 6.1701 7.3878 7.3878 10.7283 10.7283 12.1219 12.1219 12.1515 12.1515 12.5112 12.5112 14.2877 14.2877 14.5342 14.5342 14.8316 14.8316 k = 0.0104 0.5000-0.0000 ( 1872 PWs) bands (ev): -36.1463 -36.1463 -36.1408 -36.1408 -15.4651 -15.4651 -15.4146 -15.4146 -13.8540 -13.8540 -13.7404 -13.7404 -13.5716 -13.5716 -13.4646 -13.4646 6.1721 6.1721 7.3861 7.3861 10.7289 10.7289 12.1203 12.1203 12.1498 12.1498 12.5104 12.5104 14.2882 14.2882 14.5374 14.5374 14.8335 14.8335 k = 0.0208 0.5000-0.0000 ( 1872 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4653 -15.4653 -15.4148 -15.4148 -13.8541 -13.8541 -13.7403 -13.7403 -13.5724 -13.5724 -13.4653 -13.4653 6.1779 6.1779 7.3811 7.3811 10.7307 10.7307 12.1156 12.1156 12.1447 12.1447 12.5079 12.5079 14.2898 14.2898 14.5470 14.5470 14.8395 14.8395 k = 0.0312 0.5000-0.0000 ( 1872 PWs) bands (ev): -36.1460 -36.1460 -36.1405 -36.1405 -15.4658 -15.4658 -15.4152 -15.4152 -13.8544 -13.8544 -13.7403 -13.7403 -13.5736 -13.5736 -13.4664 -13.4664 6.1877 6.1877 7.3728 7.3728 10.7335 10.7335 12.1077 12.1077 12.1362 12.1362 12.5040 12.5040 14.2924 14.2924 14.5627 14.5627 14.8494 14.8494 k = 0.0417 0.5000-0.0000 ( 1868 PWs) bands (ev): -36.1457 -36.1457 -36.1403 -36.1403 -15.4664 -15.4664 -15.4157 -15.4157 -13.8547 -13.8547 -13.7402 -13.7402 -13.5753 -13.5753 -13.4680 -13.4680 6.2013 6.2013 7.3613 7.3613 10.7372 10.7372 12.0966 12.0966 12.1244 12.1244 12.4993 12.4993 14.2964 14.2964 14.5845 14.5845 14.8632 14.8632 k = 0.0521 0.5000-0.0000 ( 1868 PWs) bands (ev): -36.1453 -36.1453 -36.1400 -36.1400 -15.4671 -15.4671 -15.4164 -15.4164 -13.8552 -13.8552 -13.7402 -13.7402 -13.5774 -13.5774 -13.4699 -13.4699 6.2187 6.2187 7.3466 7.3466 10.7413 10.7413 12.0823 12.0823 12.1093 12.1093 12.4944 12.4944 14.3019 14.3019 14.6117 14.6117 14.8808 14.8808 k = 0.0625 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1449 -36.1449 -36.1396 -36.1396 -15.4680 -15.4680 -15.4172 -15.4172 -13.8557 -13.8557 -13.7401 -13.7401 -13.5800 -13.5800 -13.4723 -13.4723 6.2398 6.2398 7.3289 7.3289 10.7457 10.7457 12.0649 12.0649 12.0909 12.0909 12.4900 12.4900 14.3093 14.3093 14.6443 14.6443 14.9022 14.9022 k = 0.0729 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1444 -36.1444 -36.1392 -36.1392 -15.4691 -15.4691 -15.4181 -15.4181 -13.8564 -13.8564 -13.7401 -13.7401 -13.5829 -13.5829 -13.4750 -13.4750 6.2647 6.2647 7.3083 7.3083 10.7497 10.7497 12.0443 12.0443 12.0693 12.0693 12.4869 12.4869 14.3189 14.3189 14.6818 14.6818 14.9272 14.9272 k = 0.0833 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1438 -36.1438 -36.1387 -36.1387 -15.4704 -15.4704 -15.4192 -15.4192 -13.8572 -13.8572 -13.7401 -13.7401 -13.5862 -13.5862 -13.4781 -13.4781 6.2931 6.2931 7.2849 7.2849 10.7529 10.7529 12.0206 12.0206 12.0446 12.0446 12.4861 12.4861 14.3310 14.3310 14.7236 14.7236 14.9557 14.9557 k = 0.0938 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1432 -36.1432 -36.1381 -36.1381 -15.4718 -15.4718 -15.4204 -15.4204 -13.8582 -13.8582 -13.7402 -13.7402 -13.5898 -13.5898 -13.4815 -13.4815 6.3251 6.3251 7.2589 7.2589 10.7547 10.7547 11.9936 11.9936 12.0170 12.0170 12.4885 12.4885 14.3461 14.3461 14.7695 14.7695 14.9875 14.9875 k = 0.1042 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1425 -36.1425 -36.1375 -36.1375 -15.4734 -15.4734 -15.4218 -15.4218 -13.8593 -13.8593 -13.7403 -13.7403 -13.5937 -13.5937 -13.4852 -13.4852 6.3606 6.3606 7.2304 7.2304 10.7546 10.7546 11.9633 11.9633 11.9867 11.9867 12.4951 12.4951 14.3643 14.3643 14.8190 14.8190 15.0226 15.0226 k = 0.1146 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1417 -36.1417 -36.1369 -36.1369 -15.4752 -15.4752 -15.4233 -15.4233 -13.8605 -13.8605 -13.7406 -13.7406 -13.5978 -13.5978 -13.4891 -13.4891 6.3994 6.3994 7.1997 7.1997 10.7521 10.7521 11.9295 11.9295 11.9543 11.9543 12.5066 12.5066 14.3862 14.3862 14.8718 14.8718 15.0609 15.0609 k = 0.1250 0.5000-0.0000 ( 1870 PWs) bands (ev): -36.1409 -36.1409 -36.1362 -36.1362 -15.4772 -15.4772 -15.4249 -15.4249 -13.8620 -13.8620 -13.7410 -13.7410 -13.6020 -13.6020 -13.4933 -13.4933 6.4413 6.4413 7.1670 7.1670 10.7468 10.7468 11.8919 11.8919 11.9201 11.9201 12.5240 12.5240 14.4119 14.4119 14.9274 14.9274 15.1020 15.1020 k = 0.1354 0.5000-0.0000 ( 1862 PWs) bands (ev): -36.1400 -36.1400 -36.1354 -36.1354 -15.4793 -15.4793 -15.4266 -15.4266 -13.8636 -13.8636 -13.7415 -13.7415 -13.6062 -13.6062 -13.4976 -13.4976 6.4864 6.4864 7.1323 7.1323 10.7382 10.7382 11.8505 11.8505 11.8845 11.8845 12.5478 12.5478 14.4417 14.4417 14.9857 14.9857 15.1461 15.1461 k = 0.1458 0.5000-0.0000 ( 1862 PWs) bands (ev): -36.1391 -36.1391 -36.1346 -36.1346 -15.4815 -15.4815 -15.4285 -15.4285 -13.8654 -13.8654 -13.7423 -13.7423 -13.6105 -13.6105 -13.5021 -13.5021 6.5344 6.5344 7.0960 7.0960 10.7261 10.7261 11.8054 11.8054 11.8477 11.8477 12.5785 12.5785 14.4759 14.4759 15.0463 15.0463 15.1927 15.1927 k = 0.1562 0.5000-0.0000 ( 1866 PWs) bands (ev): -36.1381 -36.1381 -36.1338 -36.1338 -15.4839 -15.4839 -15.4304 -15.4304 -13.8674 -13.8674 -13.7433 -13.7433 -13.6148 -13.6148 -13.5067 -13.5067 6.5853 6.5853 7.0583 7.0583 10.7105 10.7105 11.7567 11.7567 11.8099 11.8099 12.6164 12.6164 14.5146 14.5146 15.1090 15.1090 15.2418 15.2418 k = 0.1667 0.5000-0.0000 ( 1866 PWs) bands (ev): -36.1371 -36.1371 -36.1330 -36.1330 -15.4865 -15.4865 -15.4325 -15.4325 -13.8696 -13.8696 -13.7445 -13.7445 -13.6189 -13.6189 -13.5113 -13.5113 6.6388 6.6388 7.0193 7.0193 10.6913 10.6913 11.7048 11.7048 11.7712 11.7712 12.6617 12.6617 14.5580 14.5580 15.1735 15.1735 15.2932 15.2932 k = 0.1771 0.5000-0.0000 ( 1862 PWs) bands (ev): -36.1360 -36.1360 -36.1320 -36.1320 -15.4892 -15.4892 -15.4347 -15.4347 -13.8720 -13.8720 -13.7460 -13.7460 -13.6229 -13.6229 -13.5160 -13.5160 6.6948 6.6948 6.9795 6.9795 10.6687 10.6687 11.6499 11.6499 11.7318 11.7318 12.7144 12.7144 14.6062 14.6062 15.2396 15.2396 15.3468 15.3468 k = 0.1875 0.5000-0.0000 ( 1874 PWs) bands (ev): -36.1350 -36.1350 -36.1312 -36.1312 -15.4921 -15.4921 -15.4369 -15.4369 -13.8746 -13.8746 -13.7479 -13.7479 -13.6266 -13.6266 -13.5206 -13.5206 6.7528 6.7528 6.9390 6.9390 10.6429 10.6429 11.5923 11.5923 11.6918 11.6918 12.7742 12.7742 14.6591 14.6591 15.3072 15.3072 15.4024 15.4024 k = 0.1979 0.5000-0.0000 ( 1870 PWs) bands (ev): -36.1338 -36.1338 -36.1302 -36.1302 -15.4951 -15.4951 -15.4393 -15.4393 -13.8775 -13.8775 -13.7501 -13.7501 -13.6300 -13.6300 -13.5252 -13.5252 6.8118 6.8118 6.8991 6.8991 10.6142 10.6142 11.5323 11.5323 11.6513 11.6513 12.8409 12.8409 14.7168 14.7168 15.3760 15.3760 15.4598 15.4598 k = 0.2083 0.5000-0.0000 ( 1866 PWs) bands (ev): -36.1327 -36.1327 -36.1292 -36.1292 -15.4983 -15.4983 -15.4417 -15.4417 -13.8805 -13.8805 -13.7526 -13.7526 -13.6332 -13.6332 -13.5296 -13.5296 6.8454 6.8454 6.8864 6.8864 10.5830 10.5830 11.4700 11.4700 11.6106 11.6106 12.9142 12.9142 14.7794 14.7794 15.4460 15.4460 15.5190 15.5190 k = 0.2188 0.5000-0.0000 ( 1866 PWs) bands (ev): -36.1315 -36.1315 -36.1282 -36.1282 -15.5015 -15.5015 -15.4442 -15.4442 -13.8838 -13.8838 -13.7555 -13.7555 -13.6360 -13.6360 -13.5339 -13.5339 6.8094 6.8094 6.9448 6.9448 10.5497 10.5497 11.4058 11.4058 11.5698 11.5698 12.9937 12.9937 14.8467 14.8467 15.5169 15.5169 15.5799 15.5799 k = 0.2292 0.5000-0.0000 ( 1866 PWs) bands (ev): -36.1303 -36.1303 -36.1272 -36.1272 -15.5049 -15.5049 -15.4467 -15.4467 -13.8873 -13.8873 -13.7587 -13.7587 -13.6385 -13.6385 -13.5381 -13.5381 6.7679 6.7679 7.0103 7.0103 10.5147 10.5147 11.3399 11.3399 11.5290 11.5290 13.0788 13.0788 14.9186 14.9186 15.5884 15.5884 15.6423 15.6423 k = 0.2396 0.5000-0.0000 ( 1858 PWs) bands (ev): -36.1290 -36.1290 -36.1261 -36.1261 -15.5084 -15.5084 -15.4493 -15.4493 -13.8910 -13.8910 -13.7623 -13.7623 -13.6406 -13.6406 -13.5420 -13.5420 6.7261 6.7261 7.0780 7.0780 10.4783 10.4783 11.2725 11.2725 11.4885 11.4885 13.1691 13.1691 14.9952 14.9952 15.6604 15.6604 15.7065 15.7065 k = 0.2500 0.5000-0.0000 ( 1860 PWs) bands (ev): -36.1278 -36.1278 -36.1251 -36.1251 -15.5119 -15.5119 -15.4519 -15.4519 -13.8949 -13.8949 -13.7661 -13.7661 -13.6424 -13.6424 -13.5457 -13.5457 6.6842 6.6842 7.1471 7.1471 10.4410 10.4410 11.2039 11.2039 11.4484 11.4484 13.2641 13.2641 15.0761 15.0761 15.7323 15.7323 15.7723 15.7723 k = 0.2604 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1267 -36.1267 -36.1241 -36.1241 -15.5156 -15.5156 -15.4545 -15.4545 -13.8989 -13.8989 -13.7701 -13.7701 -13.6439 -13.6439 -13.5492 -13.5492 6.6428 6.6428 7.2175 7.2175 10.4031 10.4031 11.1344 11.1344 11.4089 11.4089 13.3632 13.3632 15.1614 15.1614 15.8037 15.8037 15.8402 15.8402 k = 0.2708 0.5000-0.0000 ( 1864 PWs) bands (ev): -36.1255 -36.1255 -36.1230 -36.1230 -15.5192 -15.5192 -15.4572 -15.4572 -13.9030 -13.9030 -13.7743 -13.7743 -13.6451 -13.6451 -13.5523 -13.5523 6.6020 6.6020 7.2890 7.2890 10.3649 10.3649 11.0640 11.0640 11.3700 11.3700 13.4660 13.4660 15.2508 15.2508 15.8739 15.8739 15.9103 15.9103 k = 0.2812 0.5000-0.0000 ( 1868 PWs) bands (ev): -36.1243 -36.1243 -36.1221 -36.1221 -15.5230 -15.5230 -15.4598 -15.4598 -13.9072 -13.9072 -13.7787 -13.7787 -13.6461 -13.6461 -13.5553 -13.5553 6.5619 6.5619 7.3612 7.3612 10.3268 10.3268 10.9931 10.9931 11.3319 11.3319 13.5718 13.5718 15.3440 15.3440 15.9429 15.9429 15.9825 15.9825 k = 0.2917 0.5000-0.0000 ( 1878 PWs) bands (ev): -36.1232 -36.1232 -36.1211 -36.1211 -15.5267 -15.5267 -15.4624 -15.4624 -13.9115 -13.9115 -13.7832 -13.7832 -13.6468 -13.6468 -13.5579 -13.5579 6.5227 6.5227 7.4340 7.4340 10.2890 10.2890 10.9219 10.9219 11.2948 11.2948 13.6801 13.6801 15.4409 15.4409 16.0107 16.0107 16.0564 16.0564 k = 0.3021 0.5000-0.0000 ( 1878 PWs) bands (ev): -36.1220 -36.1220 -36.1201 -36.1201 -15.5305 -15.5305 -15.4651 -15.4651 -13.9158 -13.9158 -13.7878 -13.7878 -13.6474 -13.6474 -13.5603 -13.5603 6.4846 6.4846 7.5072 7.5072 10.2517 10.2517 10.8505 10.8505 11.2588 11.2588 13.7903 13.7903 15.5411 15.5411 16.0775 16.0775 16.1314 16.1314 k = 0.3125 0.5000-0.0000 ( 1878 PWs) bands (ev): -36.1209 -36.1209 -36.1192 -36.1192 -15.5342 -15.5342 -15.4676 -15.4676 -13.9202 -13.9202 -13.7924 -13.7924 -13.6478 -13.6478 -13.5624 -13.5624 6.4476 6.4476 7.5807 7.5807 10.2152 10.2152 10.7792 10.7792 11.2240 11.2240 13.9019 13.9019 15.6444 15.6444 16.1436 16.1436 16.2070 16.2070 k = 0.3229 0.5000-0.0000 ( 1874 PWs) bands (ev): -36.1198 -36.1198 -36.1182 -36.1182 -15.5379 -15.5379 -15.4702 -15.4702 -13.9245 -13.9245 -13.7969 -13.7969 -13.6481 -13.6481 -13.5642 -13.5642 6.4120 6.4120 7.6541 7.6541 10.1798 10.1798 10.7081 10.7081 11.1905 11.1905 14.0142 14.0142 15.7503 15.7503 16.2089 16.2089 16.2827 16.2827 k = 0.3333 0.5000-0.0000 ( 1874 PWs) bands (ev): -36.1187 -36.1187 -36.1173 -36.1173 -15.5415 -15.5415 -15.4726 -15.4726 -13.9287 -13.9287 -13.8014 -13.8014 -13.6483 -13.6483 -13.5658 -13.5658 6.3778 6.3778 7.7273 7.7273 10.1455 10.1455 10.6374 10.6374 11.1583 11.1583 14.1267 14.1267 15.8583 15.8583 16.2732 16.2732 16.3581 16.3581 k = 0.3438 0.5000-0.0000 ( 1878 PWs) bands (ev): -36.1177 -36.1177 -36.1164 -36.1164 -15.5450 -15.5450 -15.4750 -15.4750 -13.9328 -13.9328 -13.8057 -13.8057 -13.6485 -13.6485 -13.5672 -13.5672 6.3451 6.3451 7.8000 7.8000 10.1125 10.1125 10.5674 10.5674 11.1277 11.1277 14.2386 14.2386 15.9679 15.9679 16.3363 16.3363 16.4328 16.4328 k = 0.3542 0.5000-0.0000 ( 1878 PWs) bands (ev): -36.1167 -36.1167 -36.1156 -36.1156 -15.5485 -15.5485 -15.4773 -15.4773 -13.9369 -13.9369 -13.8100 -13.8100 -13.6485 -13.6485 -13.5683 -13.5683 6.3141 6.3141 7.8720 7.8720 10.0811 10.0811 10.4982 10.4982 11.0986 11.0986 14.3492 14.3492 16.0784 16.0784 16.3983 16.3983 16.5065 16.5065 k = 0.3646 0.5000-0.0000 ( 1882 PWs) bands (ev): -36.1158 -36.1158 -36.1148 -36.1148 -15.5518 -15.5518 -15.4795 -15.4795 -13.9407 -13.9407 -13.8141 -13.8141 -13.6485 -13.6485 -13.5693 -13.5693 6.2848 6.2848 7.9430 7.9430 10.0513 10.0513 10.4301 10.4301 11.0712 11.0712 14.4580 14.4580 16.1890 16.1890 16.4586 16.4586 16.5785 16.5785 k = 0.3750 0.5000-0.0000 ( 1886 PWs) bands (ev): -36.1149 -36.1149 -36.1141 -36.1141 -15.5550 -15.5550 -15.4817 -15.4817 -13.9444 -13.9444 -13.8179 -13.8179 -13.6484 -13.6484 -13.5701 -13.5701 6.2574 6.2574 8.0126 8.0126 10.0233 10.0233 10.3633 10.3633 11.0456 11.0456 14.5641 14.5641 16.2986 16.2986 16.5174 16.5174 16.6483 16.6483 k = 0.3854 0.5000-0.0000 ( 1890 PWs) bands (ev): -36.1141 -36.1141 -36.1134 -36.1134 -15.5580 -15.5580 -15.4836 -15.4836 -13.9479 -13.9479 -13.8216 -13.8216 -13.6484 -13.6484 -13.5707 -13.5707 6.2318 6.2318 8.0806 8.0806 9.9971 9.9971 10.2982 10.2982 11.0217 11.0217 14.6668 14.6668 16.4056 16.4056 16.5746 16.5746 16.7153 16.7153 k = 0.3958 0.5000-0.0000 ( 1894 PWs) bands (ev): -36.1134 -36.1134 -36.1128 -36.1128 -15.5608 -15.5608 -15.4855 -15.4855 -13.9511 -13.9511 -13.8250 -13.8250 -13.6483 -13.6483 -13.5712 -13.5712 6.2082 6.2082 8.1466 8.1466 9.9730 9.9730 10.2350 10.2350 10.9997 10.9997 14.7652 14.7652 16.5079 16.5079 16.6308 16.6308 16.7787 16.7787 k = 0.4062 0.5000-0.0000 ( 1894 PWs) bands (ev): -36.1127 -36.1127 -36.1122 -36.1122 -15.5634 -15.5634 -15.4872 -15.4872 -13.9541 -13.9541 -13.8282 -13.8282 -13.6482 -13.6482 -13.5716 -13.5716 6.1867 6.1867 8.2100 8.2100 9.9508 9.9508 10.1743 10.1743 10.9796 10.9796 14.8585 14.8585 16.6010 16.6010 16.6883 16.6883 16.8376 16.8376 k = 0.4167 0.5000-0.0000 ( 1898 PWs) bands (ev): -36.1121 -36.1121 -36.1117 -36.1117 -15.5658 -15.5658 -15.4888 -15.4888 -13.9569 -13.9569 -13.8311 -13.8311 -13.6481 -13.6481 -13.5719 -13.5719 6.1673 6.1673 8.2703 8.2703 9.9308 9.9308 10.1166 10.1166 10.9615 10.9615 14.9458 14.9458 16.6775 16.6775 16.7523 16.7523 16.8913 16.8913 k = 0.4271 0.5000-0.0000 ( 1894 PWs) bands (ev): -36.1115 -36.1115 -36.1112 -36.1112 -15.5679 -15.5679 -15.4902 -15.4902 -13.9593 -13.9593 -13.8336 -13.8336 -13.6480 -13.6480 -13.5722 -13.5722 6.1500 6.1500 8.3269 8.3269 9.9131 9.9131 10.0623 10.0623 10.9454 10.9454 15.0261 15.0261 16.7341 16.7341 16.8233 16.8233 16.9388 16.9388 k = 0.4375 0.5000-0.0000 ( 1902 PWs) bands (ev): -36.1110 -36.1110 -36.1108 -36.1108 -15.5698 -15.5698 -15.4914 -15.4914 -13.9614 -13.9614 -13.8359 -13.8359 -13.6479 -13.6479 -13.5723 -13.5723 6.1349 6.1349 8.3790 8.3790 9.8975 9.8975 10.0124 10.0124 10.9314 10.9314 15.0986 15.0986 16.7775 16.7775 16.8918 16.8918 16.9794 16.9794 k = 0.4479 0.5000-0.0000 ( 1904 PWs) bands (ev): -36.1106 -36.1106 -36.1105 -36.1105 -15.5715 -15.5715 -15.4924 -15.4924 -13.9633 -13.9633 -13.8378 -13.8378 -13.6478 -13.6478 -13.5725 -13.5725 6.1221 6.1221 8.4257 8.4257 9.8843 9.8843 9.9675 9.9675 10.9195 10.9195 15.1622 15.1622 16.8126 16.8126 16.9504 16.9504 17.0128 17.0128 k = 0.4583 0.5000-0.0000 ( 1904 PWs) bands (ev): -36.1103 -36.1103 -36.1102 -36.1102 -15.5728 -15.5728 -15.4933 -15.4933 -13.9648 -13.9648 -13.8394 -13.8394 -13.6477 -13.6477 -13.5725 -13.5725 6.1116 6.1116 8.4661 8.4661 9.8734 9.8734 9.9288 9.9288 10.9097 10.9097 15.2158 15.2158 16.8410 16.8410 16.9960 16.9960 17.0392 17.0392 k = 0.4688 0.5000-0.0000 ( 1904 PWs) bands (ev): -36.1100 -36.1100 -36.1099 -36.1099 -15.5739 -15.5739 -15.4940 -15.4940 -13.9660 -13.9660 -13.8407 -13.8407 -13.6476 -13.6476 -13.5726 -13.5726 6.1034 6.1034 8.4990 8.4990 9.8649 9.8649 9.8971 9.8971 10.9021 10.9021 15.2588 15.2588 16.8631 16.8631 17.0281 17.0281 17.0592 17.0592 k = 0.4792 0.5000-0.0000 ( 1908 PWs) bands (ev): -36.1098 -36.1098 -36.1098 -36.1098 -15.5746 -15.5746 -15.4945 -15.4945 -13.9668 -13.9668 -13.8416 -13.8416 -13.6476 -13.6476 -13.5726 -13.5726 6.0975 6.0975 8.5235 8.5235 9.8588 9.8588 9.8736 9.8736 10.8966 10.8966 15.2901 15.2901 16.8790 16.8790 17.0480 17.0480 17.0736 17.0736 k = 0.4896 0.5000-0.0000 ( 1908 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5751 -15.5751 -15.4948 -15.4948 -13.9673 -13.9673 -13.8421 -13.8421 -13.6475 -13.6475 -13.5726 -13.5726 6.0939 6.0939 8.5386 8.5386 9.8550 9.8550 9.8592 9.8592 10.8933 10.8933 15.3091 15.3091 16.8885 16.8885 17.0583 17.0583 17.0824 17.0824 k = 0.5000 0.5000-0.0000 ( 1916 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5752 -15.5752 -15.4949 -15.4949 -13.9675 -13.9675 -13.8423 -13.8423 -13.6475 -13.6475 -13.5726 -13.5726 6.0927 6.0927 8.5437 8.5437 9.8532 9.8532 9.8549 9.8549 10.8922 10.8922 15.3155 15.3155 16.8916 16.8916 17.0615 17.0615 17.0853 17.0853 k = 0.5000 0.5000-0.0000 ( 1916 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5752 -15.5752 -15.4949 -15.4949 -13.9675 -13.9675 -13.8423 -13.8423 -13.6475 -13.6475 -13.5726 -13.5726 6.0927 6.0927 8.5437 8.5437 9.8532 9.8532 9.8549 9.8549 10.8922 10.8922 15.3155 15.3155 16.8916 16.8916 17.0615 17.0615 17.0853 17.0853 k = 0.4926 0.4926-0.0000 ( 1908 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5751 -15.5751 -15.4948 -15.4948 -13.9673 -13.9673 -13.8421 -13.8421 -13.6475 -13.6475 -13.5726 -13.5726 6.0939 6.0939 8.5386 8.5386 9.8555 9.8555 9.8587 9.8587 10.8933 10.8933 15.3092 15.3092 16.8885 16.8885 17.0583 17.0583 17.0825 17.0825 k = 0.4853 0.4853-0.0000 ( 1908 PWs) bands (ev): -36.1099 -36.1099 -36.1097 -36.1097 -15.5746 -15.5746 -15.4945 -15.4945 -13.9668 -13.9668 -13.8416 -13.8416 -13.6476 -13.6476 -13.5726 -13.5726 6.0975 6.0975 8.5235 8.5235 9.8610 9.8610 9.8713 9.8713 10.8966 10.8966 15.2902 15.2902 16.8788 16.8788 17.0467 17.0467 17.0759 17.0759 k = 0.4779 0.4779-0.0000 ( 1904 PWs) bands (ev): -36.1102 -36.1102 -36.1097 -36.1097 -15.5739 -15.5739 -15.4940 -15.4940 -13.9660 -13.9660 -13.8407 -13.8407 -13.6476 -13.6476 -13.5726 -13.5726 6.1034 6.1034 8.4989 8.4989 9.8700 9.8700 9.8921 9.8921 10.9020 10.9020 15.2592 15.2592 16.8621 16.8621 17.0238 17.0238 17.0681 17.0681 k = 0.4706 0.4706-0.0000 ( 1904 PWs) bands (ev): -36.1107 -36.1107 -36.1098 -36.1098 -15.5728 -15.5728 -15.4933 -15.4933 -13.9648 -13.9648 -13.8394 -13.8394 -13.6477 -13.6477 -13.5725 -13.5725 6.1116 6.1116 8.4656 8.4656 9.8824 9.8824 9.9202 9.9202 10.9097 10.9097 15.2171 15.2171 16.8379 16.8379 16.9890 16.9890 17.0593 17.0593 k = 0.4632 0.4632-0.0000 ( 1898 PWs) bands (ev): -36.1113 -36.1113 -36.1097 -36.1097 -15.5715 -15.5715 -15.4924 -15.4924 -13.9633 -13.9633 -13.8378 -13.8378 -13.6479 -13.6479 -13.5723 -13.5723 6.1222 6.1222 8.4245 8.4245 9.8983 9.8983 9.9546 9.9546 10.9195 10.9195 15.1648 15.1648 16.8054 16.8054 16.9426 16.9426 17.0490 17.0490 k = 0.4559 0.4559-0.0000 ( 1898 PWs) bands (ev): -36.1120 -36.1120 -36.1098 -36.1098 -15.5699 -15.5699 -15.4913 -15.4913 -13.9615 -13.9615 -13.8358 -13.8358 -13.6482 -13.6482 -13.5721 -13.5721 6.1351 6.1351 8.3764 8.3764 9.9176 9.9176 9.9946 9.9946 10.9315 10.9315 15.1035 15.1035 16.7640 16.7640 16.8850 16.8850 17.0366 17.0366 k = 0.4485 0.4485-0.0000 ( 1896 PWs) bands (ev): -36.1128 -36.1128 -36.1099 -36.1099 -15.5680 -15.5680 -15.4899 -15.4899 -13.9593 -13.9593 -13.8334 -13.8334 -13.6485 -13.6485 -13.5718 -13.5718 6.1503 6.1503 8.3222 8.3222 9.9403 9.9403 10.0392 10.0392 10.9456 10.9456 15.0344 15.0344 16.7134 16.7134 16.8167 16.8167 17.0215 17.0215 k = 0.4412 0.4412-0.0000 ( 1892 PWs) bands (ev): -36.1138 -36.1138 -36.1100 -36.1100 -15.5659 -15.5659 -15.4884 -15.4884 -13.9569 -13.9569 -13.8307 -13.8307 -13.6491 -13.6491 -13.5712 -13.5712 6.1678 6.1678 8.2627 8.2627 9.9662 9.9662 10.0877 10.0877 10.9619 10.9619 14.9586 14.9586 16.6534 16.6534 16.7385 16.7385 17.0027 17.0027 k = 0.4338 0.4338-0.0000 ( 1892 PWs) bands (ev): -36.1149 -36.1149 -36.1101 -36.1101 -15.5636 -15.5636 -15.4866 -15.4866 -13.9541 -13.9541 -13.8276 -13.8276 -13.6497 -13.6497 -13.5706 -13.5706 6.1876 6.1876 8.1985 8.1985 9.9954 9.9954 10.1395 10.1395 10.9803 10.9803 14.8774 14.8774 16.5837 16.5837 16.6524 16.6524 16.9755 16.9755 k = 0.4265 0.4265-0.0000 ( 1888 PWs) bands (ev): -36.1160 -36.1160 -36.1102 -36.1102 -15.5611 -15.5611 -15.4845 -15.4845 -13.9511 -13.9511 -13.8241 -13.8241 -13.6506 -13.6506 -13.5696 -13.5696 6.2097 6.2097 8.1302 8.1302 10.0277 10.0277 10.1939 10.1939 11.0008 11.0008 14.7917 14.7917 16.5032 16.5032 16.5617 16.5617 16.9245 16.9245 k = 0.4191 0.4191-0.0000 ( 1886 PWs) bands (ev): -36.1173 -36.1173 -36.1104 -36.1104 -15.5584 -15.5584 -15.4822 -15.4822 -13.9478 -13.9478 -13.8203 -13.8203 -13.6517 -13.6517 -13.5685 -13.5685 6.2341 6.2341 8.0584 8.0584 10.0630 10.0630 10.2504 10.2504 11.0235 11.0235 14.7026 14.7026 16.4102 16.4102 16.4707 16.4707 16.8488 16.8488 k = 0.4118 0.4118-0.0000 ( 1878 PWs) bands (ev): -36.1187 -36.1187 -36.1104 -36.1104 -15.5556 -15.5556 -15.4796 -15.4796 -13.9442 -13.9442 -13.8160 -13.8160 -13.6530 -13.6530 -13.5670 -13.5670 6.2607 6.2607 7.9833 7.9833 10.1012 10.1012 10.3086 10.3086 11.0482 11.0482 14.6110 14.6110 16.3058 16.3058 16.3807 16.3807 16.7639 16.7639 k = 0.4044 0.4044-0.0000 ( 1878 PWs) bands (ev): -36.1203 -36.1203 -36.1106 -36.1106 -15.5526 -15.5526 -15.4767 -15.4767 -13.9405 -13.9405 -13.8114 -13.8114 -13.6545 -13.6545 -13.5653 -13.5653 6.2896 6.2896 7.9054 7.9054 10.1421 10.1421 10.3682 10.3682 11.0750 11.0750 14.5178 14.5178 16.1936 16.1936 16.2906 16.2906 16.6750 16.6750 k = 0.3971 0.3971-0.0000 ( 1878 PWs) bands (ev): -36.1219 -36.1219 -36.1108 -36.1108 -15.5496 -15.5496 -15.4735 -15.4735 -13.9365 -13.9365 -13.8064 -13.8064 -13.6562 -13.6562 -13.5632 -13.5632 6.3206 6.3206 7.8250 7.8250 10.1855 10.1855 10.4286 10.4286 11.1038 11.1038 14.4237 14.4237 16.0765 16.0765 16.1995 16.1995 16.5832 16.5832 k = 0.3897 0.3897-0.0000 ( 1882 PWs) bands (ev): -36.1238 -36.1238 -36.1110 -36.1110 -15.5466 -15.5466 -15.4700 -15.4700 -13.9323 -13.9323 -13.8010 -13.8010 -13.6582 -13.6582 -13.5609 -13.5609 6.3539 6.3539 7.7423 7.7423 10.2313 10.2313 10.4896 10.4896 11.1346 11.1346 14.3296 14.3296 15.9563 15.9563 16.1073 16.1073 16.4891 16.4891 k = 0.3824 0.3824-0.0000 ( 1886 PWs) bands (ev): -36.1257 -36.1257 -36.1112 -36.1112 -15.5435 -15.5435 -15.4661 -15.4661 -13.9279 -13.9279 -13.7953 -13.7953 -13.6604 -13.6604 -13.5582 -13.5582 6.3892 6.3892 7.6576 7.6576 10.2792 10.2792 10.5507 10.5507 11.1675 11.1675 14.2363 14.2363 15.8345 15.8345 16.0141 16.0141 16.3932 16.3932 k = 0.3750 0.3750-0.0000 ( 1890 PWs) bands (ev): -36.1278 -36.1278 -36.1114 -36.1114 -15.5405 -15.5405 -15.4618 -15.4618 -13.9234 -13.9234 -13.7892 -13.7892 -13.6627 -13.6627 -13.5552 -13.5552 6.4268 6.4268 7.5711 7.5711 10.3289 10.3289 10.6115 10.6115 11.2022 11.2022 14.1445 14.1445 15.7120 15.7120 15.9204 15.9204 16.2959 16.2959 k = 0.3676 0.3676-0.0000 ( 1886 PWs) bands (ev): -36.1299 -36.1299 -36.1116 -36.1116 -15.5375 -15.5375 -15.4573 -15.4573 -13.9187 -13.9187 -13.7827 -13.7827 -13.6652 -13.6652 -13.5520 -13.5520 6.4664 6.4664 7.4830 7.4830 10.3802 10.3802 10.6715 10.6715 11.2390 11.2390 14.0550 14.0550 15.5896 15.5896 15.8265 15.8265 16.1976 16.1976 k = 0.3603 0.3603-0.0000 ( 1886 PWs) bands (ev): -36.1320 -36.1320 -36.1118 -36.1118 -15.5346 -15.5346 -15.4523 -15.4523 -13.9140 -13.9140 -13.7758 -13.7758 -13.6678 -13.6678 -13.5484 -13.5484 6.5081 6.5081 7.3935 7.3935 10.4327 10.4327 10.7303 10.7303 11.2776 11.2776 13.9685 13.9685 15.4681 15.4681 15.7328 15.7328 16.0987 16.0987 k = 0.3529 0.3529-0.0000 ( 1880 PWs) bands (ev): -36.1342 -36.1342 -36.1120 -36.1120 -15.5318 -15.5318 -15.4470 -15.4470 -13.9091 -13.9091 -13.7687 -13.7687 -13.6705 -13.6705 -13.5446 -13.5446 6.5518 6.5518 7.3028 7.3028 10.4861 10.4861 10.7873 10.7873 11.3180 11.3180 13.8860 13.8860 15.3482 15.3482 15.6395 15.6395 15.9996 15.9996 k = 0.3456 0.3456-0.0000 ( 1880 PWs) bands (ev): -36.1365 -36.1365 -36.1123 -36.1123 -15.5290 -15.5290 -15.4413 -15.4413 -13.9043 -13.9043 -13.7612 -13.7612 -13.6731 -13.6731 -13.5405 -13.5405 6.5975 6.5975 7.2110 7.2110 10.5399 10.5399 10.8417 10.8417 11.3603 11.3603 13.8082 13.8082 15.2306 15.2306 15.5468 15.5468 15.9008 15.9008 k = 0.3382 0.3382-0.0000 ( 1878 PWs) bands (ev): -36.1389 -36.1389 -36.1125 -36.1125 -15.5265 -15.5265 -15.4353 -15.4353 -13.8994 -13.8994 -13.7534 -13.7534 -13.6757 -13.6757 -13.5362 -13.5362 6.6451 6.6451 7.1184 7.1184 10.5937 10.5937 10.8930 10.8930 11.4044 11.4044 13.7361 13.7361 15.1157 15.1157 15.4551 15.4551 15.8026 15.8026 k = 0.3309 0.3309-0.0000 ( 1878 PWs) bands (ev): -36.1414 -36.1414 -36.1128 -36.1128 -15.5240 -15.5240 -15.4289 -15.4289 -13.8945 -13.8945 -13.7454 -13.7454 -13.6781 -13.6781 -13.5316 -13.5316 6.6945 6.6945 7.0251 7.0251 10.6470 10.6470 10.9404 10.9404 11.4501 11.4501 13.6706 13.6706 15.0045 15.0045 15.3644 15.3644 15.7054 15.7054 k = 0.3235 0.3235-0.0000 ( 1878 PWs) bands (ev): -36.1439 -36.1439 -36.1131 -36.1131 -15.5217 -15.5217 -15.4222 -15.4222 -13.8896 -13.8896 -13.7373 -13.7373 -13.6802 -13.6802 -13.5269 -13.5269 6.7453 6.7453 6.9318 6.9318 10.6990 10.6990 10.9829 10.9829 11.4975 11.4975 13.6126 13.6126 14.8973 14.8973 15.2749 15.2749 15.6097 15.6097 k = 0.3162 0.3162-0.0000 ( 1880 PWs) bands (ev): -36.1466 -36.1466 -36.1133 -36.1133 -15.5195 -15.5195 -15.4153 -15.4153 -13.8849 -13.8849 -13.7293 -13.7293 -13.6818 -13.6818 -13.5219 -13.5219 6.7926 6.7926 6.8434 6.8434 10.7493 10.7493 11.0198 11.0198 11.5465 11.5465 13.5632 13.5632 14.7950 14.7950 15.1867 15.1867 15.5159 15.5159 k = 0.3088 0.3088-0.0000 ( 1876 PWs) bands (ev): -36.1492 -36.1492 -36.1136 -36.1136 -15.5174 -15.5174 -15.4080 -15.4080 -13.8802 -13.8802 -13.7216 -13.7216 -13.6825 -13.6825 -13.5168 -13.5168 6.7376 6.7376 6.8588 6.8588 10.7971 10.7971 11.0503 11.0503 11.5971 11.5971 13.5232 13.5232 14.6981 14.6981 15.1002 15.1002 15.4244 15.4244 k = 0.3015 0.3015-0.0000 ( 1870 PWs) bands (ev): -36.1519 -36.1519 -36.1138 -36.1138 -15.5155 -15.5155 -15.4005 -15.4005 -13.8758 -13.8758 -13.7149 -13.7149 -13.6817 -13.6817 -13.5115 -13.5115 6.6442 6.6442 6.9142 6.9142 10.8416 10.8416 11.0735 11.0735 11.6491 11.6491 13.4935 13.4935 14.6071 14.6071 15.0152 15.0152 15.3357 15.3357 k = 0.2941 0.2941-0.0000 ( 1874 PWs) bands (ev): -36.1547 -36.1547 -36.1141 -36.1141 -15.5137 -15.5137 -15.3928 -15.3928 -13.8716 -13.8716 -13.7099 -13.7099 -13.6787 -13.6787 -13.5061 -13.5061 6.5496 6.5496 6.9724 6.9724 10.8820 10.8820 11.0890 11.0890 11.7025 11.7025 13.4747 13.4747 14.5227 14.5227 14.9319 14.9319 15.2504 15.2504 k = 0.2868 0.2868-0.0000 ( 1870 PWs) bands (ev): -36.1574 -36.1574 -36.1144 -36.1144 -15.5121 -15.5121 -15.3849 -15.3849 -13.8676 -13.8676 -13.7069 -13.7069 -13.6730 -13.6730 -13.5006 -13.5006 6.4550 6.4550 7.0325 7.0325 10.9175 10.9175 11.0963 11.0963 11.7572 11.7572 13.4671 13.4671 14.4450 14.4450 14.8504 14.8504 15.1691 15.1691 k = 0.2794 0.2794-0.0000 ( 1874 PWs) bands (ev): -36.1603 -36.1603 -36.1147 -36.1147 -15.5105 -15.5105 -15.3769 -15.3769 -13.8639 -13.8639 -13.7054 -13.7054 -13.6652 -13.6652 -13.4950 -13.4950 6.3605 6.3605 7.0942 7.0942 10.9473 10.9473 11.0954 11.0954 11.8131 11.8131 13.4710 13.4710 14.3745 14.3745 14.7708 14.7708 15.0927 15.0927 k = 0.2721 0.2721-0.0000 ( 1872 PWs) bands (ev): -36.1631 -36.1631 -36.1150 -36.1150 -15.5091 -15.5091 -15.3687 -15.3687 -13.8607 -13.8607 -13.7046 -13.7046 -13.6560 -13.6560 -13.4893 -13.4893 6.2665 6.2665 7.1576 7.1576 10.9704 10.9704 11.0865 11.0865 11.8701 11.8701 13.4861 13.4861 14.3109 14.3109 14.6931 14.6931 15.0222 15.0222 k = 0.2647 0.2647-0.0000 ( 1866 PWs) bands (ev): -36.1660 -36.1660 -36.1152 -36.1152 -15.5078 -15.5078 -15.3603 -15.3603 -13.8578 -13.8578 -13.7040 -13.7040 -13.6460 -13.6460 -13.4835 -13.4835 6.1730 6.1730 7.2224 7.2224 10.9859 10.9859 11.0705 11.0705 11.9281 11.9281 13.5119 13.5119 14.2538 14.2538 14.6175 14.6175 14.9589 14.9589 k = 0.2574 0.2574-0.0000 ( 1862 PWs) bands (ev): -36.1688 -36.1688 -36.1155 -36.1155 -15.5066 -15.5066 -15.3519 -15.3519 -13.8553 -13.8553 -13.7032 -13.7032 -13.6354 -13.6354 -13.4776 -13.4776 6.0801 6.0801 7.2886 7.2886 10.9923 10.9923 11.0489 11.0489 11.9871 11.9871 13.5477 13.5477 14.2024 14.2024 14.5439 14.5439 14.9042 14.9042 k = 0.2500 0.2500-0.0000 ( 1862 PWs) bands (ev): -36.1716 -36.1716 -36.1158 -36.1158 -15.5056 -15.5056 -15.3435 -15.3435 -13.8534 -13.8534 -13.7021 -13.7021 -13.6244 -13.6244 -13.4718 -13.4718 5.9882 5.9882 7.3561 7.3561 10.9860 10.9860 11.0258 11.0258 12.0468 12.0468 13.5924 13.5924 14.1555 14.1555 14.4724 14.4724 14.8599 14.8599 k = 0.2426 0.2426-0.0000 ( 1858 PWs) bands (ev): -36.1744 -36.1744 -36.1162 -36.1162 -15.5046 -15.5046 -15.3349 -15.3349 -13.8519 -13.8519 -13.7006 -13.7006 -13.6132 -13.6132 -13.4658 -13.4658 5.8972 5.8972 7.4249 7.4249 10.9620 10.9620 11.0071 11.0071 12.1072 12.1072 13.6451 13.6451 14.1115 14.1115 14.4030 14.4030 14.8277 14.8277 k = 0.2353 0.2353-0.0000 ( 1861 PWs) bands (ev): -36.1773 -36.1773 -36.1165 -36.1165 -15.5038 -15.5038 -15.3264 -15.3264 -13.8508 -13.8508 -13.6986 -13.6986 -13.6017 -13.6017 -13.4599 -13.4599 5.8073 5.8073 7.4947 7.4947 10.9251 10.9251 10.9887 10.9887 12.1681 12.1681 13.7043 13.7043 14.0692 14.0692 14.3357 14.3357 14.8093 14.8093 k = 0.2279 0.2279-0.0000 ( 1867 PWs) bands (ev): -36.1802 -36.1802 -36.1169 -36.1169 -15.5030 -15.5030 -15.3179 -15.3179 -13.8502 -13.8502 -13.6961 -13.6961 -13.5901 -13.5901 -13.4540 -13.4540 5.7186 5.7186 7.5656 7.5656 10.8817 10.8817 10.9657 10.9657 12.2293 12.2293 13.7677 13.7677 14.0279 14.0279 14.2707 14.2707 14.8059 14.8059 k = 0.2206 0.2206-0.0000 ( 1861 PWs) bands (ev): -36.1829 -36.1829 -36.1172 -36.1172 -15.5024 -15.5024 -15.3094 -15.3094 -13.8501 -13.8501 -13.6932 -13.6932 -13.5784 -13.5784 -13.4481 -13.4481 5.6314 5.6314 7.6375 7.6375 10.8344 10.8344 10.9367 10.9367 12.2907 12.2907 13.8307 13.8307 13.9906 13.9906 14.2083 14.2083 14.8179 14.8179 k = 0.2132 0.2132-0.0000 ( 1861 PWs) bands (ev): -36.1857 -36.1857 -36.1175 -36.1175 -15.5019 -15.5019 -15.3009 -15.3009 -13.8503 -13.8503 -13.6899 -13.6899 -13.5667 -13.5667 -13.4422 -13.4422 5.5457 5.5457 7.7101 7.7101 10.7844 10.7844 10.9019 10.9019 12.3522 12.3522 13.8716 13.8716 13.9762 13.9762 14.1494 14.1494 14.8450 14.8450 k = 0.2059 0.2059-0.0000 ( 1871 PWs) bands (ev): -36.1886 -36.1886 -36.1178 -36.1178 -15.5014 -15.5014 -15.2926 -15.2926 -13.8509 -13.8509 -13.6861 -13.6861 -13.5549 -13.5549 -13.4364 -13.4364 5.4615 5.4615 7.7835 7.7835 10.7326 10.7326 10.8618 10.8618 12.4133 12.4133 13.8549 13.8549 14.0120 14.0120 14.1016 14.1016 14.8863 14.8863 k = 0.1985 0.1985-0.0000 ( 1871 PWs) bands (ev): -36.1914 -36.1914 -36.1181 -36.1181 -15.5010 -15.5010 -15.2843 -15.2843 -13.8517 -13.8517 -13.6821 -13.6821 -13.5431 -13.5431 -13.4306 -13.4306 5.3792 5.3792 7.8575 7.8575 10.6796 10.6796 10.8172 10.8172 12.4741 12.4741 13.8127 13.8127 14.0100 14.0100 14.1207 14.1207 14.9405 14.9405 k = 0.1912 0.1912-0.0000 ( 1871 PWs) bands (ev): -36.1941 -36.1941 -36.1184 -36.1184 -15.5008 -15.5008 -15.2761 -15.2761 -13.8528 -13.8528 -13.6777 -13.6777 -13.5314 -13.5314 -13.4249 -13.4249 5.2988 5.2988 7.9319 7.9319 10.6260 10.6260 10.7688 10.7688 12.5343 12.5343 13.7646 13.7646 13.9625 13.9625 14.1943 14.1943 15.0062 15.0062 k = 0.1838 0.1838-0.0000 ( 1871 PWs) bands (ev): -36.1967 -36.1967 -36.1187 -36.1187 -15.5005 -15.5005 -15.2681 -15.2681 -13.8541 -13.8541 -13.6731 -13.6731 -13.5198 -13.5198 -13.4193 -13.4193 5.2203 5.2203 8.0067 8.0067 10.5723 10.5723 10.7174 10.7174 12.5935 12.5935 13.7147 13.7147 13.9111 13.9111 14.2767 14.2767 15.0818 15.0818 k = 0.1765 0.1765-0.0000 ( 1863 PWs) bands (ev): -36.1993 -36.1993 -36.1189 -36.1189 -15.5004 -15.5004 -15.2602 -15.2602 -13.8556 -13.8556 -13.6684 -13.6684 -13.5083 -13.5083 -13.4138 -13.4138 5.1439 5.1439 8.0816 8.0816 10.5188 10.5188 10.6637 10.6637 12.6516 12.6516 13.6644 13.6644 13.8605 13.8605 14.3615 14.3615 15.1661 15.1661 k = 0.1691 0.1691-0.0000 ( 1863 PWs) bands (ev): -36.2018 -36.2018 -36.1192 -36.1192 -15.5003 -15.5003 -15.2525 -15.2525 -13.8572 -13.8572 -13.6635 -13.6635 -13.4970 -13.4970 -13.4083 -13.4083 5.0698 5.0698 8.1566 8.1566 10.4660 10.4660 10.6084 10.6084 12.7082 12.7082 13.6145 13.6145 13.8115 13.8115 14.4471 14.4471 15.2575 15.2575 k = 0.1618 0.1618-0.0000 ( 1863 PWs) bands (ev): -36.2043 -36.2043 -36.1195 -36.1195 -15.5003 -15.5003 -15.2450 -15.2450 -13.8589 -13.8589 -13.6585 -13.6585 -13.4858 -13.4858 -13.4031 -13.4031 4.9980 4.9980 8.2314 8.2314 10.4140 10.4140 10.5521 10.5521 12.7631 12.7631 13.5653 13.5653 13.7644 13.7644 14.5324 14.5324 15.3549 15.3549 k = 0.1544 0.1544-0.0000 ( 1863 PWs) bands (ev): -36.2067 -36.2067 -36.1198 -36.1198 -15.5004 -15.5004 -15.2377 -15.2377 -13.8606 -13.8606 -13.6535 -13.6535 -13.4749 -13.4749 -13.3979 -13.3979 4.9285 4.9285 8.3058 8.3058 10.3632 10.3632 10.4955 10.4955 12.8160 12.8160 13.5173 13.5173 13.7193 13.7193 14.6167 14.6167 15.4571 15.4571 k = 0.1471 0.1471-0.0000 ( 1863 PWs) bands (ev): -36.2090 -36.2090 -36.1200 -36.1200 -15.5005 -15.5005 -15.2306 -15.2306 -13.8623 -13.8623 -13.6485 -13.6485 -13.4642 -13.4642 -13.3929 -13.3929 4.8617 4.8617 8.3797 8.3797 10.3138 10.3138 10.4390 10.4390 12.8666 12.8666 13.4707 13.4707 13.6763 13.6763 14.6992 14.6992 15.5632 15.5632 k = 0.1397 0.1397-0.0000 ( 1863 PWs) bands (ev): -36.2113 -36.2113 -36.1202 -36.1202 -15.5007 -15.5007 -15.2238 -15.2238 -13.8640 -13.8640 -13.6435 -13.6435 -13.4538 -13.4538 -13.3881 -13.3881 4.7974 4.7974 8.4528 8.4528 10.2659 10.2659 10.3831 10.3831 12.9145 12.9145 13.4258 13.4258 13.6354 13.6354 14.7794 14.7794 15.6720 15.6720 k = 0.1324 0.1324-0.0000 ( 1867 PWs) bands (ev): -36.2134 -36.2134 -36.1206 -36.1206 -15.5009 -15.5009 -15.2172 -15.2172 -13.8657 -13.8657 -13.6386 -13.6386 -13.4438 -13.4438 -13.3834 -13.3834 4.7359 4.7359 8.5248 8.5248 10.2198 10.2198 10.3282 10.3282 12.9596 12.9596 13.3827 13.3827 13.5966 13.5966 14.8566 14.8566 15.6575 15.6575 k = 0.1250 0.1250-0.0000 ( 1867 PWs) bands (ev): -36.2155 -36.2155 -36.1208 -36.1208 -15.5011 -15.5011 -15.2108 -15.2108 -13.8674 -13.8674 -13.6337 -13.6337 -13.4341 -13.4341 -13.3790 -13.3790 4.6771 4.6771 8.5957 8.5957 10.1755 10.1755 10.2747 10.2747 13.0014 13.0014 13.3415 13.3415 13.5600 13.5600 14.9302 14.9302 15.6385 15.6385 k = 0.1176 0.1176-0.0000 ( 1867 PWs) bands (ev): -36.2174 -36.2174 -36.1210 -36.1210 -15.5013 -15.5013 -15.2048 -15.2048 -13.8690 -13.8690 -13.6291 -13.6291 -13.4247 -13.4247 -13.3747 -13.3747 4.6212 4.6212 8.6650 8.6650 10.1333 10.1333 10.2229 10.2229 13.0398 13.0398 13.3025 13.3025 13.5255 13.5255 14.9993 14.9993 15.6222 15.6222 k = 0.1103 0.1103-0.0000 ( 1867 PWs) bands (ev): -36.2193 -36.2193 -36.1212 -36.1212 -15.5016 -15.5016 -15.1991 -15.1991 -13.8706 -13.8706 -13.6245 -13.6245 -13.4158 -13.4158 -13.3706 -13.3706 4.5684 4.5684 8.7326 8.7326 10.0931 10.0931 10.1731 10.1731 13.0744 13.0744 13.2658 13.2658 13.4932 13.4932 15.0632 15.0632 15.6093 15.6093 k = 0.1029 0.1029-0.0000 ( 1869 PWs) bands (ev): -36.2211 -36.2211 -36.1215 -36.1215 -15.5019 -15.5019 -15.1936 -15.1936 -13.8721 -13.8721 -13.6202 -13.6202 -13.4073 -13.4073 -13.3667 -13.3667 4.5185 4.5185 8.7981 8.7981 10.0552 10.0552 10.1255 10.1255 13.1049 13.1049 13.2317 13.2317 13.4630 13.4630 15.1209 15.1209 15.6003 15.6003 k = 0.0956 0.0956-0.0000 ( 1869 PWs) bands (ev): -36.2228 -36.2228 -36.1217 -36.1217 -15.5022 -15.5022 -15.1885 -15.1885 -13.8735 -13.8735 -13.6160 -13.6160 -13.3993 -13.3993 -13.3630 -13.3630 4.4718 4.4718 8.8612 8.8612 10.0196 10.0196 10.0804 10.0804 13.1300 13.1300 13.2015 13.2015 13.4351 13.4351 15.1713 15.1713 15.5960 15.5960 k = 0.0882 0.0882-0.0000 ( 1869 PWs) bands (ev): -36.2243 -36.2243 -36.1218 -36.1218 -15.5025 -15.5025 -15.1838 -15.1838 -13.8748 -13.8748 -13.6121 -13.6121 -13.3918 -13.3918 -13.3596 -13.3596 4.4282 4.4282 8.9216 8.9216 9.9863 9.9863 10.0380 10.0380 13.1431 13.1431 13.1818 13.1818 13.4094 13.4094 15.2135 15.2135 15.5973 15.5973 k = 0.0809 0.0809-0.0000 ( 1865 PWs) bands (ev): -36.2258 -36.2258 -36.1219 -36.1219 -15.5028 -15.5028 -15.1793 -15.1793 -13.8760 -13.8760 -13.6085 -13.6085 -13.3848 -13.3848 -13.3564 -13.3564 4.3879 4.3879 8.9790 8.9790 9.9555 9.9555 9.9984 9.9984 13.1298 13.1298 13.1871 13.1871 13.3860 13.3860 15.2467 15.2467 15.6046 15.6046 k = 0.0735 0.0735-0.0000 ( 1861 PWs) bands (ev): -36.2271 -36.2271 -36.1220 -36.1220 -15.5031 -15.5031 -15.1753 -15.1753 -13.8771 -13.8771 -13.6051 -13.6051 -13.3783 -13.3783 -13.3534 -13.3534 4.3509 4.3509 9.0329 9.0329 9.9272 9.9272 9.9619 9.9619 13.1072 13.1072 13.2004 13.2004 13.3649 13.3649 15.2711 15.2711 15.6176 15.6176 k = 0.0662 0.0662-0.0000 ( 1865 PWs) bands (ev): -36.2283 -36.2283 -36.1222 -36.1222 -15.5034 -15.5034 -15.1716 -15.1716 -13.8782 -13.8782 -13.6019 -13.6019 -13.3724 -13.3724 -13.3507 -13.3507 4.3173 4.3173 9.0831 9.0831 9.9014 9.9014 9.9284 9.9284 13.0848 13.0848 13.2124 13.2124 13.3462 13.3462 15.2876 15.2876 15.6354 15.6354 k = 0.0588 0.0588-0.0000 ( 1869 PWs) bands (ev): -36.2294 -36.2294 -36.1224 -36.1224 -15.5036 -15.5036 -15.1682 -15.1682 -13.8791 -13.8791 -13.5991 -13.5991 -13.3671 -13.3671 -13.3482 -13.3482 4.2871 4.2871 9.1292 9.1292 9.8782 9.8782 9.8981 9.8981 13.0643 13.0643 13.2217 13.2217 13.3299 13.3299 15.2978 15.2978 15.6561 15.6561 k = 0.0515 0.0515-0.0000 ( 1869 PWs) bands (ev): -36.2304 -36.2304 -36.1225 -36.1225 -15.5039 -15.5039 -15.1652 -15.1652 -13.8799 -13.8799 -13.5966 -13.5966 -13.3624 -13.3624 -13.3460 -13.3460 4.2603 4.2603 9.1709 9.1709 9.8577 9.8577 9.8713 9.8713 13.0460 13.0460 13.2281 13.2281 13.3163 13.3163 15.3034 15.3034 15.6779 15.6779 k = 0.0441 0.0441-0.0000 ( 1869 PWs) bands (ev): -36.2312 -36.2312 -36.1226 -36.1226 -15.5041 -15.5041 -15.1627 -15.1627 -13.8806 -13.8806 -13.5943 -13.5943 -13.3584 -13.3584 -13.3440 -13.3440 4.2370 4.2370 9.2078 9.2078 9.8398 9.8398 9.8478 9.8478 13.0301 13.0301 13.2319 13.2319 13.3054 13.3054 15.3060 15.3060 15.6992 15.6992 k = 0.0368 0.0368-0.0000 ( 1869 PWs) bands (ev): -36.2319 -36.2319 -36.1227 -36.1227 -15.5043 -15.5043 -15.1605 -15.1605 -13.8812 -13.8812 -13.5925 -13.5925 -13.3550 -13.3550 -13.3422 -13.3422 4.2172 4.2172 9.2397 9.2397 9.8246 9.8246 9.8279 9.8279 13.0165 13.0165 13.2334 13.2334 13.2971 13.2971 15.3067 15.3067 15.7187 15.7187 k = 0.0294 0.0294-0.0000 ( 1865 PWs) bands (ev): -36.2325 -36.2325 -36.1227 -36.1227 -15.5045 -15.5045 -15.1587 -15.1587 -13.8817 -13.8817 -13.5909 -13.5909 -13.3522 -13.3522 -13.3408 -13.3408 4.2010 4.2010 9.2662 9.2662 9.8111 9.8111 9.8124 9.8124 13.0053 13.0053 13.2332 13.2332 13.2912 13.2912 15.3064 15.3064 15.7357 15.7357 k = 0.0221 0.0221-0.0000 ( 1861 PWs) bands (ev): -36.2329 -36.2329 -36.1228 -36.1228 -15.5046 -15.5046 -15.1573 -15.1573 -13.8821 -13.8821 -13.5897 -13.5897 -13.3501 -13.3501 -13.3396 -13.3396 4.1884 4.1884 9.2871 9.2871 9.7985 9.7985 9.8025 9.8025 12.9967 12.9967 13.2319 13.2319 13.2873 13.2873 15.3058 15.3058 15.7494 15.7494 k = 0.0147 0.0147-0.0000 ( 1859 PWs) bands (ev): -36.2333 -36.2333 -36.1228 -36.1228 -15.5047 -15.5047 -15.1563 -15.1563 -13.8824 -13.8824 -13.5888 -13.5888 -13.3486 -13.3486 -13.3387 -13.3387 4.1793 4.1793 9.3022 9.3022 9.7893 9.7893 9.7956 9.7956 12.9904 12.9904 13.2305 13.2305 13.2848 13.2848 15.3051 15.3051 15.7594 15.7594 k = 0.0074 0.0074-0.0000 ( 1855 PWs) bands (ev): -36.2334 -36.2334 -36.1228 -36.1228 -15.5047 -15.5047 -15.1556 -15.1556 -13.8825 -13.8825 -13.5883 -13.5883 -13.3477 -13.3477 -13.3382 -13.3382 4.1739 4.1739 9.3114 9.3114 9.7838 9.7838 9.7914 9.7914 12.9867 12.9867 13.2294 13.2294 13.2835 13.2835 15.3046 15.3046 15.7656 15.7656 k = 0.0000 0.0000 0.0000 ( 1859 PWs) bands (ev): -36.2335 -36.2335 -36.1228 -36.1228 -15.5047 -15.5047 -15.1554 -15.1554 -13.8826 -13.8826 -13.5881 -13.5881 -13.3474 -13.3474 -13.3380 -13.3380 4.1721 4.1721 9.3144 9.3144 9.7819 9.7819 9.7900 9.7900 12.9855 12.9855 13.2290 13.2290 13.2831 13.2831 15.3044 15.3044 15.7676 15.7676 k = 0.0000 0.0000 0.0000 ( 1859 PWs) bands (ev): -36.2335 -36.2335 -36.1228 -36.1228 -15.5047 -15.5047 -15.1554 -15.1554 -13.8826 -13.8826 -13.5881 -13.5881 -13.3474 -13.3474 -13.3380 -13.3380 4.1721 4.1721 9.3144 9.3144 9.7819 9.7819 9.7900 9.7900 12.9855 12.9855 13.2290 13.2290 13.2831 13.2831 15.3044 15.3044 15.7676 15.7676 k = 0.0000 0.0000 0.0103 ( 1859 PWs) bands (ev): -36.2335 -36.2335 -36.1229 -36.1229 -15.5045 -15.5045 -15.1556 -15.1556 -13.8823 -13.8823 -13.5880 -13.5880 -13.3475 -13.3475 -13.3383 -13.3383 4.1740 4.1740 9.2962 9.2962 9.7914 9.7914 9.7982 9.7982 12.9850 12.9850 13.2302 13.2302 13.2843 13.2843 15.3013 15.3013 15.7682 15.7682 k = 0.0000 0.0000 0.0207 ( 1859 PWs) bands (ev): -36.2333 -36.2333 -36.1231 -36.1231 -15.5039 -15.5039 -15.1562 -15.1562 -13.8815 -13.8815 -13.5877 -13.5877 -13.3479 -13.3479 -13.3393 -13.3393 4.1795 4.1795 9.2475 9.2475 9.7955 9.7955 9.8413 9.8413 12.9835 12.9835 13.2339 13.2339 13.2881 13.2881 15.2920 15.2920 15.7702 15.7702 k = 0.0000 0.0000 0.0310 ( 1855 PWs) bands (ev): -36.2329 -36.2329 -36.1234 -36.1234 -15.5029 -15.5029 -15.1572 -15.1572 -13.8802 -13.8802 -13.5871 -13.5871 -13.3485 -13.3485 -13.3410 -13.3410 4.1888 4.1888 9.1791 9.1791 9.8023 9.8023 9.9003 9.9003 12.9810 12.9810 13.2401 13.2401 13.2943 13.2943 15.2765 15.2765 15.7735 15.7735 k = 0.0000 0.0000 0.0413 ( 1855 PWs) bands (ev): -36.2324 -36.2324 -36.1239 -36.1239 -15.5015 -15.5015 -15.1585 -15.1585 -13.8784 -13.8784 -13.5863 -13.5863 -13.3494 -13.3494 -13.3432 -13.3432 4.2018 4.2018 9.0987 9.0987 9.8119 9.8119 9.9677 9.9677 12.9772 12.9772 13.2487 13.2487 13.3030 13.3030 15.2550 15.2550 15.7781 15.7781 k = 0.0000 0.0000 0.0517 ( 1867 PWs) bands (ev): -36.2319 -36.2319 -36.1246 -36.1246 -15.4997 -15.4997 -15.1602 -15.1602 -13.8761 -13.8761 -13.5854 -13.5854 -13.3506 -13.3506 -13.3462 -13.3462 4.2185 4.2185 9.0107 9.0107 9.8242 9.8242 10.0392 10.0392 12.9719 12.9719 13.2597 13.2597 13.3141 13.3141 15.2274 15.2274 15.7840 15.7840 k = 0.0000 0.0000 0.0620 ( 1875 PWs) bands (ev): -36.2312 -36.2312 -36.1254 -36.1254 -15.4975 -15.4975 -15.1623 -15.1623 -13.8733 -13.8733 -13.5842 -13.5842 -13.3520 -13.3520 -13.3497 -13.3497 4.2388 4.2388 8.9175 8.9175 9.8392 9.8392 10.1127 10.1127 12.9649 12.9649 13.2733 13.2733 13.3277 13.3277 15.1940 15.1940 15.7911 15.7911 k = 0.0000 0.0000 0.0723 ( 1875 PWs) bands (ev): -36.2304 -36.2304 -36.1262 -36.1262 -15.4949 -15.4949 -15.1648 -15.1648 -13.8699 -13.8699 -13.5828 -13.5828 -13.3539 -13.3539 -13.3536 -13.3536 4.2627 4.2627 8.8204 8.8204 9.8569 9.8569 10.1869 10.1869 12.9560 12.9560 13.2892 13.2892 13.3439 13.3439 15.1548 15.1548 15.7995 15.7995 k = 0.0000 0.0000 0.0827 ( 1875 PWs) bands (ev): -36.2295 -36.2295 -36.1271 -36.1271 -15.4920 -15.4920 -15.1676 -15.1676 -13.8661 -13.8661 -13.5812 -13.5812 -13.3586 -13.3586 -13.3555 -13.3555 4.2903 4.2903 8.7203 8.7203 9.8773 9.8773 10.2613 10.2613 12.9449 12.9449 13.3076 13.3076 13.3625 13.3625 15.1100 15.1100 15.8092 15.8092 k = 0.0000 0.0000 0.0930 ( 1876 PWs) bands (ev): -36.2285 -36.2285 -36.1281 -36.1281 -15.4886 -15.4886 -15.1708 -15.1708 -13.8618 -13.8618 -13.5795 -13.5795 -13.3639 -13.3639 -13.3577 -13.3577 4.3215 4.3215 8.6176 8.6176 9.9003 9.9003 10.3355 10.3355 12.9313 12.9313 13.3284 13.3284 13.3836 13.3836 15.0598 15.0598 15.8201 15.8201 k = 0.0000 0.0000 0.1033 ( 1876 PWs) bands (ev): -36.2274 -36.2274 -36.1293 -36.1293 -15.4849 -15.4849 -15.1744 -15.1744 -13.8569 -13.8569 -13.5776 -13.5776 -13.3698 -13.3698 -13.3600 -13.3600 4.3562 4.3562 8.5129 8.5129 9.9260 9.9260 10.4093 10.4093 12.9151 12.9151 13.3516 13.3516 13.4071 13.4071 15.0044 15.0044 15.8323 15.8323 k = 0.0000 0.0000 0.1137 ( 1880 PWs) bands (ev): -36.2262 -36.2262 -36.1306 -36.1306 -15.4809 -15.4809 -15.1783 -15.1783 -13.8516 -13.8516 -13.5755 -13.5755 -13.3761 -13.3761 -13.3626 -13.3626 4.3944 4.3944 8.4063 8.4063 9.9542 9.9542 10.4826 10.4826 12.8961 12.8961 13.3772 13.3772 13.4332 13.4332 14.9440 14.9440 15.8457 15.8457 k = 0.0000 0.0000 0.1240 ( 1880 PWs) bands (ev): -36.2248 -36.2248 -36.1319 -36.1319 -15.4765 -15.4765 -15.1825 -15.1825 -13.8459 -13.8459 -13.5733 -13.5733 -13.3829 -13.3829 -13.3654 -13.3654 4.4361 4.4361 8.2982 8.2982 9.9850 9.9850 10.5552 10.5552 12.8744 12.8744 13.4052 13.4052 13.4616 13.4616 14.8789 14.8789 15.8603 15.8603 k = 0.0000 0.0000 0.1343 ( 1880 PWs) bands (ev): -36.2233 -36.2233 -36.1334 -36.1334 -15.4717 -15.4717 -15.1871 -15.1871 -13.8396 -13.8396 -13.5710 -13.5710 -13.3902 -13.3902 -13.3684 -13.3684 4.4812 4.4812 8.1889 8.1889 10.0183 10.0183 10.6270 10.6270 12.8499 12.8499 13.4355 13.4355 13.4925 13.4925 14.8094 14.8094 15.8760 15.8760 k = 0.0000 0.0000 0.1446 ( 1896 PWs) bands (ev): -36.2219 -36.2219 -36.1351 -36.1351 -15.4666 -15.4666 -15.1919 -15.1919 -13.8330 -13.8330 -13.5687 -13.5687 -13.3978 -13.3978 -13.3716 -13.3716 4.5296 4.5296 8.0785 8.0785 10.0540 10.0540 10.6980 10.6980 12.8228 12.8228 13.4681 13.4681 13.5258 13.5258 14.7357 14.7357 15.8929 15.8929 k = 0.0000 0.0000 0.1550 ( 1888 PWs) bands (ev): -36.2202 -36.2202 -36.1367 -36.1367 -15.4612 -15.4612 -15.1971 -15.1971 -13.8258 -13.8258 -13.5663 -13.5663 -13.4057 -13.4057 -13.3750 -13.3750 4.5814 4.5814 7.9673 7.9673 10.0922 10.0922 10.7677 10.7677 12.7936 12.7936 13.5029 13.5029 13.5615 13.5615 14.6582 14.6582 15.9109 15.9109 k = 0.0000 0.0000 0.1653 ( 1892 PWs) bands (ev): -36.2184 -36.2184 -36.1385 -36.1385 -15.4556 -15.4556 -15.2026 -15.2026 -13.8183 -13.8183 -13.5639 -13.5639 -13.4139 -13.4139 -13.3786 -13.3786 4.6364 4.6364 7.8554 7.8554 10.1327 10.1327 10.8361 10.8361 12.7625 12.7625 13.5400 13.5400 13.5994 13.5994 14.5773 14.5773 15.9300 15.9300 k = 0.0000 0.0000 0.1756 ( 1892 PWs) bands (ev): -36.2166 -36.2166 -36.1404 -36.1404 -15.4496 -15.4496 -15.2084 -15.2084 -13.8103 -13.8103 -13.5617 -13.5617 -13.4222 -13.4222 -13.3824 -13.3824 4.6946 4.6946 7.7430 7.7430 10.1755 10.1755 10.9026 10.9026 12.7304 12.7304 13.5792 13.5792 13.6397 13.6397 14.4932 14.4932 15.9502 15.9502 k = 0.0000 0.0000 0.1860 ( 1892 PWs) bands (ev): -36.2146 -36.2146 -36.1424 -36.1424 -15.4433 -15.4433 -15.2144 -15.2144 -13.8019 -13.8019 -13.5596 -13.5596 -13.4306 -13.4306 -13.3863 -13.3863 4.7559 4.7559 7.6303 7.6303 10.2205 10.2205 10.9666 10.9666 12.6979 12.6979 13.6204 13.6204 13.6822 13.6822 14.4064 14.4064 15.9709 15.9709 k = 0.0000 0.0000 0.1963 ( 1900 PWs) bands (ev): -36.2126 -36.2126 -36.1445 -36.1445 -15.4368 -15.4368 -15.2207 -15.2207 -13.7932 -13.7932 -13.5578 -13.5578 -13.4389 -13.4389 -13.3904 -13.3904 4.8203 4.8203 7.5173 7.5173 10.2676 10.2676 11.0276 11.0276 12.6662 12.6662 13.6634 13.6634 13.7268 13.7268 14.3173 14.3173 15.9297 15.9297 k = 0.0000 0.0000 0.2066 ( 1900 PWs) bands (ev): -36.2105 -36.2105 -36.1466 -36.1466 -15.4301 -15.4301 -15.2273 -15.2273 -13.7841 -13.7841 -13.5566 -13.5566 -13.4468 -13.4468 -13.3946 -13.3946 4.8877 4.8877 7.4044 7.4044 10.3167 10.3167 11.0845 11.0845 12.6365 12.6365 13.7078 13.7078 13.7735 13.7735 14.2267 14.2267 15.8327 15.8327 k = 0.0000 0.0000 0.2170 ( 1892 PWs) bands (ev): -36.2082 -36.2082 -36.1488 -36.1488 -15.4231 -15.4231 -15.2341 -15.2341 -13.7746 -13.7746 -13.5560 -13.5560 -13.4542 -13.4542 -13.3990 -13.3990 4.9580 4.9580 7.2917 7.2917 10.3677 10.3677 11.1363 11.1363 12.6102 12.6102 13.7530 13.7530 13.8222 13.8222 14.1355 14.1355 15.7365 15.7365 k = 0.0000 0.0000 0.2273 ( 1892 PWs) bands (ev): -36.2060 -36.2060 -36.1511 -36.1511 -15.4159 -15.4159 -15.2411 -15.2411 -13.7648 -13.7648 -13.5564 -13.5564 -13.4608 -13.4608 -13.4034 -13.4034 5.0312 5.0312 7.1793 7.1793 10.4205 10.4205 11.1816 11.1816 12.5890 12.5890 13.7963 13.7963 13.8727 13.8727 14.0465 14.0465 15.6419 15.6419 k = 0.0000 0.0000 0.2376 ( 1884 PWs) bands (ev): -36.2037 -36.2037 -36.1532 -36.1532 -15.4085 -15.4085 -15.2483 -15.2483 -13.7547 -13.7547 -13.5581 -13.5581 -13.4662 -13.4662 -13.4080 -13.4080 5.1072 5.1072 7.0673 7.0673 10.4749 10.4749 11.2191 11.2191 12.5748 12.5748 13.8263 13.8263 13.9248 13.9248 13.9713 13.9713 15.5492 15.5492 k = 0.0000 0.0000 0.2480 ( 1888 PWs) bands (ev): -36.2014 -36.2014 -36.1556 -36.1556 -15.4010 -15.4010 -15.2557 -15.2557 -13.7443 -13.7443 -13.5613 -13.5613 -13.4702 -13.4702 -13.4126 -13.4126 5.1858 5.1858 6.9559 6.9559 10.5307 10.5307 11.2471 11.2471 12.5693 12.5693 13.7989 13.7989 13.9543 13.9543 13.9783 13.9783 15.4588 15.4588 k = 0.0000 0.0000 0.2583 ( 1872 PWs) bands (ev): -36.1990 -36.1990 -36.1578 -36.1578 -15.3932 -15.3932 -15.2633 -15.2633 -13.7336 -13.7336 -13.5661 -13.5661 -13.4727 -13.4727 -13.4173 -13.4173 5.2670 5.2670 6.8452 6.8452 10.5878 10.5878 11.2647 11.2647 12.5740 12.5740 13.7190 13.7190 13.9907 13.9907 14.0328 14.0328 15.3712 15.3712 k = 0.0000 0.0000 0.2686 ( 1884 PWs) bands (ev): -36.1967 -36.1967 -36.1603 -36.1603 -15.3854 -15.3854 -15.2710 -15.2710 -13.7227 -13.7227 -13.5725 -13.5725 -13.4737 -13.4737 -13.4221 -13.4221 5.3508 5.3508 6.7353 6.7353 10.6459 10.6459 11.2709 11.2709 12.5901 12.5901 13.6269 13.6269 14.0402 14.0402 14.0877 14.0877 15.2869 15.2869 k = 0.0000 0.0000 0.2790 ( 1884 PWs) bands (ev): -36.1942 -36.1942 -36.1628 -36.1628 -15.3774 -15.3774 -15.2789 -15.2789 -13.7116 -13.7116 -13.5802 -13.5802 -13.4733 -13.4733 -13.4269 -13.4269 5.4369 5.4369 6.6264 6.6264 10.7048 10.7048 11.2657 11.2657 12.6178 12.6178 13.5320 13.5320 14.0933 14.0933 14.1424 14.1424 15.2069 15.2069 k = 0.0000 0.0000 0.2893 ( 1880 PWs) bands (ev): -36.1916 -36.1916 -36.1653 -36.1653 -15.3693 -15.3693 -15.2869 -15.2869 -13.7004 -13.7004 -13.5891 -13.5891 -13.4718 -13.4718 -13.4317 -13.4317 5.5255 5.5255 6.5186 6.5186 10.7641 10.7641 11.2498 11.2498 12.6569 12.6569 13.4367 13.4367 14.1472 14.1472 14.1957 14.1957 15.1322 15.1322 k = 0.0000 0.0000 0.2996 ( 1880 PWs) bands (ev): -36.1891 -36.1891 -36.1679 -36.1679 -15.3611 -15.3611 -15.2949 -15.2949 -13.6889 -13.6889 -13.5989 -13.5989 -13.4695 -13.4695 -13.4365 -13.4365 5.6163 5.6163 6.4120 6.4120 10.8234 10.8234 11.2240 11.2240 12.7066 12.7066 13.3422 13.3422 14.2001 14.2001 14.2458 14.2458 15.0649 15.0649 k = 0.0000 0.0000 0.3100 ( 1872 PWs) bands (ev): -36.1863 -36.1863 -36.1705 -36.1705 -15.3529 -15.3529 -15.3031 -15.3031 -13.6774 -13.6774 -13.6093 -13.6093 -13.4665 -13.4665 -13.4412 -13.4412 5.7092 5.7092 6.3068 6.3068 10.8824 10.8824 11.1899 11.1899 12.7656 12.7656 13.2491 13.2491 14.2498 14.2498 14.2899 14.2899 15.0076 15.0076 k = 0.0000 0.0000 0.3203 ( 1872 PWs) bands (ev): -36.1837 -36.1837 -36.1731 -36.1731 -15.3446 -15.3446 -15.3114 -15.3114 -13.6658 -13.6658 -13.6201 -13.6201 -13.4630 -13.4630 -13.4459 -13.4459 5.8042 5.8042 6.2029 6.2029 10.9404 10.9404 11.1487 11.1487 12.8327 12.8327 13.1583 13.1583 14.2933 14.2933 14.3240 14.3240 14.9645 14.9645 k = 0.0000 0.0000 0.3306 ( 1868 PWs) bands (ev): -36.1810 -36.1810 -36.1758 -36.1758 -15.3363 -15.3363 -15.3196 -15.3196 -13.6543 -13.6543 -13.6313 -13.6313 -13.4591 -13.4591 -13.4505 -13.4505 5.9012 5.9012 6.1007 6.1007 10.9969 10.9969 11.1021 11.1021 12.9067 12.9067 13.0704 13.0704 14.3264 14.3264 14.3434 14.3434 14.9402 14.9402 k = 0.0000 0.0000 0.3410 ( 1868 PWs) bands (ev): -36.1784 -36.1784 -36.1784 -36.1784 -15.3279 -15.3279 -15.3279 -15.3279 -13.6427 -13.6427 -13.6427 -13.6427 -13.4549 -13.4549 -13.4549 -13.4549 6.0001 6.0001 6.0001 6.0001 11.0511 11.0511 11.0511 11.0511 12.9862 12.9862 12.9862 12.9862 14.3443 14.3443 14.3443 14.3443 14.9387 14.9387 k = 0.0000 0.0000 0.3410 ( 1868 PWs) bands (ev): -36.1784 -36.1784 -36.1784 -36.1784 -15.3279 -15.3279 -15.3279 -15.3279 -13.6427 -13.6427 -13.6427 -13.6427 -13.4549 -13.4549 -13.4549 -13.4549 6.0001 6.0001 6.0001 6.0001 11.0511 11.0511 11.0511 11.0511 12.9862 12.9862 12.9862 12.9862 14.3443 14.3443 14.3443 14.3443 14.9387 14.9387 k = 0.0000 0.0104 0.3410 ( 1870 PWs) bands (ev): -36.1784 -36.1784 -36.1784 -36.1784 -15.3288 -15.3288 -15.3273 -15.3273 -13.6463 -13.6463 -13.6395 -13.6395 -13.4574 -13.4574 -13.4525 -13.4525 5.9991 5.9991 6.0026 6.0026 11.0509 11.0509 11.0529 11.0529 12.9833 12.9833 12.9860 12.9860 14.3420 14.3420 14.3496 14.3496 14.9368 14.9368 k = 0.0000 0.0208 0.3410 ( 1866 PWs) bands (ev): -36.1783 -36.1783 -36.1782 -36.1782 -15.3299 -15.3299 -15.3270 -15.3270 -13.6501 -13.6501 -13.6366 -13.6366 -13.4602 -13.4602 -13.4502 -13.4502 5.9975 5.9975 6.0091 6.0091 11.0507 11.0507 11.0580 11.0580 12.9760 12.9760 12.9841 12.9841 14.3373 14.3373 14.3634 14.3634 14.9312 14.9312 k = 0.0000 0.0312 0.3410 ( 1862 PWs) bands (ev): -36.1781 -36.1781 -36.1780 -36.1780 -15.3313 -15.3313 -15.3268 -15.3268 -13.6543 -13.6543 -13.6340 -13.6340 -13.4631 -13.4631 -13.4481 -13.4481 5.9949 5.9949 6.0199 6.0199 11.0504 11.0504 11.0664 11.0664 12.9644 12.9644 12.9808 12.9808 14.3295 14.3295 14.3858 14.3858 14.9221 14.9221 k = 0.0000 0.0417 0.3410 ( 1870 PWs) bands (ev): -36.1779 -36.1779 -36.1778 -36.1778 -15.3329 -15.3329 -15.3269 -15.3269 -13.6587 -13.6587 -13.6317 -13.6317 -13.4661 -13.4661 -13.4462 -13.4462 5.9911 5.9911 6.0349 6.0349 11.0498 11.0498 11.0781 11.0781 12.9491 12.9491 12.9762 12.9762 14.3186 14.3186 14.4163 14.4163 14.9094 14.9094 k = 0.0000 0.0521 0.3410 ( 1870 PWs) bands (ev): -36.1776 -36.1776 -36.1774 -36.1774 -15.3348 -15.3348 -15.3273 -15.3273 -13.6635 -13.6635 -13.6298 -13.6298 -13.4692 -13.4692 -13.4445 -13.4445 5.9863 5.9863 6.0541 6.0541 11.0490 11.0490 11.0931 11.0931 12.9307 12.9307 12.9704 12.9704 14.3047 14.3047 14.4541 14.4541 14.8933 14.8933 k = 0.0000 0.0625 0.3410 ( 1870 PWs) bands (ev): -36.1772 -36.1772 -36.1770 -36.1770 -15.3369 -15.3369 -15.3278 -15.3278 -13.6685 -13.6685 -13.6282 -13.6282 -13.4725 -13.4725 -13.4428 -13.4428 5.9804 5.9804 6.0774 6.0774 11.0479 11.0479 11.1115 11.1115 12.9101 12.9101 12.9636 12.9636 14.2880 14.2880 14.4983 14.4983 14.8741 14.8741 k = 0.0000 0.0729 0.3410 ( 1872 PWs) bands (ev): -36.1768 -36.1768 -36.1765 -36.1765 -15.3393 -15.3393 -15.3286 -15.3286 -13.6738 -13.6738 -13.6270 -13.6270 -13.4757 -13.4757 -13.4413 -13.4413 5.9735 5.9735 6.1048 6.1048 11.0463 11.0463 11.1332 11.1332 12.8880 12.8880 12.9557 12.9557 14.2684 14.2684 14.5481 14.5481 14.8519 14.8519 k = 0.0000 0.0833 0.3410 ( 1868 PWs) bands (ev): -36.1763 -36.1763 -36.1759 -36.1759 -15.3419 -15.3419 -15.3296 -15.3296 -13.6795 -13.6795 -13.6262 -13.6262 -13.4790 -13.4790 -13.4399 -13.4399 5.9654 5.9654 6.1363 6.1363 11.0442 11.0442 11.1581 11.1581 12.8651 12.8651 12.9471 12.9471 14.2462 14.2462 14.6022 14.6022 14.8274 14.8274 k = 0.0000 0.0938 0.3410 ( 1868 PWs) bands (ev): -36.1757 -36.1757 -36.1752 -36.1752 -15.3448 -15.3448 -15.3308 -15.3308 -13.6854 -13.6854 -13.6258 -13.6258 -13.4823 -13.4823 -13.4386 -13.4386 5.9562 5.9562 6.1717 6.1717 11.0414 11.0414 11.1862 11.1862 12.8420 12.8420 12.9379 12.9379 14.2214 14.2214 14.6591 14.6591 14.8018 14.8018 k = 0.0000 0.1042 0.3410 ( 1880 PWs) bands (ev): -36.1752 -36.1752 -36.1746 -36.1746 -15.3479 -15.3479 -15.3323 -15.3323 -13.6915 -13.6915 -13.6259 -13.6259 -13.4855 -13.4855 -13.4373 -13.4373 5.9459 5.9459 6.2109 6.2109 11.0378 11.0378 11.2175 11.2175 12.8195 12.8195 12.9282 12.9282 14.1943 14.1943 14.7108 14.7108 14.7823 14.7823 k = 0.0000 0.1146 0.3410 ( 1880 PWs) bands (ev): -36.1745 -36.1745 -36.1738 -36.1738 -15.3513 -15.3513 -15.3339 -15.3339 -13.6980 -13.6980 -13.6265 -13.6265 -13.4885 -13.4885 -13.4361 -13.4361 5.9346 5.9346 6.2539 6.2539 11.0333 11.0333 11.2519 11.2519 12.7978 12.7978 12.9182 12.9182 14.1649 14.1649 14.7176 14.7176 14.8087 14.8087 k = 0.0000 0.1250 0.3410 ( 1880 PWs) bands (ev): -36.1738 -36.1738 -36.1730 -36.1730 -15.3549 -15.3549 -15.3358 -15.3358 -13.7046 -13.7046 -13.6275 -13.6275 -13.4914 -13.4914 -13.4350 -13.4350 5.9221 5.9221 6.3004 6.3004 11.0277 11.0277 11.2893 11.2893 12.7775 12.7775 12.9083 12.9083 14.1335 14.1335 14.6893 14.6893 14.8707 14.8707 k = 0.0000 0.1354 0.3410 ( 1884 PWs) bands (ev): -36.1730 -36.1730 -36.1721 -36.1721 -15.3588 -15.3588 -15.3378 -15.3378 -13.7115 -13.7115 -13.6291 -13.6291 -13.4941 -13.4941 -13.4339 -13.4339 5.9086 5.9086 6.3505 6.3505 11.0208 11.0208 11.3296 11.3296 12.7589 12.7589 12.8986 12.8986 14.1003 14.1003 14.6543 14.6543 14.9397 14.9397 k = 0.0000 0.1458 0.3410 ( 1884 PWs) bands (ev): -36.1722 -36.1722 -36.1712 -36.1712 -15.3628 -15.3628 -15.3400 -15.3400 -13.7186 -13.7186 -13.6312 -13.6312 -13.4965 -13.4965 -13.4327 -13.4327 5.8941 5.8941 6.4038 6.4038 11.0125 11.0125 11.3727 11.3727 12.7423 12.7423 12.8893 12.8893 14.0653 14.0653 14.6165 14.6165 15.0117 15.0117 k = 0.0000 0.1562 0.3410 ( 1884 PWs) bands (ev): -36.1714 -36.1714 -36.1702 -36.1702 -15.3672 -15.3672 -15.3424 -15.3424 -13.7258 -13.7258 -13.6338 -13.6338 -13.4986 -13.4986 -13.4316 -13.4316 5.8785 5.8785 6.4604 6.4604 11.0027 11.0027 11.4185 11.4185 12.7278 12.7278 12.8808 12.8808 14.0289 14.0289 14.5770 14.5770 15.0856 15.0856 k = 0.0000 0.1667 0.3410 ( 1884 PWs) bands (ev): -36.1705 -36.1705 -36.1691 -36.1691 -15.3717 -15.3717 -15.3449 -15.3449 -13.7332 -13.7332 -13.6370 -13.6370 -13.5004 -13.5004 -13.4305 -13.4305 5.8620 5.8620 6.5200 6.5200 10.9911 10.9911 11.4668 11.4668 12.7158 12.7158 12.8733 12.8733 13.9912 13.9912 14.5361 14.5361 15.1609 15.1609 k = 0.0000 0.1771 0.3410 ( 1882 PWs) bands (ev): -36.1695 -36.1695 -36.1680 -36.1680 -15.3764 -15.3764 -15.3476 -15.3476 -13.7408 -13.7408 -13.6406 -13.6406 -13.5019 -13.5019 -13.4294 -13.4294 5.8446 5.8446 6.5824 6.5824 10.9777 10.9777 11.5175 11.5175 12.7062 12.7062 12.8669 12.8669 13.9524 13.9524 14.4941 14.4941 15.2372 15.2372 k = 0.0000 0.1875 0.3410 ( 1878 PWs) bands (ev): -36.1685 -36.1685 -36.1669 -36.1669 -15.3813 -15.3813 -15.3504 -15.3504 -13.7484 -13.7484 -13.6447 -13.6447 -13.5030 -13.5030 -13.4282 -13.4282 5.8263 5.8263 6.6476 6.6476 10.9622 10.9622 11.5703 11.5703 12.6993 12.6993 12.8619 12.8619 13.9127 13.9127 14.4514 14.4514 15.3145 15.3145 k = 0.0000 0.1979 0.3410 ( 1878 PWs) bands (ev): -36.1676 -36.1676 -36.1657 -36.1657 -15.3864 -15.3864 -15.3534 -15.3534 -13.7561 -13.7561 -13.6493 -13.6493 -13.5039 -13.5039 -13.4270 -13.4270 5.8073 5.8073 6.7153 6.7153 10.9448 10.9448 11.6250 11.6250 12.6951 12.6951 12.8585 12.8585 13.8724 13.8724 14.4081 14.4081 15.3920 15.3920 k = 0.0000 0.2083 0.3410 ( 1878 PWs) bands (ev): -36.1666 -36.1666 -36.1645 -36.1645 -15.3916 -15.3916 -15.3565 -15.3565 -13.7638 -13.7638 -13.6542 -13.6542 -13.5045 -13.5045 -13.4258 -13.4258 5.7875 5.7875 6.7853 6.7853 10.9251 10.9251 11.6814 11.6814 12.6936 12.6936 12.8568 12.8568 13.8316 13.8316 14.3645 14.3645 15.4456 15.4456 k = 0.0000 0.2188 0.3410 ( 1870 PWs) bands (ev): -36.1655 -36.1655 -36.1633 -36.1633 -15.3970 -15.3970 -15.3597 -15.3597 -13.7716 -13.7716 -13.6595 -13.6595 -13.5048 -13.5048 -13.4245 -13.4245 5.7671 5.7671 6.8574 6.8574 10.9033 10.9033 11.7393 11.7393 12.6949 12.6949 12.8569 12.8569 13.7905 13.7905 14.3208 14.3208 15.5004 15.5004 k = 0.0000 0.2292 0.3410 ( 1882 PWs) bands (ev): -36.1645 -36.1645 -36.1621 -36.1621 -15.4025 -15.4025 -15.3630 -15.3630 -13.7793 -13.7793 -13.6650 -13.6650 -13.5049 -13.5049 -13.4233 -13.4233 5.7462 5.7462 6.9314 6.9314 10.8792 10.8792 11.7981 11.7981 12.6989 12.6989 12.8589 12.8589 13.7492 13.7492 14.2771 14.2771 15.5578 15.5578 k = 0.0000 0.2396 0.3410 ( 1882 PWs) bands (ev): -36.1635 -36.1635 -36.1609 -36.1609 -15.4081 -15.4081 -15.3664 -15.3664 -13.7870 -13.7870 -13.6708 -13.6708 -13.5047 -13.5047 -13.4219 -13.4219 5.7248 5.7248 7.0071 7.0071 10.8530 10.8530 11.8578 11.8578 12.7058 12.7058 12.8629 12.8629 13.7081 13.7081 14.2337 14.2337 15.6177 15.6177 k = 0.0000 0.2500 0.3410 ( 1882 PWs) bands (ev): -36.1624 -36.1624 -36.1597 -36.1597 -15.4138 -15.4138 -15.3698 -15.3698 -13.7945 -13.7945 -13.6767 -13.6767 -13.5044 -13.5044 -13.4206 -13.4206 5.7031 5.7031 7.0842 7.0842 10.8246 10.8246 11.9179 11.9179 12.7153 12.7153 12.8688 12.8688 13.6672 13.6672 14.1907 14.1907 15.6802 15.6802 k = 0.0000 0.2604 0.3410 ( 1878 PWs) bands (ev): -36.1613 -36.1613 -36.1584 -36.1584 -15.4195 -15.4195 -15.3733 -15.3733 -13.8020 -13.8020 -13.6827 -13.6827 -13.5039 -13.5039 -13.4193 -13.4193 5.6812 5.6812 7.1627 7.1627 10.7941 10.7941 11.9781 11.9781 12.7275 12.7275 12.8766 12.8766 13.6268 13.6268 14.1483 14.1483 15.7449 15.7449 k = 0.0000 0.2708 0.3410 ( 1878 PWs) bands (ev): -36.1603 -36.1603 -36.1572 -36.1572 -15.4253 -15.4253 -15.3768 -15.3768 -13.8093 -13.8093 -13.6888 -13.6888 -13.5033 -13.5033 -13.4179 -13.4179 5.6592 5.6592 7.2421 7.2421 10.7616 10.7616 12.0379 12.0379 12.7424 12.7424 12.8862 12.8862 13.5870 13.5870 14.1066 14.1066 15.8118 15.8118 k = 0.0000 0.2812 0.3410 ( 1876 PWs) bands (ev): -36.1592 -36.1592 -36.1559 -36.1559 -15.4311 -15.4311 -15.3803 -15.3803 -13.8164 -13.8164 -13.6949 -13.6949 -13.5026 -13.5026 -13.4165 -13.4165 5.6371 5.6371 7.3223 7.3223 10.7272 10.7272 12.0969 12.0969 12.7599 12.7599 12.8975 12.8975 13.5479 13.5479 14.0658 14.0658 15.8807 15.8807 k = 0.0000 0.2917 0.3410 ( 1880 PWs) bands (ev): -36.1582 -36.1582 -36.1548 -36.1548 -15.4369 -15.4369 -15.3839 -15.3839 -13.8234 -13.8234 -13.7009 -13.7009 -13.5019 -13.5019 -13.4152 -13.4152 5.6152 5.6152 7.4031 7.4031 10.6911 10.6911 12.1548 12.1548 12.7798 12.7798 12.9104 12.9104 13.5098 13.5098 14.0260 14.0260 15.9513 15.9513 k = 0.0000 0.3021 0.3410 ( 1874 PWs) bands (ev): -36.1572 -36.1572 -36.1535 -36.1535 -15.4426 -15.4426 -15.3874 -15.3874 -13.8301 -13.8301 -13.7069 -13.7069 -13.5010 -13.5010 -13.4138 -13.4138 5.5935 5.5935 7.4841 7.4841 10.6535 10.6535 12.2112 12.2112 12.8020 12.8020 12.9246 12.9246 13.4727 13.4727 13.9874 13.9874 16.0234 16.0234 k = 0.0000 0.3125 0.3410 ( 1874 PWs) bands (ev): -36.1562 -36.1562 -36.1524 -36.1524 -15.4483 -15.4483 -15.3909 -15.3909 -13.8366 -13.8366 -13.7128 -13.7128 -13.5001 -13.5001 -13.4124 -13.4124 5.5721 5.5721 7.5651 7.5651 10.6144 10.6144 12.2657 12.2657 12.8264 12.8264 12.9401 12.9401 13.4367 13.4367 13.9501 13.9501 16.0968 16.0968 k = 0.0000 0.3229 0.3410 ( 1870 PWs) bands (ev): -36.1552 -36.1552 -36.1512 -36.1512 -15.4539 -15.4539 -15.3943 -15.3943 -13.8428 -13.8428 -13.7185 -13.7185 -13.4992 -13.4992 -13.4111 -13.4111 5.5512 5.5512 7.6458 7.6458 10.5741 10.5741 12.3180 12.3180 12.8528 12.8528 12.9565 12.9565 13.4021 13.4021 13.9142 13.9142 16.1711 16.1711 k = 0.0000 0.3333 0.3410 ( 1870 PWs) bands (ev): -36.1542 -36.1542 -36.1501 -36.1501 -15.4593 -15.4593 -15.3977 -15.3977 -13.8488 -13.8488 -13.7240 -13.7240 -13.4983 -13.4983 -13.4098 -13.4098 5.5308 5.5308 7.7259 7.7259 10.5328 10.5328 12.3677 12.3677 12.8808 12.8808 12.9737 12.9737 13.3690 13.3690 13.8798 13.8798 16.2461 16.2461 k = 0.0000 0.3438 0.3410 ( 1870 PWs) bands (ev): -36.1533 -36.1533 -36.1491 -36.1491 -15.4646 -15.4646 -15.4009 -15.4009 -13.8544 -13.8544 -13.7293 -13.7293 -13.4973 -13.4973 -13.4085 -13.4085 5.5111 5.5111 7.8052 7.8052 10.4906 10.4906 12.4147 12.4147 12.9101 12.9101 12.9913 12.9913 13.3375 13.3375 13.8470 13.8470 16.3213 16.3213 k = 0.0000 0.3542 0.3410 ( 1880 PWs) bands (ev): -36.1525 -36.1525 -36.1481 -36.1481 -15.4697 -15.4697 -15.4041 -15.4041 -13.8598 -13.8598 -13.7344 -13.7344 -13.4964 -13.4964 -13.4073 -13.4073 5.4921 5.4921 7.8832 7.8832 10.4479 10.4479 12.4588 12.4588 12.9403 12.9403 13.0093 13.0093 13.3076 13.3076 13.8158 13.8158 16.3963 16.3963 k = 0.0000 0.3646 0.3410 ( 1884 PWs) bands (ev): -36.1518 -36.1518 -36.1472 -36.1472 -15.4746 -15.4746 -15.4071 -15.4071 -13.8648 -13.8648 -13.7392 -13.7392 -13.4955 -13.4955 -13.4061 -13.4061 5.4740 5.4740 7.9596 7.9596 10.4049 10.4049 12.4999 12.4999 12.9710 12.9710 13.0272 13.0272 13.2796 13.2796 13.7865 13.7865 16.4706 16.4706 k = 0.0000 0.3750 0.3410 ( 1884 PWs) bands (ev): -36.1510 -36.1510 -36.1463 -36.1463 -15.4793 -15.4793 -15.4100 -15.4100 -13.8695 -13.8695 -13.7438 -13.7438 -13.4946 -13.4946 -13.4050 -13.4050 5.4569 5.4569 8.0341 8.0341 10.3619 10.3619 12.5380 12.5380 13.0015 13.0015 13.0449 13.0449 13.2536 13.2536 13.7591 13.7591 16.5436 16.5436 k = 0.0000 0.3854 0.3410 ( 1882 PWs) bands (ev): -36.1502 -36.1502 -36.1454 -36.1454 -15.4836 -15.4836 -15.4127 -15.4127 -13.8738 -13.8738 -13.7480 -13.7480 -13.4938 -13.4938 -13.4039 -13.4039 5.4408 5.4408 8.1062 8.1062 10.3192 10.3192 12.5731 12.5731 13.0312 13.0312 13.0622 13.0622 13.2299 13.2299 13.7336 13.7336 16.6140 16.6140 k = 0.0000 0.3958 0.3410 ( 1878 PWs) bands (ev): -36.1495 -36.1495 -36.1446 -36.1446 -15.4877 -15.4877 -15.4153 -15.4153 -13.8778 -13.8778 -13.7520 -13.7520 -13.4930 -13.4930 -13.4029 -13.4029 5.4258 5.4258 8.1755 8.1755 10.2772 10.2772 12.6051 12.6051 13.0591 13.0591 13.0791 13.0791 13.2086 13.2086 13.7101 13.7101 16.6777 16.6777 k = 0.0000 0.4062 0.3410 ( 1874 PWs) bands (ev): -36.1489 -36.1489 -36.1439 -36.1439 -15.4915 -15.4915 -15.4176 -15.4176 -13.8814 -13.8814 -13.7555 -13.7555 -13.4923 -13.4923 -13.4020 -13.4020 5.4120 5.4120 8.2414 8.2414 10.2363 10.2363 12.6342 12.6342 13.0826 13.0826 13.0972 13.0972 13.1904 13.1904 13.6887 13.6887 16.7179 16.7179 k = 0.0000 0.4167 0.3410 ( 1876 PWs) bands (ev): -36.1483 -36.1483 -36.1432 -36.1432 -15.4950 -15.4950 -15.4198 -15.4198 -13.8847 -13.8847 -13.7588 -13.7588 -13.4916 -13.4916 -13.4011 -13.4011 5.3995 5.3995 8.3034 8.3034 10.1969 10.1969 12.6602 12.6602 13.0978 13.0978 13.1184 13.1184 13.1764 13.1764 13.6694 13.6694 16.7349 16.7349 k = 0.0000 0.4271 0.3410 ( 1874 PWs) bands (ev): -36.1478 -36.1478 -36.1426 -36.1426 -15.4981 -15.4981 -15.4217 -15.4217 -13.8876 -13.8876 -13.7617 -13.7617 -13.4910 -13.4910 -13.4004 -13.4004 5.3883 5.3883 8.3609 8.3609 10.1596 10.1596 12.6833 12.6833 13.1055 13.1055 13.1392 13.1392 13.1689 13.1689 13.6523 13.6523 16.7454 16.7454 k = 0.0000 0.4375 0.3410 ( 1870 PWs) bands (ev): -36.1474 -36.1474 -36.1421 -36.1421 -15.5008 -15.5008 -15.4234 -15.4234 -13.8901 -13.8901 -13.7642 -13.7642 -13.4905 -13.4905 -13.3997 -13.3997 5.3784 5.3784 8.4131 8.4131 10.1252 10.1252 12.7033 12.7033 13.1062 13.1062 13.1545 13.1545 13.1720 13.1720 13.6374 13.6374 16.7533 16.7533 k = 0.0000 0.4479 0.3410 ( 1870 PWs) bands (ev): -36.1470 -36.1470 -36.1416 -36.1416 -15.5031 -15.5031 -15.4248 -15.4248 -13.8922 -13.8922 -13.7664 -13.7664 -13.4900 -13.4900 -13.3991 -13.3991 5.3700 5.3700 8.4592 8.4592 10.0941 10.0941 12.7203 12.7203 13.1019 13.1019 13.1626 13.1626 13.1850 13.1850 13.6248 13.6248 16.7597 16.7597 k = 0.0000 0.4583 0.3410 ( 1870 PWs) bands (ev): -36.1467 -36.1467 -36.1413 -36.1413 -15.5050 -15.5050 -15.4260 -15.4260 -13.8939 -13.8939 -13.7681 -13.7681 -13.4897 -13.4897 -13.3987 -13.3987 5.3631 5.3631 8.4985 8.4985 10.0673 10.0673 12.7343 12.7343 13.0960 13.0960 13.1691 13.1691 13.1987 13.1987 13.6144 13.6144 16.7648 16.7648 k = 0.0000 0.4688 0.3410 ( 1870 PWs) bands (ev): -36.1464 -36.1464 -36.1410 -36.1410 -15.5066 -15.5066 -15.4270 -15.4270 -13.8953 -13.8953 -13.7695 -13.7695 -13.4894 -13.4894 -13.3983 -13.3983 5.3577 5.3577 8.5302 8.5302 10.0454 10.0454 12.7452 12.7452 13.0904 13.0904 13.1746 13.1746 13.2101 13.2101 13.6063 13.6063 16.7687 16.7687 k = 0.0000 0.4792 0.3410 ( 1878 PWs) bands (ev): -36.1463 -36.1463 -36.1409 -36.1409 -15.5076 -15.5076 -15.4276 -15.4276 -13.8963 -13.8963 -13.7705 -13.7705 -13.4892 -13.4892 -13.3980 -13.3980 5.3538 5.3538 8.5534 8.5534 10.0291 10.0291 12.7529 12.7529 13.0860 13.0860 13.1789 13.1789 13.2184 13.2184 13.6005 13.6005 16.7714 16.7714 k = 0.0000 0.4896 0.3410 ( 1880 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.5083 -15.5083 -15.4281 -15.4281 -13.8969 -13.8969 -13.7711 -13.7711 -13.4890 -13.4890 -13.3979 -13.3979 5.3514 5.3514 8.5676 8.5676 10.0191 10.0191 12.7576 12.7576 13.0833 13.0833 13.1815 13.1815 13.2235 13.2235 13.5970 13.5970 16.7730 16.7730 k = 0.0000 0.5000 0.3410 ( 1868 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5085 -15.5085 -15.4282 -15.4282 -13.8971 -13.8971 -13.7713 -13.7713 -13.4890 -13.4890 -13.3978 -13.3978 5.3507 5.3507 8.5724 8.5724 10.0157 10.0157 12.7592 12.7592 13.0824 13.0824 13.1824 13.1824 13.2252 13.2252 13.5958 13.5958 16.7736 16.7736 k = 0.0000 0.5000 0.3410 ( 1868 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5085 -15.5085 -15.4282 -15.4282 -13.8971 -13.8971 -13.7713 -13.7713 -13.4890 -13.4890 -13.3978 -13.3978 5.3507 5.3507 8.5724 8.5724 10.0157 10.0157 12.7592 12.7592 13.0824 13.0824 13.1824 13.1824 13.2252 13.2252 13.5958 13.5958 16.7736 16.7736 k = 0.0104 0.5000 0.3410 ( 1880 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.5085 -15.5085 -15.4282 -15.4282 -13.8971 -13.8971 -13.7713 -13.7713 -13.4893 -13.4893 -13.3981 -13.3981 5.3524 5.3524 8.5707 8.5707 10.0177 10.0177 12.7612 12.7612 13.0787 13.0787 13.1836 13.1836 13.2180 13.2180 13.5983 13.5983 16.7745 16.7745 k = 0.0208 0.5000 0.3410 ( 1876 PWs) bands (ev): -36.1460 -36.1460 -36.1405 -36.1405 -15.5085 -15.5085 -15.4284 -15.4284 -13.8972 -13.8972 -13.7714 -13.7714 -13.4903 -13.4903 -13.3989 -13.3989 5.3578 5.3578 8.5655 8.5655 10.0237 10.0237 12.7673 12.7673 13.0673 13.0673 13.1848 13.1848 13.1998 13.1998 13.6048 13.6048 16.7772 16.7772 k = 0.0312 0.5000 0.3410 ( 1880 PWs) bands (ev): -36.1458 -36.1458 -36.1404 -36.1404 -15.5085 -15.5085 -15.4287 -15.4287 -13.8975 -13.8975 -13.7715 -13.7715 -13.4918 -13.4918 -13.4003 -13.4003 5.3667 5.3667 8.5568 8.5568 10.0337 10.0337 12.7772 12.7772 13.0482 13.0482 13.1594 13.1594 13.1999 13.1999 13.6133 13.6133 16.7820 16.7820 k = 0.0417 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1455 -36.1455 -36.1401 -36.1401 -15.5085 -15.5085 -15.4292 -15.4292 -13.8978 -13.8978 -13.7716 -13.7716 -13.4940 -13.4940 -13.4021 -13.4021 5.3792 5.3792 8.5449 8.5449 10.0477 10.0477 12.7910 12.7910 13.0215 13.0215 13.1167 13.1167 13.2117 13.2117 13.6216 13.6216 16.7891 16.7891 k = 0.0521 0.5000 0.3410 ( 1876 PWs) bands (ev): -36.1452 -36.1452 -36.1399 -36.1399 -15.5086 -15.5086 -15.4297 -15.4297 -13.8983 -13.8983 -13.7718 -13.7718 -13.4968 -13.4968 -13.4046 -13.4046 5.3951 5.3951 8.5296 8.5296 10.0656 10.0656 12.8081 12.8081 12.9882 12.9882 13.0659 13.0659 13.2281 13.2281 13.6279 13.6279 16.7988 16.7988 k = 0.0625 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1447 -36.1447 -36.1395 -36.1395 -15.5086 -15.5086 -15.4304 -15.4304 -13.8988 -13.8988 -13.7720 -13.7720 -13.5001 -13.5001 -13.4075 -13.4075 5.4144 5.4144 8.5112 8.5112 10.0874 10.0874 12.8273 12.8273 12.9499 12.9499 13.0091 13.0091 13.2487 13.2487 13.6309 13.6309 16.8113 16.8113 k = 0.0729 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1443 -36.1443 -36.1390 -36.1390 -15.5086 -15.5086 -15.4312 -15.4312 -13.8994 -13.8994 -13.7723 -13.7723 -13.5040 -13.5040 -13.4109 -13.4109 5.4371 5.4371 8.4897 8.4897 10.1129 10.1129 12.8413 12.8413 12.9142 12.9142 12.9483 12.9483 13.2732 13.2732 13.6299 13.6299 16.8268 16.8268 k = 0.0833 0.5000 0.3410 ( 1868 PWs) bands (ev): -36.1437 -36.1437 -36.1385 -36.1385 -15.5087 -15.5087 -15.4321 -15.4321 -13.9001 -13.9001 -13.7726 -13.7726 -13.5085 -13.5085 -13.4148 -13.4148 5.4631 5.4631 8.4653 8.4653 10.1422 10.1422 12.8225 12.8225 12.8803 12.8803 12.9134 12.9134 13.3016 13.3016 13.6245 13.6245 16.8452 16.8452 k = 0.0938 0.5000 0.3410 ( 1868 PWs) bands (ev): -36.1430 -36.1430 -36.1380 -36.1380 -15.5088 -15.5088 -15.4332 -15.4332 -13.9009 -13.9009 -13.7730 -13.7730 -13.5134 -13.5134 -13.4191 -13.4191 5.4923 5.4923 8.4381 8.4381 10.1750 10.1750 12.7730 12.7730 12.8133 12.8133 12.9386 12.9386 13.3337 13.3337 13.6145 13.6145 16.8660 16.8660 k = 0.1042 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1424 -36.1424 -36.1374 -36.1374 -15.5088 -15.5088 -15.4343 -15.4343 -13.9017 -13.9017 -13.7734 -13.7734 -13.5187 -13.5187 -13.4238 -13.4238 5.5245 5.5245 8.4083 8.4083 10.2114 10.2114 12.7138 12.7138 12.7431 12.7431 12.9745 12.9745 13.3693 13.3693 13.6001 13.6001 16.8869 16.8869 k = 0.1146 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1415 -36.1415 -36.1367 -36.1367 -15.5090 -15.5090 -15.4357 -15.4357 -13.9026 -13.9026 -13.7739 -13.7739 -13.5245 -13.5245 -13.4290 -13.4290 5.5598 5.5598 8.3762 8.3762 10.2512 10.2512 12.6497 12.6497 12.6710 12.6710 13.0159 13.0159 13.4079 13.4079 13.5819 13.5819 16.8984 16.8984 k = 0.1250 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1407 -36.1407 -36.1360 -36.1360 -15.5091 -15.5091 -15.4371 -15.4371 -13.9036 -13.9036 -13.7745 -13.7745 -13.5307 -13.5307 -13.4345 -13.4345 5.5979 5.5979 8.3418 8.3418 10.2942 10.2942 12.5824 12.5824 12.5977 12.5977 13.0616 13.0616 13.4481 13.4481 13.5615 13.5615 16.8858 16.8858 k = 0.1354 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1398 -36.1398 -36.1353 -36.1353 -15.5092 -15.5092 -15.4387 -15.4387 -13.9047 -13.9047 -13.7751 -13.7751 -13.5372 -13.5372 -13.4404 -13.4404 5.6387 5.6387 8.3055 8.3055 10.3404 10.3404 12.5127 12.5127 12.5235 12.5235 13.1113 13.1113 13.4820 13.4820 13.5469 13.5469 16.8596 16.8596 k = 0.1458 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1390 -36.1390 -36.1345 -36.1345 -15.5094 -15.5094 -15.4404 -15.4404 -13.9058 -13.9058 -13.7759 -13.7759 -13.5440 -13.5440 -13.4466 -13.4466 5.6822 5.6822 8.2673 8.2673 10.3897 10.3897 12.4412 12.4412 12.4489 12.4489 13.1646 13.1646 13.4804 13.4804 13.5679 13.5679 16.8281 16.8281 k = 0.1562 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1380 -36.1380 -36.1337 -36.1337 -15.5097 -15.5097 -15.4422 -15.4422 -13.9069 -13.9069 -13.7767 -13.7767 -13.5510 -13.5510 -13.4531 -13.4531 5.7280 5.7280 8.2275 8.2275 10.4417 10.4417 12.3686 12.3686 12.3741 12.3741 13.2210 13.2210 13.4531 13.4531 13.6150 13.6150 16.7934 16.7934 k = 0.1667 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1370 -36.1370 -36.1328 -36.1328 -15.5099 -15.5099 -15.4442 -15.4442 -13.9080 -13.9080 -13.7776 -13.7776 -13.5582 -13.5582 -13.4598 -13.4598 5.7762 5.7762 8.1864 8.1864 10.4965 10.4965 12.2952 12.2952 12.2996 12.2996 13.2793 13.2793 13.4200 13.4200 13.6697 13.6697 16.7562 16.7562 k = 0.1771 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1359 -36.1359 -36.1319 -36.1319 -15.5102 -15.5102 -15.4463 -15.4463 -13.9092 -13.9092 -13.7786 -13.7786 -13.5656 -13.5656 -13.4667 -13.4667 5.8264 5.8264 8.1441 8.1441 10.5539 10.5539 12.2215 12.2215 12.2255 12.2255 13.3304 13.3304 13.3937 13.3937 13.7283 13.7283 16.7169 16.7169 k = 0.1875 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1348 -36.1348 -36.1310 -36.1310 -15.5106 -15.5106 -15.4485 -15.4485 -13.9104 -13.9104 -13.7798 -13.7798 -13.5730 -13.5730 -13.4739 -13.4739 5.8786 5.8786 8.1009 8.1009 10.6136 10.6136 12.1480 12.1480 12.1520 12.1520 13.3234 13.3234 13.4261 13.4261 13.7899 13.7899 16.6760 16.6760 k = 0.1979 0.5000 0.3410 ( 1872 PWs) bands (ev): -36.1337 -36.1337 -36.1300 -36.1300 -15.5110 -15.5110 -15.4508 -15.4508 -13.9115 -13.9115 -13.7811 -13.7811 -13.5804 -13.5804 -13.4811 -13.4811 5.9325 5.9325 8.0570 8.0570 10.6756 10.6756 12.0750 12.0750 12.0792 12.0792 13.2846 13.2846 13.4911 13.4911 13.8540 13.8540 16.6338 16.6338 k = 0.2083 0.5000 0.3410 ( 1876 PWs) bands (ev): -36.1326 -36.1326 -36.1291 -36.1291 -15.5114 -15.5114 -15.4533 -15.4533 -13.9127 -13.9127 -13.7825 -13.7825 -13.5878 -13.5878 -13.4886 -13.4886 5.9879 5.9879 8.0125 8.0125 10.7396 10.7396 12.0029 12.0029 12.0074 12.0074 13.2410 13.2410 13.5620 13.5620 13.9200 13.9200 16.5907 16.5907 k = 0.2188 0.5000 0.3410 ( 1876 PWs) bands (ev): -36.1314 -36.1314 -36.1281 -36.1281 -15.5119 -15.5119 -15.4558 -15.4558 -13.9138 -13.9138 -13.7841 -13.7841 -13.5952 -13.5952 -13.4960 -13.4960 6.0447 6.0447 7.9678 7.9678 10.8054 10.8054 11.9320 11.9320 11.9367 11.9367 13.1956 13.1956 13.6357 13.6357 13.9875 13.9875 16.5472 16.5472 k = 0.2292 0.5000 0.3410 ( 1880 PWs) bands (ev): -36.1302 -36.1302 -36.1271 -36.1271 -15.5124 -15.5124 -15.4585 -15.4585 -13.9149 -13.9149 -13.7859 -13.7859 -13.6024 -13.6024 -13.5036 -13.5036 6.1026 6.1026 7.9229 7.9229 10.8730 10.8730 11.8623 11.8623 11.8673 11.8673 13.1492 13.1492 13.7114 13.7114 14.0558 14.0558 16.5041 16.5041 k = 0.2396 0.5000 0.3410 ( 1876 PWs) bands (ev): -36.1290 -36.1290 -36.1260 -36.1260 -15.5129 -15.5129 -15.4613 -15.4613 -13.9159 -13.9159 -13.7878 -13.7878 -13.6094 -13.6094 -13.5112 -13.5112 6.1615 6.1615 7.8781 7.8781 10.9421 10.9421 11.7942 11.7942 11.7995 11.7995 13.1024 13.1024 13.7883 13.7883 14.1243 14.1243 16.4619 16.4619 k = 0.2500 0.5000 0.3410 ( 1876 PWs) bands (ev): -36.1278 -36.1278 -36.1250 -36.1250 -15.5135 -15.5135 -15.4641 -15.4641 -13.9168 -13.9168 -13.7900 -13.7900 -13.6161 -13.6161 -13.5188 -13.5188 6.2209 6.2209 7.8335 7.8335 11.0125 11.0125 11.7278 11.7278 11.7333 11.7333 13.0554 13.0554 13.8658 13.8658 14.1923 14.1923 16.4215 16.4215 k = 0.2604 0.5000 0.3410 ( 1880 PWs) bands (ev): -36.1266 -36.1266 -36.1240 -36.1240 -15.5142 -15.5142 -15.4670 -15.4670 -13.9177 -13.9177 -13.7924 -13.7924 -13.6226 -13.6226 -13.5264 -13.5264 6.2809 6.2809 7.7895 7.7895 11.0840 11.0840 11.6632 11.6632 11.6689 11.6689 13.0087 13.0087 13.9432 13.9432 14.2588 14.2588 16.3839 16.3839 k = 0.2708 0.5000 0.3410 ( 1884 PWs) bands (ev): -36.1254 -36.1254 -36.1230 -36.1230 -15.5148 -15.5148 -15.4700 -15.4700 -13.9185 -13.9185 -13.7950 -13.7950 -13.6287 -13.6287 -13.5339 -13.5339 6.3410 6.3410 7.7460 7.7460 11.1564 11.1564 11.6005 11.6005 11.6065 11.6065 12.9624 12.9624 14.0194 14.0194 14.3230 14.3230 16.3502 16.3502 k = 0.2812 0.5000 0.3410 ( 1880 PWs) bands (ev): -36.1242 -36.1242 -36.1220 -36.1220 -15.5155 -15.5155 -15.4730 -15.4730 -13.9191 -13.9191 -13.7979 -13.7979 -13.6345 -13.6345 -13.5413 -13.5413 6.4012 6.4012 7.7033 7.7033 11.2296 11.2296 11.5400 11.5400 11.5463 11.5463 12.9168 12.9168 14.0937 14.0937 14.3837 14.3837 16.3215 16.3215 k = 0.2917 0.5000 0.3410 ( 1884 PWs) bands (ev): -36.1231 -36.1231 -36.1210 -36.1210 -15.5162 -15.5162 -15.4761 -15.4761 -13.9196 -13.9196 -13.8010 -13.8010 -13.6398 -13.6398 -13.5487 -13.5487 6.4610 6.4610 7.6616 7.6616 11.3030 11.3030 11.4817 11.4817 11.4884 11.4884 12.8722 12.8722 14.1646 14.1646 14.4399 14.4399 16.2992 16.2992 k = 0.3021 0.5000 0.3410 ( 1892 PWs) bands (ev): -36.1220 -36.1220 -36.1201 -36.1201 -15.5170 -15.5170 -15.4792 -15.4792 -13.9199 -13.9199 -13.8044 -13.8044 -13.6447 -13.6447 -13.5559 -13.5559 6.5202 6.5202 7.6210 7.6210 11.3754 11.3754 11.4258 11.4258 11.4342 11.4342 12.8287 12.8287 14.2311 14.2311 14.4905 14.4905 16.2848 16.2848 k = 0.3125 0.5000 0.3410 ( 1892 PWs) bands (ev): -36.1208 -36.1208 -36.1191 -36.1191 -15.5177 -15.5177 -15.4823 -15.4823 -13.9201 -13.9201 -13.8080 -13.8080 -13.6492 -13.6492 -13.5630 -13.5630 6.5787 6.5787 7.5816 7.5816 11.3721 11.3721 11.3762 11.3762 11.4541 11.4541 12.7865 12.7865 14.2920 14.2920 14.5344 14.5344 16.2797 16.2797 k = 0.3229 0.5000 0.3410 ( 1888 PWs) bands (ev): -36.1197 -36.1197 -36.1182 -36.1182 -15.5185 -15.5185 -15.4854 -15.4854 -13.9202 -13.9202 -13.8118 -13.8118 -13.6531 -13.6531 -13.5700 -13.5700 6.6362 6.6362 7.5437 7.5437 11.3211 11.3211 11.3262 11.3262 11.5270 11.5270 12.7458 12.7458 14.3459 14.3459 14.5708 14.5708 16.2852 16.2852 k = 0.3333 0.5000 0.3410 ( 1884 PWs) bands (ev): -36.1186 -36.1186 -36.1172 -36.1172 -15.5192 -15.5192 -15.4885 -15.4885 -13.9200 -13.9200 -13.8159 -13.8159 -13.6566 -13.6566 -13.5768 -13.5768 6.6922 6.6922 7.5072 7.5072 11.2727 11.2727 11.2778 11.2778 11.6004 11.6004 12.7068 12.7068 14.3919 14.3919 14.5990 14.5990 16.3026 16.3026 k = 0.3438 0.5000 0.3410 ( 1884 PWs) bands (ev): -36.1176 -36.1176 -36.1163 -36.1163 -15.5200 -15.5200 -15.4915 -15.4915 -13.9197 -13.9197 -13.8201 -13.8201 -13.6596 -13.6596 -13.5834 -13.5834 6.7467 6.7467 7.4724 7.4724 11.2268 11.2268 11.2319 11.2319 11.6733 11.6733 12.6695 12.6695 14.4293 14.4293 14.6187 14.6187 16.3327 16.3327 k = 0.3542 0.5000 0.3410 ( 1880 PWs) bands (ev): -36.1166 -36.1166 -36.1155 -36.1155 -15.5207 -15.5207 -15.4945 -15.4945 -13.9191 -13.9191 -13.8245 -13.8245 -13.6621 -13.6621 -13.5899 -13.5899 6.7993 6.7993 7.4393 7.4393 11.1837 11.1837 11.1886 11.1886 11.7453 11.7453 12.6341 12.6341 14.4579 14.4579 14.6301 14.6301 16.3756 16.3756 k = 0.3646 0.5000 0.3410 ( 1876 PWs) bands (ev): -36.1156 -36.1156 -36.1146 -36.1146 -15.5213 -15.5213 -15.4973 -15.4973 -13.9184 -13.9184 -13.8291 -13.8291 -13.6642 -13.6642 -13.5961 -13.5961 6.8498 6.8498 7.4080 7.4080 11.1434 11.1434 11.1480 11.1480 11.8160 11.8160 12.6007 12.6007 14.4780 14.4780 14.6333 14.6333 16.4313 16.4313 k = 0.3750 0.5000 0.3410 ( 1880 PWs) bands (ev): -36.1147 -36.1147 -36.1139 -36.1139 -15.5220 -15.5220 -15.5001 -15.5001 -13.9174 -13.9174 -13.8337 -13.8337 -13.6658 -13.6658 -13.6021 -13.6021 6.8978 6.8978 7.3787 7.3787 11.1058 11.1058 11.1102 11.1102 11.8850 11.8850 12.5694 12.5694 14.4902 14.4902 14.6292 14.6292 16.4989 16.4989 k = 0.3854 0.5000 0.3410 ( 1868 PWs) bands (ev): -36.1138 -36.1138 -36.1131 -36.1131 -15.5226 -15.5226 -15.5028 -15.5028 -13.9162 -13.9162 -13.8385 -13.8385 -13.6669 -13.6669 -13.6079 -13.6079 6.9432 6.9432 7.3514 7.3514 11.0712 11.0712 11.0752 11.0752 11.9519 11.9519 12.5403 12.5403 14.4955 14.4955 14.6187 14.6187 16.5774 16.5774 k = 0.3958 0.5000 0.3410 ( 1868 PWs) bands (ev): -36.1131 -36.1131 -36.1125 -36.1125 -15.5231 -15.5231 -15.5054 -15.5054 -13.9147 -13.9147 -13.8433 -13.8433 -13.6677 -13.6677 -13.6134 -13.6134 6.9856 6.9856 7.3263 7.3263 11.0394 11.0394 11.0431 11.0431 12.0162 12.0162 12.5135 12.5135 14.4953 14.4953 14.6029 14.6029 16.6651 16.6651 k = 0.4062 0.5000 0.3410 ( 1860 PWs) bands (ev): -36.1123 -36.1123 -36.1118 -36.1118 -15.5235 -15.5235 -15.5078 -15.5078 -13.9131 -13.9131 -13.8481 -13.8481 -13.6680 -13.6680 -13.6188 -13.6188 7.0249 7.0249 7.3033 7.3033 11.0106 11.0106 11.0139 11.0139 12.0774 12.0774 12.4890 12.4890 14.4908 14.4908 14.5831 14.5831 16.7604 16.7604 k = 0.4167 0.5000 0.3410 ( 1860 PWs) bands (ev): -36.1117 -36.1117 -36.1113 -36.1113 -15.5239 -15.5239 -15.5101 -15.5101 -13.9112 -13.9112 -13.8528 -13.8528 -13.6679 -13.6679 -13.6239 -13.6239 7.0607 7.0607 7.2825 7.2825 10.9847 10.9847 10.9876 10.9876 12.1349 12.1349 12.4669 12.4669 14.4833 14.4833 14.5606 14.5606 16.8616 16.8616 k = 0.4271 0.5000 0.3410 ( 1860 PWs) bands (ev): -36.1111 -36.1111 -36.1108 -36.1108 -15.5242 -15.5242 -15.5123 -15.5123 -13.9090 -13.9090 -13.8576 -13.8576 -13.6675 -13.6675 -13.6287 -13.6287 7.0929 7.0929 7.2640 7.2640 10.9619 10.9619 10.9644 10.9644 12.1881 12.1881 12.4473 12.4473 14.4740 14.4740 14.5367 14.5367 16.9664 16.9664 k = 0.4375 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1106 -36.1106 -36.1104 -36.1104 -15.5243 -15.5243 -15.5142 -15.5142 -13.9067 -13.9067 -13.8623 -13.8623 -13.6667 -13.6667 -13.6333 -13.6333 7.1213 7.1213 7.2480 7.2480 10.9420 10.9420 10.9442 10.9442 12.2362 12.2362 12.4302 12.4302 14.4639 14.4639 14.5126 14.5126 17.0726 17.0726 k = 0.4479 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1102 -36.1102 -36.1100 -36.1100 -15.5243 -15.5243 -15.5160 -15.5160 -13.9041 -13.9041 -13.8669 -13.8669 -13.6656 -13.6656 -13.6376 -13.6376 7.1456 7.1456 7.2343 7.2343 10.9252 10.9252 10.9270 10.9270 12.2787 12.2787 12.4157 12.4157 14.4539 14.4539 14.4897 14.4897 17.1775 17.1775 k = 0.4583 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1098 -36.1098 -36.1097 -36.1097 -15.5242 -15.5242 -15.5177 -15.5177 -13.9012 -13.9012 -13.8713 -13.8713 -13.6642 -13.6642 -13.6417 -13.6417 7.1658 7.1658 7.2230 7.2230 10.9115 10.9115 10.9129 10.9129 12.3147 12.3147 12.4037 12.4037 14.4447 14.4447 14.4690 14.4690 17.2775 17.2775 k = 0.4688 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1096 -36.1096 -36.1095 -36.1095 -15.5240 -15.5240 -15.5191 -15.5191 -13.8982 -13.8982 -13.8757 -13.8757 -13.6624 -13.6624 -13.6455 -13.6455 7.1816 7.1816 7.2142 7.2142 10.9008 10.9008 10.9018 10.9018 12.3435 12.3435 12.3944 12.3944 14.4370 14.4370 14.4517 14.4517 17.3679 17.3679 k = 0.4792 0.5000 0.3410 ( 1864 PWs) bands (ev): -36.1094 -36.1094 -36.1093 -36.1093 -15.5236 -15.5236 -15.5203 -15.5203 -13.8949 -13.8949 -13.8799 -13.8799 -13.6603 -13.6603 -13.6490 -13.6490 7.1929 7.1929 7.2079 7.2079 10.8932 10.8932 10.8939 10.8939 12.3647 12.3647 12.3878 12.3878 14.4313 14.4313 14.4387 14.4387 17.4421 17.4421 k = 0.4896 0.5000 0.3410 ( 1856 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5230 -15.5230 -15.5214 -15.5214 -13.8915 -13.8915 -13.8839 -13.8839 -13.6579 -13.6579 -13.6523 -13.6523 7.1999 7.1999 7.2041 7.2041 10.8887 10.8887 10.8891 10.8891 12.3775 12.3775 12.3838 12.3838 14.4278 14.4278 14.4304 14.4304 17.4921 17.4921 k = 0.5000 0.5000 0.3410 ( 1848 PWs) bands (ev): -36.1091 -36.1091 -36.1091 -36.1091 -15.5223 -15.5223 -15.5223 -15.5223 -13.8878 -13.8878 -13.8878 -13.8878 -13.6552 -13.6552 -13.6552 -13.6552 7.2025 7.2025 7.2025 7.2025 10.8874 10.8874 10.8874 10.8874 12.3821 12.3821 12.3821 12.3821 14.4271 14.4271 14.4271 14.4271 17.5110 17.5110 k = 0.5000 0.5000 0.3410 ( 1848 PWs) bands (ev): -36.1091 -36.1091 -36.1091 -36.1091 -15.5223 -15.5223 -15.5223 -15.5223 -13.8878 -13.8878 -13.8878 -13.8878 -13.6552 -13.6552 -13.6552 -13.6552 7.2025 7.2025 7.2025 7.2025 10.8874 10.8874 10.8874 10.8874 12.3821 12.3821 12.3821 12.3821 14.4271 14.4271 14.4271 14.4271 17.5110 17.5110 k = 0.4926 0.4926 0.3410 ( 1852 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5230 -15.5230 -15.5214 -15.5214 -13.8914 -13.8914 -13.8839 -13.8839 -13.6579 -13.6579 -13.6523 -13.6523 7.2008 7.2008 7.2032 7.2032 10.8887 10.8887 10.8891 10.8891 12.3794 12.3794 12.3819 12.3819 14.4280 14.4280 14.4302 14.4302 17.4959 17.4959 k = 0.4853 0.4853 0.3410 ( 1860 PWs) bands (ev): -36.1093 -36.1093 -36.1093 -36.1093 -15.5236 -15.5236 -15.5204 -15.5204 -13.8949 -13.8949 -13.8799 -13.8799 -13.6603 -13.6603 -13.6490 -13.6490 7.1981 7.1981 7.2028 7.2028 10.8932 10.8932 10.8939 10.8939 12.3737 12.3737 12.3787 12.3787 14.4328 14.4328 14.4372 14.4372 17.4599 17.4599 k = 0.4779 0.4779 0.3410 ( 1864 PWs) bands (ev): -36.1095 -36.1095 -36.1095 -36.1095 -15.5239 -15.5239 -15.5191 -15.5191 -13.8982 -13.8982 -13.8757 -13.8757 -13.6624 -13.6624 -13.6455 -13.6455 7.1943 7.1943 7.2014 7.2014 10.9007 10.9007 10.9018 10.9018 12.3652 12.3652 12.3727 12.3727 14.4414 14.4414 14.4478 14.4478 17.4064 17.4064 k = 0.4706 0.4706 0.3410 ( 1872 PWs) bands (ev): -36.1098 -36.1098 -36.1098 -36.1098 -15.5241 -15.5241 -15.5177 -15.5177 -13.9012 -13.9012 -13.8714 -13.8714 -13.6641 -13.6641 -13.6418 -13.6418 7.1895 7.1895 7.1990 7.1990 10.9113 10.9113 10.9127 10.9127 12.3541 12.3541 12.3639 12.3639 14.4534 14.4534 14.4618 14.4618 17.3395 17.3395 k = 0.4632 0.4632 0.3410 ( 1872 PWs) bands (ev): -36.1102 -36.1102 -36.1102 -36.1102 -15.5242 -15.5242 -15.5162 -15.5162 -13.9039 -13.9039 -13.8669 -13.8669 -13.6655 -13.6655 -13.6378 -13.6378 7.1837 7.1837 7.1956 7.1956 10.9249 10.9249 10.9267 10.9267 12.3405 12.3405 12.3526 12.3526 14.4684 14.4684 14.4787 14.4787 17.2628 17.2628 k = 0.4559 0.4559 0.3410 ( 1872 PWs) bands (ev): -36.1106 -36.1106 -36.1106 -36.1106 -15.5240 -15.5240 -15.5144 -15.5144 -13.9064 -13.9064 -13.8624 -13.8624 -13.6666 -13.6666 -13.6336 -13.6336 7.1770 7.1770 7.1911 7.1911 10.9415 10.9415 10.9437 10.9437 12.3249 12.3249 12.3391 12.3391 14.4859 14.4859 14.4980 14.4980 17.1790 17.1790 k = 0.4485 0.4485 0.3410 ( 1874 PWs) bands (ev): -36.1110 -36.1110 -36.1110 -36.1110 -15.5236 -15.5236 -15.5126 -15.5126 -13.9087 -13.9087 -13.8577 -13.8577 -13.6673 -13.6673 -13.6293 -13.6293 7.1692 7.1692 7.1856 7.1856 10.9611 10.9611 10.9636 10.9636 12.3075 12.3075 12.3237 12.3237 14.5053 14.5053 14.5191 14.5191 17.0903 17.0903 k = 0.4412 0.4412 0.3410 ( 1870 PWs) bands (ev): -36.1116 -36.1116 -36.1116 -36.1116 -15.5231 -15.5231 -15.5105 -15.5105 -13.9106 -13.9106 -13.8530 -13.8530 -13.6677 -13.6677 -13.6247 -13.6247 7.1605 7.1605 7.1791 7.1791 10.9835 10.9835 10.9864 10.9864 12.2886 12.2886 12.3066 12.3066 14.5260 14.5260 14.5413 14.5413 16.9985 16.9985 k = 0.4338 0.4338 0.3410 ( 1870 PWs) bands (ev): -36.1122 -36.1122 -36.1122 -36.1122 -15.5224 -15.5224 -15.5083 -15.5083 -13.9123 -13.9123 -13.8482 -13.8482 -13.6677 -13.6677 -13.6199 -13.6199 7.1507 7.1507 7.1716 7.1716 11.0087 11.0087 11.0120 11.0120 12.2686 12.2686 12.2882 12.2882 14.5472 14.5472 14.5639 14.5639 16.9048 16.9048 k = 0.4265 0.4265 0.3410 ( 1862 PWs) bands (ev): -36.1128 -36.1128 -36.1128 -36.1128 -15.5215 -15.5215 -15.5060 -15.5060 -13.9137 -13.9137 -13.8433 -13.8433 -13.6673 -13.6673 -13.6151 -13.6151 7.1401 7.1401 7.1631 7.1631 11.0366 11.0366 11.0403 11.0403 12.2476 12.2476 12.2688 12.2688 14.5682 14.5682 14.5862 14.5862 16.8102 16.8102 k = 0.4191 0.4191 0.3410 ( 1866 PWs) bands (ev): -36.1136 -36.1136 -36.1136 -36.1136 -15.5204 -15.5204 -15.5035 -15.5035 -13.9147 -13.9147 -13.8384 -13.8384 -13.6666 -13.6666 -13.6100 -13.6100 7.1284 7.1284 7.1536 7.1536 11.0671 11.0671 11.0713 11.0713 12.2261 12.2261 12.2486 12.2486 14.5882 14.5882 14.6074 14.6074 16.7152 16.7152 k = 0.4118 0.4118 0.3410 ( 1866 PWs) bands (ev): -36.1144 -36.1144 -36.1144 -36.1144 -15.5191 -15.5191 -15.5009 -15.5009 -13.9155 -13.9155 -13.8334 -13.8334 -13.6656 -13.6656 -13.6049 -13.6049 7.1158 7.1158 7.1431 7.1431 11.1001 11.1001 11.1048 11.1048 12.2044 12.2044 12.2280 12.2280 14.6065 14.6065 14.6267 14.6267 16.6206 16.6206 k = 0.4044 0.4044 0.3410 ( 1870 PWs) bands (ev): -36.1153 -36.1153 -36.1153 -36.1153 -15.5177 -15.5177 -15.4981 -15.4981 -13.9159 -13.9159 -13.8284 -13.8284 -13.6642 -13.6642 -13.5996 -13.5996 7.1023 7.1023 7.1316 7.1316 11.1354 11.1354 11.1407 11.1407 12.1826 12.1826 12.2072 12.2072 14.6224 14.6224 14.6434 14.6434 16.5268 16.5268 k = 0.3971 0.3971 0.3410 ( 1870 PWs) bands (ev): -36.1162 -36.1162 -36.1162 -36.1162 -15.5161 -15.5161 -15.4952 -15.4952 -13.9160 -13.9160 -13.8234 -13.8234 -13.6624 -13.6624 -13.5943 -13.5943 7.0879 7.0879 7.1191 7.1191 11.1730 11.1730 11.1788 11.1788 12.1610 12.1610 12.1864 12.1864 14.6352 14.6352 14.6570 14.6570 16.4342 16.4342 k = 0.3897 0.3897 0.3410 ( 1872 PWs) bands (ev): -36.1172 -36.1172 -36.1172 -36.1172 -15.5143 -15.5143 -15.4922 -15.4922 -13.9157 -13.9157 -13.8184 -13.8184 -13.6604 -13.6604 -13.5888 -13.5888 7.0726 7.0726 7.1057 7.1057 11.2125 11.2125 11.2190 11.2190 12.1400 12.1400 12.1660 12.1660 14.6444 14.6444 14.6667 14.6667 16.3431 16.3431 k = 0.3824 0.3824 0.3410 ( 1872 PWs) bands (ev): -36.1182 -36.1182 -36.1182 -36.1182 -15.5123 -15.5123 -15.4891 -15.4891 -13.9151 -13.9151 -13.8133 -13.8133 -13.6580 -13.6580 -13.5834 -13.5834 7.0564 7.0564 7.0913 7.0913 11.2537 11.2537 11.2610 11.2610 12.1196 12.1196 12.1460 12.1460 14.6494 14.6494 14.6722 14.6722 16.2537 16.2537 k = 0.3750 0.3750 0.3410 ( 1868 PWs) bands (ev): -36.1193 -36.1193 -36.1193 -36.1193 -15.5101 -15.5101 -15.4858 -15.4858 -13.9142 -13.9142 -13.8082 -13.8082 -13.6553 -13.6553 -13.5778 -13.5778 7.0394 7.0394 7.0761 7.0761 11.2965 11.2965 11.3047 11.3047 12.1002 12.1002 12.1268 12.1268 14.6499 14.6499 14.6731 14.6731 16.1661 16.1661 k = 0.3676 0.3676 0.3410 ( 1868 PWs) bands (ev): -36.1204 -36.1204 -36.1204 -36.1204 -15.5078 -15.5078 -15.4824 -15.4824 -13.9130 -13.9130 -13.8031 -13.8031 -13.6524 -13.6524 -13.5723 -13.5723 7.0216 7.0216 7.0599 7.0599 11.3403 11.3403 11.3496 11.3496 12.0821 12.0821 12.1085 12.1085 14.6458 14.6458 14.6692 14.6692 16.0804 16.0804 k = 0.3603 0.3603 0.3410 ( 1880 PWs) bands (ev): -36.1217 -36.1217 -36.1217 -36.1217 -15.5053 -15.5053 -15.4789 -15.4789 -13.9114 -13.9114 -13.7979 -13.7979 -13.6492 -13.6492 -13.5667 -13.5667 7.0029 7.0029 7.0427 7.0427 11.3849 11.3849 11.3954 11.3954 12.0655 12.0655 12.0914 12.0914 14.6369 14.6369 14.6604 14.6604 15.9967 15.9967 k = 0.3529 0.3529 0.3410 ( 1872 PWs) bands (ev): -36.1229 -36.1229 -36.1229 -36.1229 -15.5026 -15.5026 -15.4753 -15.4753 -13.9095 -13.9095 -13.7927 -13.7927 -13.6457 -13.6457 -13.5611 -13.5611 6.9834 6.9834 7.0248 7.0248 11.4296 11.4296 11.4417 11.4417 12.0508 12.0508 12.0759 12.0759 14.6237 14.6237 14.6471 14.6471 15.9152 15.9152 k = 0.3456 0.3456 0.3410 ( 1872 PWs) bands (ev): -36.1242 -36.1242 -36.1242 -36.1242 -15.4998 -15.4998 -15.4716 -15.4716 -13.9072 -13.9072 -13.7875 -13.7875 -13.6421 -13.6421 -13.5555 -13.5555 6.9632 6.9632 7.0060 7.0060 11.4738 11.4738 11.4878 11.4878 12.0385 12.0385 12.0622 12.0622 14.6062 14.6062 14.6294 14.6294 15.8357 15.8357 k = 0.3382 0.3382 0.3410 ( 1872 PWs) bands (ev): -36.1255 -36.1255 -36.1255 -36.1255 -15.4968 -15.4968 -15.4678 -15.4678 -13.9046 -13.9046 -13.7823 -13.7823 -13.6382 -13.6382 -13.5499 -13.5499 6.9423 6.9423 6.9864 6.9864 11.5166 11.5166 11.5330 11.5330 12.0293 12.0293 12.0511 12.0511 14.5851 14.5851 14.6080 14.6080 15.7584 15.7584 k = 0.3309 0.3309 0.3410 ( 1880 PWs) bands (ev): -36.1270 -36.1270 -36.1270 -36.1270 -15.4936 -15.4936 -15.4639 -15.4639 -13.9018 -13.9018 -13.7770 -13.7770 -13.6342 -13.6342 -13.5444 -13.5444 6.9206 6.9206 6.9659 6.9659 11.5568 11.5568 11.5762 11.5762 12.0241 12.0241 12.0431 12.0431 14.5608 14.5608 14.5833 14.5833 15.6809 15.6809 k = 0.3235 0.3235 0.3410 ( 1880 PWs) bands (ev): -36.1284 -36.1284 -36.1284 -36.1284 -15.4903 -15.4903 -15.4599 -15.4599 -13.8985 -13.8985 -13.7717 -13.7717 -13.6300 -13.6300 -13.5389 -13.5389 6.8983 6.8983 6.9447 6.9447 11.5930 11.5930 11.6161 11.6161 12.0239 12.0239 12.0394 12.0394 14.5343 14.5343 14.5561 14.5561 15.6058 15.6058 k = 0.3162 0.3162 0.3410 ( 1884 PWs) bands (ev): -36.1298 -36.1298 -36.1298 -36.1298 -15.4869 -15.4869 -15.4559 -15.4559 -13.8950 -13.8950 -13.7663 -13.7663 -13.6257 -13.6257 -13.5335 -13.5335 6.8753 6.8753 6.9227 6.9227 11.6238 11.6238 11.6511 11.6511 12.0298 12.0298 12.0412 12.0412 14.5062 14.5062 14.5273 14.5273 15.5330 15.5330 k = 0.3088 0.3088 0.3410 ( 1876 PWs) bands (ev): -36.1313 -36.1313 -36.1313 -36.1313 -15.4833 -15.4833 -15.4518 -15.4518 -13.8912 -13.8912 -13.7609 -13.7609 -13.6213 -13.6213 -13.5281 -13.5281 6.8517 6.8517 6.9000 6.9000 11.6478 11.6478 11.6795 11.6795 12.0429 12.0429 12.0497 12.0497 14.4774 14.4774 14.4975 14.4975 15.4627 15.4627 k = 0.3015 0.3015 0.3410 ( 1876 PWs) bands (ev): -36.1328 -36.1328 -36.1328 -36.1328 -15.4795 -15.4795 -15.4476 -15.4476 -13.8871 -13.8871 -13.7554 -13.7554 -13.6168 -13.6168 -13.5229 -13.5229 6.8276 6.8276 6.8767 6.8767 11.6644 11.6644 11.7002 11.7002 12.0633 12.0633 12.0659 12.0659 14.4486 14.4486 14.4678 14.4678 15.3949 15.3949 k = 0.2941 0.2941 0.3410 ( 1874 PWs) bands (ev): -36.1343 -36.1343 -36.1343 -36.1343 -15.4757 -15.4757 -15.4433 -15.4433 -13.8827 -13.8827 -13.7499 -13.7499 -13.6122 -13.6122 -13.5177 -13.5177 6.8029 6.8029 6.8526 6.8526 11.6736 11.6736 11.7126 11.7126 12.0895 12.0895 12.0906 12.0906 14.4208 14.4208 14.4388 14.4388 15.3297 15.3297 k = 0.2868 0.2868 0.3410 ( 1872 PWs) bands (ev): -36.1358 -36.1358 -36.1358 -36.1358 -15.4717 -15.4717 -15.4390 -15.4390 -13.8780 -13.8780 -13.7443 -13.7443 -13.6076 -13.6076 -13.5126 -13.5126 6.7776 6.7776 6.8280 6.8280 11.6764 11.6764 11.7175 11.7175 12.1196 12.1196 12.1234 12.1234 14.3947 14.3947 14.4114 14.4114 15.2672 15.2672 k = 0.2794 0.2794 0.3410 ( 1876 PWs) bands (ev): -36.1374 -36.1374 -36.1374 -36.1374 -15.4676 -15.4676 -15.4347 -15.4347 -13.8731 -13.8731 -13.7387 -13.7387 -13.6030 -13.6030 -13.5076 -13.5076 6.7519 6.7519 6.8027 6.8027 11.6738 11.6738 11.7162 11.7162 12.1544 12.1544 12.1601 12.1601 14.3710 14.3710 14.3864 14.3864 15.2075 15.2075 k = 0.2721 0.2721 0.3410 ( 1876 PWs) bands (ev): -36.1390 -36.1390 -36.1390 -36.1390 -15.4634 -15.4634 -15.4303 -15.4303 -13.8679 -13.8679 -13.7331 -13.7331 -13.5984 -13.5984 -13.5028 -13.5028 6.7258 6.7258 6.7770 6.7770 11.6672 11.6672 11.7100 11.7100 12.1922 12.1922 12.1992 12.1992 14.3505 14.3505 14.3644 14.3644 15.1508 15.1508 k = 0.2647 0.2647 0.3410 ( 1872 PWs) bands (ev): -36.1405 -36.1405 -36.1405 -36.1405 -15.4591 -15.4591 -15.4259 -15.4259 -13.8625 -13.8625 -13.7274 -13.7274 -13.5937 -13.5937 -13.4980 -13.4980 6.6993 6.6993 6.7507 6.7507 11.6572 11.6572 11.7000 11.7000 12.2312 12.2312 12.2392 12.2392 14.3337 14.3337 14.3461 14.3461 15.0970 15.0970 k = 0.2574 0.2574 0.3410 ( 1880 PWs) bands (ev): -36.1422 -36.1422 -36.1422 -36.1422 -15.4547 -15.4547 -15.4215 -15.4215 -13.8568 -13.8568 -13.7217 -13.7217 -13.5891 -13.5891 -13.4935 -13.4935 6.6725 6.6725 6.7239 6.7239 11.6448 11.6448 11.6871 11.6871 12.2704 12.2704 12.2791 12.2791 14.3212 14.3212 14.3319 14.3319 15.0462 15.0462 k = 0.2500 0.2500 0.3410 ( 1880 PWs) bands (ev): -36.1438 -36.1438 -36.1438 -36.1438 -15.4503 -15.4503 -15.4170 -15.4170 -13.8510 -13.8510 -13.7161 -13.7161 -13.5845 -13.5845 -13.4890 -13.4890 6.6453 6.6453 6.6967 6.6967 11.6302 11.6302 11.6718 11.6718 12.3089 12.3089 12.3181 12.3181 14.3132 14.3132 14.3223 14.3223 14.9986 14.9986 k = 0.2426 0.2426 0.3410 ( 1874 PWs) bands (ev): -36.1453 -36.1453 -36.1453 -36.1453 -15.4457 -15.4457 -15.4126 -15.4126 -13.8450 -13.8450 -13.7104 -13.7104 -13.5799 -13.5799 -13.4847 -13.4847 6.6180 6.6180 6.6692 6.6692 11.6140 11.6140 11.6547 11.6547 12.3458 12.3458 12.3555 12.3555 14.3102 14.3102 14.3176 14.3176 14.9541 14.9541 k = 0.2353 0.2353 0.3410 ( 1876 PWs) bands (ev): -36.1469 -36.1469 -36.1469 -36.1469 -15.4411 -15.4411 -15.4082 -15.4082 -13.8387 -13.8387 -13.7048 -13.7048 -13.5753 -13.5753 -13.4806 -13.4806 6.5904 6.5904 6.6414 6.6414 11.5962 11.5962 11.6360 11.6360 12.3809 12.3809 12.3911 12.3911 14.3121 14.3121 14.3178 14.3178 14.9129 14.9129 k = 0.2279 0.2279 0.3410 ( 1876 PWs) bands (ev): -36.1485 -36.1485 -36.1485 -36.1485 -15.4365 -15.4365 -15.4038 -15.4038 -13.8324 -13.8324 -13.6992 -13.6992 -13.5708 -13.5708 -13.4766 -13.4766 6.5627 6.5627 6.6134 6.6134 11.5773 11.5773 11.6158 11.6158 12.4138 12.4138 12.4244 12.4244 14.3190 14.3190 14.3229 14.3229 14.8748 14.8748 k = 0.2206 0.2206 0.3410 ( 1880 PWs) bands (ev): -36.1501 -36.1501 -36.1501 -36.1501 -15.4318 -15.4318 -15.3994 -15.3994 -13.8258 -13.8258 -13.6936 -13.6936 -13.5664 -13.5664 -13.4728 -13.4728 6.5349 6.5349 6.5851 6.5851 11.5572 11.5572 11.5945 11.5945 12.4444 12.4444 12.4554 12.4554 14.3306 14.3306 14.3327 14.3327 14.8401 14.8401 k = 0.2132 0.2132 0.3410 ( 1880 PWs) bands (ev): -36.1517 -36.1517 -36.1517 -36.1517 -15.4271 -15.4271 -15.3950 -15.3950 -13.8192 -13.8192 -13.6881 -13.6881 -13.5620 -13.5620 -13.4692 -13.4692 6.5071 6.5071 6.5567 6.5567 11.5361 11.5361 11.5721 11.5721 12.4727 12.4727 12.4841 12.4841 14.3466 14.3466 14.3468 14.3468 14.8088 14.8088 k = 0.2059 0.2059 0.3410 ( 1880 PWs) bands (ev): -36.1533 -36.1533 -36.1533 -36.1533 -15.4223 -15.4223 -15.3907 -15.3907 -13.8124 -13.8124 -13.6828 -13.6828 -13.5577 -13.5577 -13.4658 -13.4658 6.4794 6.4794 6.5282 6.5282 11.5142 11.5142 11.5489 11.5489 12.4989 12.4989 12.5105 12.5105 14.3647 14.3647 14.3664 14.3664 14.7808 14.7808 k = 0.1985 0.1985 0.3410 ( 1888 PWs) bands (ev): -36.1548 -36.1548 -36.1548 -36.1548 -15.4176 -15.4176 -15.3865 -15.3865 -13.8055 -13.8055 -13.6775 -13.6775 -13.5534 -13.5534 -13.4625 -13.4625 6.4517 6.4517 6.4998 6.4998 11.4916 11.4916 11.5248 11.5248 12.5230 12.5230 12.5350 12.5350 14.3856 14.3856 14.3893 14.3893 14.7563 14.7563 k = 0.1912 0.1912 0.3410 ( 1888 PWs) bands (ev): -36.1564 -36.1564 -36.1564 -36.1564 -15.4128 -15.4128 -15.3823 -15.3823 -13.7986 -13.7986 -13.6724 -13.6724 -13.5492 -13.5492 -13.4595 -13.4595 6.4242 6.4242 6.4714 6.4714 11.4684 11.4684 11.5002 11.5002 12.5455 12.5455 12.5578 12.5578 14.4087 14.4087 14.4145 14.4145 14.7357 14.7357 k = 0.1838 0.1838 0.3410 ( 1888 PWs) bands (ev): -36.1578 -36.1578 -36.1578 -36.1578 -15.4081 -15.4081 -15.3782 -15.3782 -13.7916 -13.7916 -13.6674 -13.6674 -13.5450 -13.5450 -13.4566 -13.4566 6.3970 6.3970 6.4432 6.4432 11.4448 11.4448 11.4751 11.4751 12.5665 12.5665 12.5791 12.5791 14.4326 14.4326 14.4409 14.4409 14.7191 14.7191 k = 0.1765 0.1765 0.3410 ( 1888 PWs) bands (ev): -36.1593 -36.1593 -36.1593 -36.1593 -15.4034 -15.4034 -15.3742 -15.3742 -13.7845 -13.7845 -13.6626 -13.6626 -13.5409 -13.5409 -13.4540 -13.4540 6.3701 6.3701 6.4152 6.4152 11.4208 11.4208 11.4496 11.4496 12.5863 12.5863 12.5992 12.5992 14.4561 14.4561 14.4673 14.4673 14.7071 14.7071 k = 0.1691 0.1691 0.3410 ( 1888 PWs) bands (ev): -36.1607 -36.1607 -36.1607 -36.1607 -15.3987 -15.3987 -15.3703 -15.3703 -13.7774 -13.7774 -13.6580 -13.6580 -13.5368 -13.5368 -13.4516 -13.4516 6.3436 6.3436 6.3874 6.3874 11.3967 11.3967 11.4240 11.4240 12.6053 12.6053 12.6185 12.6185 14.4773 14.4773 14.4919 14.4919 14.7007 14.7007 k = 0.1618 0.1618 0.3410 ( 1888 PWs) bands (ev): -36.1621 -36.1621 -36.1621 -36.1621 -15.3941 -15.3941 -15.3665 -15.3665 -13.7703 -13.7703 -13.6536 -13.6536 -13.5328 -13.5328 -13.4493 -13.4493 6.3176 6.3176 6.3601 6.3601 11.3725 11.3725 11.3983 11.3983 12.6238 12.6238 12.6372 12.6372 14.4945 14.4945 14.5131 14.5131 14.7006 14.7006 k = 0.1544 0.1544 0.3410 ( 1892 PWs) bands (ev): -36.1635 -36.1635 -36.1635 -36.1635 -15.3896 -15.3896 -15.3628 -15.3628 -13.7632 -13.7632 -13.6495 -13.6495 -13.5288 -13.5288 -13.4473 -13.4473 6.2921 6.2921 6.3332 6.3332 11.3484 11.3484 11.3728 11.3728 12.6419 12.6419 12.6556 12.6556 14.5064 14.5064 14.5291 14.5291 14.7074 14.7074 k = 0.1471 0.1471 0.3410 ( 1888 PWs) bands (ev): -36.1647 -36.1647 -36.1647 -36.1647 -15.3851 -15.3851 -15.3592 -15.3592 -13.7561 -13.7561 -13.6457 -13.6457 -13.5248 -13.5248 -13.4455 -13.4455 6.2672 6.2672 6.3068 6.3068 11.3245 11.3245 11.3475 11.3475 12.6600 12.6600 12.6739 12.6739 14.5127 14.5127 14.5390 14.5390 14.7203 14.7203 k = 0.1397 0.1397 0.3410 ( 1892 PWs) bands (ev): -36.1660 -36.1660 -36.1660 -36.1660 -15.3807 -15.3807 -15.3558 -15.3558 -13.7491 -13.7491 -13.6421 -13.6421 -13.5209 -13.5209 -13.4439 -13.4439 6.2429 6.2429 6.2811 6.2811 11.3010 11.3010 11.3225 11.3225 12.6781 12.6781 12.6923 12.6923 14.5142 14.5142 14.5433 14.5433 14.7379 14.7379 k = 0.1324 0.1324 0.3410 ( 1888 PWs) bands (ev): -36.1672 -36.1672 -36.1672 -36.1672 -15.3764 -15.3764 -15.3525 -15.3525 -13.7421 -13.7421 -13.6389 -13.6389 -13.5170 -13.5170 -13.4425 -13.4425 6.2195 6.2195 6.2560 6.2560 11.2780 11.2780 11.2981 11.2981 12.6964 12.6964 12.7108 12.7108 14.5120 14.5120 14.5431 14.5431 14.7581 14.7581 k = 0.1250 0.1250 0.3410 ( 1884 PWs) bands (ev): -36.1683 -36.1683 -36.1683 -36.1683 -15.3722 -15.3722 -15.3494 -15.3494 -13.7352 -13.7352 -13.6360 -13.6360 -13.5131 -13.5131 -13.4414 -13.4414 6.1969 6.1969 6.2317 6.2317 11.2556 11.2556 11.2744 11.2744 12.7151 12.7151 12.7297 12.7297 14.5073 14.5073 14.5396 14.5396 14.7793 14.7793 k = 0.1176 0.1176 0.3410 ( 1884 PWs) bands (ev): -36.1694 -36.1694 -36.1694 -36.1694 -15.3682 -15.3682 -15.3464 -15.3464 -13.7284 -13.7284 -13.6334 -13.6334 -13.5092 -13.5092 -13.4404 -13.4404 6.1752 6.1752 6.2083 6.2083 11.2339 11.2339 11.2513 11.2513 12.7342 12.7342 12.7489 12.7489 14.5007 14.5007 14.5338 14.5338 14.8002 14.8002 k = 0.1103 0.1103 0.3410 ( 1884 PWs) bands (ev): -36.1705 -36.1705 -36.1705 -36.1705 -15.3643 -15.3643 -15.3437 -15.3437 -13.7217 -13.7217 -13.6312 -13.6312 -13.5053 -13.5053 -13.4397 -13.4397 6.1544 6.1544 6.1857 6.1857 11.2130 11.2130 11.2292 11.2292 12.7537 12.7537 12.7685 12.7685 14.4926 14.4926 14.5261 14.5261 14.8201 14.8201 k = 0.1029 0.1029 0.3410 ( 1884 PWs) bands (ev): -36.1715 -36.1715 -36.1715 -36.1715 -15.3605 -15.3605 -15.3411 -15.3411 -13.7150 -13.7150 -13.6293 -13.6293 -13.5015 -13.5015 -13.4392 -13.4392 6.1347 6.1347 6.1642 6.1642 11.1931 11.1931 11.2080 11.2080 12.7735 12.7735 12.7884 12.7884 14.4832 14.4832 14.5169 14.5169 14.8384 14.8384 k = 0.0956 0.0956 0.3410 ( 1884 PWs) bands (ev): -36.1724 -36.1724 -36.1724 -36.1724 -15.3569 -15.3569 -15.3387 -15.3387 -13.7086 -13.7086 -13.6279 -13.6279 -13.4977 -13.4977 -13.4390 -13.4390 6.1161 6.1161 6.1437 6.1437 11.1742 11.1742 11.1879 11.1879 12.7937 12.7937 12.8086 12.8086 14.4726 14.4726 14.5061 14.5061 14.8549 14.8549 k = 0.0882 0.0882 0.3410 ( 1886 PWs) bands (ev): -36.1733 -36.1733 -36.1733 -36.1733 -15.3534 -15.3534 -15.3365 -15.3365 -13.7022 -13.7022 -13.6268 -13.6268 -13.4939 -13.4939 -13.4389 -13.4389 6.0987 6.0987 6.1243 6.1243 11.1564 11.1564 11.1689 11.1689 12.8141 12.8141 12.8288 12.8288 14.4610 14.4610 14.4941 14.4941 14.8695 14.8695 k = 0.0809 0.0809 0.3410 ( 1886 PWs) bands (ev): -36.1741 -36.1741 -36.1741 -36.1741 -15.3502 -15.3502 -15.3345 -15.3345 -13.6961 -13.6961 -13.6261 -13.6261 -13.4902 -13.4902 -13.4391 -13.4391 6.0826 6.0826 6.1062 6.1062 11.1398 11.1398 11.1511 11.1511 12.8345 12.8345 12.8490 12.8490 14.4484 14.4484 14.4807 14.4807 14.8822 14.8822 k = 0.0735 0.0735 0.3410 ( 1882 PWs) bands (ev): -36.1749 -36.1749 -36.1749 -36.1749 -15.3471 -15.3471 -15.3327 -15.3327 -13.6901 -13.6901 -13.6258 -13.6258 -13.4865 -13.4865 -13.4395 -13.4395 6.0677 6.0677 6.0893 6.0893 11.1245 11.1245 11.1347 11.1347 12.8548 12.8548 12.8689 12.8689 14.4351 14.4351 14.4663 14.4663 14.8931 14.8931 k = 0.0662 0.0662 0.3410 ( 1878 PWs) bands (ev): -36.1755 -36.1755 -36.1755 -36.1755 -15.3442 -15.3442 -15.3312 -15.3312 -13.6843 -13.6843 -13.6258 -13.6258 -13.4829 -13.4829 -13.4401 -13.4401 6.0542 6.0542 6.0737 6.0737 11.1105 11.1105 11.1196 11.1196 12.8747 12.8747 12.8883 12.8883 14.4214 14.4214 14.4510 14.4510 14.9025 14.9025 k = 0.0588 0.0588 0.3410 ( 1882 PWs) bands (ev): -36.1762 -36.1762 -36.1762 -36.1762 -15.3415 -15.3415 -15.3299 -15.3299 -13.6787 -13.6787 -13.6263 -13.6263 -13.4793 -13.4793 -13.4409 -13.4409 6.0421 6.0421 6.0595 6.0595 11.0978 11.0978 11.1058 11.1058 12.8940 12.8940 12.9068 12.9068 14.4074 14.4074 14.4352 14.4352 14.9105 14.9105 k = 0.0515 0.0515 0.3410 ( 1882 PWs) bands (ev): -36.1767 -36.1767 -36.1767 -36.1767 -15.3390 -15.3390 -15.3288 -15.3288 -13.6733 -13.6733 -13.6271 -13.6271 -13.4759 -13.4759 -13.4420 -13.4420 6.0315 6.0315 6.0467 6.0467 11.0866 11.0866 11.0936 11.0936 12.9123 12.9123 12.9242 12.9242 14.3938 14.3938 14.4192 14.4192 14.9172 14.9172 k = 0.0441 0.0441 0.3410 ( 1880 PWs) bands (ev): -36.1772 -36.1772 -36.1772 -36.1772 -15.3367 -15.3367 -15.3279 -15.3279 -13.6682 -13.6682 -13.6283 -13.6283 -13.4725 -13.4725 -13.4432 -13.4432 6.0223 6.0223 6.0354 6.0354 11.0769 11.0769 11.0828 11.0828 12.9294 12.9294 12.9402 12.9402 14.3808 14.3808 14.4036 14.4036 14.9228 14.9228 k = 0.0368 0.0368 0.3410 ( 1872 PWs) bands (ev): -36.1775 -36.1775 -36.1775 -36.1775 -15.3347 -15.3347 -15.3273 -15.3273 -13.6633 -13.6633 -13.6299 -13.6299 -13.4692 -13.4692 -13.4447 -13.4447 6.0146 6.0146 6.0256 6.0256 11.0687 11.0687 11.0736 11.0736 12.9448 12.9448 12.9542 12.9542 14.3691 14.3691 14.3888 14.3888 14.9275 14.9275 k = 0.0294 0.0294 0.3410 ( 1876 PWs) bands (ev): -36.1779 -36.1779 -36.1779 -36.1779 -15.3329 -15.3329 -15.3270 -15.3270 -13.6586 -13.6586 -13.6318 -13.6318 -13.4661 -13.4661 -13.4463 -13.4463 6.0085 6.0085 6.0173 6.0173 11.0620 11.0620 11.0659 11.0659 12.9583 12.9583 12.9661 12.9661 14.3591 14.3591 14.3753 14.3753 14.9313 14.9313 k = 0.0221 0.0221 0.3410 ( 1868 PWs) bands (ev): -36.1781 -36.1781 -36.1781 -36.1781 -15.3313 -15.3313 -15.3268 -15.3268 -13.6542 -13.6542 -13.6340 -13.6340 -13.4630 -13.4630 -13.4482 -13.4482 6.0040 6.0040 6.0106 6.0106 11.0569 11.0569 11.0598 11.0598 12.9694 12.9694 12.9755 12.9755 14.3513 14.3513 14.3638 14.3638 14.9343 14.9343 k = 0.0147 0.0147 0.3410 ( 1868 PWs) bands (ev): -36.1783 -36.1783 -36.1783 -36.1783 -15.3299 -15.3299 -15.3270 -15.3270 -13.6501 -13.6501 -13.6366 -13.6366 -13.4602 -13.4602 -13.4502 -13.4502 6.0011 6.0011 6.0055 6.0055 11.0534 11.0534 11.0553 11.0553 12.9779 12.9779 12.9821 12.9821 14.3461 14.3461 14.3545 14.3545 14.9365 14.9365 k = 0.0074 0.0074 0.3410 ( 1868 PWs) bands (ev): -36.1784 -36.1784 -36.1784 -36.1784 -15.3288 -15.3288 -15.3273 -15.3273 -13.6463 -13.6463 -13.6395 -13.6395 -13.4574 -13.4574 -13.4525 -13.4525 5.9998 5.9998 6.0020 6.0020 11.0514 11.0514 11.0524 11.0524 12.9836 12.9836 12.9857 12.9857 14.3437 14.3437 14.3479 14.3479 14.9380 14.9380 k = 0.0000 0.0000 0.3410 ( 1868 PWs) bands (ev): -36.1784 -36.1784 -36.1784 -36.1784 -15.3279 -15.3279 -15.3279 -15.3279 -13.6427 -13.6427 -13.6427 -13.6427 -13.4549 -13.4549 -13.4549 -13.4549 6.0001 6.0001 6.0001 6.0001 11.0511 11.0511 11.0511 11.0511 12.9862 12.9862 12.9862 12.9862 14.3443 14.3443 14.3443 14.3443 14.9387 14.9387 k = 0.0000 0.5000-0.0000 ( 1874 PWs) bands (ev): -36.1464 -36.1464 -36.1409 -36.1409 -15.4650 -15.4650 -15.4145 -15.4145 -13.8539 -13.8539 -13.7404 -13.7404 -13.5714 -13.5714 -13.4644 -13.4644 6.1701 6.1701 7.3878 7.3878 10.7283 10.7283 12.1219 12.1219 12.1515 12.1515 12.5112 12.5112 14.2877 14.2877 14.5342 14.5342 14.8316 14.8316 k = 0.0000 0.5000 0.0103 ( 1874 PWs) bands (ev): -36.1464 -36.1464 -36.1409 -36.1409 -15.4651 -15.4651 -15.4146 -15.4146 -13.8541 -13.8541 -13.7405 -13.7405 -13.5712 -13.5712 -13.4642 -13.4642 6.1666 6.1666 7.3920 7.3920 10.7257 10.7257 12.1234 12.1234 12.1532 12.1532 12.5138 12.5138 14.2767 14.2767 14.5294 14.5294 14.8439 14.8439 k = 0.0000 0.5000 0.0207 ( 1874 PWs) bands (ev): -36.1464 -36.1464 -36.1409 -36.1409 -15.4655 -15.4655 -15.4146 -15.4146 -13.8544 -13.8544 -13.7407 -13.7407 -13.5705 -13.5705 -13.4637 -13.4637 6.1564 6.1564 7.4046 7.4046 10.7181 10.7181 12.1280 12.1280 12.1583 12.1583 12.5216 12.5216 14.2462 14.2462 14.5150 14.5150 14.8784 14.8784 k = 0.0000 0.5000 0.0310 ( 1866 PWs) bands (ev): -36.1463 -36.1463 -36.1408 -36.1408 -15.4660 -15.4660 -15.4147 -15.4147 -13.8551 -13.8551 -13.7411 -13.7411 -13.5695 -13.5695 -13.4629 -13.4629 6.1398 6.1398 7.4250 7.4250 10.7057 10.7057 12.1353 12.1353 12.1668 12.1668 12.5345 12.5345 14.2020 14.2020 14.4920 14.4920 14.9295 14.9295 k = 0.0000 0.5000 0.0413 ( 1858 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4667 -15.4667 -15.4149 -15.4149 -13.8560 -13.8560 -13.7417 -13.7417 -13.5680 -13.5680 -13.4617 -13.4617 6.1176 6.1176 7.4525 7.4525 10.6888 10.6888 12.1450 12.1450 12.1788 12.1788 12.5523 12.5523 14.1495 14.1495 14.4619 14.4619 14.9918 14.9918 k = 0.0000 0.5000 0.0517 ( 1858 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4677 -15.4677 -15.4151 -15.4151 -13.8571 -13.8571 -13.7424 -13.7424 -13.5662 -13.5662 -13.4602 -13.4602 6.0906 6.0906 7.4862 7.4862 10.6680 10.6680 12.1570 12.1570 12.1943 12.1943 12.5746 12.5746 14.0923 14.0923 14.4261 14.4261 15.0615 15.0615 k = 0.0000 0.5000 0.0620 ( 1858 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4688 -15.4688 -15.4153 -15.4153 -13.8584 -13.8584 -13.7433 -13.7433 -13.5640 -13.5640 -13.4585 -13.4585 6.0597 6.0597 7.5252 7.5252 10.6437 10.6437 12.1709 12.1709 12.2130 12.2130 12.6013 12.6013 14.0329 14.0329 14.3861 14.3861 15.1364 15.1364 k = 0.0000 0.5000 0.0723 ( 1862 PWs) bands (ev): -36.1463 -36.1463 -36.1407 -36.1407 -15.4701 -15.4701 -15.4156 -15.4156 -13.8598 -13.8598 -13.7443 -13.7443 -13.5614 -13.5614 -13.4565 -13.4565 6.0257 6.0257 7.5685 7.5685 10.6165 10.6165 12.1867 12.1867 12.2346 12.2346 12.6318 12.6318 13.9726 13.9726 14.3433 14.3433 15.2146 15.2146 k = 0.0000 0.5000 0.0827 ( 1866 PWs) bands (ev): -36.1463 -36.1463 -36.1408 -36.1408 -15.4716 -15.4716 -15.4159 -15.4159 -13.8615 -13.8615 -13.7454 -13.7454 -13.5586 -13.5586 -13.4542 -13.4542 5.9894 5.9894 7.6155 7.6155 10.5870 10.5870 12.2044 12.2044 12.2590 12.2590 12.6657 12.6657 13.9125 13.9125 14.2986 14.2986 15.2953 15.2953 k = 0.0000 0.5000 0.0930 ( 1874 PWs) bands (ev): -36.1463 -36.1463 -36.1408 -36.1408 -15.4732 -15.4732 -15.4163 -15.4163 -13.8633 -13.8633 -13.7466 -13.7466 -13.5555 -13.5555 -13.4517 -13.4517 5.9515 5.9515 7.6652 7.6652 10.5556 10.5556 12.2239 12.2239 12.2859 12.2859 12.7024 12.7024 13.8531 13.8531 14.2529 14.2529 15.3776 15.3776 k = 0.0000 0.5000 0.1033 ( 1874 PWs) bands (ev): -36.1463 -36.1463 -36.1408 -36.1408 -15.4749 -15.4749 -15.4168 -15.4168 -13.8651 -13.8651 -13.7479 -13.7479 -13.5522 -13.5522 -13.4490 -13.4490 5.9127 5.9127 7.7170 7.7170 10.5229 10.5229 12.2452 12.2452 12.3150 12.3150 12.7414 12.7414 13.7949 13.7949 14.2069 14.2069 15.4610 15.4610 k = 0.0000 0.5000 0.1137 ( 1866 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4767 -15.4767 -15.4172 -15.4172 -13.8671 -13.8671 -13.7492 -13.7492 -13.5487 -13.5487 -13.4462 -13.4462 5.8733 5.8733 7.7704 7.7704 10.4893 10.4893 12.2682 12.2682 12.3462 12.3462 12.7821 12.7821 13.7383 13.7383 14.1610 14.1610 15.5450 15.5450 k = 0.0000 0.5000 0.1240 ( 1866 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4786 -15.4786 -15.4178 -15.4178 -13.8691 -13.8691 -13.7506 -13.7506 -13.5450 -13.5450 -13.4433 -13.4433 5.8338 5.8338 7.8247 7.8247 10.4553 10.4553 12.2926 12.2926 12.3794 12.3794 12.8241 12.8241 13.6834 13.6834 14.1158 14.1158 15.6291 15.6291 k = 0.0000 0.5000 0.1343 ( 1862 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4806 -15.4806 -15.4183 -15.4183 -13.8712 -13.8712 -13.7521 -13.7521 -13.5412 -13.5412 -13.4402 -13.4402 5.7947 5.7947 7.8794 7.8794 10.4211 10.4211 12.3185 12.3185 12.4144 12.4144 12.8666 12.8666 13.6304 13.6304 14.0714 14.0714 15.7130 15.7130 k = 0.0000 0.5000 0.1446 ( 1862 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4826 -15.4826 -15.4189 -15.4189 -13.8733 -13.8733 -13.7536 -13.7536 -13.5373 -13.5373 -13.4371 -13.4371 5.7561 5.7561 7.9342 7.9342 10.3871 10.3871 12.3455 12.3455 12.4510 12.4510 12.9091 12.9091 13.5795 13.5795 14.0283 14.0283 15.7963 15.7963 k = 0.0000 0.5000 0.1550 ( 1862 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4847 -15.4847 -15.4196 -15.4196 -13.8753 -13.8753 -13.7551 -13.7551 -13.5334 -13.5334 -13.4340 -13.4340 5.7184 5.7184 7.9886 7.9886 10.3536 10.3536 12.3737 12.3737 12.4893 12.4893 12.9512 12.9512 13.5308 13.5308 13.9865 13.9865 15.8786 15.8786 k = 0.0000 0.5000 0.1653 ( 1858 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4867 -15.4867 -15.4202 -15.4202 -13.8774 -13.8774 -13.7565 -13.7565 -13.5295 -13.5295 -13.4308 -13.4308 5.6819 5.6819 8.0423 8.0423 10.3208 10.3208 12.4026 12.4026 12.5289 12.5289 12.9923 12.9923 13.4845 13.4845 13.9464 13.9464 15.9597 15.9597 k = 0.0000 0.5000 0.1756 ( 1858 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.4888 -15.4888 -15.4209 -15.4209 -13.8794 -13.8794 -13.7580 -13.7580 -13.5256 -13.5256 -13.4277 -13.4277 5.6466 5.6466 8.0949 8.0949 10.2890 10.2890 12.4322 12.4322 12.5698 12.5698 13.0320 13.0320 13.4405 13.4405 13.9080 13.9080 16.0391 16.0391 k = 0.0000 0.5000 0.1860 ( 1866 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4908 -15.4908 -15.4216 -15.4216 -13.8813 -13.8813 -13.7594 -13.7594 -13.5218 -13.5218 -13.4246 -13.4246 5.6128 5.6128 8.1460 8.1460 10.2583 10.2583 12.4621 12.4621 12.6119 12.6119 13.0696 13.0696 13.3991 13.3991 13.8715 13.8715 16.1163 16.1163 k = 0.0000 0.5000 0.1963 ( 1866 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4928 -15.4928 -15.4222 -15.4222 -13.8832 -13.8832 -13.7608 -13.7608 -13.5181 -13.5181 -13.4215 -13.4215 5.5807 5.5807 8.1954 8.1954 10.2290 10.2290 12.4921 12.4921 12.6548 12.6548 13.1047 13.1047 13.3603 13.3603 13.8370 13.8370 16.1912 16.1912 k = 0.0000 0.5000 0.2066 ( 1862 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.4947 -15.4947 -15.4229 -15.4229 -13.8850 -13.8850 -13.7621 -13.7621 -13.5145 -13.5145 -13.4186 -13.4186 5.5503 5.5503 8.2429 8.2429 10.2011 10.2011 12.5220 12.5220 12.6984 12.6984 13.1369 13.1369 13.3244 13.3244 13.8046 13.8046 16.2633 16.2633 k = 0.0000 0.5000 0.2170 ( 1868 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.4966 -15.4966 -15.4236 -15.4236 -13.8867 -13.8867 -13.7634 -13.7634 -13.5110 -13.5110 -13.4158 -13.4158 5.5217 5.5217 8.2880 8.2880 10.1749 10.1749 12.5514 12.5514 12.7424 12.7424 13.1653 13.1653 13.2916 13.2916 13.7743 13.7743 16.3321 16.3321 k = 0.0000 0.5000 0.2273 ( 1864 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.4983 -15.4983 -15.4242 -15.4242 -13.8882 -13.8882 -13.7646 -13.7646 -13.5078 -13.5078 -13.4131 -13.4131 5.4952 5.4952 8.3306 8.3306 10.1504 10.1504 12.5800 12.5800 12.7867 12.7867 13.1885 13.1885 13.2634 13.2634 13.7463 13.7463 16.3974 16.3974 k = 0.0000 0.5000 0.2376 ( 1862 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5000 -15.5000 -15.4248 -15.4248 -13.8897 -13.8897 -13.7657 -13.7657 -13.5047 -13.5047 -13.4106 -13.4106 5.4707 5.4707 8.3704 8.3704 10.1277 10.1277 12.6075 12.6075 12.8308 12.8308 13.2007 13.2007 13.2450 13.2450 13.7206 13.7206 16.4586 16.4586 k = 0.0000 0.5000 0.2480 ( 1862 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5015 -15.5015 -15.4254 -15.4254 -13.8911 -13.8911 -13.7667 -13.7667 -13.5018 -13.5018 -13.4083 -13.4083 5.4483 5.4483 8.4072 8.4072 10.1069 10.1069 12.6336 12.6336 12.8745 12.8745 13.1915 13.1915 13.2467 13.2467 13.6972 13.6972 16.5155 16.5155 k = 0.0000 0.5000 0.2583 ( 1868 PWs) bands (ev): -36.1461 -36.1461 -36.1407 -36.1407 -15.5029 -15.5029 -15.4260 -15.4260 -13.8923 -13.8923 -13.7677 -13.7677 -13.4992 -13.4992 -13.4062 -13.4062 5.4281 5.4281 8.4407 8.4407 10.0881 10.0881 12.6580 12.6580 12.9174 12.9174 13.1728 13.1728 13.2565 13.2565 13.6761 13.6761 16.5675 16.5675 k = 0.0000 0.5000 0.2686 ( 1872 PWs) bands (ev): -36.1462 -36.1462 -36.1407 -36.1407 -15.5042 -15.5042 -15.4265 -15.4265 -13.8934 -13.8934 -13.7685 -13.7685 -13.4969 -13.4969 -13.4043 -13.4043 5.4101 5.4101 8.4708 8.4708 10.0713 10.0713 12.6804 12.6804 12.9592 12.9592 13.1543 13.1543 13.2647 13.2647 13.6575 13.6575 16.6144 16.6144 k = 0.0000 0.5000 0.2790 ( 1868 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5053 -15.5053 -15.4269 -15.4269 -13.8944 -13.8944 -13.7692 -13.7692 -13.4949 -13.4949 -13.4026 -13.4026 5.3945 5.3945 8.4972 8.4972 10.0567 10.0567 12.7004 12.7004 12.9991 12.9991 13.1380 13.1380 13.2693 13.2693 13.6412 13.6412 16.6557 16.6557 k = 0.0000 0.5000 0.2893 ( 1860 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5063 -15.5063 -15.4273 -15.4273 -13.8952 -13.8952 -13.7698 -13.7698 -13.4931 -13.4931 -13.4012 -13.4012 5.3812 5.3812 8.5199 8.5199 10.0443 10.0443 12.7179 12.7179 13.0364 13.0364 13.1249 13.1249 13.2698 13.2698 13.6275 13.6275 16.6913 16.6913 k = 0.0000 0.5000 0.2996 ( 1868 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5071 -15.5071 -15.4276 -15.4276 -13.8958 -13.8958 -13.7704 -13.7704 -13.4916 -13.4916 -13.4000 -13.4000 5.3702 5.3702 8.5387 8.5387 10.0340 10.0340 12.7325 12.7325 13.0682 13.0682 13.1176 13.1176 13.2660 13.2660 13.6161 13.6161 16.7206 16.7206 k = 0.0000 0.5000 0.3100 ( 1872 PWs) bands (ev): -36.1461 -36.1461 -36.1407 -36.1407 -15.5077 -15.5077 -15.4279 -15.4279 -13.8964 -13.8964 -13.7708 -13.7708 -13.4905 -13.4905 -13.3990 -13.3990 5.3617 5.3617 8.5533 8.5533 10.0260 10.0260 12.7441 12.7441 13.0849 13.0849 13.1254 13.1254 13.2581 13.2581 13.6073 13.6073 16.7437 16.7437 k = 0.0000 0.5000 0.3203 ( 1872 PWs) bands (ev): -36.1461 -36.1461 -36.1407 -36.1407 -15.5082 -15.5082 -15.4280 -15.4280 -13.8967 -13.8967 -13.7711 -13.7711 -13.4897 -13.4897 -13.3984 -13.3984 5.3556 5.3556 8.5639 8.5639 10.0203 10.0203 12.7524 12.7524 13.0854 13.0854 13.1483 13.1483 13.2466 13.2466 13.6009 13.6009 16.7603 16.7603 k = 0.0000 0.5000 0.3306 ( 1872 PWs) bands (ev): -36.1461 -36.1461 -36.1407 -36.1407 -15.5084 -15.5084 -15.4281 -15.4281 -13.8970 -13.8970 -13.7712 -13.7712 -13.4892 -13.4892 -13.3979 -13.3979 5.3519 5.3519 8.5703 8.5703 10.0169 10.0169 12.7575 12.7575 13.0833 13.0833 13.1711 13.1711 13.2333 13.2333 13.5971 13.5971 16.7703 16.7703 k = 0.0000 0.5000 0.3410 ( 1868 PWs) bands (ev): -36.1461 -36.1461 -36.1406 -36.1406 -15.5085 -15.5085 -15.4282 -15.4282 -13.8971 -13.8971 -13.7713 -13.7713 -13.4890 -13.4890 -13.3978 -13.3978 5.3507 5.3507 8.5724 8.5724 10.0157 10.0157 12.7592 12.7592 13.0824 13.0824 13.1824 13.1824 13.2252 13.2252 13.5958 13.5958 16.7736 16.7736 k = 0.5000 0.5000-0.0000 ( 1916 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5752 -15.5752 -15.4949 -15.4949 -13.9675 -13.9675 -13.8423 -13.8423 -13.6475 -13.6475 -13.5726 -13.5726 6.0927 6.0927 8.5437 8.5437 9.8532 9.8532 9.8549 9.8549 10.8922 10.8922 15.3155 15.3155 16.8916 16.8916 17.0615 17.0615 17.0853 17.0853 k = 0.5000 0.5000 0.0103 ( 1908 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5752 -15.5752 -15.4949 -15.4949 -13.9674 -13.9674 -13.8423 -13.8423 -13.6476 -13.6476 -13.5728 -13.5728 6.0939 6.0939 8.5419 8.5419 9.8549 9.8549 9.8566 9.8566 10.8937 10.8937 15.3071 15.3071 16.8933 16.8933 17.0551 17.0551 17.0785 17.0785 k = 0.5000 0.5000 0.0207 ( 1908 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5749 -15.5749 -15.4949 -15.4949 -13.9672 -13.9672 -13.8423 -13.8423 -13.6479 -13.6479 -13.5731 -13.5731 6.0975 6.0975 8.5367 8.5367 9.8600 9.8600 9.8618 9.8618 10.8980 10.8980 15.2823 15.2823 16.8981 16.8981 17.0356 17.0356 17.0585 17.0585 k = 0.5000 0.5000 0.0310 ( 1908 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5746 -15.5746 -15.4950 -15.4950 -13.9668 -13.9668 -13.8423 -13.8423 -13.6484 -13.6484 -13.5737 -13.5737 6.1033 6.1033 8.5281 8.5281 9.8685 9.8685 9.8703 9.8703 10.9052 10.9052 15.2423 15.2423 16.9050 16.9050 17.0033 17.0033 17.0267 17.0267 k = 0.5000 0.5000 0.0413 ( 1908 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5741 -15.5741 -15.4951 -15.4951 -13.9662 -13.9662 -13.8423 -13.8423 -13.6490 -13.6490 -13.5745 -13.5745 6.1115 6.1115 8.5160 8.5160 9.8804 9.8804 9.8822 9.8822 10.9153 10.9153 15.1888 15.1888 16.9092 16.9092 16.9583 16.9583 16.9884 16.9884 k = 0.5000 0.5000 0.0517 ( 1908 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5734 -15.5734 -15.4953 -15.4953 -13.9655 -13.9655 -13.8423 -13.8423 -13.6498 -13.6498 -13.5755 -13.5755 6.1221 6.1221 8.5006 8.5006 9.8956 9.8956 9.8974 9.8974 10.9283 10.9283 15.1236 15.1236 16.8882 16.8882 16.9011 16.9011 16.9671 16.9671 k = 0.5000 0.5000 0.0620 ( 1908 PWs) bands (ev): -36.1096 -36.1096 -36.1096 -36.1096 -15.5726 -15.5726 -15.4955 -15.4955 -13.9646 -13.9646 -13.8423 -13.8423 -13.6508 -13.6508 -13.5768 -13.5768 6.1349 6.1349 8.4819 8.4819 9.9142 9.9142 9.9159 9.9159 10.9441 10.9441 15.0489 15.0489 16.8290 16.8290 16.8326 16.8326 16.9766 16.9766 k = 0.5000 0.5000 0.0723 ( 1916 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5717 -15.5717 -15.4957 -15.4957 -13.9635 -13.9635 -13.8424 -13.8424 -13.6519 -13.6519 -13.5783 -13.5783 6.1500 6.1500 8.4600 8.4600 9.9359 9.9359 9.9377 9.9377 10.9628 10.9628 14.9662 14.9662 16.7517 16.7517 16.7538 16.7538 16.9978 16.9978 k = 0.5000 0.5000 0.0827 ( 1916 PWs) bands (ev): -36.1097 -36.1097 -36.1097 -36.1097 -15.5706 -15.5706 -15.4960 -15.4960 -13.9623 -13.9623 -13.8424 -13.8424 -13.6531 -13.6531 -13.5799 -13.5799 6.1674 6.1674 8.4350 8.4350 9.9607 9.9607 9.9626 9.9626 10.9844 10.9844 14.8773 14.8773 16.6637 16.6637 16.6658 16.6658 17.0246 17.0246 k = 0.5000 0.5000 0.0930 ( 1908 PWs) bands (ev): -36.1096 -36.1096 -36.1096 -36.1096 -15.5694 -15.5694 -15.4963 -15.4963 -13.9609 -13.9609 -13.8426 -13.8426 -13.6544 -13.6544 -13.5818 -13.5818 6.1871 6.1871 8.4070 8.4070 9.9887 9.9887 9.9905 9.9905 11.0088 11.0088 14.7834 14.7834 16.5674 16.5674 16.5700 16.5700 17.0555 17.0555 k = 0.5000 0.5000 0.1033 ( 1900 PWs) bands (ev): -36.1096 -36.1096 -36.1096 -36.1096 -15.5681 -15.5681 -15.4967 -15.4967 -13.9593 -13.9593 -13.8427 -13.8427 -13.6558 -13.6558 -13.5839 -13.5839 6.2089 6.2089 8.3762 8.3762 10.0195 10.0195 10.0214 10.0214 11.0360 11.0360 14.6856 14.6856 16.4643 16.4643 16.4674 16.4674 17.0902 17.0902 k = 0.5000 0.5000 0.1137 ( 1900 PWs) bands (ev): -36.1096 -36.1096 -36.1096 -36.1096 -15.5667 -15.5667 -15.4971 -15.4971 -13.9576 -13.9576 -13.8430 -13.8430 -13.6573 -13.6573 -13.5861 -13.5861 6.2329 6.2329 8.3426 8.3426 10.0532 10.0532 10.0551 10.0551 11.0660 11.0660 14.5849 14.5849 16.3556 16.3556 16.3592 16.3592 17.1281 17.1281 k = 0.5000 0.5000 0.1240 ( 1900 PWs) bands (ev): -36.1096 -36.1096 -36.1096 -36.1096 -15.5652 -15.5652 -15.4975 -15.4975 -13.9557 -13.9557 -13.8433 -13.8433 -13.6588 -13.6588 -13.5886 -13.5886 6.2591 6.2591 8.3063 8.3063 10.0896 10.0896 10.0914 10.0914 11.0987 11.0987 14.4820 14.4820 16.2426 16.2426 16.2465 16.2465 17.1691 17.1691 k = 0.5000 0.5000 0.1343 ( 1904 PWs) bands (ev): -36.1096 -36.1096 -36.1096 -36.1096 -15.5636 -15.5636 -15.4980 -15.4980 -13.9537 -13.9537 -13.8437 -13.8437 -13.6603 -13.6603 -13.5912 -13.5912 6.2873 6.2873 8.2675 8.2675 10.1285 10.1285 10.1303 10.1303 11.1343 11.1343 14.3774 14.3774 16.1262 16.1262 16.1304 16.1304 17.2130 17.2130 k = 0.5000 0.5000 0.1446 ( 1904 PWs) bands (ev): -36.1096 -36.1096 -36.1096 -36.1096 -15.5618 -15.5618 -15.4986 -15.4986 -13.9515 -13.9515 -13.8442 -13.8442 -13.6618 -13.6618 -13.5939 -13.5939 6.3176 6.3176 8.2265 8.2265 10.1697 10.1697 10.1715 10.1715 11.1726 11.1726 14.2718 14.2718 16.0076 16.0076 16.0119 16.0119 17.2593 17.2593 k = 0.5000 0.5000 0.1550 ( 1900 PWs) bands (ev): -36.1095 -36.1095 -36.1095 -36.1095 -15.5600 -15.5600 -15.4992 -15.4992 -13.9491 -13.9491 -13.8449 -13.8449 -13.6632 -13.6632 -13.5968 -13.5968 6.3500 6.3500 8.1832 8.1832 10.2130 10.2130 10.2148 10.2148 11.2136 11.2136 14.1655 14.1655 15.8875 15.8875 15.8920 15.8920 17.3078 17.3078 k = 0.5000 0.5000 0.1653 ( 1900 PWs) bands (ev): -36.1095 -36.1095 -36.1095 -36.1095 -15.5581 -15.5581 -15.4999 -15.4999 -13.9466 -13.9466 -13.8457 -13.8457 -13.6645 -13.6645 -13.5998 -13.5998 6.3842 6.3842 8.1379 8.1379 10.2582 10.2582 10.2600 10.2600 11.2573 11.2573 14.0589 14.0589 15.7670 15.7670 15.7714 15.7714 17.3576 17.3576 k = 0.5000 0.5000 0.1756 ( 1884 PWs) bands (ev): -36.1094 -36.1094 -36.1094 -36.1094 -15.5562 -15.5562 -15.5006 -15.5006 -13.9440 -13.9440 -13.8466 -13.8466 -13.6658 -13.6658 -13.6029 -13.6029 6.4205 6.4205 8.0907 8.0907 10.3049 10.3049 10.3067 10.3067 11.3037 11.3037 13.9523 13.9523 15.6468 15.6468 15.6512 15.6512 17.4070 17.4070 k = 0.5000 0.5000 0.1860 ( 1884 PWs) bands (ev): -36.1094 -36.1094 -36.1094 -36.1094 -15.5542 -15.5542 -15.5015 -15.5015 -13.9412 -13.9412 -13.8477 -13.8477 -13.6669 -13.6669 -13.6062 -13.6062 6.4585 6.4585 8.0418 8.0418 10.3530 10.3530 10.3548 10.3548 11.3527 11.3527 13.8459 13.8459 15.5277 15.5277 15.5320 15.5320 17.4510 17.4510 k = 0.5000 0.5000 0.1963 ( 1884 PWs) bands (ev): -36.1094 -36.1094 -36.1094 -36.1094 -15.5521 -15.5521 -15.5023 -15.5023 -13.9383 -13.9383 -13.8490 -13.8490 -13.6678 -13.6678 -13.6095 -13.6095 6.4984 6.4984 7.9913 7.9913 10.4020 10.4020 10.4037 10.4037 11.4044 11.4044 13.7399 13.7399 15.4105 15.4105 15.4147 15.4147 17.4803 17.4803 k = 0.5000 0.5000 0.2066 ( 1876 PWs) bands (ev): -36.1093 -36.1093 -36.1093 -36.1093 -15.5500 -15.5500 -15.5033 -15.5033 -13.9352 -13.9352 -13.8505 -13.8505 -13.6685 -13.6685 -13.6129 -13.6129 6.5399 6.5399 7.9394 7.9394 10.4515 10.4515 10.4532 10.4532 11.4586 11.4586 13.6346 13.6346 15.2961 15.2961 15.3001 15.3001 17.4939 17.4939 k = 0.5000 0.5000 0.2170 ( 1872 PWs) bands (ev): -36.1093 -36.1093 -36.1093 -36.1093 -15.5478 -15.5478 -15.5043 -15.5043 -13.9320 -13.9320 -13.8523 -13.8523 -13.6691 -13.6691 -13.6163 -13.6163 6.5831 6.5831 7.8862 7.8862 10.5012 10.5012 10.5028 10.5028 11.5154 11.5154 13.5302 13.5302 15.1852 15.1852 15.1890 15.1890 17.5002 17.5002 k = 0.5000 0.5000 0.2273 ( 1872 PWs) bands (ev): -36.1093 -36.1093 -36.1093 -36.1093 -15.5456 -15.5456 -15.5054 -15.5054 -13.9287 -13.9287 -13.8542 -13.8542 -13.6693 -13.6693 -13.6198 -13.6198 6.6280 6.6280 7.8319 7.8319 10.5504 10.5504 10.5520 10.5520 11.5747 11.5747 13.4267 13.4267 15.0786 15.0786 15.0822 15.0822 17.5035 17.5035 k = 0.5000 0.5000 0.2376 ( 1872 PWs) bands (ev): -36.1093 -36.1093 -36.1093 -36.1093 -15.5435 -15.5435 -15.5066 -15.5066 -13.9253 -13.9253 -13.8563 -13.8563 -13.6694 -13.6694 -13.6233 -13.6233 6.6743 6.6743 7.7767 7.7767 10.5987 10.5987 10.6002 10.6002 11.6365 11.6365 13.3243 13.3243 14.9771 14.9771 14.9806 14.9806 17.5055 17.5055 k = 0.5000 0.5000 0.2480 ( 1864 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5413 -15.5413 -15.5078 -15.5078 -13.9218 -13.9218 -13.8587 -13.8587 -13.6691 -13.6691 -13.6268 -13.6268 6.7220 6.7220 7.7207 7.7207 10.6455 10.6455 10.6469 10.6469 11.7007 11.7007 13.2231 13.2231 14.8817 14.8817 14.8848 14.8848 17.5069 17.5069 k = 0.5000 0.5000 0.2583 ( 1860 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5390 -15.5390 -15.5091 -15.5091 -13.9182 -13.9182 -13.8612 -13.8612 -13.6686 -13.6686 -13.6302 -13.6302 6.7712 6.7712 7.6640 7.6640 10.6902 10.6902 10.6914 10.6914 11.7674 11.7674 13.1232 13.1232 14.7930 14.7930 14.7959 14.7959 17.5079 17.5082 k = 0.5000 0.5000 0.2686 ( 1860 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5369 -15.5369 -15.5105 -15.5105 -13.9145 -13.9145 -13.8640 -13.8640 -13.6678 -13.6678 -13.6337 -13.6337 6.8216 6.8216 7.6067 7.6067 10.7319 10.7319 10.7330 10.7330 11.8364 11.8364 13.0247 13.0247 14.7121 14.7121 14.7146 14.7146 17.5086 17.5087 k = 0.5000 0.5000 0.2790 ( 1864 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5347 -15.5347 -15.5120 -15.5120 -13.9107 -13.9107 -13.8670 -13.8670 -13.6668 -13.6668 -13.6371 -13.6371 6.8732 6.8732 7.5490 7.5490 10.7701 10.7701 10.7711 10.7711 11.9077 11.9077 12.9278 12.9278 14.6396 14.6396 14.6419 14.6419 17.5092 17.5094 k = 0.5000 0.5000 0.2893 ( 1864 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5325 -15.5325 -15.5135 -15.5135 -13.9069 -13.9069 -13.8701 -13.8701 -13.6655 -13.6655 -13.6404 -13.6404 6.9259 6.9259 7.4912 7.4912 10.8040 10.8040 10.8048 10.8048 11.9814 11.9814 12.8325 12.8325 14.5766 14.5766 14.5785 14.5785 17.5097 17.5097 k = 0.5000 0.5000 0.2996 ( 1864 PWs) bands (ev): -36.1092 -36.1092 -36.1092 -36.1092 -15.5304 -15.5304 -15.5152 -15.5152 -13.9031 -13.9031 -13.8734 -13.8734 -13.6639 -13.6639 -13.6436 -13.6436 6.9796 6.9796 7.4331 7.4331 10.8329 10.8329 10.8336 10.8336 12.0572 12.0572 12.7388 12.7388 14.5237 14.5237 14.5253 14.5253 17.5101 17.5103 k = 0.5000 0.5000 0.3100 ( 1848 PWs) bands (ev): -36.1091 -36.1091 -36.1091 -36.1091 -15.5283 -15.5283 -15.5168 -15.5168 -13.8993 -13.8993 -13.8768 -13.8768 -13.6621 -13.6621 -13.6467 -13.6467 7.0342 7.0342 7.3753 7.3753 10.8562 10.8562 10.8568 10.8568 12.1353 12.1353 12.6469 12.6469 14.4818 14.4818 14.4830 14.4830 17.5105 17.5106 k = 0.5000 0.5000 0.3203 ( 1848 PWs) bands (ev): -36.1091 -36.1091 -36.1091 -36.1091 -15.5263 -15.5263 -15.5186 -15.5186 -13.8954 -13.8954 -13.8804 -13.8804 -13.6600 -13.6600 -13.6497 -13.6497 7.0897 7.0897 7.3174 7.3174 10.8733 10.8733 10.8737 10.8737 12.2155 12.2155 12.5567 12.5567 14.4515 14.4515 14.4523 14.4523 17.5107 17.5108 k = 0.5000 0.5000 0.3306 ( 1848 PWs) bands (ev): -36.1091 -36.1091 -36.1091 -36.1091 -15.5243 -15.5243 -15.5204 -15.5204 -13.8916 -13.8916 -13.8840 -13.8840 -13.6577 -13.6577 -13.6526 -13.6526 7.1458 7.1458 7.2598 7.2598 10.8838 10.8838 10.8840 10.8840 12.2978 12.2978 12.4685 12.4685 14.4331 14.4331 14.4335 14.4335 17.5109 17.5109 k = 0.5000 0.5000 0.3410 ( 1848 PWs) bands (ev): -36.1091 -36.1091 -36.1091 -36.1091 -15.5223 -15.5223 -15.5223 -15.5223 -13.8878 -13.8878 -13.8878 -13.8878 -13.6552 -13.6552 -13.6552 -13.6552 7.2025 7.2025 7.2025 7.2025 10.8874 10.8874 10.8874 10.8874 12.3821 12.3821 12.3821 12.3821 14.4271 14.4271 14.4271 14.4271 17.5110 17.5110 Writing output data file ZrH.save init_run : 4.06s CPU 13.36s WALL ( 1 calls) electrons : 250.30s CPU 254.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.58s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 250.28s CPU 254.72s WALL ( 1 calls) v_of_rho : 0.28s CPU 0.73s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.26s CPU 0.52s WALL ( 1 calls) newd : 0.31s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 436 calls) cegterg : 228.90s CPU 230.84s WALL ( 925 calls) Called by sum_band: Called by *egterg: h_psi : 93.69s CPU 100.10s WALL ( 15069 calls) s_psi : 9.78s CPU 10.59s WALL ( 15069 calls) g_psi : 0.16s CPU 0.26s WALL ( 13708 calls) cdiaghg : 94.43s CPU 91.61s WALL ( 14144 calls) cegterg:over : 20.62s CPU 17.68s WALL ( 13708 calls) cegterg:upda : 1.26s CPU 3.30s WALL ( 13708 calls) cegterg:last : 1.70s CPU 2.44s WALL ( 2233 calls) Called by h_psi: h_psi:vloc : 74.30s CPU 80.56s WALL ( 15069 calls) h_psi:vnl : 19.30s CPU 19.31s WALL ( 15069 calls) add_vuspsi : 4.47s CPU 7.65s WALL ( 15069 calls) General routines calbec : 14.80s CPU 11.55s WALL ( 15069 calls) fft : 0.47s CPU 1.52s WALL ( 19 calls) ffts : 0.01s CPU 0.08s WALL ( 4 calls) fftw : 71.67s CPU 77.21s WALL ( 959472 calls) interpolate : 0.21s CPU 0.30s WALL ( 4 calls) davcio : 0.01s CPU 1.22s WALL ( 872 calls) Parallel routines fft_scatter : 51.82s CPU 55.47s WALL ( 959495 calls) PWSCF : 4m46.91s CPU 5m42.81s WALL This run was terminated on: 23:24:10 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=