Program PWSCF v.5.1.1 starts on 31Jul2015 at 7:37: 5 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: ./LaBr3.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 64 18 2243 1654 250 Max 80 65 19 2246 1671 253 Sum 3805 3115 889 107683 79809 12081 bravais-lattice index = 14 lattice parameter (alat) = 15.0554 a.u. unit-cell volume = 1672.9899 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.055447 celldm(2)= 1.000000 celldm(3)= 0.566085 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.566085 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.766519 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential La 3.00 138.90550 La( 1.00) Br 7.00 79.90400 Br( 1.00) 6 Sym. Ops., with inversion, found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inversion 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 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group S_6 (-3) there are 12 classes and 6 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6 G_4+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6+ 1.00 -1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 -1.00 1.00 -1.00 1.00 G_4- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50 G_5- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50 G_6- 1.00 -1.00 -1.00 1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 1.00 -1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6 G_4+ 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5+ 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_4- 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 -0.87 0.87 0.87 -0.87 G_5- 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.87 -0.87 -0.87 0.87 G_6- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C3 2 C3^2 3 i 4 S6^5 5 S6 6 -E -1 -C3 -2 -C3^2 -3 -i -4 -S6^5 -5 -S6 -6 Cartesian axes number of k points= 242 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 2) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0041322 k( 3) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0041322 k( 4) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0041322 k( 5) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0041322 k( 6) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0041322 k( 7) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0041322 k( 8) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0041322 k( 9) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0041322 k( 10) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0041322 k( 11) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0041322 k( 12) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0041322 k( 13) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0041322 k( 14) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0041322 k( 15) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0041322 k( 16) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0041322 k( 17) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0041322 k( 18) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0041322 k( 19) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0041322 k( 20) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0041322 k( 21) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0041322 k( 22) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0041322 k( 23) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0041322 k( 24) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041322 k( 25) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041322 k( 26) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0041322 k( 27) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0041322 k( 28) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0041322 k( 29) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0041322 k( 30) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0041322 k( 31) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0041322 k( 32) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0041322 k( 33) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0041322 k( 34) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0041322 k( 35) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0041322 k( 36) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0041322 k( 37) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0041322 k( 38) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0041322 k( 39) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041322 k( 40) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041322 k( 41) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0041322 k( 42) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0041322 k( 43) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0041322 k( 44) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0041322 k( 45) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0041322 k( 46) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0041322 k( 47) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0041322 k( 48) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0041322 k( 49) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0041322 k( 50) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0041322 k( 51) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0041322 k( 52) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0041322 k( 53) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0041322 k( 54) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0041322 k( 55) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0041322 k( 56) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0041322 k( 57) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0041322 k( 58) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0041322 k( 59) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0041322 k( 60) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0041322 k( 61) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0041322 k( 62) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0041322 k( 63) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0041322 k( 64) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0041322 k( 65) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0041322 k( 66) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0041322 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 69) = ( 0.0000000 0.0000000 0.0252360), wk = 0.0041322 k( 70) = ( 0.0000000 0.0000000 0.0504720), wk = 0.0041322 k( 71) = ( 0.0000000 0.0000000 0.0757079), wk = 0.0041322 k( 72) = ( 0.0000000 0.0000000 0.1009439), wk = 0.0041322 k( 73) = ( 0.0000000 0.0000000 0.1261799), wk = 0.0041322 k( 74) = ( 0.0000000 0.0000000 0.1514159), wk = 0.0041322 k( 75) = ( 0.0000000 0.0000000 0.1766519), wk = 0.0041322 k( 76) = ( 0.0000000 0.0000000 0.2018879), wk = 0.0041322 k( 77) = ( 0.0000000 0.0000000 0.2271239), wk = 0.0041322 k( 78) = ( 0.0000000 0.0000000 0.2523598), wk = 0.0041322 k( 79) = ( 0.0000000 0.0000000 0.2775958), wk = 0.0041322 k( 80) = ( 0.0000000 0.0000000 0.3028318), wk = 0.0041322 k( 81) = ( 0.0000000 0.0000000 0.3280678), wk = 0.0041322 k( 82) = ( 0.0000000 0.0000000 0.3533038), wk = 0.0041322 k( 83) = ( 0.0000000 0.0000000 0.3785397), wk = 0.0041322 k( 84) = ( 0.0000000 0.0000000 0.4037757), wk = 0.0041322 k( 85) = ( 0.0000000 0.0000000 0.4290117), wk = 0.0041322 k( 86) = ( 0.0000000 0.0000000 0.4542477), wk = 0.0041322 k( 87) = ( 0.0000000 0.0000000 0.4794837), wk = 0.0041322 k( 88) = ( 0.0000000 0.0000000 0.5047197), wk = 0.0041322 k( 89) = ( 0.0000000 0.0000000 0.5299557), wk = 0.0041322 k( 90) = ( 0.0000000 0.0000000 0.5551916), wk = 0.0041322 k( 91) = ( 0.0000000 0.0000000 0.5804276), wk = 0.0041322 k( 92) = ( 0.0000000 0.0000000 0.6056636), wk = 0.0041322 k( 93) = ( 0.0000000 0.0000000 0.6308996), wk = 0.0041322 k( 94) = ( 0.0000000 0.0000000 0.6561356), wk = 0.0041322 k( 95) = ( 0.0000000 0.0000000 0.6813716), wk = 0.0041322 k( 96) = ( 0.0000000 0.0000000 0.7066075), wk = 0.0041322 k( 97) = ( 0.0000000 0.0000000 0.7318435), wk = 0.0041322 k( 98) = ( 0.0000000 0.0000000 0.7570795), wk = 0.0041322 k( 99) = ( 0.0000000 0.0000000 0.7823155), wk = 0.0041322 k( 100) = ( 0.0000000 0.0000000 0.8075515), wk = 0.0041322 k( 101) = ( 0.0000000 0.0000000 0.8327875), wk = 0.0041322 k( 102) = ( 0.0000000 0.0000000 0.8580234), wk = 0.0041322 k( 103) = ( 0.0000000 0.0000000 0.8832594), wk = 0.0041322 k( 104) = ( 0.0000000 0.0000000 0.8832594), wk = 0.0041322 k( 105) = ( 0.0217391 0.0125511 0.8832594), wk = 0.0041322 k( 106) = ( 0.0434783 0.0251022 0.8832594), wk = 0.0041322 k( 107) = ( 0.0652174 0.0376533 0.8832594), wk = 0.0041322 k( 108) = ( 0.0869565 0.0502044 0.8832594), wk = 0.0041322 k( 109) = ( 0.1086957 0.0627555 0.8832594), wk = 0.0041322 k( 110) = ( 0.1304348 0.0753066 0.8832594), wk = 0.0041322 k( 111) = ( 0.1521739 0.0878576 0.8832594), wk = 0.0041322 k( 112) = ( 0.1739130 0.1004087 0.8832594), wk = 0.0041322 k( 113) = ( 0.1956522 0.1129598 0.8832594), wk = 0.0041322 k( 114) = ( 0.2173913 0.1255109 0.8832594), wk = 0.0041322 k( 115) = ( 0.2391304 0.1380620 0.8832594), wk = 0.0041322 k( 116) = ( 0.2608696 0.1506131 0.8832594), wk = 0.0041322 k( 117) = ( 0.2826087 0.1631642 0.8832594), wk = 0.0041322 k( 118) = ( 0.3043478 0.1757153 0.8832594), wk = 0.0041322 k( 119) = ( 0.3260870 0.1882664 0.8832594), wk = 0.0041322 k( 120) = ( 0.3478261 0.2008175 0.8832594), wk = 0.0041322 k( 121) = ( 0.3695652 0.2133686 0.8832594), wk = 0.0041322 k( 122) = ( 0.3913044 0.2259197 0.8832594), wk = 0.0041322 k( 123) = ( 0.4130435 0.2384708 0.8832594), wk = 0.0041322 k( 124) = ( 0.4347826 0.2510219 0.8832594), wk = 0.0041322 k( 125) = ( 0.4565217 0.2635729 0.8832594), wk = 0.0041322 k( 126) = ( 0.4782609 0.2761240 0.8832594), wk = 0.0041322 k( 127) = ( 0.5000000 0.2886751 0.8832594), wk = 0.0041322 k( 128) = ( 0.5000000 0.2886751 0.8832594), wk = 0.0041322 k( 129) = ( 0.4880952 0.3092948 0.8832594), wk = 0.0041322 k( 130) = ( 0.4761905 0.3299144 0.8832594), wk = 0.0041322 k( 131) = ( 0.4642857 0.3505341 0.8832594), wk = 0.0041322 k( 132) = ( 0.4523810 0.3711537 0.8832594), wk = 0.0041322 k( 133) = ( 0.4404762 0.3917734 0.8832594), wk = 0.0041322 k( 134) = ( 0.4285714 0.4123930 0.8832594), wk = 0.0041322 k( 135) = ( 0.4166667 0.4330127 0.8832594), wk = 0.0041322 k( 136) = ( 0.4047619 0.4536324 0.8832594), wk = 0.0041322 k( 137) = ( 0.3928571 0.4742520 0.8832594), wk = 0.0041322 k( 138) = ( 0.3809524 0.4948717 0.8832594), wk = 0.0041322 k( 139) = ( 0.3690476 0.5154913 0.8832594), wk = 0.0041322 k( 140) = ( 0.3571429 0.5361110 0.8832594), wk = 0.0041322 k( 141) = ( 0.3452381 0.5567306 0.8832594), wk = 0.0041322 k( 142) = ( 0.3333333 0.5773503 0.8832594), wk = 0.0041322 k( 143) = ( 0.3333333 0.5773503 0.8832594), wk = 0.0041322 k( 144) = ( 0.3209877 0.5559669 0.8832594), wk = 0.0041322 k( 145) = ( 0.3086420 0.5345836 0.8832594), wk = 0.0041322 k( 146) = ( 0.2962963 0.5132002 0.8832594), wk = 0.0041322 k( 147) = ( 0.2839506 0.4918169 0.8832594), wk = 0.0041322 k( 148) = ( 0.2716049 0.4704336 0.8832594), wk = 0.0041322 k( 149) = ( 0.2592593 0.4490502 0.8832594), wk = 0.0041322 k( 150) = ( 0.2469136 0.4276669 0.8832594), wk = 0.0041322 k( 151) = ( 0.2345679 0.4062835 0.8832594), wk = 0.0041322 k( 152) = ( 0.2222222 0.3849002 0.8832594), wk = 0.0041322 k( 153) = ( 0.2098765 0.3635168 0.8832594), wk = 0.0041322 k( 154) = ( 0.1975309 0.3421335 0.8832594), wk = 0.0041322 k( 155) = ( 0.1851852 0.3207502 0.8832594), wk = 0.0041322 k( 156) = ( 0.1728395 0.2993668 0.8832594), wk = 0.0041322 k( 157) = ( 0.1604938 0.2779835 0.8832594), wk = 0.0041322 k( 158) = ( 0.1481482 0.2566001 0.8832594), wk = 0.0041322 k( 159) = ( 0.1358025 0.2352168 0.8832594), wk = 0.0041322 k( 160) = ( 0.1234568 0.2138334 0.8832594), wk = 0.0041322 k( 161) = ( 0.1111111 0.1924501 0.8832594), wk = 0.0041322 k( 162) = ( 0.0987654 0.1710667 0.8832594), wk = 0.0041322 k( 163) = ( 0.0864198 0.1496834 0.8832594), wk = 0.0041322 k( 164) = ( 0.0740741 0.1283001 0.8832594), wk = 0.0041322 k( 165) = ( 0.0617284 0.1069167 0.8832594), wk = 0.0041322 k( 166) = ( 0.0493827 0.0855334 0.8832594), wk = 0.0041322 k( 167) = ( 0.0370370 0.0641500 0.8832594), wk = 0.0041322 k( 168) = ( 0.0246914 0.0427667 0.8832594), wk = 0.0041322 k( 169) = ( 0.0123457 0.0213833 0.8832594), wk = 0.0041322 k( 170) = ( 0.0000000 0.0000000 0.8832594), wk = 0.0041322 k( 171) = ( 0.5000000 0.2886751 0.8832594), wk = 0.0041322 k( 172) = ( 0.5000000 0.2886751 0.8580234), wk = 0.0041322 k( 173) = ( 0.5000000 0.2886751 0.8327875), wk = 0.0041322 k( 174) = ( 0.5000000 0.2886751 0.8075515), wk = 0.0041322 k( 175) = ( 0.5000000 0.2886751 0.7823155), wk = 0.0041322 k( 176) = ( 0.5000000 0.2886751 0.7570795), wk = 0.0041322 k( 177) = ( 0.5000000 0.2886751 0.7318435), wk = 0.0041322 k( 178) = ( 0.5000000 0.2886751 0.7066075), wk = 0.0041322 k( 179) = ( 0.5000000 0.2886751 0.6813716), wk = 0.0041322 k( 180) = ( 0.5000000 0.2886751 0.6561356), wk = 0.0041322 k( 181) = ( 0.5000000 0.2886751 0.6308996), wk = 0.0041322 k( 182) = ( 0.5000000 0.2886751 0.6056636), wk = 0.0041322 k( 183) = ( 0.5000000 0.2886751 0.5804276), wk = 0.0041322 k( 184) = ( 0.5000000 0.2886751 0.5551916), wk = 0.0041322 k( 185) = ( 0.5000000 0.2886751 0.5299557), wk = 0.0041322 k( 186) = ( 0.5000000 0.2886751 0.5047197), wk = 0.0041322 k( 187) = ( 0.5000000 0.2886751 0.4794837), wk = 0.0041322 k( 188) = ( 0.5000000 0.2886751 0.4542477), wk = 0.0041322 k( 189) = ( 0.5000000 0.2886751 0.4290117), wk = 0.0041322 k( 190) = ( 0.5000000 0.2886751 0.4037757), wk = 0.0041322 k( 191) = ( 0.5000000 0.2886751 0.3785397), wk = 0.0041322 k( 192) = ( 0.5000000 0.2886751 0.3533038), wk = 0.0041322 k( 193) = ( 0.5000000 0.2886751 0.3280678), wk = 0.0041322 k( 194) = ( 0.5000000 0.2886751 0.3028318), wk = 0.0041322 k( 195) = ( 0.5000000 0.2886751 0.2775958), wk = 0.0041322 k( 196) = ( 0.5000000 0.2886751 0.2523598), wk = 0.0041322 k( 197) = ( 0.5000000 0.2886751 0.2271239), wk = 0.0041322 k( 198) = ( 0.5000000 0.2886751 0.2018879), wk = 0.0041322 k( 199) = ( 0.5000000 0.2886751 0.1766519), wk = 0.0041322 k( 200) = ( 0.5000000 0.2886751 0.1514159), wk = 0.0041322 k( 201) = ( 0.5000000 0.2886751 0.1261799), wk = 0.0041322 k( 202) = ( 0.5000000 0.2886751 0.1009439), wk = 0.0041322 k( 203) = ( 0.5000000 0.2886751 0.0757079), wk = 0.0041322 k( 204) = ( 0.5000000 0.2886751 0.0504720), wk = 0.0041322 k( 205) = ( 0.5000000 0.2886751 0.0252360), wk = 0.0041322 k( 206) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0041322 k( 207) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0041322 k( 208) = ( 0.3333333 0.5773503 0.0252360), wk = 0.0041322 k( 209) = ( 0.3333333 0.5773503 0.0504720), wk = 0.0041322 k( 210) = ( 0.3333333 0.5773503 0.0757079), wk = 0.0041322 k( 211) = ( 0.3333333 0.5773503 0.1009439), wk = 0.0041322 k( 212) = ( 0.3333333 0.5773503 0.1261799), wk = 0.0041322 k( 213) = ( 0.3333333 0.5773503 0.1514159), wk = 0.0041322 k( 214) = ( 0.3333333 0.5773503 0.1766519), wk = 0.0041322 k( 215) = ( 0.3333333 0.5773503 0.2018879), wk = 0.0041322 k( 216) = ( 0.3333333 0.5773503 0.2271239), wk = 0.0041322 k( 217) = ( 0.3333333 0.5773503 0.2523598), wk = 0.0041322 k( 218) = ( 0.3333333 0.5773503 0.2775958), wk = 0.0041322 k( 219) = ( 0.3333333 0.5773503 0.3028318), wk = 0.0041322 k( 220) = ( 0.3333333 0.5773503 0.3280678), wk = 0.0041322 k( 221) = ( 0.3333333 0.5773503 0.3533038), wk = 0.0041322 k( 222) = ( 0.3333333 0.5773503 0.3785397), wk = 0.0041322 k( 223) = ( 0.3333333 0.5773503 0.4037757), wk = 0.0041322 k( 224) = ( 0.3333333 0.5773503 0.4290117), wk = 0.0041322 k( 225) = ( 0.3333333 0.5773503 0.4542477), wk = 0.0041322 k( 226) = ( 0.3333333 0.5773503 0.4794837), wk = 0.0041322 k( 227) = ( 0.3333333 0.5773503 0.5047197), wk = 0.0041322 k( 228) = ( 0.3333333 0.5773503 0.5299557), wk = 0.0041322 k( 229) = ( 0.3333333 0.5773503 0.5551916), wk = 0.0041322 k( 230) = ( 0.3333333 0.5773503 0.5804276), wk = 0.0041322 k( 231) = ( 0.3333333 0.5773503 0.6056636), wk = 0.0041322 k( 232) = ( 0.3333333 0.5773503 0.6308996), wk = 0.0041322 k( 233) = ( 0.3333333 0.5773503 0.6561356), wk = 0.0041322 k( 234) = ( 0.3333333 0.5773503 0.6813716), wk = 0.0041322 k( 235) = ( 0.3333333 0.5773503 0.7066075), wk = 0.0041322 k( 236) = ( 0.3333333 0.5773503 0.7318435), wk = 0.0041322 k( 237) = ( 0.3333333 0.5773503 0.7570795), wk = 0.0041322 k( 238) = ( 0.3333333 0.5773503 0.7823155), wk = 0.0041322 k( 239) = ( 0.3333333 0.5773503 0.8075515), wk = 0.0041322 k( 240) = ( 0.3333333 0.5773503 0.8327875), wk = 0.0041322 k( 241) = ( 0.3333333 0.5773503 0.8580234), wk = 0.0041322 k( 242) = ( 0.3333333 0.5773503 0.8832594), wk = 0.0041322 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 2) = ( 0.0217391 -0.0000000 0.0000000), wk = 0.0041322 k( 3) = ( 0.0434783 -0.0000000 0.0000000), wk = 0.0041322 k( 4) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0041322 k( 5) = ( 0.0869565 -0.0000000 0.0000000), wk = 0.0041322 k( 6) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0041322 k( 7) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0041322 k( 8) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0041322 k( 9) = ( 0.1739130 -0.0000000 0.0000000), wk = 0.0041322 k( 10) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0041322 k( 11) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0041322 k( 12) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0041322 k( 13) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0041322 k( 14) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0041322 k( 15) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0041322 k( 16) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0041322 k( 17) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0041322 k( 18) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0041322 k( 19) = ( 0.3913044 -0.0000000 0.0000000), wk = 0.0041322 k( 20) = ( 0.4130435 -0.0000000 0.0000000), wk = 0.0041322 k( 21) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0041322 k( 22) = ( 0.4565217 -0.0000000 0.0000000), wk = 0.0041322 k( 23) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0041322 k( 24) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041322 k( 25) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041322 k( 26) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0041322 k( 27) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0041322 k( 28) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0041322 k( 29) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0041322 k( 30) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0041322 k( 31) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0041322 k( 32) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0041322 k( 33) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0041322 k( 34) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0041322 k( 35) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0041322 k( 36) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0041322 k( 37) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0041322 k( 38) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0041322 k( 39) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0041322 k( 40) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0041322 k( 41) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0041322 k( 42) = ( 0.3086420 0.3086420 0.0000000), wk = 0.0041322 k( 43) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0041322 k( 44) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0041322 k( 45) = ( 0.2716049 0.2716049 0.0000000), wk = 0.0041322 k( 46) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0041322 k( 47) = ( 0.2469136 0.2469136 0.0000000), wk = 0.0041322 k( 48) = ( 0.2345679 0.2345679 0.0000000), wk = 0.0041322 k( 49) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0041322 k( 50) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0041322 k( 51) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0041322 k( 52) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0041322 k( 53) = ( 0.1728395 0.1728395 -0.0000000), wk = 0.0041322 k( 54) = ( 0.1604938 0.1604938 -0.0000000), wk = 0.0041322 k( 55) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0041322 k( 56) = ( 0.1358025 0.1358025 0.0000000), wk = 0.0041322 k( 57) = ( 0.1234568 0.1234568 0.0000000), wk = 0.0041322 k( 58) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0041322 k( 59) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0041322 k( 60) = ( 0.0864198 0.0864198 0.0000000), wk = 0.0041322 k( 61) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0041322 k( 62) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0041322 k( 63) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0041322 k( 64) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0041322 k( 65) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0041322 k( 66) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0041322 k( 67) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 68) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041322 k( 69) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0041322 k( 70) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0041322 k( 71) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0041322 k( 72) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0041322 k( 73) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0041322 k( 74) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0041322 k( 75) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0041322 k( 76) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0041322 k( 77) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0041322 k( 78) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0041322 k( 79) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0041322 k( 80) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0041322 k( 81) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0041322 k( 82) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0041322 k( 83) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0041322 k( 84) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0041322 k( 85) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0041322 k( 86) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0041322 k( 87) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0041322 k( 88) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0041322 k( 89) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0041322 k( 90) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0041322 k( 91) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0041322 k( 92) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0041322 k( 93) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0041322 k( 94) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0041322 k( 95) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0041322 k( 96) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0041322 k( 97) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0041322 k( 98) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0041322 k( 99) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0041322 k( 100) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0041322 k( 101) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0041322 k( 102) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0041322 k( 103) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041322 k( 104) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041322 k( 105) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0041322 k( 106) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0041322 k( 107) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0041322 k( 108) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0041322 k( 109) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0041322 k( 110) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0041322 k( 111) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0041322 k( 112) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0041322 k( 113) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0041322 k( 114) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0041322 k( 115) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0041322 k( 116) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0041322 k( 117) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0041322 k( 118) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0041322 k( 119) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0041322 k( 120) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0041322 k( 121) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0041322 k( 122) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0041322 k( 123) = ( 0.4130435 -0.0000000 0.5000000), wk = 0.0041322 k( 124) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0041322 k( 125) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0041322 k( 126) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0041322 k( 127) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041322 k( 128) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041322 k( 129) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0041322 k( 130) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0041322 k( 131) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0041322 k( 132) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0041322 k( 133) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0041322 k( 134) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0041322 k( 135) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0041322 k( 136) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0041322 k( 137) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0041322 k( 138) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0041322 k( 139) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0041322 k( 140) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0041322 k( 141) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0041322 k( 142) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041322 k( 143) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041322 k( 144) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0041322 k( 145) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0041322 k( 146) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0041322 k( 147) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0041322 k( 148) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0041322 k( 149) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0041322 k( 150) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0041322 k( 151) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0041322 k( 152) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0041322 k( 153) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0041322 k( 154) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0041322 k( 155) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0041322 k( 156) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0041322 k( 157) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0041322 k( 158) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0041322 k( 159) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0041322 k( 160) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0041322 k( 161) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0041322 k( 162) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0041322 k( 163) = ( 0.0864198 0.0864198 0.5000000), wk = 0.0041322 k( 164) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0041322 k( 165) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0041322 k( 166) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0041322 k( 167) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0041322 k( 168) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0041322 k( 169) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0041322 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041322 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041322 k( 172) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0041322 k( 173) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0041322 k( 174) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0041322 k( 175) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0041322 k( 176) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0041322 k( 177) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0041322 k( 178) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0041322 k( 179) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0041322 k( 180) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0041322 k( 181) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0041322 k( 182) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0041322 k( 183) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0041322 k( 184) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0041322 k( 185) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0041322 k( 186) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0041322 k( 187) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0041322 k( 188) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0041322 k( 189) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0041322 k( 190) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0041322 k( 191) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0041322 k( 192) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0041322 k( 193) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0041322 k( 194) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0041322 k( 195) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0041322 k( 196) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0041322 k( 197) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0041322 k( 198) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0041322 k( 199) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0041322 k( 200) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0041322 k( 201) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0041322 k( 202) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0041322 k( 203) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0041322 k( 204) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0041322 k( 205) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0041322 k( 206) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041322 k( 207) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0041322 k( 208) = ( 0.3333333 0.3333333 0.0142857), wk = 0.0041322 k( 209) = ( 0.3333333 0.3333333 0.0285714), wk = 0.0041322 k( 210) = ( 0.3333333 0.3333333 0.0428571), wk = 0.0041322 k( 211) = ( 0.3333333 0.3333333 0.0571429), wk = 0.0041322 k( 212) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0041322 k( 213) = ( 0.3333333 0.3333333 0.0857143), wk = 0.0041322 k( 214) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0041322 k( 215) = ( 0.3333333 0.3333333 0.1142857), wk = 0.0041322 k( 216) = ( 0.3333333 0.3333333 0.1285714), wk = 0.0041322 k( 217) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0041322 k( 218) = ( 0.3333333 0.3333333 0.1571429), wk = 0.0041322 k( 219) = ( 0.3333333 0.3333333 0.1714286), wk = 0.0041322 k( 220) = ( 0.3333333 0.3333333 0.1857143), wk = 0.0041322 k( 221) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0041322 k( 222) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0041322 k( 223) = ( 0.3333333 0.3333333 0.2285714), wk = 0.0041322 k( 224) = ( 0.3333333 0.3333333 0.2428571), wk = 0.0041322 k( 225) = ( 0.3333333 0.3333333 0.2571429), wk = 0.0041322 k( 226) = ( 0.3333333 0.3333333 0.2714286), wk = 0.0041322 k( 227) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0041322 k( 228) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0041322 k( 229) = ( 0.3333333 0.3333333 0.3142857), wk = 0.0041322 k( 230) = ( 0.3333333 0.3333333 0.3285714), wk = 0.0041322 k( 231) = ( 0.3333333 0.3333333 0.3428571), wk = 0.0041322 k( 232) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0041322 k( 233) = ( 0.3333333 0.3333333 0.3714286), wk = 0.0041322 k( 234) = ( 0.3333333 0.3333333 0.3857143), wk = 0.0041322 k( 235) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0041322 k( 236) = ( 0.3333333 0.3333333 0.4142857), wk = 0.0041322 k( 237) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0041322 k( 238) = ( 0.3333333 0.3333333 0.4428571), wk = 0.0041322 k( 239) = ( 0.3333333 0.3333333 0.4571429), wk = 0.0041322 k( 240) = ( 0.3333333 0.3333333 0.4714286), wk = 0.0041322 k( 241) = ( 0.3333333 0.3333333 0.4857143), wk = 0.0041322 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0041322 Dense grid: 107683 G-vectors FFT dimensions: ( 75, 75, 45) Smooth grid: 79809 G-vectors FFT dimensions: ( 72, 72, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 416, 58) NL pseudopotentials 0.46 Mb ( 208, 144) Each V/rho on FFT grid 0.09 Mb ( 5625) Each G-vector array 0.02 Mb ( 2246) G-vector shells 0.01 Mb ( 1075) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 416, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 144, 2, 58) The potential is recalculated from file : ./LaBr3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.9 secs Computing kpt #: 2 total cpu time spent up to now is 48.8 secs Computing kpt #: 3 total cpu time spent up to now is 53.8 secs Computing kpt #: 4 total cpu time spent up to now is 58.7 secs Computing kpt #: 5 total cpu time spent up to now is 63.6 secs Computing kpt #: 6 total cpu time spent up to now is 68.5 secs Computing kpt #: 7 total cpu time spent up to now is 73.6 secs Computing kpt #: 8 total cpu time spent up to now is 79.2 secs Computing kpt #: 9 total cpu time spent up to now is 84.7 secs Computing kpt #: 10 total cpu time spent up to now is 89.7 secs Computing kpt #: 11 total cpu time spent up to now is 95.2 secs Computing kpt #: 12 total cpu time spent up to now is 100.1 secs Computing kpt #: 13 total cpu time spent up to now is 105.3 secs Computing kpt #: 14 total cpu time spent up to now is 110.4 secs Computing kpt #: 15 total cpu time spent up to now is 115.5 secs Computing kpt #: 16 total cpu time spent up to now is 120.6 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.9 secs Computing kpt #: 18 total cpu time spent up to now is 134.0 secs Computing kpt #: 19 total cpu time spent up to now is 141.2 secs Computing kpt #: 20 total cpu time spent up to now is 148.1 secs Computing kpt #: 21 total cpu time spent up to now is 155.3 secs Computing kpt #: 22 total cpu time spent up to now is 160.4 secs Computing kpt #: 23 total cpu time spent up to now is 165.5 secs Computing kpt #: 24 total cpu time spent up to now is 172.0 secs Computing kpt #: 25 total cpu time spent up to now is 177.0 secs Computing kpt #: 26 total cpu time spent up to now is 183.3 secs Computing kpt #: 27 total cpu time spent up to now is 188.9 secs Computing kpt #: 28 total cpu time spent up to now is 194.1 secs Computing kpt #: 29 total cpu time spent up to now is 199.0 secs Computing kpt #: 30 total cpu time spent up to now is 203.8 secs Computing kpt #: 31 total cpu time spent up to now is 208.8 secs Computing kpt #: 32 total cpu time spent up to now is 213.8 secs Computing kpt #: 33 total cpu time spent up to now is 218.5 secs Computing kpt #: 34 total cpu time spent up to now is 223.2 secs Computing kpt #: 35 total cpu time spent up to now is 227.9 secs Computing kpt #: 36 total cpu time spent up to now is 232.8 secs Computing kpt #: 37 total cpu time spent up to now is 237.6 secs Computing kpt #: 38 total cpu time spent up to now is 242.7 secs Computing kpt #: 39 total cpu time spent up to now is 247.8 secs Computing kpt #: 40 total cpu time spent up to now is 254.6 secs Computing kpt #: 41 total cpu time spent up to now is 261.2 secs Computing kpt #: 42 total cpu time spent up to now is 266.7 secs Computing kpt #: 43 total cpu time spent up to now is 271.8 secs Computing kpt #: 44 total cpu time spent up to now is 276.8 secs Computing kpt #: 45 total cpu time spent up to now is 282.2 secs Computing kpt #: 46 total cpu time spent up to now is 287.1 secs Computing kpt #: 47 total cpu time spent up to now is 292.1 secs Computing kpt #: 48 total cpu time spent up to now is 297.0 secs Computing kpt #: 49 total cpu time spent up to now is 301.9 secs Computing kpt #: 50 total cpu time spent up to now is 306.7 secs Computing kpt #: 51 total cpu time spent up to now is 311.7 secs Computing kpt #: 52 total cpu time spent up to now is 316.6 secs Computing kpt #: 53 total cpu time spent up to now is 321.9 secs Computing kpt #: 54 total cpu time spent up to now is 327.1 secs Computing kpt #: 55 total cpu time spent up to now is 332.1 secs Computing kpt #: 56 total cpu time spent up to now is 337.2 secs Computing kpt #: 57 total cpu time spent up to now is 342.3 secs Computing kpt #: 58 total cpu time spent up to now is 347.9 secs Computing kpt #: 59 total cpu time spent up to now is 353.0 secs Computing kpt #: 60 total cpu time spent up to now is 358.3 secs Computing kpt #: 61 total cpu time spent up to now is 363.3 secs Computing kpt #: 62 total cpu time spent up to now is 368.3 secs Computing kpt #: 63 total cpu time spent up to now is 373.3 secs Computing kpt #: 64 total cpu time spent up to now is 378.3 secs Computing kpt #: 65 total cpu time spent up to now is 383.3 secs Computing kpt #: 66 total cpu time spent up to now is 388.3 secs Computing kpt #: 67 total cpu time spent up to now is 393.2 secs Computing kpt #: 68 total cpu time spent up to now is 398.0 secs Computing kpt #: 69 total cpu time spent up to now is 402.9 secs Computing kpt #: 70 total cpu time spent up to now is 407.8 secs Computing kpt #: 71 total cpu time spent up to now is 412.7 secs Computing kpt #: 72 total cpu time spent up to now is 417.5 secs Computing kpt #: 73 total cpu time spent up to now is 422.5 secs Computing kpt #: 74 total cpu time spent up to now is 427.3 secs Computing kpt #: 75 total cpu time spent up to now is 432.0 secs Computing kpt #: 76 total cpu time spent up to now is 436.7 secs Computing kpt #: 77 total cpu time spent up to now is 441.2 secs Computing kpt #: 78 total cpu time spent up to now is 445.9 secs Computing kpt #: 79 total cpu time spent up to now is 450.4 secs Computing kpt #: 80 total cpu time spent up to now is 455.2 secs Computing kpt #: 81 total cpu time spent up to now is 460.1 secs Computing kpt #: 82 total cpu time spent up to now is 464.9 secs Computing kpt #: 83 total cpu time spent up to now is 469.8 secs Computing kpt #: 84 total cpu time spent up to now is 474.7 secs Computing kpt #: 85 total cpu time spent up to now is 479.9 secs Computing kpt #: 86 total cpu time spent up to now is 485.0 secs Computing kpt #: 87 total cpu time spent up to now is 490.7 secs Computing kpt #: 88 total cpu time spent up to now is 496.3 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.0 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 511.4 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 518.9 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 526.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 534.1 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 541.7 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.1 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 556.6 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 564.1 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 571.4 secs Computing kpt #: 99 total cpu time spent up to now is 578.3 secs Computing kpt #: 100 total cpu time spent up to now is 585.4 secs Computing kpt #: 101 total cpu time spent up to now is 591.1 secs Computing kpt #: 102 total cpu time spent up to now is 596.9 secs Computing kpt #: 103 total cpu time spent up to now is 602.4 secs Computing kpt #: 104 total cpu time spent up to now is 608.1 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 616.1 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.9 secs Computing kpt #: 107 total cpu time spent up to now is 631.4 secs Computing kpt #: 108 total cpu time spent up to now is 639.1 secs Computing kpt #: 109 total cpu time spent up to now is 646.6 secs Computing kpt #: 110 total cpu time spent up to now is 653.1 secs Computing kpt #: 111 total cpu time spent up to now is 659.3 secs Computing kpt #: 112 total cpu time spent up to now is 666.6 secs Computing kpt #: 113 total cpu time spent up to now is 672.8 secs Computing kpt #: 114 total cpu time spent up to now is 678.8 secs Computing kpt #: 115 total cpu time spent up to now is 684.8 secs Computing kpt #: 116 total cpu time spent up to now is 691.0 secs Computing kpt #: 117 total cpu time spent up to now is 697.3 secs Computing kpt #: 118 total cpu time spent up to now is 703.7 secs Computing kpt #: 119 total cpu time spent up to now is 710.0 secs Computing kpt #: 120 total cpu time spent up to now is 716.6 secs Computing kpt #: 121 total cpu time spent up to now is 722.8 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 730.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 738.1 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 745.8 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 753.5 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 761.2 secs Computing kpt #: 127 total cpu time spent up to now is 766.9 secs Computing kpt #: 128 total cpu time spent up to now is 772.9 secs Computing kpt #: 129 total cpu time spent up to now is 779.3 secs Computing kpt #: 130 total cpu time spent up to now is 785.7 secs Computing kpt #: 131 total cpu time spent up to now is 791.3 secs Computing kpt #: 132 total cpu time spent up to now is 796.2 secs Computing kpt #: 133 total cpu time spent up to now is 801.1 secs Computing kpt #: 134 total cpu time spent up to now is 806.9 secs Computing kpt #: 135 total cpu time spent up to now is 812.1 secs Computing kpt #: 136 total cpu time spent up to now is 817.3 secs Computing kpt #: 137 total cpu time spent up to now is 822.6 secs Computing kpt #: 138 total cpu time spent up to now is 827.6 secs Computing kpt #: 139 total cpu time spent up to now is 832.9 secs Computing kpt #: 140 total cpu time spent up to now is 838.1 secs Computing kpt #: 141 total cpu time spent up to now is 843.1 secs Computing kpt #: 142 total cpu time spent up to now is 847.9 secs Computing kpt #: 143 total cpu time spent up to now is 852.5 secs Computing kpt #: 144 total cpu time spent up to now is 857.3 secs Computing kpt #: 145 total cpu time spent up to now is 862.1 secs Computing kpt #: 146 total cpu time spent up to now is 867.2 secs Computing kpt #: 147 total cpu time spent up to now is 872.7 secs Computing kpt #: 148 total cpu time spent up to now is 878.0 secs Computing kpt #: 149 total cpu time spent up to now is 883.4 secs Computing kpt #: 150 total cpu time spent up to now is 889.2 secs Computing kpt #: 151 total cpu time spent up to now is 895.0 secs Computing kpt #: 152 total cpu time spent up to now is 900.9 secs Computing kpt #: 153 total cpu time spent up to now is 906.6 secs Computing kpt #: 154 total cpu time spent up to now is 912.4 secs Computing kpt #: 155 total cpu time spent up to now is 918.2 secs Computing kpt #: 156 total cpu time spent up to now is 924.1 secs Computing kpt #: 157 total cpu time spent up to now is 930.0 secs Computing kpt #: 158 total cpu time spent up to now is 935.6 secs Computing kpt #: 159 total cpu time spent up to now is 941.4 secs Computing kpt #: 160 total cpu time spent up to now is 947.4 secs Computing kpt #: 161 total cpu time spent up to now is 953.4 secs Computing kpt #: 162 total cpu time spent up to now is 959.3 secs Computing kpt #: 163 total cpu time spent up to now is 965.6 secs Computing kpt #: 164 total cpu time spent up to now is 971.7 secs Computing kpt #: 165 total cpu time spent up to now is 978.1 secs Computing kpt #: 166 total cpu time spent up to now is 985.4 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 993.2 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.9 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1008.6 secs Computing kpt #: 170 total cpu time spent up to now is 1014.3 secs Computing kpt #: 171 total cpu time spent up to now is 1019.3 secs Computing kpt #: 172 total cpu time spent up to now is 1025.3 secs Computing kpt #: 173 total cpu time spent up to now is 1030.1 secs Computing kpt #: 174 total cpu time spent up to now is 1035.5 secs Computing kpt #: 175 total cpu time spent up to now is 1040.8 secs Computing kpt #: 176 total cpu time spent up to now is 1046.2 secs Computing kpt #: 177 total cpu time spent up to now is 1051.8 secs Computing kpt #: 178 total cpu time spent up to now is 1057.5 secs Computing kpt #: 179 total cpu time spent up to now is 1063.2 secs Computing kpt #: 180 total cpu time spent up to now is 1068.9 secs Computing kpt #: 181 total cpu time spent up to now is 1074.5 secs Computing kpt #: 182 total cpu time spent up to now is 1080.2 secs Computing kpt #: 183 total cpu time spent up to now is 1085.3 secs Computing kpt #: 184 total cpu time spent up to now is 1090.3 secs Computing kpt #: 185 total cpu time spent up to now is 1095.6 secs Computing kpt #: 186 total cpu time spent up to now is 1100.8 secs Computing kpt #: 187 total cpu time spent up to now is 1106.3 secs Computing kpt #: 188 total cpu time spent up to now is 1112.0 secs Computing kpt #: 189 total cpu time spent up to now is 1118.2 secs Computing kpt #: 190 total cpu time spent up to now is 1125.3 secs Computing kpt #: 191 total cpu time spent up to now is 1132.3 secs Computing kpt #: 192 total cpu time spent up to now is 1138.7 secs Computing kpt #: 193 total cpu time spent up to now is 1144.8 secs Computing kpt #: 194 total cpu time spent up to now is 1150.8 secs Computing kpt #: 195 total cpu time spent up to now is 1156.5 secs Computing kpt #: 196 total cpu time spent up to now is 1162.0 secs Computing kpt #: 197 total cpu time spent up to now is 1167.8 secs Computing kpt #: 198 total cpu time spent up to now is 1173.1 secs Computing kpt #: 199 total cpu time spent up to now is 1179.6 secs Computing kpt #: 200 total cpu time spent up to now is 1186.6 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1194.2 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1201.6 secs Computing kpt #: 203 total cpu time spent up to now is 1209.1 secs Computing kpt #: 204 total cpu time spent up to now is 1216.3 secs Computing kpt #: 205 total cpu time spent up to now is 1221.1 secs Computing kpt #: 206 total cpu time spent up to now is 1227.6 secs Computing kpt #: 207 total cpu time spent up to now is 1233.1 secs Computing kpt #: 208 total cpu time spent up to now is 1238.5 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1245.7 secs Computing kpt #: 210 total cpu time spent up to now is 1252.1 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1259.6 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1267.0 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1274.4 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1281.9 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1289.3 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1297.1 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1304.9 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1312.5 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1319.9 secs Computing kpt #: 220 total cpu time spent up to now is 1325.9 secs Computing kpt #: 221 total cpu time spent up to now is 1331.7 secs Computing kpt #: 222 total cpu time spent up to now is 1337.4 secs Computing kpt #: 223 total cpu time spent up to now is 1343.0 secs Computing kpt #: 224 total cpu time spent up to now is 1348.8 secs Computing kpt #: 225 total cpu time spent up to now is 1354.4 secs Computing kpt #: 226 total cpu time spent up to now is 1359.7 secs Computing kpt #: 227 total cpu time spent up to now is 1364.9 secs Computing kpt #: 228 total cpu time spent up to now is 1370.6 secs Computing kpt #: 229 total cpu time spent up to now is 1376.3 secs Computing kpt #: 230 total cpu time spent up to now is 1382.0 secs Computing kpt #: 231 total cpu time spent up to now is 1387.9 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1395.5 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1403.2 secs Computing kpt #: 234 total cpu time spent up to now is 1409.5 secs Computing kpt #: 235 total cpu time spent up to now is 1415.1 secs Computing kpt #: 236 total cpu time spent up to now is 1420.6 secs Computing kpt #: 237 total cpu time spent up to now is 1426.1 secs Computing kpt #: 238 total cpu time spent up to now is 1431.1 secs Computing kpt #: 239 total cpu time spent up to now is 1435.9 secs Computing kpt #: 240 total cpu time spent up to now is 1441.0 secs Computing kpt #: 241 total cpu time spent up to now is 1445.9 secs Computing kpt #: 242 total cpu time spent up to now is 1450.7 secs ethr = 2.08E-11, avg # of iterations = 71.1 total cpu time spent up to now is 1450.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9991 PWs) bands (ev): -11.0088 -11.0088 -10.3577 -10.3577 -10.3505 -10.3505 -10.2674 -10.2674 -10.2484 -10.2484 -10.0735 -10.0735 -0.3311 -0.3311 -0.0277 -0.0277 0.2542 0.2542 0.3664 0.3664 0.8180 0.8180 1.0040 1.0040 1.0803 1.0803 1.0902 1.0902 1.2896 1.2896 1.4050 1.4050 1.4436 1.4436 1.6359 1.6359 1.9452 1.9452 2.0060 2.0060 2.2847 2.2847 2.4525 2.4525 3.0382 3.0382 3.0631 3.0631 6.2520 6.2520 6.4968 6.4968 6.6525 6.6525 7.2628 7.2628 7.3403 7.3403 k = 0.0217 0.0126-0.0000 ( 10003 PWs) bands (ev): -11.0082 -11.0082 -10.3586 -10.3586 -10.3517 -10.3517 -10.2667 -10.2667 -10.2480 -10.2480 -10.0731 -10.0731 -0.3310 -0.3310 -0.0270 -0.0270 0.2543 0.2543 0.3662 0.3662 0.8171 0.8171 0.9969 0.9969 1.0852 1.0852 1.0859 1.0859 1.2959 1.2959 1.3998 1.3998 1.4429 1.4429 1.6465 1.6465 1.9428 1.9428 2.0033 2.0033 2.2898 2.2898 2.4512 2.4512 3.0362 3.0362 3.0616 3.0616 6.2533 6.2533 6.4972 6.4972 6.6527 6.6527 7.2631 7.2631 7.3406 7.3406 k = 0.0435 0.0251-0.0000 ( 9997 PWs) bands (ev): -11.0065 -11.0065 -10.3613 -10.3613 -10.3552 -10.3552 -10.2648 -10.2648 -10.2468 -10.2468 -10.0720 -10.0720 -0.3306 -0.3306 -0.0250 -0.0250 0.2545 0.2545 0.3657 0.3657 0.8144 0.8144 0.9802 0.9802 1.0722 1.0722 1.0981 1.0981 1.3130 1.3130 1.3838 1.3838 1.4458 1.4458 1.6741 1.6741 1.9348 1.9348 1.9970 1.9970 2.3041 2.3041 2.4473 2.4473 3.0299 3.0299 3.0576 3.0576 6.2572 6.2572 6.4983 6.4983 6.6532 6.6532 7.2637 7.2637 7.3415 7.3415 k = 0.0652 0.0377-0.0000 ( 9985 PWs) bands (ev): -11.0036 -11.0036 -10.3660 -10.3660 -10.3601 -10.3601 -10.2625 -10.2625 -10.2443 -10.2443 -10.0702 -10.0702 -0.3299 -0.3299 -0.0217 -0.0217 0.2548 0.2548 0.3650 0.3650 0.8099 0.8099 0.9595 0.9595 1.0542 1.0542 1.1107 1.1107 1.3376 1.3376 1.3615 1.3615 1.4551 1.4551 1.7115 1.7115 1.9200 1.9200 1.9908 1.9908 2.3253 2.3253 2.4408 2.4408 3.0187 3.0187 3.0519 3.0519 6.2637 6.2637 6.5002 6.5002 6.6542 6.6542 7.2641 7.2641 7.3434 7.3434 k = 0.0870 0.0502-0.0000 ( 9999 PWs) bands (ev): -10.9996 -10.9996 -10.3733 -10.3733 -10.3655 -10.3655 -10.2606 -10.2606 -10.2401 -10.2401 -10.0680 -10.0680 -0.3290 -0.3290 -0.0174 -0.0174 0.2550 0.2550 0.3644 0.3644 0.8035 0.8035 0.9373 0.9373 1.0340 1.0340 1.1201 1.1201 1.3394 1.3394 1.3667 1.3667 1.4701 1.4701 1.7536 1.7536 1.8989 1.8989 1.9870 1.9870 2.3509 2.3509 2.4317 2.4317 3.0023 3.0023 3.0451 3.0451 6.2726 6.2726 6.5028 6.5028 6.6557 6.6557 7.2632 7.2632 7.3469 7.3469 k = 0.1087 0.0628-0.0000 ( 10003 PWs) bands (ev): -10.9945 -10.9945 -10.3831 -10.3831 -10.3710 -10.3710 -10.2594 -10.2594 -10.2342 -10.2342 -10.0654 -10.0654 -0.3277 -0.3277 -0.0125 -0.0125 0.2549 0.2549 0.3644 0.3644 0.7952 0.7952 0.9149 0.9149 1.0134 1.0134 1.1240 1.1240 1.3222 1.3222 1.3981 1.3981 1.4900 1.4900 1.7965 1.7965 1.8741 1.8741 1.9862 1.9862 2.3785 2.3785 2.4207 2.4207 2.9811 2.9811 3.0374 3.0374 6.2837 6.2837 6.5059 6.5059 6.6581 6.6581 7.2599 7.2599 7.3526 7.3526 k = 0.1304 0.0753-0.0000 ( 10003 PWs) bands (ev): -10.9882 -10.9882 -10.3947 -10.3947 -10.3766 -10.3766 -10.2588 -10.2588 -10.2272 -10.2272 -10.0626 -10.0626 -0.3260 -0.3260 -0.0073 -0.0073 0.2543 0.2543 0.3654 0.3654 0.7853 0.7853 0.8930 0.8930 0.9933 0.9933 1.1210 1.1210 1.3124 1.3124 1.4305 1.4305 1.5143 1.5143 1.8281 1.8281 1.8567 1.8567 1.9892 1.9892 2.3966 2.3966 2.4179 2.4179 2.9556 2.9556 3.0287 3.0287 6.2969 6.2969 6.5094 6.5094 6.6616 6.6616 7.2533 7.2533 7.3606 7.3606 k = 0.1522 0.0879-0.0000 ( 10007 PWs) bands (ev): -10.9809 -10.9809 -10.4080 -10.4080 -10.3824 -10.3824 -10.2586 -10.2586 -10.2192 -10.2192 -10.0597 -10.0597 -0.3239 -0.3239 -0.0023 -0.0023 0.2531 0.2531 0.3680 0.3680 0.7739 0.7739 0.8719 0.8719 0.9741 0.9741 1.1118 1.1118 1.3102 1.3102 1.4626 1.4626 1.5429 1.5429 1.8099 1.8099 1.8829 1.8829 1.9986 1.9986 2.3838 2.3838 2.4438 2.4438 2.9265 2.9265 3.0189 3.0189 6.3119 6.3119 6.5132 6.5132 6.6664 6.6664 7.2431 7.2431 7.3697 7.3697 k = 0.1739 0.1004-0.0000 ( 10023 PWs) bands (ev): -10.9725 -10.9725 -10.4227 -10.4227 -10.3881 -10.3881 -10.2585 -10.2585 -10.2108 -10.2108 -10.0569 -10.0569 -0.3213 -0.3213 0.0019 0.0019 0.2512 0.2512 0.3725 0.3725 0.7613 0.7613 0.8520 0.8520 0.9560 0.9560 1.0986 1.0986 1.3138 1.3138 1.4936 1.4936 1.5749 1.5749 1.7818 1.7818 1.9089 1.9089 2.0185 2.0185 2.3641 2.3641 2.4739 2.4739 2.8946 2.8946 3.0081 3.0081 6.3284 6.3284 6.5170 6.5170 6.6730 6.6730 7.2293 7.2293 7.3733 7.3733 k = 0.1957 0.1130-0.0000 ( 10015 PWs) bands (ev): -10.9631 -10.9631 -10.4385 -10.4385 -10.3937 -10.3937 -10.2586 -10.2586 -10.2020 -10.2020 -10.0543 -10.0543 -0.3182 -0.3182 0.0049 0.0049 0.2487 0.2487 0.3792 0.3792 0.7478 0.7478 0.8335 0.8335 0.9391 0.9391 1.0839 1.0839 1.3210 1.3210 1.5233 1.5233 1.6090 1.6090 1.7548 1.7548 1.9235 1.9235 2.0499 2.0499 2.3417 2.3417 2.5039 2.5039 2.8603 2.8603 2.9963 2.9963 6.3460 6.3460 6.5207 6.5207 6.6815 6.6815 7.2125 7.2125 7.3609 7.3609 k = 0.2174 0.1255-0.0000 ( 10011 PWs) bands (ev): -10.9527 -10.9527 -10.4553 -10.4553 -10.3991 -10.3991 -10.2587 -10.2587 -10.1931 -10.1931 -10.0520 -10.0520 -0.3146 -0.3146 0.0060 0.0060 0.2460 0.2460 0.3880 0.3880 0.7338 0.7338 0.8167 0.8167 0.9232 0.9232 1.0695 1.0695 1.3299 1.3299 1.5513 1.5513 1.6412 1.6412 1.7333 1.7333 1.9301 1.9301 2.0875 2.0875 2.3177 2.3177 2.5330 2.5330 2.8244 2.8244 2.9837 2.9837 6.3645 6.3645 6.5241 6.5241 6.6921 6.6921 7.1932 7.1932 7.3402 7.3402 k = 0.2391 0.1381-0.0000 ( 10011 PWs) bands (ev): -10.9414 -10.9414 -10.4729 -10.4729 -10.4043 -10.4043 -10.2589 -10.2589 -10.1841 -10.1841 -10.0501 -10.0501 -0.3103 -0.3103 0.0049 0.0049 0.2436 0.2436 0.3985 0.3985 0.7196 0.7196 0.8020 0.8020 0.9084 0.9084 1.0566 1.0566 1.3392 1.3392 1.5771 1.5771 1.6592 1.6592 1.7306 1.7306 1.9328 1.9328 2.1252 2.1252 2.2941 2.2941 2.5609 2.5609 2.7872 2.7872 2.9703 2.9703 6.3832 6.3832 6.5273 6.5273 6.7047 6.7047 7.1722 7.1722 7.3177 7.3177 k = 0.2609 0.1506-0.0000 ( 10005 PWs) bands (ev): -10.9292 -10.9292 -10.4912 -10.4912 -10.4092 -10.4092 -10.2592 -10.2592 -10.1752 -10.1752 -10.0487 -10.0487 -0.3055 -0.3055 0.0012 0.0012 0.2421 0.2421 0.4101 0.4101 0.7053 0.7053 0.7896 0.7896 0.8950 0.8950 1.0455 1.0455 1.3476 1.3476 1.5984 1.5984 1.6552 1.6552 1.7562 1.7562 1.9338 1.9338 2.1550 2.1550 2.2770 2.2770 2.5869 2.5869 2.7493 2.7493 2.9562 2.9562 6.4018 6.4018 6.5304 6.5304 6.7190 6.7190 7.1501 7.1501 7.2950 7.2950 k = 0.2826 0.1632-0.0000 ( 10005 PWs) bands (ev): -10.9161 -10.9161 -10.5100 -10.5100 -10.4138 -10.4138 -10.2594 -10.2594 -10.1663 -10.1663 -10.0477 -10.0477 -0.3000 -0.3000 -0.0052 -0.0052 0.2418 0.2418 0.4222 0.4222 0.6911 0.6911 0.7797 0.7797 0.8833 0.8833 1.0366 1.0366 1.3540 1.3540 1.6077 1.6077 1.6535 1.6535 1.7936 1.7936 1.9345 1.9345 2.1633 2.1633 2.2791 2.2791 2.6105 2.6105 2.7112 2.7112 2.9418 2.9418 6.4195 6.4195 6.5341 6.5341 6.7342 6.7342 7.1280 7.1280 7.2729 7.2729 k = 0.3043 0.1757-0.0000 ( 10005 PWs) bands (ev): -10.9023 -10.9023 -10.5293 -10.5293 -10.4181 -10.4181 -10.2596 -10.2596 -10.1577 -10.1577 -10.0472 -10.0472 -0.2939 -0.2939 -0.0140 -0.0140 0.2428 0.2428 0.4341 0.4341 0.6772 0.6772 0.7723 0.7723 0.8739 0.8739 1.0297 1.0297 1.3573 1.3573 1.6016 1.6016 1.6666 1.6666 1.8330 1.8330 1.9360 1.9360 2.1473 2.1473 2.3034 2.3034 2.6292 2.6292 2.6752 2.6752 2.9271 2.9271 6.4355 6.4355 6.5390 6.5390 6.7496 6.7496 7.1067 7.1067 7.2520 7.2520 k = 0.3261 0.1883-0.0000 ( 9999 PWs) bands (ev): -10.8879 -10.8879 -10.5487 -10.5487 -10.4219 -10.4219 -10.2598 -10.2598 -10.1493 -10.1493 -10.0471 -10.0471 -0.2872 -0.2872 -0.0250 -0.0250 0.2451 0.2451 0.4450 0.4450 0.6638 0.6638 0.7670 0.7670 0.8673 0.8673 1.0247 1.0247 1.3563 1.3563 1.5928 1.5928 1.6847 1.6847 1.8693 1.8693 1.9412 1.9412 2.1203 2.1203 2.3372 2.3372 2.6223 2.6223 2.6619 2.6619 2.9124 2.9124 6.4489 6.4489 6.5462 6.5462 6.7638 6.7638 7.0872 7.0872 7.2327 7.2327 k = 0.3478 0.2008-0.0000 ( 10000 PWs) bands (ev): -10.8730 -10.8730 -10.5682 -10.5682 -10.4253 -10.4253 -10.2601 -10.2601 -10.1414 -10.1414 -10.0476 -10.0476 -0.2798 -0.2798 -0.0375 -0.0375 0.2485 0.2485 0.4545 0.4545 0.6511 0.6511 0.7632 0.7632 0.8641 0.8641 1.0217 1.0217 1.3505 1.3505 1.5874 1.5874 1.7025 1.7025 1.8946 1.8946 1.9556 1.9556 2.0917 2.0917 2.3729 2.3729 2.5869 2.5869 2.6739 2.6739 2.8982 2.8982 6.4590 6.4590 6.5561 6.5561 6.7754 6.7754 7.0705 7.0705 7.2151 7.2151 k = 0.3696 0.2134-0.0000 ( 10008 PWs) bands (ev): -10.8577 -10.8577 -10.5875 -10.5875 -10.4283 -10.4283 -10.2603 -10.2603 -10.1339 -10.1339 -10.0485 -10.0485 -0.2721 -0.2721 -0.0511 -0.0511 0.2526 0.2526 0.4623 0.4623 0.6394 0.6394 0.7602 0.7602 0.8646 0.8646 1.0205 1.0205 1.3403 1.3403 1.5866 1.5866 1.7186 1.7186 1.9054 1.9054 1.9777 1.9777 2.0697 2.0697 2.4073 2.4073 2.5482 2.5482 2.6858 2.6858 2.8849 2.8849 6.4657 6.4657 6.5690 6.5690 6.7833 6.7833 7.0574 7.0574 7.1996 7.1996 k = 0.3913 0.2259-0.0000 ( 10008 PWs) bands (ev): -10.8423 -10.8423 -10.6064 -10.6064 -10.4309 -10.4309 -10.2604 -10.2604 -10.1270 -10.1270 -10.0497 -10.0497 -0.2640 -0.2640 -0.0649 -0.0649 0.2570 0.2570 0.4683 0.4683 0.6288 0.6288 0.7574 0.7574 0.8683 0.8683 1.0212 1.0212 1.3265 1.3265 1.5899 1.5899 1.7323 1.7323 1.9086 1.9086 1.9849 1.9849 2.0716 2.0716 2.4376 2.4376 2.5109 2.5109 2.6943 2.6943 2.8731 2.8731 6.4697 6.4697 6.5840 6.5840 6.7864 6.7864 7.0483 7.0483 7.1860 7.1860 k = 0.4130 0.2385-0.0000 ( 9994 PWs) bands (ev): -10.8272 -10.8272 -10.6244 -10.6244 -10.4330 -10.4330 -10.2606 -10.2606 -10.1208 -10.1208 -10.0512 -10.0512 -0.2559 -0.2559 -0.0784 -0.0784 0.2614 0.2614 0.4726 0.4726 0.6198 0.6198 0.7547 0.7547 0.8742 0.8742 1.0235 1.0235 1.3109 1.3109 1.5961 1.5961 1.7433 1.7433 1.9092 1.9092 1.9701 1.9701 2.1008 2.1008 2.4479 2.4479 2.4904 2.4904 2.6989 2.6989 2.8634 2.8634 6.4718 6.4718 6.5999 6.5999 6.7848 6.7848 7.0428 7.0428 7.1745 7.1745 k = 0.4348 0.2510-0.0000 ( 10008 PWs) bands (ev): -10.8130 -10.8130 -10.6409 -10.6409 -10.4347 -10.4347 -10.2607 -10.2607 -10.1156 -10.1156 -10.0527 -10.0527 -0.2482 -0.2482 -0.0906 -0.0906 0.2653 0.2653 0.4756 0.4756 0.6124 0.6124 0.7522 0.7522 0.8807 0.8807 1.0271 1.0271 1.2954 1.2954 1.6037 1.6037 1.7514 1.7514 1.9087 1.9087 1.9507 1.9507 2.1392 2.1392 2.4178 2.4178 2.5065 2.5065 2.6996 2.6996 2.8561 2.8561 6.4727 6.4727 6.6155 6.6155 6.7796 6.7796 7.0401 7.0401 7.1650 7.1650 k = 0.4565 0.2636-0.0000 ( 10022 PWs) bands (ev): -10.8007 -10.8007 -10.6548 -10.6548 -10.4358 -10.4358 -10.2608 -10.2608 -10.1116 -10.1116 -10.0541 -10.0541 -0.2417 -0.2417 -0.1005 -0.1005 0.2684 0.2684 0.4774 0.4774 0.6070 0.6070 0.7502 0.7502 0.8864 0.8864 1.0313 1.0313 1.2820 1.2820 1.6110 1.6110 1.7566 1.7566 1.9078 1.9078 1.9347 1.9347 2.1787 2.1787 2.3804 2.3804 2.5259 2.5259 2.6975 2.6975 2.8513 2.8513 6.4730 6.4730 6.6291 6.6291 6.7727 6.7727 7.0390 7.0390 7.1579 7.1579 k = 0.4783 0.2761-0.0000 ( 10020 PWs) bands (ev): -10.7919 -10.7919 -10.6645 -10.6645 -10.4366 -10.4366 -10.2608 -10.2608 -10.1090 -10.1090 -10.0551 -10.0551 -0.2372 -0.2372 -0.1072 -0.1072 0.2703 0.2703 0.4784 0.4784 0.6037 0.6037 0.7489 0.7489 0.8902 0.8902 1.0347 1.0347 1.2728 1.2728 1.6163 1.6163 1.7593 1.7593 1.9066 1.9066 1.9249 1.9249 2.2138 2.2138 2.3463 2.3463 2.5396 2.5396 2.6947 2.6947 2.8486 2.8486 6.4731 6.4731 6.6389 6.6389 6.7667 6.7667 7.0386 7.0386 7.1534 7.1534 k = 0.5000 0.2887-0.0000 ( 10002 PWs) bands (ev): -10.7887 -10.7887 -10.6681 -10.6681 -10.4368 -10.4368 -10.2609 -10.2609 -10.1081 -10.1081 -10.0555 -10.0555 -0.2356 -0.2356 -0.1095 -0.1095 0.2710 0.2710 0.4787 0.4787 0.6025 0.6025 0.7485 0.7485 0.8916 0.8916 1.0360 1.0360 1.2696 1.2696 1.6182 1.6182 1.7601 1.7601 1.9059 1.9059 1.9218 1.9218 2.2309 2.2309 2.3297 2.3297 2.5445 2.5445 2.6933 2.6933 2.8478 2.8478 6.4732 6.4732 6.6425 6.6425 6.7643 6.7643 7.0385 7.0385 7.1520 7.1520 k = 0.5000 0.2887-0.0000 ( 10002 PWs) bands (ev): -10.7887 -10.7887 -10.6681 -10.6681 -10.4368 -10.4368 -10.2609 -10.2609 -10.1081 -10.1081 -10.0555 -10.0555 -0.2356 -0.2356 -0.1095 -0.1095 0.2710 0.2710 0.4787 0.4787 0.6025 0.6025 0.7485 0.7485 0.8916 0.8916 1.0360 1.0360 1.2696 1.2696 1.6182 1.6182 1.7601 1.7601 1.9059 1.9059 1.9218 1.9218 2.2309 2.2309 2.3297 2.3297 2.5445 2.5445 2.6933 2.6933 2.8478 2.8478 6.4732 6.4732 6.6425 6.6425 6.7643 6.7643 7.0385 7.0385 7.1520 7.1520 k = 0.4881 0.3093-0.0000 ( 10006 PWs) bands (ev): -10.7882 -10.7882 -10.6680 -10.6680 -10.4386 -10.4386 -10.2594 -10.2594 -10.1083 -10.1083 -10.0555 -10.0555 -0.2348 -0.2348 -0.1096 -0.1096 0.2650 0.2650 0.4834 0.4834 0.6038 0.6038 0.7497 0.7497 0.8917 0.8917 1.0359 1.0359 1.2699 1.2699 1.6164 1.6164 1.7618 1.7618 1.8784 1.8784 1.9472 1.9472 2.2300 2.2300 2.3292 2.3292 2.5455 2.5455 2.6944 2.6944 2.8476 2.8476 6.4740 6.4740 6.6417 6.6417 6.7665 6.7665 7.0363 7.0363 7.1381 7.1381 k = 0.4762 0.3299-0.0000 ( 9998 PWs) bands (ev): -10.7867 -10.7867 -10.6676 -10.6676 -10.4439 -10.4439 -10.2551 -10.2551 -10.1091 -10.1091 -10.0557 -10.0557 -0.2325 -0.2325 -0.1099 -0.1099 0.2486 0.2486 0.4953 0.4953 0.6081 0.6081 0.7532 0.7532 0.8919 0.8919 1.0356 1.0356 1.2710 1.2710 1.6108 1.6108 1.7659 1.7659 1.8436 1.8436 1.9764 1.9764 2.2273 2.2273 2.3277 2.3277 2.5485 2.5485 2.6974 2.6974 2.8468 2.8468 6.4767 6.4767 6.6396 6.6396 6.7725 6.7725 7.0293 7.0293 7.1209 7.1209 k = 0.4643 0.3505-0.0000 ( 9983 PWs) bands (ev): -10.7842 -10.7842 -10.6669 -10.6669 -10.4520 -10.4520 -10.2485 -10.2485 -10.1104 -10.1104 -10.0561 -10.0561 -0.2287 -0.2287 -0.1104 -0.1104 0.2256 0.2256 0.5092 0.5092 0.6172 0.6172 0.7589 0.7589 0.8921 0.8921 1.0357 1.0357 1.2727 1.2727 1.6016 1.6016 1.7665 1.7665 1.8142 1.8142 2.0027 2.0027 2.2231 2.2231 2.3251 2.3251 2.5534 2.5534 2.7023 2.7023 2.8455 2.8455 6.4811 6.4811 6.6368 6.6368 6.7811 6.7811 7.0170 7.0170 7.1099 7.1099 k = 0.4524 0.3712-0.0000 ( 9985 PWs) bands (ev): -10.7808 -10.7808 -10.6661 -10.6661 -10.4625 -10.4625 -10.2403 -10.2403 -10.1121 -10.1121 -10.0565 -10.0565 -0.2234 -0.2234 -0.1109 -0.1109 0.1988 0.1988 0.5203 0.5203 0.6329 0.6329 0.7664 0.7664 0.8919 0.8919 1.0366 1.0366 1.2749 1.2749 1.5890 1.5890 1.7452 1.7452 1.8090 1.8090 2.0258 2.0258 2.2174 2.2174 2.3213 2.3213 2.5602 2.5602 2.7089 2.7089 2.8435 2.8435 6.4871 6.4871 6.6339 6.6339 6.7907 6.7907 7.0001 7.0001 7.1064 7.1064 k = 0.4405 0.3918-0.0000 ( 9989 PWs) bands (ev): -10.7764 -10.7764 -10.6651 -10.6651 -10.4745 -10.4745 -10.2310 -10.2310 -10.1143 -10.1143 -10.0571 -10.0571 -0.2166 -0.2166 -0.1115 -0.1115 0.1701 0.1701 0.5267 0.5267 0.6548 0.6548 0.7755 0.7755 0.8911 0.8911 1.0391 1.0391 1.2774 1.2774 1.5732 1.5732 1.7084 1.7084 1.8222 1.8222 2.0454 2.0454 2.2107 2.2107 2.3163 2.3163 2.5686 2.5686 2.7167 2.7167 2.8408 2.8408 6.4947 6.4947 6.6313 6.6313 6.7995 6.7995 6.9808 6.9808 7.1102 7.1102 k = 0.4286 0.4124-0.0000 ( 9983 PWs) bands (ev): -10.7710 -10.7710 -10.6642 -10.6642 -10.4875 -10.4875 -10.2210 -10.2210 -10.1170 -10.1170 -10.0578 -10.0578 -0.2084 -0.2084 -0.1120 -0.1120 0.1408 0.1408 0.5293 0.5293 0.6809 0.6809 0.7861 0.7861 0.8895 0.8895 1.0438 1.0438 1.2802 1.2802 1.5543 1.5543 1.6686 1.6686 1.8416 1.8416 2.0616 2.0616 2.2031 2.2031 2.3100 2.3100 2.5784 2.5784 2.7255 2.7255 2.8373 2.8373 6.5037 6.5037 6.6295 6.6295 6.8061 6.8061 6.9610 6.9610 7.1208 7.1208 k = 0.4167 0.4330-0.0000 ( 9979 PWs) bands (ev): -10.7647 -10.7647 -10.6635 -10.6635 -10.5010 -10.5010 -10.2108 -10.2108 -10.1201 -10.1201 -10.0587 -10.0587 -0.1990 -0.1990 -0.1123 -0.1123 0.1114 0.1114 0.5294 0.5294 0.7083 0.7083 0.7981 0.7981 0.8872 0.8872 1.0510 1.0510 1.2832 1.2832 1.5327 1.5327 1.6289 1.6289 1.8644 1.8644 2.0744 2.0744 2.1951 2.1951 2.3025 2.3025 2.5894 2.5894 2.7348 2.7348 2.8328 2.8328 6.5138 6.5138 6.6285 6.6285 6.8095 6.8095 6.9418 6.9418 7.1380 7.1380 k = 0.4048 0.4536-0.0000 ( 9981 PWs) bands (ev): -10.7575 -10.7575 -10.6633 -10.6633 -10.5144 -10.5144 -10.2006 -10.2006 -10.1235 -10.1235 -10.0595 -10.0595 -0.1884 -0.1884 -0.1122 -0.1122 0.0826 0.0826 0.5282 0.5282 0.7342 0.7342 0.8116 0.8116 0.8849 0.8849 1.0604 1.0604 1.2862 1.2862 1.5088 1.5088 1.5908 1.5908 1.8896 1.8896 2.0836 2.0836 2.1870 2.1870 2.2937 2.2937 2.6011 2.6011 2.7444 2.7444 2.8274 2.8274 6.5246 6.5246 6.6283 6.6283 6.8094 6.8094 6.9239 6.9239 7.1615 7.1615 k = 0.3929 0.4743-0.0000 ( 9983 PWs) bands (ev): -10.7494 -10.7494 -10.6639 -10.6639 -10.5271 -10.5271 -10.1907 -10.1907 -10.1274 -10.1274 -10.0605 -10.0605 -0.1768 -0.1768 -0.1115 -0.1115 0.0546 0.0546 0.5264 0.5264 0.7564 0.7564 0.8253 0.8253 0.8844 0.8844 1.0712 1.0712 1.2895 1.2895 1.4835 1.4835 1.5554 1.5554 1.9162 1.9162 2.0894 2.0894 2.1795 2.1795 2.2838 2.2838 2.6133 2.6133 2.7537 2.7537 2.8211 2.8211 6.5355 6.5355 6.6291 6.6291 6.8064 6.8064 6.9078 6.9078 7.1902 7.1902 k = 0.3810 0.4949-0.0000 ( 9983 PWs) bands (ev): -10.7405 -10.7405 -10.6659 -10.6659 -10.5385 -10.5385 -10.1813 -10.1813 -10.1316 -10.1316 -10.0614 -10.0614 -0.1648 -0.1648 -0.1101 -0.1101 0.0279 0.0279 0.5246 0.5246 0.7740 0.7740 0.8355 0.8355 0.8898 0.8898 1.0817 1.0817 1.2937 1.2937 1.4581 1.4581 1.5235 1.5235 1.9433 1.9433 2.0917 2.0917 2.1733 2.1733 2.2729 2.2729 2.6254 2.6254 2.7624 2.7624 2.8139 2.8139 6.5460 6.5460 6.6305 6.6305 6.8014 6.8014 6.8938 6.8938 7.2231 7.2231 k = 0.3690 0.5155-0.0000 ( 9979 PWs) bands (ev): -10.7308 -10.7308 -10.6698 -10.6698 -10.5478 -10.5478 -10.1725 -10.1725 -10.1361 -10.1361 -10.0623 -10.0623 -0.1529 -0.1529 -0.1074 -0.1074 0.0029 0.0029 0.5229 0.5229 0.7873 0.7873 0.8385 0.8385 0.9031 0.9031 1.0897 1.0897 1.2999 1.2999 1.4345 1.4345 1.4956 1.4956 1.9696 1.9696 2.0906 2.0906 2.1692 2.1692 2.2614 2.2614 2.6367 2.6367 2.7703 2.7703 2.8061 2.8061 6.5552 6.5552 6.6325 6.6325 6.7957 6.7957 6.8822 6.8822 7.2584 7.2584 k = 0.3571 0.5361-0.0000 ( 9987 PWs) bands (ev): -10.7204 -10.7204 -10.6760 -10.6760 -10.5547 -10.5547 -10.1645 -10.1645 -10.1409 -10.1409 -10.0630 -10.0630 -0.1425 -0.1425 -0.1031 -0.1031 -0.0193 -0.0193 0.5215 0.5215 0.7969 0.7969 0.8366 0.8366 0.9200 0.9200 1.0932 1.0932 1.3091 1.3091 1.4140 1.4140 1.4727 1.4727 1.9928 1.9928 2.0873 2.0873 2.1677 2.1677 2.2499 2.2499 2.6465 2.6465 2.7770 2.7770 2.7984 2.7984 6.5625 6.5625 6.6344 6.6344 6.7906 6.7906 6.8735 6.8735 7.2941 7.2941 k = 0.3452 0.5567-0.0000 ( 10025 PWs) bands (ev): -10.7095 -10.7095 -10.6845 -10.6845 -10.5586 -10.5586 -10.1575 -10.1575 -10.1458 -10.1458 -10.0636 -10.0636 -0.1350 -0.1350 -0.0979 -0.0979 -0.0364 -0.0364 0.5207 0.5207 0.8032 0.8032 0.8336 0.8336 0.9342 0.9342 1.0925 1.0925 1.3200 1.3200 1.3986 1.3986 1.4567 1.4567 2.0094 2.0094 2.0836 2.0836 2.1687 2.1687 2.2399 2.2399 2.6536 2.6536 2.7822 2.7822 2.7917 2.7917 6.5672 6.5672 6.6358 6.6358 6.7871 6.7871 6.8681 6.8681 7.3275 7.3275 k = 0.3333 0.5774-0.0000 ( 10029 PWs) bands (ev): -10.7012 -10.7012 -10.6920 -10.6920 -10.5599 -10.5599 -10.1529 -10.1529 -10.1497 -10.1497 -10.0638 -10.0638 -0.1322 -0.1322 -0.0953 -0.0953 -0.0434 -0.0434 0.5204 0.5204 0.8055 0.8055 0.8322 0.8322 0.9399 0.9399 1.0912 1.0912 1.3258 1.3258 1.3925 1.3925 1.4505 1.4505 2.0154 2.0154 2.0823 2.0823 2.1700 2.1700 2.2353 2.2353 2.6563 2.6563 2.7847 2.7847 2.7884 2.7884 6.5688 6.5688 6.6363 6.6363 6.7860 6.7860 6.8662 6.8662 7.3502 7.3502 k = 0.3333 0.5774-0.0000 ( 10029 PWs) bands (ev): -10.7012 -10.7012 -10.6920 -10.6920 -10.5599 -10.5599 -10.1529 -10.1529 -10.1497 -10.1497 -10.0638 -10.0638 -0.1322 -0.1322 -0.0953 -0.0953 -0.0434 -0.0434 0.5204 0.5204 0.8055 0.8055 0.8322 0.8322 0.9399 0.9399 1.0912 1.0912 1.3258 1.3258 1.3925 1.3925 1.4505 1.4505 2.0154 2.0154 2.0823 2.0823 2.1700 2.1700 2.2353 2.2353 2.6563 2.6563 2.7847 2.7847 2.7884 2.7884 6.5688 6.5688 6.6363 6.6363 6.7860 6.7860 6.8662 6.8662 7.3502 7.3502 k = 0.3210 0.5560-0.0000 ( 10011 PWs) bands (ev): -10.7111 -10.7111 -10.6827 -10.6827 -10.5587 -10.5587 -10.1572 -10.1572 -10.1462 -10.1462 -10.0635 -10.0635 -0.1361 -0.1361 -0.0966 -0.0966 -0.0366 -0.0366 0.5207 0.5207 0.8034 0.8034 0.8336 0.8336 0.9331 0.9331 1.0937 1.0937 1.3197 1.3197 1.3965 1.3965 1.4592 1.4592 2.0099 2.0099 2.0826 2.0826 2.1670 2.1670 2.2421 2.2421 2.6529 2.6529 2.7841 2.7841 2.7902 2.7902 6.5670 6.5670 6.6359 6.6359 6.7870 6.7870 6.8683 6.8683 7.3307 7.3307 k = 0.3086 0.5346-0.0000 ( 9997 PWs) bands (ev): -10.7260 -10.7260 -10.6693 -10.6693 -10.5555 -10.5555 -10.1629 -10.1629 -10.1428 -10.1428 -10.0628 -10.0628 -0.1475 -0.1475 -0.0962 -0.0962 -0.0208 -0.0208 0.5216 0.5216 0.7982 0.7982 0.8367 0.8367 0.9140 0.9140 1.1004 1.1004 1.3079 1.3079 1.4009 1.4009 1.4857 1.4857 1.9966 1.9966 2.0804 2.0804 2.1583 2.1583 2.2620 2.2620 2.6427 2.6427 2.7844 2.7844 2.7935 2.7935 6.5615 6.5615 6.6352 6.6352 6.7892 6.7892 6.8747 6.8747 7.3074 7.3074 k = 0.2963 0.5132-0.0000 ( 9999 PWs) bands (ev): -10.7422 -10.7422 -10.6550 -10.6550 -10.5508 -10.5508 -10.1689 -10.1689 -10.1408 -10.1408 -10.0615 -10.0615 -0.1630 -0.1630 -0.0927 -0.0927 -0.0009 -0.0009 0.5230 0.5230 0.7910 0.7910 0.8400 0.8400 0.8879 0.8879 1.1072 1.1072 1.2985 1.2985 1.4032 1.4032 1.5240 1.5240 1.9787 1.9787 2.0730 2.0730 2.1480 2.1480 2.2904 2.2904 2.6262 2.6262 2.7830 2.7830 2.8002 2.8002 6.5527 6.5527 6.6345 6.6345 6.7914 6.7914 6.8853 6.8853 7.2863 7.2863 k = 0.2840 0.4918-0.0000 ( 10003 PWs) bands (ev): -10.7590 -10.7590 -10.6402 -10.6402 -10.5448 -10.5448 -10.1750 -10.1750 -10.1402 -10.1402 -10.0598 -10.0598 -0.1796 -0.1796 -0.0874 -0.0874 0.0211 0.0211 0.5246 0.5246 0.7810 0.7810 0.8421 0.8421 0.8613 0.8613 1.1097 1.1097 1.2962 1.2962 1.4051 1.4051 1.5684 1.5684 1.9579 1.9579 2.0593 2.0593 2.1393 2.1393 2.3237 2.3237 2.6045 2.6045 2.7790 2.7790 2.8101 2.8101 6.5417 6.5417 6.6337 6.6337 6.7922 6.7922 6.8998 6.8998 7.2684 7.2684 k = 0.2716 0.4704-0.0000 ( 9989 PWs) bands (ev): -10.7762 -10.7762 -10.6248 -10.6248 -10.5380 -10.5380 -10.1811 -10.1811 -10.1409 -10.1409 -10.0577 -10.0577 -0.1960 -0.1960 -0.0808 -0.0808 0.0443 0.0443 0.5260 0.5260 0.7658 0.7658 0.8332 0.8332 0.8498 0.8498 1.1057 1.1057 1.3023 1.3023 1.4072 1.4072 1.6159 1.6159 1.9352 1.9352 2.0398 2.0398 2.1334 2.1334 2.3596 2.3596 2.5787 2.5787 2.7725 2.7725 2.8219 2.8219 6.5292 6.5292 6.6326 6.6326 6.7909 6.7909 6.9178 6.9178 7.2544 7.2544 k = 0.2593 0.4491-0.0000 ( 9991 PWs) bands (ev): -10.7935 -10.7935 -10.6090 -10.6090 -10.5303 -10.5303 -10.1872 -10.1872 -10.1427 -10.1427 -10.0556 -10.0556 -0.2117 -0.2117 -0.0733 -0.0733 0.0683 0.0683 0.5265 0.5265 0.7441 0.7441 0.8192 0.8192 0.8513 0.8513 1.0964 1.0964 1.3154 1.3154 1.4103 1.4103 1.6644 1.6644 1.9108 1.9108 2.0158 2.0158 2.1301 2.1301 2.3967 2.3967 2.5497 2.5497 2.7638 2.7638 2.8349 2.8349 6.5161 6.5161 6.6306 6.6306 6.7871 6.7871 6.9391 6.9391 7.2446 7.2446 k = 0.2469 0.4277-0.0000 ( 9995 PWs) bands (ev): -10.8106 -10.8106 -10.5929 -10.5929 -10.5221 -10.5221 -10.1934 -10.1934 -10.1455 -10.1455 -10.0534 -10.0534 -0.2264 -0.2264 -0.0651 -0.0651 0.0925 0.0925 0.5251 0.5251 0.7196 0.7196 0.8109 0.8109 0.8536 0.8536 1.0842 1.0842 1.3318 1.3318 1.4154 1.4154 1.7123 1.7123 1.8852 1.8852 1.9884 1.9884 2.1292 2.1292 2.4337 2.4337 2.5188 2.5188 2.7528 2.7528 2.8485 2.8485 6.5028 6.5028 6.6273 6.6273 6.7806 6.7806 6.9634 6.9634 7.2388 7.2388 k = 0.2346 0.4063-0.0000 ( 9997 PWs) bands (ev): -10.8276 -10.8276 -10.5765 -10.5765 -10.5134 -10.5134 -10.1994 -10.1994 -10.1491 -10.1491 -10.0514 -10.0514 -0.2400 -0.2400 -0.0563 -0.0563 0.1165 0.1165 0.5202 0.5202 0.6972 0.6972 0.8061 0.8061 0.8562 0.8562 1.0715 1.0715 1.3474 1.3474 1.4246 1.4246 1.7578 1.7578 1.8589 1.8589 1.9588 1.9588 2.1305 2.1305 2.4620 2.4620 2.4945 2.4945 2.7398 2.7398 2.8625 2.8625 6.4897 6.4897 6.6223 6.6223 6.7718 6.7718 6.9905 6.9905 7.2365 7.2365 k = 0.2222 0.3849-0.0000 ( 10011 PWs) bands (ev): -10.8442 -10.8442 -10.5599 -10.5599 -10.5043 -10.5043 -10.2054 -10.2054 -10.1533 -10.1533 -10.0497 -10.0497 -0.2525 -0.2525 -0.0472 -0.0472 0.1400 0.1400 0.5104 0.5104 0.6810 0.6810 0.8031 0.8031 0.8593 0.8593 1.0600 1.0600 1.3582 1.3582 1.4403 1.4403 1.7959 1.7959 1.8353 1.8353 1.9280 1.9280 2.1345 2.1345 2.4403 2.4403 2.5179 2.5179 2.7248 2.7248 2.8768 2.8768 6.4769 6.4769 6.6153 6.6153 6.7616 6.7616 7.0202 7.0202 7.2368 7.2368 k = 0.2099 0.3635-0.0000 ( 10009 PWs) bands (ev): -10.8603 -10.8603 -10.5433 -10.5433 -10.4949 -10.4949 -10.2113 -10.2113 -10.1581 -10.1581 -10.0484 -10.0484 -0.2638 -0.2638 -0.0380 -0.0380 0.1624 0.1624 0.4951 0.4951 0.6725 0.6725 0.8012 0.8012 0.8633 0.8633 1.0506 1.0506 1.3631 1.3631 1.4626 1.4626 1.7939 1.7939 1.8426 1.8426 1.8997 1.8997 2.1416 2.1416 2.4035 2.4035 2.5544 2.5544 2.7084 2.7084 2.8911 2.8911 6.4641 6.4641 6.6064 6.6064 6.7506 6.7506 7.0522 7.0522 7.2385 7.2385 k = 0.1975 0.3421-0.0000 ( 9999 PWs) bands (ev): -10.8759 -10.8759 -10.5266 -10.5266 -10.4852 -10.4852 -10.2169 -10.2169 -10.1634 -10.1634 -10.0475 -10.0475 -0.2740 -0.2740 -0.0289 -0.0289 0.1833 0.1833 0.4758 0.4758 0.6713 0.6713 0.8000 0.8000 0.8685 0.8685 1.0441 1.0441 1.3635 1.3635 1.4895 1.4895 1.7666 1.7666 1.8433 1.8433 1.8956 1.8956 2.1519 2.1519 2.3647 2.3647 2.5905 2.5905 2.6915 2.6915 2.9055 2.9055 6.4513 6.4513 6.5957 6.5957 6.7394 6.7394 7.0860 7.0860 7.2409 7.2409 k = 0.1852 0.3208-0.0000 ( 10007 PWs) bands (ev): -10.8909 -10.8909 -10.5101 -10.5101 -10.4753 -10.4753 -10.2224 -10.2224 -10.1691 -10.1691 -10.0471 -10.0471 -0.2832 -0.2832 -0.0203 -0.0203 0.2020 0.2020 0.4547 0.4547 0.6756 0.6756 0.7997 0.7997 0.8751 0.8751 1.0407 1.0407 1.3607 1.3607 1.5191 1.5191 1.7367 1.7367 1.8140 1.8140 1.9161 1.9161 2.1645 2.1645 2.3264 2.3264 2.6206 2.6206 2.6790 2.6790 2.9198 2.9198 6.4381 6.4381 6.5839 6.5839 6.7285 6.7285 7.1211 7.1211 7.2433 7.2433 k = 0.1728 0.2994-0.0000 ( 10009 PWs) bands (ev): -10.9052 -10.9052 -10.4937 -10.4937 -10.4652 -10.4652 -10.2276 -10.2276 -10.1752 -10.1752 -10.0472 -10.0472 -0.2913 -0.2913 -0.0125 -0.0125 0.2182 0.2182 0.4340 0.4340 0.6837 0.6837 0.8008 0.8008 0.8833 0.8833 1.0406 1.0406 1.3558 1.3558 1.5499 1.5499 1.7061 1.7061 1.7792 1.7792 1.9354 1.9354 2.1749 2.1749 2.2930 2.2930 2.6256 2.6256 2.6896 2.6896 2.9339 2.9339 6.4241 6.4241 6.5718 6.5718 6.7181 6.7181 7.1565 7.1565 7.2464 7.2464 k = 0.1605 0.2780-0.0000 ( 10009 PWs) bands (ev): -10.9187 -10.9187 -10.4777 -10.4777 -10.4550 -10.4550 -10.2325 -10.2325 -10.1816 -10.1816 -10.0477 -10.0477 -0.2984 -0.2984 -0.0059 -0.0059 0.2313 0.2313 0.4152 0.4152 0.6946 0.6946 0.8037 0.8037 0.8930 0.8930 1.0437 1.0437 1.3494 1.3494 1.5801 1.5801 1.6760 1.6760 1.7437 1.7437 1.9498 1.9498 2.1709 2.1709 2.2758 2.2758 2.6079 2.6079 2.7212 2.7212 2.9478 2.9478 6.4092 6.4092 6.5602 6.5602 6.7083 6.7083 7.1903 7.1903 7.2518 7.2518 k = 0.1481 0.2566-0.0000 ( 10009 PWs) bands (ev): -10.9315 -10.9315 -10.4620 -10.4620 -10.4448 -10.4448 -10.2370 -10.2370 -10.1882 -10.1882 -10.0488 -10.0488 -0.3046 -0.3046 -0.0008 -0.0008 0.2411 0.2411 0.3993 0.3993 0.7071 0.7071 0.8090 0.8090 0.9040 0.9040 1.0501 1.0501 1.3419 1.3419 1.6033 1.6033 1.6512 1.6512 1.7097 1.7097 1.9598 1.9598 2.1442 2.1442 2.2822 2.2822 2.5838 2.5838 2.7572 2.7572 2.9613 2.9613 6.3934 6.3934 6.5495 6.5495 6.6990 6.6990 7.2175 7.2175 7.2642 7.2642 k = 0.1358 0.2352-0.0000 ( 10029 PWs) bands (ev): -10.9434 -10.9434 -10.4470 -10.4470 -10.4346 -10.4346 -10.2413 -10.2413 -10.1950 -10.1950 -10.0504 -10.0504 -0.3099 -0.3099 0.0024 0.0024 0.2478 0.2478 0.3868 0.3868 0.7206 0.7206 0.8171 0.8171 0.9163 0.9163 1.0594 1.0594 1.3336 1.3336 1.5954 1.5954 1.6462 1.6462 1.6872 1.6872 1.9664 1.9664 2.1042 2.1042 2.3013 2.3013 2.5572 2.5572 2.7939 2.7939 2.9745 2.9745 6.3767 6.3767 6.5401 6.5401 6.6904 6.6904 7.2328 7.2328 7.2885 7.2885 k = 0.1235 0.2138-0.0000 ( 10019 PWs) bands (ev): -10.9544 -10.9544 -10.4326 -10.4326 -10.4245 -10.4245 -10.2451 -10.2451 -10.2020 -10.2020 -10.0523 -10.0523 -0.3145 -0.3145 0.0037 0.0037 0.2518 0.2518 0.3777 0.3777 0.7347 0.7347 0.8280 0.8280 0.9297 0.9297 1.0713 1.0713 1.3251 1.3251 1.5664 1.5664 1.6254 1.6254 1.7021 1.7021 1.9704 1.9704 2.0594 2.0594 2.3241 2.3241 2.5290 2.5290 2.8301 2.8301 2.9870 2.9870 6.3595 6.3595 6.5320 6.5320 6.6825 6.6825 7.2408 7.2408 7.3186 7.3186 k = 0.1111 0.1925-0.0000 ( 10007 PWs) bands (ev): -10.9645 -10.9645 -10.4190 -10.4190 -10.4144 -10.4144 -10.2484 -10.2484 -10.2091 -10.2091 -10.0546 -10.0546 -0.3183 -0.3183 0.0029 0.0029 0.2539 0.2539 0.3715 0.3715 0.7487 0.7487 0.8417 0.8417 0.9442 0.9442 1.0851 1.0851 1.3173 1.3173 1.5336 1.5336 1.5944 1.5944 1.7315 1.7315 1.9714 1.9714 2.0141 2.0141 2.3469 2.3469 2.4997 2.4997 2.8652 2.8652 2.9990 2.9990 6.3423 6.3423 6.5250 6.5250 6.6755 6.6755 7.2466 7.2466 7.3448 7.3448 k = 0.0988 0.1711-0.0000 ( 10013 PWs) bands (ev): -10.9736 -10.9736 -10.4067 -10.4067 -10.4043 -10.4043 -10.2514 -10.2514 -10.2161 -10.2161 -10.0572 -10.0572 -0.3215 -0.3215 0.0005 0.0005 0.2549 0.2549 0.3676 0.3676 0.7622 0.7622 0.8578 0.8578 0.9601 0.9601 1.0993 1.0993 1.3113 1.3113 1.4997 1.4997 1.5637 1.5637 1.7624 1.7624 1.9560 1.9560 1.9841 1.9841 2.3682 2.3682 2.4698 2.4698 2.8987 2.8987 3.0101 3.0101 6.3256 6.3256 6.5191 6.5191 6.6695 6.6695 7.2517 7.2517 7.3548 7.3548 k = 0.0864 0.1497-0.0000 ( 10019 PWs) bands (ev): -10.9818 -10.9818 -10.3961 -10.3961 -10.3939 -10.3939 -10.2539 -10.2539 -10.2231 -10.2231 -10.0600 -10.0600 -0.3241 -0.3241 -0.0034 -0.0034 0.2552 0.2552 0.3652 0.3652 0.7748 0.7748 0.8761 0.8761 0.9773 0.9773 1.1121 1.1121 1.3088 1.3088 1.4653 1.4653 1.5352 1.5352 1.7907 1.7907 1.9154 1.9154 1.9812 1.9812 2.3869 2.3869 2.4400 2.4400 2.9299 2.9299 3.0204 3.0204 6.3099 6.3099 6.5140 6.5140 6.6646 6.6646 7.2563 7.2563 7.3552 7.3552 k = 0.0741 0.1283-0.0000 ( 10015 PWs) bands (ev): -10.9889 -10.9889 -10.3868 -10.3868 -10.3837 -10.3837 -10.2561 -10.2561 -10.2297 -10.2297 -10.0628 -10.0628 -0.3262 -0.3262 -0.0080 -0.0080 0.2553 0.2553 0.3642 0.3642 0.7862 0.7862 0.8959 0.8959 0.9957 0.9957 1.1209 1.1209 1.3120 1.3120 1.4311 1.4311 1.5094 1.5094 1.8069 1.8069 1.8827 1.8827 1.9819 1.9819 2.3978 2.3978 2.4155 2.4155 2.9582 2.9582 3.0297 3.0297 6.2954 6.2954 6.5096 6.5096 6.6607 6.6607 7.2600 7.2600 7.3528 7.3528 k = 0.0617 0.1069-0.0000 ( 9999 PWs) bands (ev): -10.9949 -10.9949 -10.3785 -10.3785 -10.3747 -10.3747 -10.2581 -10.2581 -10.2357 -10.2357 -10.0656 -10.0656 -0.3278 -0.3278 -0.0130 -0.0130 0.2553 0.2553 0.3639 0.3639 0.7959 0.7959 0.9171 0.9171 1.0153 1.0153 1.1236 1.1236 1.3224 1.3224 1.3978 1.3978 1.4871 1.4871 1.7888 1.7888 1.8827 1.8827 1.9835 1.9835 2.3765 2.3765 2.4215 2.4215 2.9829 2.9829 3.0381 3.0381 6.2827 6.2827 6.5058 6.5058 6.6577 6.6577 7.2626 7.2626 7.3492 7.3492 k = 0.0494 0.0855-0.0000 ( 9983 PWs) bands (ev): -10.9999 -10.9999 -10.3712 -10.3712 -10.3668 -10.3668 -10.2602 -10.2602 -10.2408 -10.2408 -10.0682 -10.0682 -0.3291 -0.3291 -0.0177 -0.0177 0.2550 0.2550 0.3643 0.3643 0.8039 0.8039 0.9388 0.9388 1.0355 1.0355 1.1195 1.1195 1.3393 1.3393 1.3666 1.3666 1.4685 1.4685 1.7501 1.7501 1.9019 1.9019 1.9863 1.9863 2.3492 2.3492 2.4324 2.4324 3.0036 3.0036 3.0456 3.0456 6.2719 6.2719 6.5026 6.5026 6.6556 6.6556 7.2640 7.2640 7.3458 7.3458 k = 0.0370 0.0642-0.0000 ( 9991 PWs) bands (ev): -11.0038 -11.0038 -10.3654 -10.3654 -10.3602 -10.3602 -10.2625 -10.2625 -10.2445 -10.2445 -10.0703 -10.0703 -0.3300 -0.3300 -0.0219 -0.0219 0.2548 0.2548 0.3650 0.3650 0.8101 0.8101 0.9605 0.9605 1.0551 1.0551 1.1101 1.1101 1.3359 1.3359 1.3631 1.3631 1.4544 1.4544 1.7094 1.7094 1.9211 1.9211 1.9909 1.9909 2.3241 2.3241 2.4411 2.4411 3.0194 3.0194 3.0522 3.0522 6.2633 6.2633 6.5001 6.5001 6.6541 6.6541 7.2642 7.2642 7.3431 7.3431 k = 0.0247 0.0428-0.0000 ( 9991 PWs) bands (ev): -11.0066 -11.0066 -10.3611 -10.3611 -10.3551 -10.3551 -10.2648 -10.2648 -10.2468 -10.2468 -10.0720 -10.0720 -0.3306 -0.3306 -0.0251 -0.0251 0.2545 0.2545 0.3657 0.3657 0.8145 0.8145 0.9809 0.9809 1.0727 1.0727 1.0976 1.0976 1.3123 1.3123 1.3845 1.3845 1.4455 1.4455 1.6730 1.6730 1.9352 1.9352 1.9972 1.9972 2.3035 2.3035 2.4475 2.4475 3.0302 3.0302 3.0578 3.0578 6.2571 6.2571 6.4983 6.4983 6.6532 6.6532 7.2637 7.2637 7.3414 7.3414 k = 0.0123 0.0214-0.0000 ( 9999 PWs) bands (ev): -11.0082 -11.0082 -10.3586 -10.3586 -10.3517 -10.3517 -10.2667 -10.2667 -10.2480 -10.2480 -10.0731 -10.0731 -0.3310 -0.3310 -0.0271 -0.0271 0.2543 0.2543 0.3662 0.3662 0.8171 0.8171 0.9972 0.9972 1.0854 1.0854 1.0857 1.0857 1.2957 1.2957 1.4000 1.4000 1.4429 1.4429 1.6462 1.6462 1.9429 1.9429 2.0034 2.0034 2.2896 2.2896 2.4513 2.4513 3.0363 3.0363 3.0617 3.0617 6.2533 6.2533 6.4972 6.4972 6.6527 6.6527 7.2631 7.2631 7.3406 7.3406 k = 0.0000 0.0000 0.0000 ( 9991 PWs) bands (ev): -11.0088 -11.0088 -10.3577 -10.3577 -10.3505 -10.3505 -10.2674 -10.2674 -10.2484 -10.2484 -10.0735 -10.0735 -0.3311 -0.3311 -0.0277 -0.0277 0.2542 0.2542 0.3664 0.3664 0.8180 0.8180 1.0040 1.0040 1.0803 1.0803 1.0902 1.0902 1.2896 1.2896 1.4050 1.4050 1.4436 1.4436 1.6359 1.6359 1.9452 1.9452 2.0060 2.0060 2.2847 2.2847 2.4525 2.4525 3.0382 3.0382 3.0631 3.0631 6.2520 6.2520 6.4968 6.4968 6.6525 6.6525 7.2628 7.2628 7.3403 7.3403 k = 0.0000 0.0000 0.0000 ( 9991 PWs) bands (ev): -11.0088 -11.0088 -10.3577 -10.3577 -10.3505 -10.3505 -10.2674 -10.2674 -10.2484 -10.2484 -10.0735 -10.0735 -0.3311 -0.3311 -0.0277 -0.0277 0.2542 0.2542 0.3664 0.3664 0.8180 0.8180 1.0040 1.0040 1.0803 1.0803 1.0902 1.0902 1.2896 1.2896 1.4050 1.4050 1.4436 1.4436 1.6359 1.6359 1.9452 1.9452 2.0060 2.0060 2.2847 2.2847 2.4525 2.4525 3.0382 3.0382 3.0631 3.0631 6.2520 6.2520 6.4968 6.4968 6.6525 6.6525 7.2628 7.2628 7.3403 7.3403 k = 0.0000 0.0000 0.0252 ( 10003 PWs) bands (ev): -11.0082 -11.0082 -10.3577 -10.3577 -10.3505 -10.3505 -10.2675 -10.2675 -10.2485 -10.2485 -10.0737 -10.0737 -0.3306 -0.3306 -0.0263 -0.0263 0.2546 0.2546 0.3663 0.3663 0.8181 0.8181 0.9769 0.9769 1.0667 1.0667 1.1121 1.1121 1.2875 1.2875 1.4178 1.4178 1.4475 1.4475 1.6369 1.6369 1.9466 1.9466 2.0072 2.0072 2.2846 2.2846 2.4508 2.4508 3.0368 3.0368 3.0599 3.0599 6.2535 6.2535 6.4968 6.4968 6.6522 6.6522 7.2623 7.2623 7.3369 7.3369 k = 0.0000 0.0000 0.0505 ( 9991 PWs) bands (ev): -11.0062 -11.0062 -10.3576 -10.3576 -10.3505 -10.3505 -10.2677 -10.2677 -10.2487 -10.2487 -10.0743 -10.0743 -0.3292 -0.3292 -0.0221 -0.0221 0.2558 0.2558 0.3659 0.3659 0.8186 0.8186 0.9260 0.9260 1.0314 1.0314 1.1469 1.1469 1.2815 1.2815 1.4505 1.4505 1.4600 1.4600 1.6404 1.6404 1.9508 1.9508 2.0107 2.0107 2.2844 2.2844 2.4457 2.4457 3.0327 3.0327 3.0504 3.0504 6.2579 6.2579 6.4970 6.4970 6.6514 6.6514 7.2612 7.2612 7.3285 7.3285 k = 0.0000 0.0000 0.0757 ( 9991 PWs) bands (ev): -11.0030 -11.0030 -10.3575 -10.3575 -10.3504 -10.3504 -10.2680 -10.2680 -10.2492 -10.2492 -10.0754 -10.0754 -0.3269 -0.3269 -0.0151 -0.0151 0.2576 0.2576 0.3651 0.3651 0.8193 0.8193 0.8693 0.8693 0.9835 0.9835 1.1754 1.1754 1.2717 1.2717 1.4824 1.4824 1.4921 1.4921 1.6481 1.6481 1.9574 1.9574 2.0162 2.0162 2.2841 2.2841 2.4372 2.4372 3.0260 3.0260 3.0349 3.0349 6.2653 6.2653 6.4974 6.4974 6.6500 6.6500 7.2599 7.2599 7.3184 7.3184 k = 0.0000 0.0000 0.1009 ( 10003 PWs) bands (ev): -10.9986 -10.9986 -10.3573 -10.3573 -10.3503 -10.3503 -10.2685 -10.2685 -10.2499 -10.2499 -10.0770 -10.0770 -0.3237 -0.3237 -0.0054 -0.0054 0.2602 0.2602 0.3638 0.3638 0.8109 0.8109 0.8204 0.8204 0.9293 0.9293 1.1936 1.1936 1.2587 1.2587 1.5152 1.5152 1.5321 1.5321 1.6637 1.6637 1.9663 1.9663 2.0235 2.0235 2.2837 2.2837 2.4254 2.4254 3.0136 3.0136 3.0165 3.0165 6.2755 6.2755 6.4982 6.4982 6.6483 6.6483 7.2594 7.2594 7.3091 7.3091 k = 0.0000 0.0000 0.1262 ( 10015 PWs) bands (ev): -10.9928 -10.9928 -10.3570 -10.3570 -10.3501 -10.3501 -10.2692 -10.2692 -10.2507 -10.2507 -10.0790 -10.0790 -0.3197 -0.3197 0.0070 0.0070 0.2634 0.2634 0.3619 0.3619 0.7522 0.7522 0.8219 0.8219 0.8723 0.8723 1.2020 1.2020 1.2430 1.2430 1.5568 1.5568 1.5615 1.5615 1.6928 1.6928 1.9771 1.9771 2.0320 2.0320 2.2830 2.2830 2.4104 2.4104 2.9872 2.9872 3.0045 3.0045 6.2885 6.2885 6.4994 6.4994 6.6465 6.6465 7.2604 7.2604 7.3021 7.3021 k = 0.0000 0.0000 0.1514 ( 10015 PWs) bands (ev): -10.9859 -10.9859 -10.3567 -10.3567 -10.3499 -10.3499 -10.2699 -10.2699 -10.2517 -10.2517 -10.0814 -10.0814 -0.3147 -0.3147 0.0220 0.0220 0.2670 0.2670 0.3592 0.3592 0.6941 0.6941 0.8144 0.8144 0.8238 0.8238 1.2028 1.2028 1.2253 1.2253 1.5777 1.5777 1.6047 1.6047 1.7355 1.7355 1.9894 1.9894 2.0415 2.0415 2.2822 2.2822 2.3924 2.3924 2.9561 2.9561 2.9899 2.9899 6.3042 6.3042 6.5013 6.5013 6.6448 6.6448 7.2637 7.2637 7.2985 7.2985 k = 0.0000 0.0000 0.1767 ( 10003 PWs) bands (ev): -10.9777 -10.9777 -10.3564 -10.3564 -10.3497 -10.3497 -10.2708 -10.2708 -10.2529 -10.2529 -10.0844 -10.0844 -0.3089 -0.3089 0.0395 0.0395 0.2710 0.2710 0.3552 0.3552 0.6372 0.6372 0.7567 0.7567 0.8262 0.8262 1.1987 1.1987 1.2063 1.2063 1.5850 1.5850 1.6559 1.6559 1.7859 1.7859 2.0029 2.0029 2.0514 2.0514 2.2811 2.2811 2.3716 2.3716 2.9210 2.9210 2.9728 2.9728 6.3225 6.3225 6.5041 6.5041 6.6435 6.6435 7.2697 7.2697 7.2986 7.2986 k = 0.0000 0.0000 0.2019 ( 9979 PWs) bands (ev): -10.9683 -10.9683 -10.3560 -10.3560 -10.3495 -10.3495 -10.2719 -10.2719 -10.2543 -10.2543 -10.0879 -10.0879 -0.3022 -0.3022 0.0593 0.0593 0.2750 0.2750 0.3497 0.3497 0.5821 0.5821 0.7000 0.7000 0.8291 0.8291 1.1867 1.1867 1.1918 1.1918 1.5873 1.5873 1.7085 1.7085 1.8388 1.8388 2.0173 2.0173 2.0614 2.0614 2.2797 2.2797 2.3486 2.3486 2.8826 2.8826 2.9533 2.9533 6.3431 6.3431 6.5082 6.5082 6.6429 6.6429 7.2788 7.2788 7.3028 7.3028 k = 0.0000 0.0000 0.2271 ( 9997 PWs) bands (ev): -10.9578 -10.9578 -10.3555 -10.3555 -10.3492 -10.3492 -10.2730 -10.2730 -10.2558 -10.2558 -10.0919 -10.0919 -0.2947 -0.2947 0.0813 0.0813 0.2791 0.2791 0.3421 0.3421 0.5295 0.5295 0.6448 0.6448 0.8325 0.8325 1.1672 1.1672 1.1838 1.1838 1.5864 1.5864 1.7608 1.7608 1.8906 1.8906 2.0325 2.0325 2.0712 2.0712 2.2780 2.2780 2.3241 2.3241 2.8417 2.8417 2.9316 2.9316 6.3661 6.3661 6.5137 6.5137 6.6434 6.6434 7.2914 7.2914 7.3112 7.3112 k = 0.0000 0.0000 0.2524 ( 9985 PWs) bands (ev): -10.9461 -10.9461 -10.3550 -10.3550 -10.3489 -10.3489 -10.2743 -10.2743 -10.2574 -10.2574 -10.0964 -10.0964 -0.2863 -0.2863 0.1052 0.1052 0.2827 0.2827 0.3315 0.3315 0.4803 0.4803 0.5916 0.5916 0.8365 0.8365 1.1486 1.1486 1.1758 1.1758 1.5830 1.5830 1.8114 1.8114 1.9388 1.9388 2.0484 2.0484 2.0803 2.0803 2.2761 2.2761 2.2994 2.2994 2.7990 2.7990 2.9078 2.9078 6.3912 6.3912 6.5210 6.5210 6.6453 6.6453 7.3075 7.3075 7.3238 7.3238 k = 0.0000 0.0000 0.2776 ( 9967 PWs) bands (ev): -10.9334 -10.9334 -10.3544 -10.3544 -10.3485 -10.3485 -10.2757 -10.2757 -10.2592 -10.2592 -10.1016 -10.1016 -0.2772 -0.2772 0.1306 0.1306 0.2857 0.2857 0.3167 0.3167 0.4356 0.4356 0.5408 0.5408 0.8411 0.8411 1.1317 1.1317 1.1689 1.1689 1.5771 1.5771 1.8593 1.8593 1.9803 1.9803 2.0651 2.0651 2.0886 2.0886 2.2738 2.2738 2.2771 2.2771 2.7550 2.7550 2.8820 2.8820 6.4184 6.4184 6.5303 6.5303 6.6490 6.6490 7.3271 7.3271 7.3405 7.3405 k = 0.0000 0.0000 0.3028 ( 9967 PWs) bands (ev): -10.9196 -10.9196 -10.3538 -10.3538 -10.3481 -10.3481 -10.2772 -10.2772 -10.2612 -10.2612 -10.1073 -10.1073 -0.2671 -0.2671 0.1569 0.1569 0.2878 0.2878 0.2960 0.2960 0.3972 0.3972 0.4933 0.4933 0.8462 0.8462 1.1170 1.1170 1.1636 1.1636 1.5686 1.5686 1.9035 1.9035 2.0112 2.0112 2.0827 2.0827 2.0957 2.0957 2.2607 2.2607 2.2713 2.2713 2.7105 2.7105 2.8544 2.8544 6.4476 6.4476 6.5420 6.5420 6.6549 6.6549 7.3502 7.3502 7.3611 7.3611 k = 0.0000 0.0000 0.3281 ( 9967 PWs) bands (ev): -10.9048 -10.9048 -10.3531 -10.3531 -10.3476 -10.3476 -10.2787 -10.2787 -10.2633 -10.2633 -10.1137 -10.1137 -0.2562 -0.2562 0.1829 0.1829 0.2684 0.2684 0.2885 0.2885 0.3660 0.3660 0.4499 0.4499 0.8520 0.8520 1.1054 1.1054 1.1607 1.1607 1.5572 1.5572 1.9432 1.9432 2.0267 2.0267 2.1014 2.1014 2.1015 2.1015 2.2551 2.2551 2.2687 2.2687 2.6662 2.6662 2.8253 2.8253 6.4786 6.4786 6.5563 6.5563 6.6633 6.6633 7.3766 7.3766 7.3854 7.3854 k = 0.0000 0.0000 0.3533 ( 9967 PWs) bands (ev): -10.8890 -10.8890 -10.3523 -10.3523 -10.3471 -10.3471 -10.2804 -10.2804 -10.2654 -10.2654 -10.1207 -10.1207 -0.2444 -0.2444 0.2065 0.2065 0.2355 0.2355 0.2877 0.2877 0.3406 0.3406 0.4130 0.4130 0.8585 0.8585 1.0971 1.0971 1.1604 1.1604 1.5423 1.5423 1.9778 1.9778 2.0246 2.0246 2.1055 2.1055 2.1213 2.1213 2.2622 2.2622 2.2661 2.2661 2.6228 2.6228 2.7949 2.7949 6.5113 6.5113 6.5735 6.5735 6.6744 6.6744 7.4061 7.4061 7.4131 7.4131 k = 0.0000 0.0000 0.3785 ( 9979 PWs) bands (ev): -10.8723 -10.8723 -10.3515 -10.3515 -10.3465 -10.3465 -10.2822 -10.2822 -10.2677 -10.2677 -10.1284 -10.1284 -0.2316 -0.2316 0.2000 0.2000 0.2229 0.2229 0.2848 0.2848 0.3183 0.3183 0.3871 0.3871 0.8659 0.8659 1.0927 1.0927 1.1631 1.1631 1.5235 1.5235 2.0071 2.0071 2.0090 2.0090 2.1077 2.1077 2.1419 2.1419 2.2638 2.2638 2.2778 2.2778 2.5813 2.5813 2.7635 2.7635 6.5457 6.5457 6.5938 6.5938 6.6887 6.6887 7.4384 7.4384 7.4437 7.4437 k = 0.0000 0.0000 0.4038 ( 9961 PWs) bands (ev): -10.8547 -10.8547 -10.3507 -10.3507 -10.3459 -10.3459 -10.2840 -10.2840 -10.2701 -10.2701 -10.1368 -10.1368 -0.2177 -0.2177 0.1642 0.1642 0.2249 0.2249 0.2798 0.2798 0.2971 0.2971 0.3793 0.3793 0.8744 0.8744 1.0924 1.0924 1.1688 1.1688 1.5005 1.5005 1.9858 1.9858 2.0316 2.0316 2.1077 2.1077 2.1624 2.1624 2.2619 2.2619 2.2950 2.2950 2.5433 2.5433 2.7315 2.7315 6.5817 6.5817 6.6173 6.6173 6.7063 6.7063 7.4730 7.4730 7.4768 7.4768 k = 0.0000 0.0000 0.4290 ( 9955 PWs) bands (ev): -10.8363 -10.8363 -10.3497 -10.3497 -10.3452 -10.3452 -10.2860 -10.2860 -10.2726 -10.2726 -10.1459 -10.1459 -0.2028 -0.2028 0.1295 0.1295 0.2107 0.2107 0.2725 0.2725 0.2757 0.2757 0.3910 0.3910 0.8844 0.8844 1.0960 1.0960 1.1777 1.1777 1.4730 1.4730 1.9595 1.9595 2.0521 2.0521 2.1052 2.1052 2.1814 2.1814 2.2608 2.2608 2.3072 2.3072 2.5118 2.5118 2.6993 2.6993 6.6191 6.6191 6.6442 6.6442 6.7275 6.7275 7.5096 7.5096 7.5120 7.5120 k = 0.0000 0.0000 0.4542 ( 9949 PWs) bands (ev): -10.8172 -10.8172 -10.3488 -10.3488 -10.3444 -10.3444 -10.2879 -10.2879 -10.2751 -10.2751 -10.1557 -10.1557 -0.1867 -0.1867 0.0964 0.0964 0.1871 0.1871 0.2538 0.2538 0.2628 0.2628 0.4152 0.4152 0.8959 0.8959 1.1035 1.1035 1.1898 1.1898 1.4412 1.4412 1.9327 1.9327 2.0695 2.0695 2.1000 2.1000 2.1978 2.1978 2.2607 2.2607 2.3081 2.3081 2.4906 2.4906 2.6674 2.6674 6.6581 6.6581 6.6745 6.6745 6.7522 6.7522 7.5475 7.5475 7.5485 7.5485 k = 0.0000 0.0000 0.4795 ( 9967 PWs) bands (ev): -10.7973 -10.7973 -10.3477 -10.3477 -10.3436 -10.3436 -10.2900 -10.2900 -10.2777 -10.2777 -10.1663 -10.1663 -0.1694 -0.1694 0.0655 0.0655 0.1603 0.1603 0.2312 0.2312 0.2509 0.2509 0.4453 0.4453 0.9094 0.9094 1.1145 1.1145 1.2049 1.2049 1.4053 1.4053 1.9068 1.9068 2.0845 2.0845 2.0921 2.0921 2.2101 2.2101 2.2618 2.2618 2.2943 2.2943 2.4821 2.4821 2.6364 2.6364 6.6984 6.6984 6.7083 6.7083 6.7806 6.7806 7.5858 7.5858 7.5863 7.5863 k = 0.0000 0.0000 0.5047 ( 10015 PWs) bands (ev): -10.7769 -10.7769 -10.3466 -10.3466 -10.3427 -10.3427 -10.2921 -10.2921 -10.2804 -10.2804 -10.1777 -10.1777 -0.1508 -0.1508 0.0369 0.0369 0.1332 0.1332 0.2080 0.2080 0.2370 0.2370 0.4776 0.4776 0.9249 0.9249 1.1287 1.1287 1.2229 1.2229 1.3664 1.3664 1.8823 1.8823 2.0814 2.0814 2.0976 2.0976 2.2176 2.2176 2.2642 2.2642 2.2681 2.2681 2.4834 2.4834 2.6070 2.6070 6.7399 6.7399 6.7454 6.7454 6.8126 6.8126 7.5884 7.5884 7.6229 7.6229 k = 0.0000 0.0000 0.5300 ( 9991 PWs) bands (ev): -10.7558 -10.7558 -10.3455 -10.3455 -10.3418 -10.3418 -10.2943 -10.2943 -10.2831 -10.2831 -10.1898 -10.1898 -0.1308 -0.1308 0.0107 0.0107 0.1075 0.1075 0.1844 0.1844 0.2214 0.2214 0.5101 0.5101 0.9424 0.9424 1.1457 1.1457 1.2436 1.2436 1.3255 1.3255 1.8593 1.8593 2.0682 2.0682 2.1088 2.1088 2.2199 2.2199 2.2342 2.2342 2.2679 2.2679 2.4894 2.4894 2.5798 2.5798 6.7827 6.7827 6.7859 6.7859 6.8481 6.8481 7.5847 7.5847 7.6592 7.6592 k = 0.0000 0.0000 0.5552 ( 9979 PWs) bands (ev): -10.7343 -10.7343 -10.3443 -10.3443 -10.3407 -10.3407 -10.2965 -10.2965 -10.2858 -10.2858 -10.2027 -10.2027 -0.1093 -0.1093 -0.0129 -0.0129 0.0835 0.0835 0.1605 0.1605 0.2043 0.2043 0.5410 0.5410 0.9619 0.9619 1.1651 1.1651 1.2670 1.2670 1.2842 1.2842 1.8375 1.8375 2.0525 2.0525 2.1179 2.1179 2.1966 2.1966 2.2172 2.2172 2.2728 2.2728 2.4963 2.4963 2.5553 2.5553 6.8265 6.8265 6.8296 6.8296 6.8870 6.8870 7.5809 7.5809 7.6934 7.6934 k = 0.0000 0.0000 0.5804 ( 9997 PWs) bands (ev): -10.7123 -10.7123 -10.3430 -10.3430 -10.3396 -10.3396 -10.2987 -10.2987 -10.2886 -10.2886 -10.2164 -10.2164 -0.0863 -0.0863 -0.0339 -0.0339 0.0618 0.0618 0.1365 0.1365 0.1863 0.1863 0.5688 0.5688 0.9831 0.9831 1.1866 1.1866 1.2443 1.2443 1.2928 1.2928 1.8165 1.8165 2.0346 2.0346 2.1230 2.1230 2.1572 2.1572 2.2113 2.2113 2.2790 2.2790 2.5022 2.5022 2.5336 2.5336 6.8712 6.8712 6.8761 6.8761 6.9289 6.9289 7.5771 7.5771 7.7246 7.7246 k = 0.0000 0.0000 0.6057 ( 9997 PWs) bands (ev): -10.6899 -10.6899 -10.3417 -10.3417 -10.3384 -10.3384 -10.3010 -10.3010 -10.2913 -10.2913 -10.2308 -10.2308 -0.0617 -0.0617 -0.0522 -0.0522 0.0424 0.0424 0.1126 0.1126 0.1678 0.1678 0.5916 0.5916 1.0059 1.0059 1.2079 1.2079 1.2098 1.2098 1.3208 1.3208 1.7958 1.7958 2.0149 2.0149 2.1173 2.1173 2.1210 2.1210 2.2062 2.2062 2.2863 2.2863 2.5061 2.5061 2.5145 2.5145 6.9165 6.9165 6.9254 6.9254 6.9737 6.9737 7.5730 7.5730 7.7513 7.7513 k = 0.0000 0.0000 0.6309 ( 9955 PWs) bands (ev): -10.6672 -10.6672 -10.3403 -10.3403 -10.3371 -10.3371 -10.3034 -10.3034 -10.2941 -10.2941 -10.2459 -10.2459 -0.0680 -0.0680 -0.0357 -0.0357 0.0254 0.0254 0.0891 0.0891 0.1491 0.1491 0.6074 0.6074 1.0299 1.0299 1.1773 1.1773 1.2345 1.2345 1.3509 1.3509 1.7751 1.7751 1.9937 1.9937 2.0778 2.0778 2.1086 2.1086 2.2059 2.2059 2.2946 2.2946 2.4976 2.4976 2.5077 2.5077 6.9624 6.9624 6.9769 6.9769 7.0207 7.0207 7.5684 7.5684 7.7723 7.7723 k = 0.0000 0.0000 0.6561 ( 9967 PWs) bands (ev): -10.6443 -10.6443 -10.3388 -10.3388 -10.3358 -10.3358 -10.3059 -10.3059 -10.2968 -10.2968 -10.2617 -10.2617 -0.0811 -0.0811 -0.0084 -0.0084 0.0110 0.0110 0.0661 0.0661 0.1310 0.1310 0.6141 0.6141 1.0546 1.0546 1.1547 1.1547 1.2604 1.2604 1.3829 1.3829 1.7540 1.7540 1.9714 1.9714 2.0391 2.0391 2.0859 2.0859 2.2116 2.2116 2.3039 2.3039 2.4820 2.4820 2.5069 2.5069 7.0084 7.0084 7.0305 7.0305 7.0697 7.0697 7.5631 7.5631 7.7861 7.7861 k = 0.0000 0.0000 0.6814 ( 9967 PWs) bands (ev): -10.6212 -10.6212 -10.3373 -10.3373 -10.3343 -10.3343 -10.3087 -10.3087 -10.2995 -10.2995 -10.2779 -10.2779 -0.0916 -0.0916 -0.0009 -0.0009 0.0194 0.0194 0.0439 0.0439 0.1145 0.1145 0.6102 0.6102 1.0797 1.0797 1.1415 1.1415 1.2873 1.2873 1.4166 1.4166 1.7321 1.7321 1.9484 1.9484 2.0019 2.0019 2.0559 2.0559 2.2211 2.2211 2.3142 2.3142 2.4672 2.4672 2.5036 2.5036 7.0542 7.0542 7.0857 7.0857 7.1201 7.1201 7.5568 7.5568 7.7919 7.7919 k = 0.0000 0.0000 0.7066 ( 9961 PWs) bands (ev): -10.5980 -10.5980 -10.3357 -10.3357 -10.3328 -10.3328 -10.3127 -10.3127 -10.3022 -10.3022 -10.2936 -10.2936 -0.0995 -0.0995 -0.0103 -0.0103 0.0226 0.0226 0.0442 0.0442 0.1033 0.1033 0.5957 0.5957 1.1046 1.1046 1.1380 1.1380 1.3149 1.3149 1.4520 1.4520 1.7093 1.7093 1.9253 1.9253 1.9666 1.9666 2.0211 2.0211 2.2331 2.2331 2.3254 2.3254 2.4526 2.4526 2.4982 2.4982 7.0995 7.0995 7.1422 7.1422 7.1710 7.1710 7.5495 7.5495 7.7895 7.7908 k = 0.0000 0.0000 0.7318 ( 9944 PWs) bands (ev): -10.5748 -10.5748 -10.3341 -10.3341 -10.3311 -10.3311 -10.3213 -10.3213 -10.3055 -10.3055 -10.3048 -10.3048 -0.1049 -0.1049 -0.0172 -0.0172 0.0025 0.0025 0.0539 0.0539 0.1100 0.1100 0.5716 0.5716 1.1285 1.1285 1.1427 1.1427 1.3431 1.3431 1.4888 1.4888 1.6853 1.6853 1.9027 1.9027 1.9339 1.9339 1.9832 1.9832 2.2466 2.2466 2.3373 2.3373 2.4379 2.4379 2.4908 2.4908 7.1439 7.1439 7.1994 7.1994 7.2217 7.2217 7.5412 7.5412 7.7739 7.7739 k = 0.0000 0.0000 0.7571 ( 9962 PWs) bands (ev): -10.5516 -10.5516 -10.3370 -10.3370 -10.3324 -10.3324 -10.3294 -10.3294 -10.3108 -10.3108 -10.3074 -10.3074 -0.1077 -0.1077 -0.0216 -0.0216 -0.0165 -0.0165 0.0460 0.0460 0.1371 0.1371 0.5400 0.5400 1.1509 1.1509 1.1531 1.1531 1.3717 1.3717 1.5268 1.5268 1.6600 1.6600 1.8814 1.8814 1.9043 1.9043 1.9432 1.9432 2.2611 2.2611 2.3499 2.3499 2.4229 2.4229 2.4817 2.4817 7.1868 7.1868 7.2571 7.2571 7.2708 7.2708 7.5326 7.5326 7.7475 7.7475 k = 0.0000 0.0000 0.7823 ( 9938 PWs) bands (ev): -10.5285 -10.5285 -10.3556 -10.3556 -10.3306 -10.3306 -10.3276 -10.3276 -10.3139 -10.3139 -10.3100 -10.3100 -0.1082 -0.1082 -0.0340 -0.0340 -0.0237 -0.0237 0.0335 0.0335 0.1718 0.1718 0.5030 0.5030 1.1667 1.1667 1.1707 1.1707 1.4007 1.4007 1.5661 1.5661 1.6335 1.6335 1.8622 1.8622 1.8786 1.8786 1.9019 1.9019 2.2764 2.2764 2.3631 2.3631 2.4074 2.4074 2.4711 2.4711 7.2278 7.2278 7.3146 7.3146 7.3157 7.3157 7.5252 7.5252 7.7143 7.7143 k = 0.0000 0.0000 0.8076 ( 9914 PWs) bands (ev): -10.5055 -10.5055 -10.3753 -10.3753 -10.3288 -10.3288 -10.3257 -10.3257 -10.3165 -10.3165 -10.3124 -10.3124 -0.1063 -0.1063 -0.0499 -0.0499 -0.0235 -0.0235 0.0208 0.0208 0.2097 0.2097 0.4626 0.4626 1.1808 1.1808 1.1870 1.1870 1.4299 1.4299 1.6059 1.6059 1.6063 1.6063 1.8461 1.8461 1.8573 1.8573 1.8597 1.8597 2.2923 2.2923 2.3768 2.3768 2.3915 2.3915 2.4592 2.4592 7.2663 7.2663 7.3519 7.3519 7.3717 7.3717 7.5230 7.5230 7.6755 7.6755 k = 0.0000 0.0000 0.8328 ( 9914 PWs) bands (ev): -10.4829 -10.4829 -10.3958 -10.3958 -10.3270 -10.3270 -10.3237 -10.3237 -10.3188 -10.3188 -10.3148 -10.3148 -0.1021 -0.1021 -0.0642 -0.0642 -0.0210 -0.0210 0.0091 0.0091 0.2496 0.2496 0.4202 0.4202 1.1933 1.1933 1.1989 1.1989 1.4594 1.4594 1.5773 1.5773 1.6474 1.6474 1.8170 1.8170 1.8341 1.8341 1.8411 1.8411 2.3086 2.3086 2.3752 2.3752 2.3908 2.3908 2.4465 2.4465 7.3015 7.3015 7.3721 7.3721 7.4277 7.4277 7.5326 7.5326 7.6321 7.6321 k = 0.0000 0.0000 0.8580 ( 9902 PWs) bands (ev): -10.4605 -10.4605 -10.4169 -10.4169 -10.3250 -10.3250 -10.3216 -10.3216 -10.3209 -10.3209 -10.3172 -10.3172 -0.0957 -0.0957 -0.0766 -0.0766 -0.0164 -0.0164 -0.0012 -0.0012 0.2911 0.2911 0.3770 0.3770 1.2024 1.2024 1.2056 1.2056 1.4890 1.4890 1.5482 1.5482 1.6892 1.6892 1.7742 1.7742 1.8272 1.8272 1.8305 1.8305 2.3252 2.3252 2.3586 2.3586 2.4050 2.4050 2.4330 2.4330 7.3323 7.3323 7.3722 7.3722 7.4823 7.4823 7.5572 7.5572 7.5851 7.5851 k = 0.0000 0.0000 0.8833 ( 9896 PWs) bands (ev): -10.4384 -10.4384 -10.4384 -10.4384 -10.3230 -10.3230 -10.3230 -10.3230 -10.3194 -10.3194 -10.3194 -10.3194 -0.0872 -0.0872 -0.0872 -0.0872 -0.0097 -0.0097 -0.0097 -0.0097 0.3338 0.3338 0.3338 0.3338 1.2067 1.2067 1.2067 1.2067 1.5186 1.5186 1.5186 1.5186 1.7316 1.7316 1.7316 1.7316 1.8258 1.8258 1.8258 1.8258 2.3419 2.3419 2.3419 2.3419 2.4191 2.4191 2.4191 2.4191 7.3570 7.3570 7.3570 7.3570 7.5349 7.5349 7.5349 7.5349 7.5917 7.5917 k = 0.0000 0.0000 0.8833 ( 9896 PWs) bands (ev): -10.4384 -10.4384 -10.4384 -10.4384 -10.3230 -10.3230 -10.3230 -10.3230 -10.3194 -10.3194 -10.3194 -10.3194 -0.0872 -0.0872 -0.0872 -0.0872 -0.0097 -0.0097 -0.0097 -0.0097 0.3338 0.3338 0.3338 0.3338 1.2067 1.2067 1.2067 1.2067 1.5186 1.5186 1.5186 1.5186 1.7316 1.7316 1.7316 1.7316 1.8258 1.8258 1.8258 1.8258 2.3419 2.3419 2.3419 2.3419 2.4191 2.4191 2.4191 2.4191 7.3570 7.3570 7.3570 7.3570 7.5349 7.5349 7.5349 7.5349 7.5917 7.5917 k = 0.0217 0.0126 0.8833 ( 9904 PWs) bands (ev): -10.4383 -10.4383 -10.4383 -10.4383 -10.3231 -10.3231 -10.3231 -10.3231 -10.3195 -10.3195 -10.3195 -10.3195 -0.0886 -0.0886 -0.0886 -0.0886 -0.0113 -0.0113 -0.0112 -0.0112 0.3374 0.3374 0.3374 0.3374 1.2012 1.2012 1.2012 1.2012 1.5207 1.5207 1.5208 1.5208 1.7254 1.7254 1.7259 1.7259 1.8347 1.8347 1.8351 1.8351 2.3419 2.3419 2.3420 2.3420 2.4197 2.4197 2.4198 2.4198 7.3570 7.3570 7.3570 7.3570 7.5339 7.5339 7.5341 7.5341 7.5915 7.5915 k = 0.0435 0.0251 0.8833 ( 9914 PWs) bands (ev): -10.4379 -10.4379 -10.4379 -10.4379 -10.3233 -10.3233 -10.3232 -10.3232 -10.3196 -10.3196 -10.3196 -10.3196 -0.0933 -0.0933 -0.0931 -0.0931 -0.0154 -0.0154 -0.0149 -0.0149 0.3477 0.3477 0.3479 0.3479 1.1851 1.1851 1.1853 1.1853 1.5266 1.5266 1.5270 1.5270 1.7111 1.7111 1.7144 1.7144 1.8555 1.8555 1.8583 1.8583 2.3417 2.3417 2.3426 2.3426 2.4211 2.4211 2.4222 2.4222 7.3570 7.3570 7.3570 7.3570 7.5307 7.5307 7.5317 7.5317 7.5905 7.5905 k = 0.0652 0.0377 0.8833 ( 9930 PWs) bands (ev): -10.4373 -10.4373 -10.4373 -10.4373 -10.3236 -10.3236 -10.3235 -10.3235 -10.3200 -10.3200 -10.3198 -10.3198 -0.1022 -0.1022 -0.1013 -0.1013 -0.0202 -0.0202 -0.0188 -0.0188 0.3636 0.3636 0.3644 0.3644 1.1600 1.1600 1.1607 1.1607 1.5352 1.5352 1.5361 1.5361 1.6950 1.6950 1.7033 1.7033 1.8815 1.8815 1.8883 1.8883 2.3411 2.3411 2.3443 2.3443 2.4231 2.4231 2.4267 2.4267 7.3569 7.3569 7.3571 7.3571 7.5252 7.5252 7.5281 7.5281 7.5885 7.5885 k = 0.0870 0.0502 0.8833 ( 9938 PWs) bands (ev): -10.4364 -10.4364 -10.4364 -10.4364 -10.3241 -10.3241 -10.3238 -10.3238 -10.3204 -10.3204 -10.3201 -10.3201 -0.1155 -0.1155 -0.1140 -0.1140 -0.0238 -0.0238 -0.0212 -0.0212 0.3838 0.3838 0.3854 0.3854 1.1277 1.1277 1.1294 1.1294 1.5454 1.5454 1.5468 1.5468 1.6803 1.6803 1.6949 1.6949 1.9087 1.9087 1.9206 1.9206 2.3404 2.3404 2.3476 2.3476 2.4255 2.4255 2.4336 2.4336 7.3565 7.3565 7.3571 7.3571 7.5178 7.5178 7.5235 7.5235 7.5854 7.5854 k = 0.1087 0.0628 0.8833 ( 9950 PWs) bands (ev): -10.4353 -10.4353 -10.4353 -10.4353 -10.3247 -10.3247 -10.3242 -10.3242 -10.3210 -10.3210 -10.3205 -10.3205 -0.1329 -0.1329 -0.1309 -0.1309 -0.0251 -0.0251 -0.0212 -0.0212 0.4070 0.4070 0.4096 0.4096 1.0900 1.0900 1.0931 1.0931 1.5562 1.5562 1.5569 1.5569 1.6692 1.6692 1.6899 1.6899 1.9351 1.9351 1.9527 1.9527 2.3399 2.3399 2.3531 2.3531 2.4284 2.4284 2.4432 2.4432 7.3558 7.3558 7.3570 7.3570 7.5091 7.5091 7.5180 7.5180 7.5816 7.5816 k = 0.1304 0.0753 0.8833 ( 9958 PWs) bands (ev): -10.4340 -10.4340 -10.4339 -10.4339 -10.3256 -10.3256 -10.3248 -10.3248 -10.3216 -10.3216 -10.3208 -10.3208 -0.1533 -0.1533 -0.1509 -0.1509 -0.0240 -0.0240 -0.0191 -0.0191 0.4320 0.4320 0.4358 0.4358 1.0488 1.0488 1.0536 1.0536 1.5638 1.5638 1.5669 1.5669 1.6640 1.6640 1.6884 1.6884 1.9588 1.9588 1.9826 1.9826 2.3400 2.3400 2.3611 2.3611 2.4321 2.4321 2.4556 2.4556 7.3543 7.3543 7.3569 7.3569 7.5000 7.5000 7.5115 7.5115 7.5772 7.5772 k = 0.1522 0.0879 0.8833 ( 9960 PWs) bands (ev): -10.4324 -10.4324 -10.4324 -10.4324 -10.3266 -10.3266 -10.3255 -10.3255 -10.3223 -10.3223 -10.3213 -10.3213 -0.1754 -0.1754 -0.1730 -0.1730 -0.0207 -0.0207 -0.0150 -0.0150 0.4580 0.4580 0.4631 0.4631 1.0053 1.0053 1.0122 1.0122 1.5652 1.5652 1.5767 1.5767 1.6663 1.6663 1.6904 1.6904 1.9789 1.9789 2.0087 2.0087 2.3410 2.3410 2.3715 2.3715 2.4375 2.4375 2.4711 2.4711 7.3518 7.3518 7.3564 7.3564 7.4913 7.4913 7.5041 7.5041 7.5727 7.5727 k = 0.1739 0.1004 0.8833 ( 9974 PWs) bands (ev): -10.4307 -10.4307 -10.4306 -10.4306 -10.3277 -10.3277 -10.3263 -10.3263 -10.3231 -10.3231 -10.3217 -10.3217 -0.1984 -0.1984 -0.1961 -0.1961 -0.0156 -0.0156 -0.0092 -0.0092 0.4840 0.4840 0.4903 0.4903 0.9608 0.9608 0.9704 0.9704 1.5609 1.5609 1.5849 1.5849 1.6760 1.6760 1.6956 1.6956 1.9946 1.9946 2.0301 2.0301 2.3431 2.3431 2.3828 2.3828 2.4461 2.4461 2.4895 2.4895 7.3479 7.3479 7.3556 7.3556 7.4839 7.4839 7.4960 7.4960 7.5686 7.5686 k = 0.1957 0.1130 0.8833 ( 9974 PWs) bands (ev): -10.4287 -10.4287 -10.4286 -10.4286 -10.3290 -10.3290 -10.3273 -10.3273 -10.3238 -10.3238 -10.3221 -10.3221 -0.2215 -0.2215 -0.2195 -0.2195 -0.0089 -0.0089 -0.0019 -0.0019 0.5093 0.5093 0.5162 0.5162 0.9167 0.9167 0.9296 0.9296 1.5525 1.5525 1.5909 1.5909 1.6908 1.6908 1.7040 1.7040 2.0056 2.0056 2.0463 2.0463 2.3463 2.3463 2.3929 2.3929 2.4601 2.4601 2.5107 2.5107 7.3423 7.3423 7.3542 7.3542 7.4783 7.4783 7.4874 7.4874 7.5650 7.5650 k = 0.2174 0.1255 0.8833 ( 9970 PWs) bands (ev): -10.4266 -10.4266 -10.4265 -10.4265 -10.3305 -10.3305 -10.3285 -10.3285 -10.3244 -10.3244 -10.3226 -10.3226 -0.2444 -0.2444 -0.2426 -0.2426 -0.0006 -0.0006 0.0068 0.0068 0.5325 0.5325 0.5393 0.5393 0.8744 0.8744 0.8913 0.8913 1.5420 1.5420 1.5945 1.5945 1.7084 1.7084 1.7152 1.7152 2.0122 2.0122 2.0576 2.0576 2.3505 2.3505 2.3999 2.3999 2.4806 2.4806 2.5344 2.5344 7.3350 7.3350 7.3518 7.3518 7.4750 7.4750 7.4789 7.4789 7.5622 7.5622 k = 0.2391 0.1381 0.8833 ( 9962 PWs) bands (ev): -10.4244 -10.4244 -10.4243 -10.4243 -10.3320 -10.3320 -10.3300 -10.3300 -10.3250 -10.3250 -10.3231 -10.3231 -0.2665 -0.2665 -0.2650 -0.2650 0.0093 0.0093 0.0170 0.0170 0.5520 0.5520 0.5574 0.5574 0.8358 0.8358 0.8580 0.8580 1.5306 1.5306 1.5955 1.5955 1.7272 1.7272 1.7285 1.7285 2.0152 2.0152 2.0645 2.0645 2.3554 2.3554 2.4042 2.4042 2.5064 2.5064 2.5598 2.5598 7.3261 7.3261 7.3482 7.3482 7.4711 7.4711 7.4740 7.4740 7.5601 7.5601 k = 0.2609 0.1506 0.8833 ( 9966 PWs) bands (ev): -10.4221 -10.4221 -10.4219 -10.4219 -10.3337 -10.3337 -10.3316 -10.3316 -10.3255 -10.3255 -10.3236 -10.3236 -0.2876 -0.2876 -0.2864 -0.2864 0.0206 0.0206 0.0285 0.0285 0.5650 0.5650 0.5676 0.5676 0.8039 0.8039 0.8326 0.8326 1.5188 1.5188 1.5940 1.5940 1.7434 1.7434 1.7461 1.7461 2.0153 2.0153 2.0679 2.0679 2.3608 2.3608 2.4067 2.4067 2.5353 2.5353 2.5862 2.5862 7.3161 7.3161 7.3430 7.3430 7.4645 7.4645 7.4748 7.4748 7.5590 7.5590 k = 0.2826 0.1632 0.8833 ( 9974 PWs) bands (ev): -10.4196 -10.4196 -10.4195 -10.4195 -10.3354 -10.3354 -10.3333 -10.3333 -10.3260 -10.3260 -10.3241 -10.3241 -0.3075 -0.3075 -0.3066 -0.3066 0.0335 0.0335 0.0414 0.0414 0.5668 0.5668 0.5677 0.5677 0.7827 0.7827 0.8180 0.8180 1.5073 1.5073 1.5902 1.5902 1.7590 1.7590 1.7647 1.7647 2.0135 2.0135 2.0686 2.0686 2.3664 2.3664 2.4082 2.4082 2.5657 2.5657 2.6129 2.6129 7.3056 7.3056 7.3363 7.3363 7.4595 7.4595 7.4770 7.4770 7.5588 7.5588 k = 0.3043 0.1757 0.8833 ( 9970 PWs) bands (ev): -10.4172 -10.4172 -10.4170 -10.4170 -10.3372 -10.3372 -10.3351 -10.3351 -10.3264 -10.3264 -10.3245 -10.3245 -0.3260 -0.3260 -0.3253 -0.3253 0.0479 0.0479 0.0557 0.0557 0.5539 0.5539 0.5573 0.5573 0.7748 0.7748 0.8151 0.8151 1.4962 1.4962 1.5841 1.5841 1.7748 1.7748 1.7822 1.7822 2.0107 2.0107 2.0671 2.0671 2.3722 2.3722 2.4092 2.4092 2.5961 2.5961 2.6389 2.6389 7.2951 7.2951 7.3281 7.3281 7.4563 7.4563 7.4799 7.4799 7.5594 7.5594 k = 0.3261 0.1883 0.8833 ( 9966 PWs) bands (ev): -10.4147 -10.4147 -10.4145 -10.4145 -10.3390 -10.3390 -10.3370 -10.3370 -10.3268 -10.3268 -10.3250 -10.3250 -0.3429 -0.3429 -0.3424 -0.3424 0.0638 0.0638 0.0715 0.0715 0.5313 0.5313 0.5352 0.5352 0.7789 0.7789 0.8215 0.8215 1.4860 1.4860 1.5760 1.5760 1.7902 1.7902 1.7983 1.7983 2.0076 2.0076 2.0641 2.0641 2.3779 2.3779 2.4099 2.4099 2.6255 2.6255 2.6637 2.6637 7.2852 7.2852 7.3188 7.3188 7.4547 7.4547 7.4829 7.4829 7.5607 7.5607 k = 0.3478 0.2008 0.8833 ( 9954 PWs) bands (ev): -10.4123 -10.4123 -10.4120 -10.4120 -10.3408 -10.3408 -10.3390 -10.3390 -10.3271 -10.3271 -10.3255 -10.3255 -0.3581 -0.3581 -0.3578 -0.3578 0.0812 0.0812 0.0887 0.0887 0.5024 0.5024 0.5056 0.5056 0.7908 0.7908 0.8334 0.8334 1.4771 1.4771 1.5661 1.5661 1.8048 1.8048 1.8128 1.8128 2.0049 2.0049 2.0598 2.0598 2.3835 2.3835 2.4105 2.4105 2.6531 2.6531 2.6865 2.6865 7.2761 7.2761 7.3089 7.3089 7.4545 7.4545 7.4855 7.4855 7.5628 7.5628 k = 0.3696 0.2134 0.8833 ( 9970 PWs) bands (ev): -10.4100 -10.4100 -10.4097 -10.4097 -10.3426 -10.3426 -10.3409 -10.3409 -10.3273 -10.3273 -10.3259 -10.3259 -0.3714 -0.3714 -0.3713 -0.3713 0.1002 0.1002 0.1074 0.1074 0.4704 0.4704 0.4723 0.4723 0.8065 0.8065 0.8474 0.8474 1.4698 1.4698 1.5545 1.5545 1.8181 1.8181 1.8254 1.8254 2.0030 2.0030 2.0547 2.0547 2.3888 2.3888 2.4111 2.4111 2.6783 2.6783 2.7070 2.7070 7.2683 7.2683 7.2988 7.2988 7.4555 7.4555 7.4871 7.4871 7.5654 7.5654 k = 0.3913 0.2259 0.8833 ( 9970 PWs) bands (ev): -10.4078 -10.4078 -10.4075 -10.4075 -10.3442 -10.3442 -10.3427 -10.3427 -10.3275 -10.3275 -10.3263 -10.3263 -0.3829 -0.3829 -0.3828 -0.3828 0.1205 0.1205 0.1273 0.1273 0.4371 0.4371 0.4378 0.4378 0.8236 0.8236 0.8611 0.8611 1.4645 1.4645 1.5418 1.5418 1.8298 1.8298 1.8361 1.8361 2.0022 2.0022 2.0490 2.0490 2.3937 2.3937 2.4116 2.4116 2.7007 2.7007 2.7246 2.7246 7.2618 7.2618 7.2890 7.2890 7.4573 7.4573 7.4874 7.4874 7.5683 7.5683 k = 0.4130 0.2385 0.8833 ( 9974 PWs) bands (ev): -10.4059 -10.4059 -10.4056 -10.4056 -10.3456 -10.3456 -10.3444 -10.3444 -10.3277 -10.3277 -10.3267 -10.3267 -0.3923 -0.3923 -0.3923 -0.3923 0.1420 0.1420 0.1484 0.1484 0.4036 0.4036 0.4040 0.4040 0.8403 0.8403 0.8729 0.8729 1.4617 1.4617 1.5283 1.5283 1.8397 1.8397 1.8447 1.8447 2.0028 2.0028 2.0429 2.0429 2.3981 2.3981 2.4119 2.4119 2.7199 2.7199 2.7390 2.7390 7.2570 7.2570 7.2798 7.2798 7.4598 7.4598 7.4865 7.4865 7.5712 7.5712 k = 0.4348 0.2510 0.8833 ( 9978 PWs) bands (ev): -10.4042 -10.4042 -10.4040 -10.4040 -10.3468 -10.3468 -10.3458 -10.3458 -10.3278 -10.3278 -10.3270 -10.3270 -0.3998 -0.3998 -0.3998 -0.3998 0.1644 0.1644 0.1701 0.1701 0.3710 0.3710 0.3723 0.3723 0.8556 0.8556 0.8819 0.8819 1.4616 1.4616 1.5145 1.5145 1.8476 1.8476 1.8513 1.8513 2.0048 2.0048 2.0365 2.0365 2.4020 2.4020 2.4120 2.4120 2.7357 2.7357 2.7500 2.7500 7.2539 7.2539 7.2716 7.2716 7.4629 7.4629 7.4844 7.4844 7.5740 7.5740 k = 0.4565 0.2636 0.8833 ( 9982 PWs) bands (ev): -10.4030 -10.4030 -10.4028 -10.4028 -10.3477 -10.3477 -10.3470 -10.3470 -10.3278 -10.3278 -10.3273 -10.3273 -0.4052 -0.4052 -0.4051 -0.4051 0.1866 0.1866 0.1913 0.1913 0.3416 0.3416 0.3434 0.3434 0.8687 0.8687 0.8871 0.8871 1.4644 1.4644 1.5012 1.5012 1.8534 1.8534 1.8558 1.8558 2.0081 2.0081 2.0301 2.0301 2.4053 2.4053 2.4118 2.4118 2.7477 2.7477 2.7573 2.7573 7.2526 7.2526 7.2647 7.2647 7.4663 7.4663 7.4814 7.4814 7.5764 7.5764 k = 0.4783 0.2761 0.8833 ( 9982 PWs) bands (ev): -10.4022 -10.4022 -10.4021 -10.4021 -10.3481 -10.3481 -10.3478 -10.3478 -10.3277 -10.3277 -10.3275 -10.3275 -0.4084 -0.4084 -0.4083 -0.4083 0.2059 0.2059 0.2090 0.2090 0.3186 0.3186 0.3202 0.3202 0.8789 0.8789 0.8884 0.8884 1.4700 1.4700 1.4890 1.4890 1.8571 1.8571 1.8582 1.8582 2.0126 2.0126 2.0238 2.0238 2.4078 2.4078 2.4110 2.4110 2.7560 2.7560 2.7608 2.7608 7.2531 7.2531 7.2592 7.2592 7.4701 7.4701 7.4778 7.4778 7.5781 7.5781 k = 0.5000 0.2887 0.8833 ( 9972 PWs) bands (ev): -10.4018 -10.4018 -10.4018 -10.4018 -10.3482 -10.3482 -10.3482 -10.3482 -10.3276 -10.3276 -10.3276 -10.3276 -0.4094 -0.4094 -0.4094 -0.4094 0.2156 0.2156 0.2156 0.2156 0.3097 0.3097 0.3097 0.3097 0.8856 0.8856 0.8856 0.8856 1.4784 1.4784 1.4784 1.4784 1.8587 1.8587 1.8587 1.8587 2.0179 2.0179 2.0179 2.0179 2.4098 2.4098 2.4098 2.4098 2.7603 2.7603 2.7603 2.7603 7.2553 7.2553 7.2553 7.2553 7.4740 7.4740 7.4740 7.4740 7.5790 7.5790 k = 0.5000 0.2887 0.8833 ( 9972 PWs) bands (ev): -10.4018 -10.4018 -10.4018 -10.4018 -10.3482 -10.3482 -10.3482 -10.3482 -10.3276 -10.3276 -10.3276 -10.3276 -0.4094 -0.4094 -0.4094 -0.4094 0.2156 0.2156 0.2156 0.2156 0.3097 0.3097 0.3097 0.3097 0.8856 0.8856 0.8856 0.8856 1.4784 1.4784 1.4784 1.4784 1.8587 1.8587 1.8587 1.8587 2.0179 2.0179 2.0179 2.0179 2.4098 2.4098 2.4098 2.4098 2.7603 2.7603 2.7603 2.7603 7.2553 7.2553 7.2553 7.2553 7.4740 7.4740 7.4740 7.4740 7.5790 7.5790 k = 0.4881 0.3093 0.8833 ( 9976 PWs) bands (ev): -10.4020 -10.4020 -10.4016 -10.4016 -10.3482 -10.3482 -10.3481 -10.3481 -10.3278 -10.3278 -10.3276 -10.3276 -0.4100 -0.4100 -0.4075 -0.4075 0.2065 0.2065 0.2215 0.2215 0.3043 0.3043 0.3115 0.3115 0.8855 0.8855 0.8932 0.8932 1.4766 1.4766 1.4800 1.4800 1.8532 1.8532 1.8614 1.8614 2.0128 2.0128 2.0221 2.0221 2.4047 2.4047 2.4175 2.4175 2.7542 2.7542 2.7657 2.7657 7.2471 7.2471 7.2643 7.2643 7.4685 7.4685 7.4800 7.4800 7.5750 7.5750 k = 0.4762 0.3299 0.8833 ( 9958 PWs) bands (ev): -10.4020 -10.4020 -10.4013 -10.4013 -10.3481 -10.3481 -10.3479 -10.3479 -10.3282 -10.3282 -10.3277 -10.3277 -0.4094 -0.4094 -0.4044 -0.4044 0.1940 0.1940 0.2243 0.2243 0.2953 0.2953 0.3103 0.3103 0.8928 0.8928 0.9079 0.9079 1.4749 1.4749 1.4815 1.4815 1.8458 1.8458 1.8607 1.8607 2.0081 2.0081 2.0248 2.0248 2.4026 2.4026 2.4276 2.4276 2.7473 2.7473 2.7702 2.7702 7.2399 7.2399 7.2740 7.2740 7.4637 7.4637 7.4862 7.4862 7.5717 7.5717 k = 0.4643 0.3505 0.8833 ( 9966 PWs) bands (ev): -10.4019 -10.4019 -10.4009 -10.4009 -10.3480 -10.3480 -10.3477 -10.3477 -10.3288 -10.3288 -10.3281 -10.3281 -0.4076 -0.4076 -0.4000 -0.4000 0.1782 0.1782 0.2241 0.2241 0.2833 0.2833 0.3071 0.3071 0.9070 0.9070 0.9287 0.9287 1.4731 1.4731 1.4827 1.4827 1.8368 1.8368 1.8555 1.8555 2.0050 2.0050 2.0257 2.0257 2.4033 2.4033 2.4397 2.4397 2.7395 2.7395 2.7740 2.7740 7.2336 7.2336 7.2843 7.2843 7.4598 7.4598 7.4924 7.4924 7.5693 7.5693 k = 0.4524 0.3712 0.8833 ( 9964 PWs) bands (ev): -10.4017 -10.4017 -10.4004 -10.4004 -10.3477 -10.3477 -10.3473 -10.3473 -10.3295 -10.3295 -10.3285 -10.3285 -0.4047 -0.4047 -0.3944 -0.3944 0.1597 0.1597 0.2208 0.2208 0.2695 0.2695 0.3026 0.3026 0.9268 0.9268 0.9542 0.9542 1.4713 1.4713 1.4834 1.4834 1.8264 1.8264 1.8453 1.8453 2.0044 2.0044 2.0249 2.0249 2.4064 2.4064 2.4535 2.4535 2.7310 2.7310 2.7771 2.7771 7.2282 7.2282 7.2947 7.2947 7.4568 7.4568 7.4981 7.4981 7.5677 7.5677 k = 0.4405 0.3918 0.8833 ( 9964 PWs) bands (ev): -10.4015 -10.4015 -10.3998 -10.3998 -10.3474 -10.3474 -10.3469 -10.3469 -10.3304 -10.3304 -10.3292 -10.3292 -0.4010 -0.4010 -0.3879 -0.3879 0.1392 0.1392 0.2140 0.2140 0.2558 0.2558 0.2974 0.2974 0.9511 0.9511 0.9832 0.9832 1.4695 1.4695 1.4834 1.4834 1.8148 1.8148 1.8305 1.8305 2.0065 2.0065 2.0230 2.0230 2.4116 2.4116 2.4684 2.4684 2.7217 2.7217 2.7796 2.7796 7.2236 7.2236 7.3051 7.3051 7.4547 7.4547 7.5031 7.5031 7.5668 7.5668 k = 0.4286 0.4124 0.8833 ( 9976 PWs) bands (ev): -10.4011 -10.4011 -10.3991 -10.3991 -10.3471 -10.3471 -10.3465 -10.3465 -10.3314 -10.3314 -10.3299 -10.3299 -0.3966 -0.3966 -0.3806 -0.3806 0.1176 0.1176 0.2034 0.2034 0.2439 0.2439 0.2918 0.2918 0.9783 0.9783 1.0146 1.0146 1.4675 1.4675 1.4825 1.4825 1.8024 1.8024 1.8121 1.8121 2.0109 2.0109 2.0205 2.0205 2.4183 2.4183 2.4842 2.4842 2.7117 2.7117 2.7815 2.7815 7.2197 7.2197 7.3150 7.3150 7.4535 7.4535 7.5074 7.5074 7.5668 7.5668 k = 0.4167 0.4330 0.8833 ( 9984 PWs) bands (ev): -10.4007 -10.4007 -10.3985 -10.3985 -10.3466 -10.3466 -10.3460 -10.3460 -10.3325 -10.3325 -10.3308 -10.3308 -0.3919 -0.3919 -0.3727 -0.3727 0.0960 0.0960 0.1900 0.1900 0.2342 0.2342 0.2861 0.2861 1.0074 1.0074 1.0472 1.0472 1.4651 1.4651 1.4804 1.4804 1.7894 1.7894 1.7912 1.7912 2.0168 2.0168 2.0178 2.0178 2.4259 2.4259 2.5006 2.5006 2.7011 2.7011 2.7831 2.7831 7.2165 7.2165 7.3239 7.3239 7.4530 7.4530 7.5108 7.5108 7.5678 7.5678 k = 0.4048 0.4536 0.8833 ( 9988 PWs) bands (ev): -10.4003 -10.4003 -10.3977 -10.3977 -10.3461 -10.3461 -10.3454 -10.3454 -10.3337 -10.3337 -10.3317 -10.3317 -0.3870 -0.3870 -0.3648 -0.3648 0.0753 0.0753 0.1759 0.1759 0.2257 0.2257 0.2804 0.2804 1.0369 1.0369 1.0800 1.0800 1.4623 1.4623 1.4770 1.4770 1.7692 1.7692 1.7766 1.7766 2.0153 2.0153 2.0235 2.0235 2.4337 2.4337 2.5172 2.5172 2.6900 2.6900 2.7844 2.7844 7.2138 7.2138 7.3318 7.3318 7.4531 7.4531 7.5134 7.5134 7.5696 7.5696 k = 0.3929 0.4743 0.8833 ( 9992 PWs) bands (ev): -10.3998 -10.3998 -10.3970 -10.3970 -10.3455 -10.3455 -10.3448 -10.3448 -10.3349 -10.3349 -10.3327 -10.3327 -0.3824 -0.3824 -0.3570 -0.3570 0.0564 0.0564 0.1628 0.1628 0.2178 0.2178 0.2748 0.2748 1.0659 1.0659 1.1118 1.1118 1.4587 1.4587 1.4721 1.4721 1.7475 1.7475 1.7644 1.7644 2.0133 2.0133 2.0303 2.0303 2.4413 2.4413 2.5337 2.5337 2.6785 2.6785 2.7855 2.7855 7.2115 7.2115 7.3383 7.3383 7.4534 7.4534 7.5153 7.5153 7.5723 7.5723 k = 0.3810 0.4949 0.8833 ( 10016 PWs) bands (ev): -10.3994 -10.3994 -10.3964 -10.3964 -10.3449 -10.3449 -10.3443 -10.3443 -10.3361 -10.3361 -10.3337 -10.3337 -0.3782 -0.3782 -0.3500 -0.3500 0.0401 0.0401 0.1521 0.1521 0.2101 0.2101 0.2696 0.2696 1.0929 1.0929 1.1416 1.1416 1.4543 1.4543 1.4658 1.4658 1.7275 1.7275 1.7536 1.7536 2.0118 2.0118 2.0368 2.0368 2.4481 2.4481 2.5499 2.5499 2.6667 2.6667 2.7864 2.7864 7.2097 7.2097 7.3434 7.3434 7.4537 7.4537 7.5167 7.5167 7.5756 7.5756 k = 0.3690 0.5155 0.8833 ( 10016 PWs) bands (ev): -10.3990 -10.3990 -10.3958 -10.3958 -10.3443 -10.3443 -10.3437 -10.3437 -10.3373 -10.3373 -10.3346 -10.3346 -0.3749 -0.3749 -0.3441 -0.3441 0.0271 0.0271 0.1445 0.1445 0.2027 0.2027 0.2650 0.2650 1.1166 1.1166 1.1679 1.1679 1.4490 1.4490 1.4588 1.4588 1.7104 1.7104 1.7448 1.7448 2.0109 2.0109 2.0423 2.0423 2.4538 2.4538 2.5654 2.5654 2.6551 2.6551 2.7873 2.7873 7.2082 7.2082 7.3471 7.3471 7.4539 7.4539 7.5176 7.5176 7.5790 7.5790 k = 0.3571 0.5361 0.8833 ( 10006 PWs) bands (ev): -10.3986 -10.3986 -10.3953 -10.3953 -10.3437 -10.3437 -10.3433 -10.3433 -10.3384 -10.3384 -10.3354 -10.3354 -0.3725 -0.3725 -0.3397 -0.3397 0.0179 0.0179 0.1403 0.1403 0.1958 0.1958 0.2612 0.2612 1.1355 1.1355 1.1890 1.1890 1.4436 1.4436 1.4519 1.4519 1.6975 1.6975 1.7385 1.7385 2.0103 2.0103 2.0466 2.0466 2.4580 2.4580 2.5793 2.5793 2.6440 2.6440 2.7881 2.7881 7.2071 7.2071 7.3496 7.3496 7.4540 7.4540 7.5182 7.5182 7.5820 7.5820 k = 0.3452 0.5567 0.8833 ( 10010 PWs) bands (ev): -10.3984 -10.3984 -10.3950 -10.3950 -10.3432 -10.3432 -10.3430 -10.3430 -10.3391 -10.3391 -10.3359 -10.3359 -0.3711 -0.3711 -0.3371 -0.3371 0.0126 0.0126 0.1390 0.1390 0.1903 0.1903 0.2585 0.2585 1.1479 1.1479 1.2031 1.2031 1.4392 1.4392 1.4468 1.4468 1.6895 1.6895 1.7348 1.7348 2.0100 2.0100 2.0494 2.0494 2.4606 2.4606 2.5903 2.5903 2.6348 2.6348 2.7887 2.7887 7.2064 7.2064 7.3509 7.3509 7.4540 7.4540 7.5185 7.5185 7.5842 7.5842 k = 0.3333 0.5774 0.8833 ( 10026 PWs) bands (ev): -10.3983 -10.3983 -10.3949 -10.3949 -10.3430 -10.3430 -10.3429 -10.3429 -10.3394 -10.3394 -10.3360 -10.3360 -0.3707 -0.3707 -0.3363 -0.3363 0.0109 0.0109 0.1391 0.1391 0.1879 0.1879 0.2575 0.2575 1.1522 1.1522 1.2081 1.2081 1.4374 1.4374 1.4448 1.4448 1.6868 1.6868 1.7336 1.7336 2.0100 2.0100 2.0503 2.0503 2.4615 2.4615 2.5949 2.5949 2.6309 2.6309 2.7890 2.7890 7.2062 7.2062 7.3513 7.3513 7.4540 7.4540 7.5185 7.5185 7.5849 7.5849 k = 0.3333 0.5774 0.8833 ( 10026 PWs) bands (ev): -10.3983 -10.3983 -10.3949 -10.3949 -10.3430 -10.3430 -10.3429 -10.3429 -10.3394 -10.3394 -10.3360 -10.3360 -0.3707 -0.3707 -0.3363 -0.3363 0.0109 0.0109 0.1391 0.1391 0.1879 0.1879 0.2575 0.2575 1.1522 1.1522 1.2081 1.2081 1.4374 1.4374 1.4448 1.4448 1.6868 1.6868 1.7336 1.7336 2.0100 2.0100 2.0503 2.0503 2.4615 2.4615 2.5949 2.5949 2.6309 2.6309 2.7890 2.7890 7.2062 7.2062 7.3513 7.3513 7.4540 7.4540 7.5185 7.5185 7.5849 7.5849 k = 0.3210 0.5560 0.8833 ( 10010 PWs) bands (ev): -10.3984 -10.3984 -10.3950 -10.3950 -10.3432 -10.3432 -10.3430 -10.3430 -10.3391 -10.3391 -10.3359 -10.3359 -0.3711 -0.3711 -0.3371 -0.3371 0.0124 0.0124 0.1380 0.1380 0.1914 0.1914 0.2588 0.2588 1.1475 1.1475 1.2026 1.2026 1.4395 1.4395 1.4471 1.4471 1.6896 1.6896 1.7348 1.7348 2.0100 2.0100 2.0492 2.0492 2.4606 2.4606 2.5905 2.5905 2.6345 2.6345 2.7886 2.7886 7.2065 7.2065 7.3509 7.3509 7.4541 7.4541 7.5185 7.5185 7.5840 7.5840 k = 0.3086 0.5346 0.8833 ( 10014 PWs) bands (ev): -10.3988 -10.3988 -10.3955 -10.3955 -10.3434 -10.3434 -10.3432 -10.3432 -10.3385 -10.3385 -10.3354 -10.3354 -0.3719 -0.3719 -0.3390 -0.3390 0.0161 0.0161 0.1338 0.1338 0.2027 0.2027 0.2631 0.2631 1.1339 1.1339 1.1872 1.1872 1.4455 1.4455 1.4537 1.4537 1.6974 1.6974 1.7380 1.7380 2.0101 2.0101 2.0459 2.0459 2.4580 2.4580 2.5812 2.5812 2.6413 2.6413 2.7872 2.7872 7.2074 7.2074 7.3499 7.3499 7.4544 7.4544 7.5183 7.5183 7.5813 7.5813 k = 0.2963 0.5132 0.8833 ( 9998 PWs) bands (ev): -10.3994 -10.3994 -10.3962 -10.3962 -10.3435 -10.3435 -10.3433 -10.3433 -10.3376 -10.3376 -10.3347 -10.3347 -0.3728 -0.3728 -0.3413 -0.3413 0.0208 0.0208 0.1270 0.1270 0.2209 0.2209 0.2712 0.2712 1.1128 1.1128 1.1639 1.1639 1.4540 1.4540 1.4636 1.4636 1.7094 1.7094 1.7427 1.7427 2.0103 2.0103 2.0404 2.0404 2.4538 2.4538 2.5705 2.5705 2.6475 2.6475 2.7845 2.7845 7.2092 7.2092 7.3485 7.3485 7.4551 7.4551 7.5180 7.5180 7.5768 7.5768 k = 0.2840 0.4918 0.8833 ( 9998 PWs) bands (ev): -10.4002 -10.4002 -10.3973 -10.3973 -10.3434 -10.3434 -10.3432 -10.3432 -10.3367 -10.3367 -10.3339 -10.3339 -0.3733 -0.3733 -0.3436 -0.3436 0.0253 0.0253 0.1187 0.1187 0.2446 0.2446 0.2835 0.2835 1.0862 1.0862 1.1351 1.1351 1.4638 1.4638 1.4755 1.4755 1.7247 1.7247 1.7484 1.7484 2.0105 2.0105 2.0328 2.0328 2.4484 2.4484 2.5595 2.5595 2.6516 2.6516 2.7800 2.7800 7.2118 7.2118 7.3468 7.3468 7.4562 7.4562 7.5175 7.5175 7.5709 7.5709 k = 0.2716 0.4704 0.8833 ( 10000 PWs) bands (ev): -10.4014 -10.4014 -10.3988 -10.3988 -10.3431 -10.3431 -10.3430 -10.3430 -10.3357 -10.3357 -10.3331 -10.3331 -0.3731 -0.3731 -0.3453 -0.3453 0.0287 0.0287 0.1097 0.1097 0.2725 0.2725 0.3004 0.3004 1.0558 1.0558 1.1027 1.1027 1.4739 1.4739 1.4881 1.4881 1.7422 1.7422 1.7543 1.7543 2.0110 2.0110 2.0233 2.0233 2.4420 2.4420 2.5487 2.5487 2.6531 2.6531 2.7733 2.7733 7.2155 7.2155 7.3452 7.3452 7.4577 7.4577 7.5168 7.5168 7.5641 7.5641 k = 0.2593 0.4491 0.8833 ( 9996 PWs) bands (ev): -10.4029 -10.4029 -10.4005 -10.4005 -10.3426 -10.3426 -10.3424 -10.3424 -10.3347 -10.3347 -10.3321 -10.3321 -0.3718 -0.3718 -0.3458 -0.3458 0.0304 0.0304 0.1003 0.1003 0.3038 0.3038 0.3219 0.3219 1.0229 1.0229 1.0681 1.0681 1.4838 1.4838 1.5006 1.5006 1.7599 1.7599 1.7607 1.7607 2.0119 2.0119 2.0124 2.0124 2.4348 2.4348 2.5383 2.5383 2.6514 2.6514 2.7642 2.7642 7.2204 7.2204 7.3438 7.3438 7.4595 7.4595 7.5158 7.5158 7.5568 7.5568 k = 0.2469 0.4277 0.8833 ( 9992 PWs) bands (ev): -10.4046 -10.4046 -10.4025 -10.4025 -10.3419 -10.3419 -10.3416 -10.3416 -10.3337 -10.3337 -10.3312 -10.3312 -0.3691 -0.3691 -0.3448 -0.3448 0.0304 0.0304 0.0907 0.0907 0.3379 0.3379 0.3474 0.3474 0.9887 0.9887 1.0326 1.0326 1.4932 1.4932 1.5125 1.5125 1.7645 1.7645 1.7788 1.7788 2.0008 2.0008 2.0135 2.0135 2.4272 2.4272 2.5282 2.5282 2.6465 2.6465 2.7524 2.7524 7.2264 7.2264 7.3428 7.3428 7.4617 7.4617 7.5143 7.5143 7.5497 7.5497 k = 0.2346 0.4063 0.8833 ( 9988 PWs) bands (ev): -10.4065 -10.4065 -10.4047 -10.4047 -10.3411 -10.3411 -10.3406 -10.3406 -10.3327 -10.3327 -10.3303 -10.3303 -0.3647 -0.3647 -0.3421 -0.3421 0.0288 0.0288 0.0811 0.0811 0.3740 0.3740 0.3763 0.3763 0.9540 0.9540 0.9971 0.9971 1.5023 1.5023 1.5235 1.5235 1.7673 1.7673 1.7951 1.7951 1.9897 1.9897 2.0158 2.0158 2.4194 2.4194 2.5185 2.5185 2.6381 2.6381 2.7378 2.7378 7.2337 7.2337 7.3424 7.3424 7.4641 7.4641 7.5121 7.5121 7.5432 7.5432 k = 0.2222 0.3849 0.8833 ( 9970 PWs) bands (ev): -10.4086 -10.4086 -10.4070 -10.4070 -10.3401 -10.3401 -10.3394 -10.3394 -10.3316 -10.3316 -10.3294 -10.3294 -0.3586 -0.3586 -0.3374 -0.3374 0.0259 0.0259 0.0715 0.0715 0.4075 0.4075 0.4115 0.4115 0.9199 0.9199 0.9625 0.9625 1.5111 1.5111 1.5335 1.5335 1.7680 1.7680 1.8074 1.8074 1.9808 1.9808 2.0191 2.0191 2.4115 2.4115 2.5090 2.5090 2.6263 2.6263 2.7205 2.7205 7.2423 7.2423 7.3426 7.3426 7.4665 7.4665 7.5089 7.5089 7.5378 7.5378 k = 0.2099 0.3635 0.8833 ( 9966 PWs) bands (ev): -10.4108 -10.4108 -10.4095 -10.4095 -10.3389 -10.3389 -10.3381 -10.3381 -10.3306 -10.3306 -10.3285 -10.3285 -0.3505 -0.3505 -0.3307 -0.3307 0.0219 0.0219 0.0620 0.0620 0.4399 0.4399 0.4493 0.4493 0.8873 0.8873 0.9296 0.9296 1.5196 1.5196 1.5424 1.5424 1.7663 1.7663 1.8136 1.8136 1.9758 1.9758 2.0232 2.0232 2.4038 2.4038 2.4996 2.4996 2.6113 2.6113 2.7003 2.7003 7.2521 7.2521 7.3434 7.3434 7.4688 7.4688 7.5046 7.5046 7.5339 7.5339 k = 0.1975 0.3421 0.8833 ( 9962 PWs) bands (ev): -10.4131 -10.4131 -10.4120 -10.4120 -10.3376 -10.3376 -10.3367 -10.3367 -10.3296 -10.3296 -10.3276 -10.3276 -0.3404 -0.3404 -0.3219 -0.3219 0.0172 0.0172 0.0527 0.0527 0.4721 0.4721 0.4862 0.4862 0.8575 0.8575 0.8999 0.8999 1.5279 1.5279 1.5502 1.5502 1.7621 1.7621 1.8122 1.8122 1.9764 1.9764 2.0278 2.0278 2.3964 2.3964 2.4901 2.4901 2.5934 2.5934 2.6777 2.6777 7.2629 7.2629 7.3447 7.3447 7.4709 7.4709 7.4993 7.4993 7.5320 7.5320 k = 0.1852 0.3208 0.8833 ( 9958 PWs) bands (ev): -10.4155 -10.4155 -10.4146 -10.4146 -10.3363 -10.3363 -10.3353 -10.3353 -10.3287 -10.3287 -10.3267 -10.3267 -0.3283 -0.3283 -0.3110 -0.3110 0.0119 0.0119 0.0435 0.0435 0.5020 0.5020 0.5199 0.5199 0.8328 0.8328 0.8749 0.8749 1.5360 1.5360 1.5569 1.5569 1.7555 1.7555 1.8033 1.8033 1.9820 1.9820 2.0326 2.0326 2.3893 2.3893 2.4804 2.4804 2.5731 2.5731 2.6530 2.6530 7.2746 7.2746 7.3465 7.3465 7.4728 7.4728 7.4935 7.4935 7.5320 7.5320 k = 0.1728 0.2994 0.8833 ( 9968 PWs) bands (ev): -10.4179 -10.4179 -10.4172 -10.4172 -10.3349 -10.3349 -10.3338 -10.3338 -10.3277 -10.3277 -10.3259 -10.3259 -0.3142 -0.3142 -0.2980 -0.2980 0.0063 0.0063 0.0346 0.0346 0.5268 0.5268 0.5470 0.5470 0.8165 0.8165 0.8573 0.8573 1.5441 1.5441 1.5625 1.5625 1.7471 1.7471 1.7886 1.7886 1.9908 1.9908 2.0368 2.0368 2.3826 2.3826 2.4700 2.4700 2.5514 2.5514 2.6266 2.6266 7.2870 7.2870 7.3486 7.3486 7.4749 7.4749 7.4876 7.4876 7.5338 7.5338 k = 0.1605 0.2780 0.8833 ( 9982 PWs) bands (ev): -10.4203 -10.4203 -10.4197 -10.4197 -10.3335 -10.3335 -10.3324 -10.3324 -10.3268 -10.3268 -10.3252 -10.3252 -0.2983 -0.2983 -0.2831 -0.2831 0.0007 0.0007 0.0261 0.0261 0.5431 0.5431 0.5629 0.5629 0.8129 0.8129 0.8502 0.8502 1.5520 1.5520 1.5671 1.5671 1.7371 1.7371 1.7703 1.7703 2.0006 2.0006 2.0399 2.0399 2.3764 2.3764 2.4583 2.4583 2.5293 2.5293 2.5992 2.5992 7.2995 7.2995 7.3506 7.3506 7.4774 7.4774 7.4823 7.4823 7.5371 7.5371 k = 0.1481 0.2566 0.8833 ( 9978 PWs) bands (ev): -10.4226 -10.4226 -10.4222 -10.4222 -10.3321 -10.3321 -10.3310 -10.3310 -10.3260 -10.3260 -10.3244 -10.3244 -0.2806 -0.2806 -0.2664 -0.2664 -0.0049 -0.0049 0.0178 0.0178 0.5484 0.5484 0.5647 0.5647 0.8248 0.8248 0.8558 0.8558 1.5598 1.5598 1.5705 1.5705 1.7262 1.7262 1.7500 1.7500 2.0094 2.0094 2.0409 2.0409 2.3705 2.3705 2.4447 2.4447 2.5084 2.5084 2.5716 2.5716 7.3118 7.3118 7.3525 7.3525 7.4782 7.4782 7.4807 7.4807 7.5416 7.5416 k = 0.1358 0.2352 0.8833 ( 9974 PWs) bands (ev): -10.4249 -10.4249 -10.4246 -10.4246 -10.3307 -10.3307 -10.3298 -10.3298 -10.3251 -10.3251 -10.3238 -10.3238 -0.2613 -0.2613 -0.2482 -0.2482 -0.0103 -0.0103 0.0100 0.0100 0.5425 0.5425 0.5538 0.5538 0.8506 0.8506 0.8740 0.8740 1.5672 1.5672 1.5727 1.5727 1.7152 1.7152 1.7290 1.7290 2.0156 2.0156 2.0391 2.0391 2.3652 2.3652 2.4285 2.4285 2.4904 2.4904 2.5447 2.5447 7.3232 7.3232 7.3541 7.3541 7.4761 7.4761 7.4849 7.4849 7.5470 7.5470 k = 0.1235 0.2138 0.8833 ( 9970 PWs) bands (ev): -10.4271 -10.4271 -10.4268 -10.4268 -10.3295 -10.3295 -10.3286 -10.3286 -10.3243 -10.3243 -10.3231 -10.3231 -0.2407 -0.2407 -0.2286 -0.2286 -0.0152 -0.0152 0.0028 0.0028 0.5276 0.5276 0.5346 0.5346 0.8856 0.8856 0.9023 0.9023 1.5735 1.5735 1.5740 1.5740 1.7046 1.7046 1.7085 1.7085 2.0179 2.0179 2.0336 2.0336 2.3603 2.3603 2.4105 2.4105 2.4757 2.4757 2.5194 2.5194 7.3332 7.3332 7.3553 7.3553 7.4763 7.4763 7.4898 7.4898 7.5528 7.5528 k = 0.1111 0.1925 0.8833 ( 9960 PWs) bands (ev): -10.4291 -10.4291 -10.4289 -10.4289 -10.3282 -10.3282 -10.3275 -10.3275 -10.3235 -10.3235 -10.3225 -10.3225 -0.2190 -0.2190 -0.2080 -0.2080 -0.0197 -0.0197 -0.0038 -0.0038 0.5070 0.5070 0.5107 0.5107 0.9258 0.9258 0.9372 0.9372 1.5728 1.5728 1.5794 1.5794 1.6901 1.6901 1.6954 1.6954 2.0149 2.0149 2.0238 2.0238 2.3558 2.3558 2.3925 2.3925 2.4640 2.4640 2.4965 2.4965 7.3414 7.3414 7.3562 7.3562 7.4791 7.4791 7.4955 7.4955 7.5589 7.5589 k = 0.0988 0.1711 0.8833 ( 9964 PWs) bands (ev): -10.4309 -10.4309 -10.4308 -10.4308 -10.3271 -10.3271 -10.3265 -10.3265 -10.3227 -10.3227 -10.3220 -10.3220 -0.1968 -0.1968 -0.1869 -0.1869 -0.0233 -0.0233 -0.0097 -0.0097 0.4829 0.4829 0.4847 0.4847 0.9685 0.9685 0.9759 0.9759 1.5702 1.5702 1.5820 1.5820 1.6757 1.6757 1.6883 1.6883 2.0058 2.0058 2.0093 2.0093 2.3520 2.3520 2.3763 2.3763 2.4544 2.4544 2.4768 2.4768 7.3474 7.3474 7.3567 7.3567 7.4844 7.4844 7.5015 7.5015 7.5650 7.5650 k = 0.0864 0.1497 0.8833 ( 9972 PWs) bands (ev): -10.4326 -10.4326 -10.4325 -10.4325 -10.3261 -10.3261 -10.3257 -10.3257 -10.3220 -10.3220 -10.3215 -10.3215 -0.1745 -0.1745 -0.1659 -0.1659 -0.0260 -0.0260 -0.0146 -0.0146 0.4573 0.4573 0.4579 0.4579 1.0117 1.0117 1.0163 1.0163 1.5656 1.5656 1.5798 1.5798 1.6676 1.6676 1.6840 1.6840 1.9901 1.9901 1.9904 1.9904 2.3487 2.3487 2.3634 2.3634 2.4463 2.4463 2.4604 2.4604 7.3516 7.3516 7.3570 7.3570 7.4918 7.4918 7.5076 7.5076 7.5710 7.5710 k = 0.0741 0.1283 0.8833 ( 9962 PWs) bands (ev): -10.4341 -10.4341 -10.4341 -10.4341 -10.3253 -10.3253 -10.3249 -10.3249 -10.3214 -10.3214 -10.3210 -10.3210 -0.1528 -0.1528 -0.1457 -0.1457 -0.0274 -0.0274 -0.0182 -0.0182 0.4314 0.4314 0.4315 0.4315 1.0540 1.0540 1.0567 1.0567 1.5592 1.5592 1.5723 1.5723 1.6672 1.6672 1.6831 1.6831 1.9667 1.9667 1.9690 1.9690 2.3462 2.3462 2.3541 2.3541 2.4393 2.4393 2.4475 2.4475 7.3542 7.3542 7.3571 7.3571 7.5005 7.5005 7.5136 7.5136 7.5766 7.5766 k = 0.0617 0.1069 0.8833 ( 9946 PWs) bands (ev): -10.4354 -10.4354 -10.4354 -10.4354 -10.3245 -10.3245 -10.3243 -10.3243 -10.3208 -10.3208 -10.3206 -10.3206 -0.1327 -0.1327 -0.1273 -0.1273 -0.0270 -0.0270 -0.0203 -0.0203 0.4062 0.4062 0.4064 0.4064 1.0941 1.0941 1.0954 1.0954 1.5513 1.5513 1.5610 1.5610 1.6733 1.6733 1.6858 1.6858 1.9400 1.9400 1.9430 1.9430 2.3443 2.3443 2.3481 2.3481 2.4333 2.4333 2.4376 2.4376 7.3557 7.3557 7.3571 7.3571 7.5096 7.5096 7.5191 7.5191 7.5815 7.5815 k = 0.0494 0.0855 0.8833 ( 9932 PWs) bands (ev): -10.4365 -10.4365 -10.4365 -10.4365 -10.3240 -10.3240 -10.3239 -10.3239 -10.3203 -10.3203 -10.3202 -10.3202 -0.1154 -0.1154 -0.1119 -0.1119 -0.0247 -0.0247 -0.0203 -0.0203 0.3830 0.3830 0.3833 0.3833 1.1305 1.1305 1.1310 1.1310 1.5426 1.5426 1.5484 1.5484 1.6840 1.6840 1.6922 1.6922 1.9114 1.9114 1.9141 1.9141 2.3431 2.3431 2.3446 2.3446 2.4283 2.4283 2.4302 2.4302 7.3565 7.3565 7.3571 7.3571 7.5182 7.5182 7.5241 7.5241 7.5856 7.5856 k = 0.0370 0.0642 0.8833 ( 9932 PWs) bands (ev): -10.4373 -10.4373 -10.4373 -10.4373 -10.3235 -10.3235 -10.3235 -10.3235 -10.3199 -10.3199 -10.3199 -10.3199 -0.1021 -0.1021 -0.1003 -0.1003 -0.0204 -0.0204 -0.0182 -0.0182 0.3630 0.3630 0.3632 0.3632 1.1617 1.1617 1.1618 1.1618 1.5338 1.5338 1.5366 1.5366 1.6975 1.6975 1.7019 1.7019 1.8825 1.8825 1.8844 1.8844 2.3424 2.3424 2.3429 2.3429 2.4244 2.4244 2.4251 2.4251 7.3568 7.3568 7.3571 7.3571 7.5254 7.5254 7.5284 7.5284 7.5886 7.5886 k = 0.0247 0.0428 0.8833 ( 9928 PWs) bands (ev): -10.4380 -10.4380 -10.4380 -10.4380 -10.3232 -10.3232 -10.3232 -10.3232 -10.3196 -10.3196 -10.3196 -10.3196 -0.0933 -0.0933 -0.0927 -0.0927 -0.0154 -0.0154 -0.0146 -0.0146 0.3474 0.3474 0.3474 0.3474 1.1859 1.1859 1.1859 1.1859 1.5261 1.5261 1.5270 1.5270 1.7124 1.7124 1.7140 1.7140 1.8557 1.8557 1.8565 1.8565 2.3421 2.3421 2.3422 2.3422 2.4215 2.4215 2.4217 2.4217 7.3570 7.3570 7.3570 7.3570 7.5308 7.5308 7.5318 7.5318 7.5905 7.5905 k = 0.0123 0.0214 0.8833 ( 9908 PWs) bands (ev): -10.4383 -10.4383 -10.4383 -10.4383 -10.3231 -10.3231 -10.3231 -10.3231 -10.3195 -10.3195 -10.3195 -10.3195 -0.0886 -0.0886 -0.0885 -0.0885 -0.0113 -0.0113 -0.0112 -0.0112 0.3373 0.3373 0.3373 0.3373 1.2014 1.2014 1.2014 1.2014 1.5206 1.5206 1.5208 1.5208 1.7257 1.7257 1.7259 1.7259 1.8345 1.8345 1.8347 1.8347 2.3419 2.3419 2.3420 2.3420 2.4197 2.4197 2.4197 2.4197 7.3570 7.3570 7.3570 7.3570 7.5339 7.5339 7.5341 7.5341 7.5915 7.5915 k = 0.0000 0.0000 0.8833 ( 9896 PWs) bands (ev): -10.4384 -10.4384 -10.4384 -10.4384 -10.3230 -10.3230 -10.3230 -10.3230 -10.3194 -10.3194 -10.3194 -10.3194 -0.0872 -0.0872 -0.0872 -0.0872 -0.0097 -0.0097 -0.0097 -0.0097 0.3338 0.3338 0.3338 0.3338 1.2067 1.2067 1.2067 1.2067 1.5186 1.5186 1.5186 1.5186 1.7316 1.7316 1.7316 1.7316 1.8258 1.8258 1.8258 1.8258 2.3419 2.3419 2.3419 2.3419 2.4191 2.4191 2.4191 2.4191 7.3570 7.3570 7.3570 7.3570 7.5349 7.5349 7.5349 7.5349 7.5917 7.5917 k = 0.5000 0.2887 0.8833 ( 9972 PWs) bands (ev): -10.4018 -10.4018 -10.4018 -10.4018 -10.3482 -10.3482 -10.3482 -10.3482 -10.3276 -10.3276 -10.3276 -10.3276 -0.4094 -0.4094 -0.4094 -0.4094 0.2156 0.2156 0.2156 0.2156 0.3097 0.3097 0.3097 0.3097 0.8856 0.8856 0.8856 0.8856 1.4784 1.4784 1.4784 1.4784 1.8587 1.8587 1.8587 1.8587 2.0179 2.0179 2.0179 2.0179 2.4098 2.4098 2.4098 2.4098 2.7603 2.7603 2.7603 2.7603 7.2553 7.2553 7.2553 7.2553 7.4740 7.4740 7.4740 7.4740 7.5790 7.5790 k = 0.5000 0.2887 0.8580 ( 9968 PWs) bands (ev): -10.4120 -10.4120 -10.3964 -10.3964 -10.3530 -10.3530 -10.3418 -10.3418 -10.3299 -10.3299 -10.3226 -10.3226 -0.4332 -0.4332 -0.3829 -0.3829 0.1857 0.1857 0.2462 0.2462 0.2977 0.2977 0.3220 0.3220 0.8760 0.8760 0.8971 0.8971 1.4687 1.4687 1.4832 1.4832 1.8497 1.8497 1.8709 1.8709 2.0020 2.0020 2.0340 2.0340 2.4007 2.4007 2.4169 2.4169 2.7520 2.7520 2.7692 2.7692 7.2349 7.2349 7.2713 7.2713 7.4637 7.4637 7.4862 7.4862 7.5508 7.5508 k = 0.5000 0.2887 0.8328 ( 9980 PWs) bands (ev): -10.4245 -10.4245 -10.3984 -10.3984 -10.3517 -10.3517 -10.3422 -10.3422 -10.3232 -10.3232 -10.3167 -10.3167 -0.4540 -0.4540 -0.3538 -0.3538 0.1568 0.1568 0.2762 0.2762 0.2870 0.2870 0.3345 0.3345 0.8681 0.8681 0.9105 0.9105 1.4550 1.4550 1.4828 1.4828 1.8438 1.8438 1.8860 1.8860 1.9869 1.9869 2.0499 2.0499 2.3901 2.3901 2.4219 2.4219 2.7445 2.7445 2.7784 2.7784 7.2117 7.2117 7.2811 7.2811 7.4563 7.4563 7.4984 7.4984 7.5221 7.5221 k = 0.5000 0.2887 0.8076 ( 9978 PWs) bands (ev): -10.4381 -10.4381 -10.4064 -10.4064 -10.3481 -10.3481 -10.3435 -10.3435 -10.3121 -10.3121 -10.3101 -10.3101 -0.4719 -0.4719 -0.3224 -0.3224 0.1293 0.1293 0.2736 0.2736 0.3094 0.3094 0.3472 0.3472 0.8618 0.8618 0.9261 0.9261 1.4381 1.4381 1.4769 1.4769 1.8407 1.8407 1.9035 1.9035 1.9732 1.9732 2.0647 2.0647 2.3784 2.3784 2.4245 2.4245 2.7381 2.7381 2.7876 2.7876 7.1866 7.1866 7.2829 7.2829 7.4526 7.4526 7.4869 7.4869 7.5171 7.5171 k = 0.5000 0.2887 0.7823 ( 9980 PWs) bands (ev): -10.4524 -10.4524 -10.4171 -10.4171 -10.3518 -10.3518 -10.3365 -10.3365 -10.3029 -10.3029 -10.2999 -10.2999 -0.4868 -0.4868 -0.2888 -0.2888 0.1035 0.1035 0.2624 0.2624 0.3404 0.3404 0.3600 0.3600 0.8569 0.8569 0.9439 0.9439 1.4190 1.4190 1.4660 1.4660 1.8398 1.8398 1.9228 1.9228 1.9614 1.9614 2.0781 2.0781 2.3660 2.3660 2.4245 2.4245 2.7330 2.7330 2.7968 2.7968 7.1604 7.1604 7.2759 7.2759 7.4460 7.4460 7.4626 7.4626 7.5315 7.5315 k = 0.5000 0.2887 0.7571 ( 9978 PWs) bands (ev): -10.4671 -10.4671 -10.4288 -10.4288 -10.3565 -10.3565 -10.3287 -10.3287 -10.2948 -10.2948 -10.2875 -10.2875 -0.4986 -0.4986 -0.2537 -0.2537 0.0801 0.0801 0.2513 0.2513 0.3702 0.3702 0.3738 0.3738 0.8531 0.8531 0.9639 0.9639 1.3986 1.3986 1.4505 1.4505 1.8404 1.8404 1.9416 1.9416 1.9531 1.9531 2.0896 2.0896 2.3534 2.3534 2.4221 2.4221 2.7296 2.7296 2.8057 2.8057 7.1334 7.1334 7.2610 7.2610 7.4172 7.4172 7.4619 7.4619 7.5473 7.5473 k = 0.5000 0.2887 0.7318 ( 9976 PWs) bands (ev): -10.4822 -10.4822 -10.4410 -10.4410 -10.3613 -10.3613 -10.3215 -10.3215 -10.2859 -10.2859 -10.2750 -10.2750 -0.5073 -0.5073 -0.2180 -0.2180 0.0599 0.0599 0.2403 0.2403 0.3847 0.3847 0.4022 0.4022 0.8504 0.8504 0.9862 0.9862 1.3777 1.3777 1.4312 1.4312 1.8416 1.8416 1.9422 1.9422 1.9654 1.9654 2.0987 2.0987 2.3410 2.3410 2.4175 2.4175 2.7280 2.7280 2.8141 2.8141 7.1060 7.1060 7.2398 7.2398 7.3833 7.3833 7.4667 7.4667 7.5633 7.5633 k = 0.5000 0.2887 0.7066 ( 9976 PWs) bands (ev): -10.4976 -10.4976 -10.4534 -10.4534 -10.3660 -10.3660 -10.3151 -10.3151 -10.2763 -10.2763 -10.2625 -10.2625 -0.5129 -0.5129 -0.1830 -0.1830 0.0444 0.0444 0.2293 0.2293 0.3968 0.3968 0.4321 0.4321 0.8486 0.8486 1.0106 1.0106 1.3572 1.3572 1.4090 1.4090 1.8426 1.8426 1.9375 1.9375 1.9847 1.9847 2.1054 2.1054 2.3293 2.3293 2.4112 2.4112 2.7282 2.7282 2.8220 2.8220 7.0783 7.0783 7.2139 7.2139 7.3487 7.3487 7.4717 7.4717 7.5785 7.5785 k = 0.5000 0.2887 0.6814 ( 9976 PWs) bands (ev): -10.5130 -10.5130 -10.4658 -10.4658 -10.3706 -10.3706 -10.3095 -10.3095 -10.2664 -10.2664 -10.2501 -10.2501 -0.5153 -0.5153 -0.1519 -0.1519 0.0364 0.0364 0.2183 0.2183 0.4083 0.4083 0.4612 0.4612 0.8474 0.8474 1.0370 1.0370 1.3375 1.3375 1.3845 1.3845 1.8426 1.8426 1.9351 1.9351 2.0022 2.0022 2.1098 2.1098 2.3186 2.3186 2.4041 2.4041 2.7302 2.7302 2.8291 2.8291 7.0505 7.0505 7.1843 7.1843 7.3138 7.3138 7.4759 7.4759 7.5910 7.5910 k = 0.5000 0.2887 0.6561 ( 9992 PWs) bands (ev): -10.5286 -10.5286 -10.4781 -10.4781 -10.3751 -10.3751 -10.3045 -10.3045 -10.2563 -10.2563 -10.2379 -10.2379 -0.5146 -0.5146 -0.1292 -0.1292 0.0404 0.0404 0.2072 0.2072 0.4189 0.4189 0.4894 0.4894 0.8470 0.8470 1.0652 1.0652 1.3193 1.3193 1.3588 1.3588 1.8408 1.8408 1.9353 1.9353 2.0161 2.0161 2.1124 2.1124 2.3089 2.3089 2.3975 2.3975 2.7339 2.7339 2.8352 2.8352 7.0225 7.0225 7.1520 7.1520 7.2789 7.2789 7.4788 7.4788 7.5986 7.5986 k = 0.5000 0.2887 0.6309 ( 9988 PWs) bands (ev): -10.5441 -10.5441 -10.4903 -10.4903 -10.3795 -10.3795 -10.2999 -10.2999 -10.2463 -10.2463 -10.2259 -10.2259 -0.5108 -0.5108 -0.1184 -0.1184 0.0598 0.0598 0.1960 0.1960 0.4284 0.4284 0.5168 0.5168 0.8473 0.8473 1.0945 1.0945 1.3028 1.3028 1.3326 1.3326 1.8370 1.8370 1.9379 1.9379 2.0246 2.0246 2.1139 2.1139 2.3004 2.3004 2.3928 2.3928 2.7389 2.7389 2.8403 2.8403 6.9946 6.9946 7.1176 7.1176 7.2442 7.2442 7.4803 7.4803 7.5984 7.5984 k = 0.5000 0.2887 0.6057 ( 9988 PWs) bands (ev): -10.5597 -10.5597 -10.5023 -10.5023 -10.3838 -10.3838 -10.2958 -10.2958 -10.2363 -10.2363 -10.2140 -10.2140 -0.5039 -0.5039 -0.1180 -0.1180 0.0925 0.0925 0.1848 0.1848 0.4366 0.4366 0.5430 0.5430 0.8486 0.8486 1.1242 1.1242 1.2884 1.2884 1.3072 1.3072 1.8310 1.8310 1.9422 1.9422 2.0267 2.0267 2.1147 2.1147 2.2935 2.2935 2.3915 2.3915 2.7450 2.7450 2.8441 2.8441 6.9666 6.9666 7.0818 7.0818 7.2098 7.2098 7.4799 7.4799 7.5894 7.5894 k = 0.5000 0.2887 0.5804 ( 9992 PWs) bands (ev): -10.5751 -10.5751 -10.5142 -10.5142 -10.3879 -10.3879 -10.2920 -10.2920 -10.2266 -10.2266 -10.2025 -10.2025 -0.4939 -0.4939 -0.1235 -0.1235 0.1330 0.1330 0.1743 0.1743 0.4432 0.4432 0.5682 0.5682 0.8512 0.8512 1.1529 1.1529 1.2746 1.2746 1.2857 1.2857 1.8230 1.8230 1.9470 1.9470 2.0227 2.0227 2.1139 2.1139 2.2893 2.2893 2.3940 2.3940 2.7517 2.7517 2.8464 2.8464 6.9386 6.9386 7.0451 7.0451 7.1758 7.1758 7.4775 7.4775 7.5736 7.5736 k = 0.5000 0.2887 0.5552 ( 9990 PWs) bands (ev): -10.5903 -10.5903 -10.5257 -10.5257 -10.3919 -10.3919 -10.2886 -10.2886 -10.2171 -10.2171 -10.1912 -10.1912 -0.4808 -0.4808 -0.1317 -0.1317 0.1559 0.1559 0.1859 0.1859 0.4481 0.4481 0.5922 0.5922 0.8555 0.8555 1.1770 1.1770 1.2574 1.2574 1.2755 1.2755 1.8132 1.8132 1.9500 1.9500 2.0152 2.0152 2.1105 2.1105 2.2893 2.2893 2.4004 2.4004 2.7586 2.7586 2.8473 2.8473 6.9105 6.9105 7.0081 7.0081 7.1423 7.1423 7.4721 7.4721 7.5542 7.5542 k = 0.5000 0.2887 0.5300 ( 9990 PWs) bands (ev): -10.6054 -10.6054 -10.5371 -10.5371 -10.3958 -10.3958 -10.2854 -10.2854 -10.2079 -10.2079 -10.1801 -10.1801 -0.4647 -0.4647 -0.1407 -0.1407 0.1455 0.1455 0.2328 0.2328 0.4513 0.4513 0.6148 0.6148 0.8620 0.8620 1.1892 1.1892 1.2427 1.2427 1.2780 1.2780 1.8021 1.8021 1.9463 1.9463 2.0086 2.0086 2.1047 2.1047 2.2943 2.2943 2.4099 2.4099 2.7654 2.7654 2.8466 2.8466 6.8823 6.8823 6.9712 6.9712 7.1095 7.1095 7.4624 7.4624 7.5346 7.5346 k = 0.5000 0.2887 0.5047 ( 9992 PWs) bands (ev): -10.6202 -10.6202 -10.5481 -10.5481 -10.3995 -10.3995 -10.2824 -10.2824 -10.1990 -10.1990 -10.1695 -10.1695 -0.4458 -0.4458 -0.1495 -0.1495 0.1327 0.1327 0.2827 0.2827 0.4528 0.4528 0.6362 0.6362 0.8712 0.8712 1.1850 1.1850 1.2337 1.2337 1.2942 1.2942 1.7899 1.7899 1.9317 1.9317 2.0061 2.0061 2.0991 2.0991 2.3039 2.3039 2.4217 2.4217 2.7716 2.7716 2.8444 2.8444 6.8540 6.8540 6.9348 6.9348 7.0774 7.0774 7.4469 7.4469 7.5178 7.5178 k = 0.5000 0.2887 0.4795 ( 9996 PWs) bands (ev): -10.6346 -10.6346 -10.5587 -10.5587 -10.4031 -10.4031 -10.2798 -10.2798 -10.1905 -10.1905 -10.1592 -10.1592 -0.4239 -0.4239 -0.1578 -0.1578 0.1190 0.1190 0.3322 0.3322 0.4529 0.4529 0.6564 0.6564 0.8834 0.8834 1.1729 1.1729 1.2267 1.2267 1.3191 1.3191 1.7770 1.7770 1.9072 1.9072 2.0046 2.0046 2.0982 2.0982 2.3171 2.3171 2.4347 2.4347 2.7767 2.7767 2.8407 2.8407 6.8257 6.8257 6.8994 6.8994 7.0462 7.0462 7.4255 7.4255 7.5048 7.5048 k = 0.5000 0.2887 0.4542 ( 9982 PWs) bands (ev): -10.6487 -10.6487 -10.5691 -10.5691 -10.4065 -10.4065 -10.2773 -10.2773 -10.1823 -10.1823 -10.1492 -10.1492 -0.3993 -0.3993 -0.1654 -0.1654 0.1048 0.1048 0.3793 0.3793 0.4527 0.4527 0.6755 0.6755 0.8989 0.8989 1.1603 1.1603 1.2197 1.2197 1.3469 1.3469 1.7634 1.7634 1.8760 1.8760 1.9998 1.9998 2.1052 2.1052 2.3326 2.3326 2.4481 2.4481 2.7803 2.7803 2.8359 2.8359 6.7974 6.7974 6.8654 6.8654 7.0158 7.0158 7.3997 7.3997 7.4942 7.4942 k = 0.5000 0.2887 0.4290 ( 9996 PWs) bands (ev): -10.6624 -10.6624 -10.5790 -10.5790 -10.4097 -10.4097 -10.2751 -10.2751 -10.1746 -10.1746 -10.1397 -10.1397 -0.3721 -0.3721 -0.1723 -0.1723 0.0901 0.0901 0.4188 0.4188 0.4563 0.4563 0.6939 0.6939 0.9177 0.9177 1.1499 1.1499 1.2121 1.2121 1.3749 1.3749 1.7489 1.7489 1.8414 1.8414 1.9913 1.9913 2.1200 2.1200 2.3495 2.3495 2.4611 2.4611 2.7818 2.7818 2.8305 2.8305 6.7693 6.7693 6.8329 6.8329 6.9863 6.9863 7.3714 7.3714 7.4836 7.4836 k = 0.5000 0.2887 0.4038 ( 10006 PWs) bands (ev): -10.6756 -10.6756 -10.5885 -10.5885 -10.4127 -10.4127 -10.2731 -10.2731 -10.1672 -10.1672 -10.1305 -10.1305 -0.3424 -0.3424 -0.1783 -0.1783 0.0750 0.0750 0.4346 0.4346 0.4787 0.4787 0.7115 0.7115 0.9400 0.9400 1.1428 1.1428 1.2038 1.2038 1.4018 1.4018 1.7317 1.7317 1.8073 1.8073 1.9809 1.9809 2.1405 2.1405 2.3670 2.3670 2.4731 2.4731 2.7805 2.7805 2.8253 2.8253 6.7417 6.7417 6.8024 6.8024 6.9575 6.9575 7.3420 7.3420 7.4689 7.4689 k = 0.5000 0.2887 0.3785 ( 10010 PWs) bands (ev): -10.6883 -10.6883 -10.5976 -10.5976 -10.4156 -10.4156 -10.2713 -10.2713 -10.1602 -10.1602 -10.1219 -10.1219 -0.3104 -0.3104 -0.1834 -0.1834 0.0597 0.0597 0.4352 0.4352 0.5109 0.5109 0.7284 0.7284 0.9658 0.9658 1.1396 1.1396 1.1949 1.1949 1.4262 1.4262 1.7085 1.7085 1.7795 1.7795 1.9701 1.9701 2.1646 2.1646 2.3843 2.3843 2.4834 2.4834 2.7757 2.7757 2.8212 2.8212 6.7146 6.7146 6.7744 6.7744 6.9293 6.9293 7.3123 7.3123 7.4462 7.4462 k = 0.5000 0.2887 0.3533 ( 10006 PWs) bands (ev): -10.7004 -10.7004 -10.6063 -10.6063 -10.4183 -10.4183 -10.2697 -10.2697 -10.1536 -10.1536 -10.1136 -10.1136 -0.2769 -0.2769 -0.1875 -0.1875 0.0443 0.0443 0.4337 0.4337 0.5394 0.5394 0.7439 0.7439 0.9948 0.9948 1.1404 1.1404 1.1858 1.1858 1.4461 1.4461 1.6788 1.6788 1.7617 1.7617 1.9599 1.9599 2.1908 2.1908 2.4009 2.4009 2.4914 2.4914 2.7676 2.7676 2.8185 2.8185 6.6883 6.6883 6.7494 6.7494 6.9018 6.9018 7.2827 7.2827 7.4183 7.4183 k = 0.5000 0.2887 0.3281 ( 9994 PWs) bands (ev): -10.7119 -10.7119 -10.6144 -10.6144 -10.4209 -10.4209 -10.2682 -10.2682 -10.1475 -10.1475 -10.1059 -10.1059 -0.2433 -0.2433 -0.1891 -0.1891 0.0292 0.0292 0.4325 0.4325 0.5622 0.5622 0.7574 0.7574 1.0250 1.0250 1.1461 1.1461 1.1774 1.1774 1.4576 1.4576 1.6496 1.6496 1.7520 1.7520 1.9506 1.9506 2.2180 2.2180 2.4161 2.4161 2.4968 2.4968 2.7569 2.7569 2.8171 2.8171 6.6625 6.6625 6.7279 6.7279 6.8749 6.8749 7.2537 7.2537 7.3897 7.3897 k = 0.5000 0.2887 0.3028 ( 9992 PWs) bands (ev): -10.7227 -10.7227 -10.6221 -10.6221 -10.4232 -10.4232 -10.2669 -10.2669 -10.1417 -10.1417 -10.0986 -10.0986 -0.2178 -0.2178 -0.1808 -0.1808 0.0147 0.0147 0.4325 0.4325 0.5795 0.5795 0.7680 0.7680 1.0513 1.0513 1.1583 1.1583 1.1718 1.1718 1.4542 1.4542 1.6319 1.6319 1.7474 1.7474 1.9425 1.9425 2.2449 2.2449 2.4291 2.4291 2.4993 2.4993 2.7447 2.7447 2.8168 2.8168 6.6375 6.6375 6.7104 6.7104 6.8487 6.8487 7.2257 7.2257 7.3620 7.3620 k = 0.5000 0.2887 0.2776 ( 9994 PWs) bands (ev): -10.7328 -10.7328 -10.6292 -10.6292 -10.4254 -10.4254 -10.2658 -10.2658 -10.1364 -10.1364 -10.0919 -10.0919 -0.2116 -0.2116 -0.1520 -0.1520 0.0016 0.0016 0.4340 0.4340 0.5919 0.5919 0.7755 0.7755 1.0658 1.0658 1.1663 1.1663 1.1860 1.1860 1.4328 1.4328 1.6316 1.6316 1.7462 1.7462 1.9357 1.9357 2.2703 2.2703 2.4392 2.4392 2.4993 2.4993 2.7320 2.7320 2.8174 2.8174 6.6134 6.6134 6.6969 6.6969 6.8237 6.8237 7.1988 7.1988 7.3357 7.3357 k = 0.5000 0.2887 0.2524 ( 9992 PWs) bands (ev): -10.7422 -10.7422 -10.6358 -10.6358 -10.4273 -10.4273 -10.2648 -10.2648 -10.1316 -10.1316 -10.0857 -10.0857 -0.2130 -0.2130 -0.1164 -0.1164 -0.0084 -0.0084 0.4374 0.4374 0.6002 0.6002 0.7798 0.7798 1.0661 1.0661 1.1665 1.1665 1.2225 1.2225 1.4000 1.4000 1.6452 1.6452 1.7476 1.7476 1.9302 1.9302 2.2925 2.2925 2.4454 2.4454 2.4975 2.4975 2.7198 2.7198 2.8189 2.8189 6.5905 6.5905 6.6873 6.6873 6.8002 6.8002 7.1733 7.1733 7.3108 7.3108 k = 0.5000 0.2887 0.2271 ( 9990 PWs) bands (ev): -10.7508 -10.7508 -10.6418 -10.6418 -10.4291 -10.4291 -10.2640 -10.2640 -10.1271 -10.1271 -10.0801 -10.0801 -0.2159 -0.2159 -0.0858 -0.0858 -0.0098 -0.0098 0.4426 0.4426 0.6051 0.6051 0.7814 0.7814 1.0570 1.0570 1.1656 1.1656 1.2637 1.2637 1.3678 1.3678 1.6662 1.6662 1.7513 1.7513 1.9261 1.9261 2.3095 2.3095 2.4470 2.4470 2.4954 2.4954 2.7090 2.7090 2.8213 2.8213 6.5691 6.5691 6.6812 6.6812 6.7789 6.7789 7.1494 7.1494 7.2873 7.2873 k = 0.5000 0.2887 0.2019 ( 10012 PWs) bands (ev): -10.7586 -10.7586 -10.6472 -10.6472 -10.4307 -10.4307 -10.2633 -10.2633 -10.1232 -10.1232 -10.0750 -10.0750 -0.2191 -0.2191 -0.0727 -0.0727 0.0088 0.0088 0.4496 0.4496 0.6071 0.6071 0.7806 0.7806 1.0430 1.0430 1.1595 1.1595 1.2884 1.2884 1.3596 1.3596 1.6903 1.6903 1.7572 1.7572 1.9233 1.9233 2.3190 2.3190 2.4433 2.4433 2.4952 2.4952 2.7005 2.7005 2.8245 2.8245 6.5495 6.5495 6.6776 6.6776 6.7606 6.7606 7.1273 7.1273 7.2654 7.2654 k = 0.5000 0.2887 0.1767 ( 10002 PWs) bands (ev): -10.7655 -10.7655 -10.6521 -10.6521 -10.4322 -10.4322 -10.2627 -10.2627 -10.1197 -10.1197 -10.0704 -10.0704 -0.2223 -0.2223 -0.0749 -0.0749 0.0446 0.0446 0.4580 0.4580 0.6067 0.6067 0.7780 0.7780 1.0262 1.0262 1.1445 1.1445 1.2813 1.2813 1.3939 1.3939 1.7140 1.7140 1.7665 1.7665 1.9221 1.9221 2.3196 2.3196 2.4344 2.4344 2.4983 2.4983 2.6946 2.6946 2.8282 2.8282 6.5319 6.5319 6.6750 6.6750 6.7470 6.7470 7.1072 7.1072 7.2452 7.2452 k = 0.5000 0.2887 0.1514 ( 10010 PWs) bands (ev): -10.7716 -10.7716 -10.6563 -10.6563 -10.4334 -10.4334 -10.2622 -10.2622 -10.1166 -10.1166 -10.0665 -10.0665 -0.2255 -0.2255 -0.0818 -0.0818 0.0863 0.0863 0.4671 0.4671 0.6044 0.6044 0.7739 0.7739 1.0069 1.0069 1.1211 1.1211 1.2720 1.2720 1.4408 1.4408 1.7332 1.7332 1.7816 1.7816 1.9222 1.9222 2.3116 2.3116 2.4204 2.4204 2.5050 2.5050 2.6913 2.6913 2.8322 2.8322 6.5164 6.5164 6.6715 6.6715 6.7395 6.7395 7.0892 7.0892 7.2267 7.2267 k = 0.5000 0.2887 0.1262 ( 9998 PWs) bands (ev): -10.7768 -10.7768 -10.6599 -10.6599 -10.4344 -10.4344 -10.2617 -10.2617 -10.1140 -10.1140 -10.0631 -10.0631 -0.2283 -0.2283 -0.0894 -0.0894 0.1292 0.1292 0.4760 0.4760 0.6010 0.6010 0.7689 0.7689 0.9849 0.9849 1.0951 1.0951 1.2679 1.2679 1.4874 1.4874 1.7454 1.7454 1.8032 1.8032 1.9236 1.9236 2.2972 2.2972 2.4026 2.4026 2.5140 2.5140 2.6901 2.6901 2.8363 2.8363 6.5033 6.5033 6.6659 6.6659 6.7387 6.7387 7.0737 7.0737 7.2102 7.2102 k = 0.5000 0.2887 0.1009 ( 9998 PWs) bands (ev): -10.7810 -10.7810 -10.6628 -10.6628 -10.4353 -10.4353 -10.2614 -10.2614 -10.1119 -10.1119 -10.0604 -10.0604 -0.2308 -0.2308 -0.0963 -0.0963 0.1708 0.1708 0.4828 0.4828 0.5980 0.5980 0.7635 0.7635 0.9603 0.9603 1.0722 1.0722 1.2671 1.2671 1.5302 1.5302 1.7526 1.7526 1.8284 1.8284 1.9259 1.9259 2.2793 2.2793 2.3827 2.3827 2.5235 2.5235 2.6903 2.6903 2.8400 2.8400 6.4924 6.4924 6.6590 6.6590 6.7431 6.7431 7.0609 7.0609 7.1954 7.1954 k = 0.5000 0.2887 0.0757 ( 9990 PWs) bands (ev): -10.7844 -10.7844 -10.6651 -10.6651 -10.4359 -10.4359 -10.2612 -10.2612 -10.1102 -10.1102 -10.0582 -10.0582 -0.2328 -0.2328 -0.1019 -0.1019 0.2090 0.2090 0.4858 0.4858 0.5969 0.5969 0.7582 0.7582 0.9349 0.9349 1.0553 1.0553 1.2677 1.2677 1.5666 1.5666 1.7567 1.7567 1.8538 1.8538 1.9280 1.9280 2.2611 2.2611 2.3629 2.3629 2.5321 2.5321 2.6912 2.6912 2.8433 2.8433 6.4840 6.4840 6.6523 6.6523 6.7501 6.7501 7.0509 7.0509 7.1815 7.1815 k = 0.5000 0.2887 0.0505 ( 9996 PWs) bands (ev): -10.7868 -10.7868 -10.6668 -10.6668 -10.4364 -10.4364 -10.2610 -10.2610 -10.1090 -10.1090 -10.0567 -10.0567 -0.2343 -0.2343 -0.1061 -0.1061 0.2409 0.2409 0.4843 0.4843 0.5984 0.5984 0.7534 0.7534 0.9125 0.9125 1.0442 1.0442 1.2686 1.2686 1.5945 1.5945 1.7589 1.7589 1.8771 1.8771 1.9285 1.9285 2.2453 2.2453 2.3457 2.3457 2.5388 2.5388 2.6923 2.6923 2.8457 2.8457 6.4780 6.4780 6.6470 6.6470 6.7572 6.7572 7.0440 7.0440 7.1675 7.1675 k = 0.5000 0.2887 0.0252 ( 10018 PWs) bands (ev): -10.7882 -10.7882 -10.6678 -10.6678 -10.4367 -10.4367 -10.2609 -10.2609 -10.1083 -10.1083 -10.0558 -10.0558 -0.2353 -0.2353 -0.1087 -0.1087 0.2630 0.2630 0.4806 0.4806 0.6012 0.6012 0.7498 0.7498 0.8971 0.8971 1.0380 1.0380 1.2693 1.2693 1.6122 1.6122 1.7599 1.7599 1.8962 1.8962 1.9257 1.9257 2.2346 2.2346 2.3339 2.3339 2.5431 2.5431 2.6930 2.6930 2.8473 2.8473 6.4744 6.4744 6.6436 6.6436 6.7624 6.7624 7.0399 7.0399 7.1562 7.1562 k = 0.5000 0.2887-0.0000 ( 10002 PWs) bands (ev): -10.7887 -10.7887 -10.6681 -10.6681 -10.4368 -10.4368 -10.2609 -10.2609 -10.1081 -10.1081 -10.0555 -10.0555 -0.2356 -0.2356 -0.1095 -0.1095 0.2710 0.2710 0.4787 0.4787 0.6025 0.6025 0.7485 0.7485 0.8916 0.8916 1.0360 1.0360 1.2696 1.2696 1.6182 1.6182 1.7601 1.7601 1.9059 1.9059 1.9218 1.9218 2.2309 2.2309 2.3297 2.3297 2.5445 2.5445 2.6933 2.6933 2.8478 2.8478 6.4732 6.4732 6.6425 6.6425 6.7643 6.7643 7.0385 7.0385 7.1520 7.1520 k = 0.3333 0.5774-0.0000 ( 10029 PWs) bands (ev): -10.7012 -10.7012 -10.6920 -10.6920 -10.5599 -10.5599 -10.1529 -10.1529 -10.1497 -10.1497 -10.0638 -10.0638 -0.1322 -0.1322 -0.0953 -0.0953 -0.0434 -0.0434 0.5204 0.5204 0.8055 0.8055 0.8322 0.8322 0.9399 0.9399 1.0912 1.0912 1.3258 1.3258 1.3925 1.3925 1.4505 1.4505 2.0154 2.0154 2.0823 2.0823 2.1700 2.1700 2.2353 2.2353 2.6563 2.6563 2.7847 2.7847 2.7884 2.7884 6.5688 6.5688 6.6363 6.6363 6.7860 6.7860 6.8662 6.8662 7.3502 7.3502 k = 0.3333 0.5774 0.0252 ( 10002 PWs) bands (ev): -10.7008 -10.7008 -10.6916 -10.6916 -10.5597 -10.5597 -10.1530 -10.1530 -10.1499 -10.1499 -10.0641 -10.0641 -0.1321 -0.1321 -0.0957 -0.0957 -0.0451 -0.0451 0.5228 0.5228 0.8030 0.8030 0.8246 0.8246 0.9480 0.9480 1.0929 1.0929 1.3246 1.3246 1.3914 1.3914 1.4481 1.4481 2.0061 2.0061 2.0906 2.0906 2.1721 2.1721 2.2378 2.2378 2.6550 2.6550 2.7834 2.7834 2.7875 2.7875 6.5700 6.5700 6.6372 6.6372 6.7840 6.7840 6.8723 6.8723 7.3486 7.3486 k = 0.3333 0.5774 0.0505 ( 9996 PWs) bands (ev): -10.6996 -10.6996 -10.6904 -10.6904 -10.5591 -10.5591 -10.1536 -10.1536 -10.1505 -10.1505 -10.0650 -10.0650 -0.1318 -0.1318 -0.0968 -0.0968 -0.0499 -0.0499 0.5299 0.5299 0.7959 0.7959 0.8064 0.8064 0.9676 0.9676 1.0978 1.0978 1.3214 1.3214 1.3881 1.3881 1.4411 1.4411 1.9854 1.9854 2.1082 2.1082 2.1782 2.1782 2.2449 2.2449 2.6514 2.6514 2.7794 2.7794 2.7848 2.7848 6.5734 6.5734 6.6401 6.6401 6.7797 6.7797 6.8889 6.8889 7.3440 7.3440 k = 0.3333 0.5774 0.0757 ( 9990 PWs) bands (ev): -10.6977 -10.6977 -10.6885 -10.6885 -10.5581 -10.5581 -10.1544 -10.1544 -10.1514 -10.1514 -10.0665 -10.0665 -0.1314 -0.1314 -0.0993 -0.0993 -0.0571 -0.0571 0.5412 0.5412 0.7838 0.7838 0.7846 0.7846 0.9924 0.9924 1.1051 1.1051 1.3167 1.3167 1.3826 1.3826 1.4301 1.4301 1.9603 1.9603 2.1284 2.1284 2.1880 2.1880 2.2559 2.2559 2.6456 2.6456 2.7729 2.7729 2.7805 2.7805 6.5791 6.5791 6.6450 6.6450 6.7756 6.7756 6.9132 6.9132 7.3377 7.3377 k = 0.3333 0.5774 0.1009 ( 10002 PWs) bands (ev): -10.6949 -10.6949 -10.6858 -10.6858 -10.5567 -10.5567 -10.1556 -10.1556 -10.1527 -10.1527 -10.0686 -10.0686 -0.1310 -0.1310 -0.1039 -0.1039 -0.0653 -0.0653 0.5560 0.5560 0.7600 0.7600 0.7701 0.7701 1.0192 1.0192 1.1137 1.1137 1.3112 1.3112 1.3748 1.3748 1.4157 1.4157 1.9331 1.9331 2.1489 2.1489 2.2010 2.2010 2.2697 2.2697 2.6379 2.6379 2.7639 2.7639 2.7749 2.7749 6.5870 6.5870 6.6517 6.6517 6.7732 6.7732 6.9433 6.9433 7.3310 7.3310 k = 0.3333 0.5774 0.1262 ( 10002 PWs) bands (ev): -10.6914 -10.6914 -10.6823 -10.6823 -10.5549 -10.5549 -10.1572 -10.1572 -10.1543 -10.1543 -10.0713 -10.0713 -0.1307 -0.1307 -0.1119 -0.1119 -0.0727 -0.0727 0.5734 0.5734 0.7366 0.7366 0.7528 0.7528 1.0466 1.0466 1.1226 1.1226 1.3059 1.3059 1.3649 1.3649 1.3988 1.3988 1.9047 1.9047 2.1688 2.1688 2.2167 2.2167 2.2853 2.2853 2.6290 2.6290 2.7527 2.7527 2.7683 2.7683 6.5970 6.5970 6.6604 6.6604 6.7730 6.7730 6.9781 6.9781 7.3226 7.3226 k = 0.3333 0.5774 0.1514 ( 9996 PWs) bands (ev): -10.6871 -10.6871 -10.6781 -10.6781 -10.5527 -10.5527 -10.1591 -10.1591 -10.1563 -10.1563 -10.0746 -10.0746 -0.1306 -0.1306 -0.1236 -0.1236 -0.0786 -0.0786 0.5924 0.5924 0.7146 0.7146 0.7336 0.7336 1.0737 1.0737 1.1306 1.1306 1.3023 1.3023 1.3528 1.3528 1.3805 1.3805 1.8757 1.8757 2.1876 2.1876 2.2341 2.2341 2.3013 2.3013 2.6194 2.6194 2.7397 2.7397 2.7613 2.7613 6.6091 6.6091 6.6711 6.6711 6.7751 6.7751 7.0169 7.0169 7.3155 7.3155 k = 0.3333 0.5774 0.1767 ( 9990 PWs) bands (ev): -10.6821 -10.6821 -10.6732 -10.6732 -10.5501 -10.5501 -10.1613 -10.1613 -10.1587 -10.1587 -10.0785 -10.0785 -0.1380 -0.1380 -0.1310 -0.1310 -0.0833 -0.0833 0.6109 0.6109 0.6957 0.6957 0.7128 0.7128 1.0995 1.0995 1.1369 1.1369 1.3012 1.3012 1.3388 1.3388 1.3619 1.3619 1.8463 1.8463 2.2046 2.2046 2.2525 2.2525 2.3166 2.3166 2.6097 2.6097 2.7251 2.7251 2.7546 2.7546 6.6233 6.6233 6.6839 6.6839 6.7794 6.7794 7.0588 7.0588 7.3112 7.3113 k = 0.3333 0.5774 0.2019 ( 10005 PWs) bands (ev): -10.6763 -10.6763 -10.6676 -10.6676 -10.5471 -10.5471 -10.1640 -10.1640 -10.1614 -10.1614 -10.0829 -10.0829 -0.1541 -0.1541 -0.1318 -0.1318 -0.0878 -0.0878 0.6242 0.6242 0.6842 0.6842 0.6906 0.6906 1.1231 1.1231 1.1411 1.1411 1.3037 1.3037 1.3224 1.3224 1.3450 1.3450 1.8169 1.8169 2.2192 2.2192 2.2711 2.2711 2.3302 2.3302 2.6008 2.6008 2.7095 2.7095 2.7490 2.7490 6.6392 6.6392 6.6986 6.6986 6.7857 6.7857 7.1030 7.1030 7.3099 7.3099 k = 0.3333 0.5774 0.2271 ( 9993 PWs) bands (ev): -10.6699 -10.6699 -10.6613 -10.6613 -10.5437 -10.5437 -10.1669 -10.1669 -10.1645 -10.1645 -10.0879 -10.0879 -0.1707 -0.1707 -0.1334 -0.1334 -0.0926 -0.0926 0.6235 0.6235 0.6675 0.6675 0.6882 0.6882 1.1434 1.1434 1.1436 1.1436 1.3024 1.3024 1.3097 1.3097 1.3327 1.3327 1.7877 1.7877 2.2308 2.2308 2.2887 2.2887 2.3410 2.3410 2.5935 2.5935 2.6935 2.6935 2.7451 2.7451 6.6569 6.6569 6.7154 6.7154 6.7939 6.7939 7.1483 7.1483 7.3116 7.3116 k = 0.3333 0.5774 0.2524 ( 9990 PWs) bands (ev): -10.6628 -10.6628 -10.6543 -10.6543 -10.5399 -10.5399 -10.1702 -10.1702 -10.1679 -10.1679 -10.0934 -10.0934 -0.1872 -0.1872 -0.1359 -0.1359 -0.0983 -0.0983 0.6113 0.6113 0.6434 0.6434 0.7048 0.7048 1.1452 1.1452 1.1587 1.1587 1.2786 1.2786 1.3190 1.3190 1.3272 1.3272 1.7592 1.7592 2.2390 2.2390 2.3042 2.3042 2.3478 2.3478 2.5885 2.5885 2.6781 2.6781 2.7437 2.7437 6.6759 6.6759 6.7343 6.7343 6.8038 6.8038 7.1928 7.1928 7.3162 7.3162 k = 0.3333 0.5774 0.2776 ( 10020 PWs) bands (ev): -10.6551 -10.6551 -10.6468 -10.6468 -10.5358 -10.5358 -10.1739 -10.1739 -10.1718 -10.1718 -10.0994 -10.0994 -0.2032 -0.2032 -0.1393 -0.1393 -0.1050 -0.1050 0.5952 0.5952 0.6185 0.6185 0.7259 0.7259 1.1470 1.1470 1.1680 1.1680 1.2515 1.2515 1.3296 1.3296 1.3308 1.3308 1.7316 1.7316 2.2436 2.2436 2.3164 2.3164 2.3497 2.3497 2.5867 2.5867 2.6641 2.6641 2.7453 2.7453 6.6961 6.6961 6.7553 6.7553 6.8155 6.8155 7.2338 7.2338 7.3236 7.3236 k = 0.3333 0.5774 0.3028 ( 10014 PWs) bands (ev): -10.6467 -10.6467 -10.6386 -10.6386 -10.5313 -10.5313 -10.1779 -10.1779 -10.1759 -10.1759 -10.1059 -10.1059 -0.2182 -0.2182 -0.1438 -0.1438 -0.1128 -0.1128 0.5780 0.5780 0.5928 0.5928 0.7480 0.7480 1.1502 1.1502 1.1713 1.1713 1.2221 1.2221 1.3394 1.3394 1.3445 1.3445 1.7053 1.7053 2.2446 2.2446 2.3241 2.3241 2.3465 2.3465 2.5882 2.5882 2.6527 2.6527 2.7499 2.7499 6.7169 6.7169 6.7784 6.7784 6.8293 6.8293 7.2680 7.2680 7.3335 7.3335 k = 0.3333 0.5774 0.3281 ( 10023 PWs) bands (ev): -10.6378 -10.6378 -10.6299 -10.6299 -10.5263 -10.5263 -10.1823 -10.1823 -10.1804 -10.1804 -10.1129 -10.1129 -0.2320 -0.2320 -0.1493 -0.1493 -0.1216 -0.1216 0.5602 0.5602 0.5665 0.5665 0.7700 0.7700 1.1553 1.1553 1.1664 1.1664 1.1946 1.1946 1.3550 1.3550 1.3596 1.3596 1.6807 1.6807 2.2421 2.2421 2.3262 2.3262 2.3386 2.3386 2.5931 2.5931 2.6448 2.6448 2.7571 2.7571 6.7378 6.7378 6.8036 6.8036 6.8453 6.8453 7.2946 7.2946 7.3458 7.3458 k = 0.3333 0.5774 0.3533 ( 10008 PWs) bands (ev): -10.6284 -10.6284 -10.6206 -10.6206 -10.5211 -10.5211 -10.1870 -10.1870 -10.1853 -10.1853 -10.1204 -10.1204 -0.2444 -0.2444 -0.1560 -0.1560 -0.1316 -0.1316 0.5398 0.5398 0.5421 0.5421 0.7915 0.7915 1.1413 1.1413 1.1631 1.1631 1.1835 1.1835 1.3739 1.3739 1.3755 1.3755 1.6582 1.6582 2.2361 2.2361 2.3221 2.3221 2.3273 2.3273 2.6005 2.6005 2.6410 2.6410 2.7665 2.7665 6.7582 6.7582 6.8307 6.8307 6.8641 6.8641 7.3158 7.3158 7.3602 7.3602 k = 0.3333 0.5774 0.3785 ( 10014 PWs) bands (ev): -10.6184 -10.6184 -10.6109 -10.6109 -10.5154 -10.5154 -10.1920 -10.1920 -10.1906 -10.1906 -10.1283 -10.1283 -0.2552 -0.2552 -0.1637 -0.1637 -0.1423 -0.1423 0.5128 0.5128 0.5234 0.5234 0.8120 0.8120 1.1038 1.1038 1.1736 1.1736 1.1829 1.1829 1.3922 1.3922 1.3942 1.3942 1.6385 1.6385 2.2261 2.2261 2.3118 2.3118 2.3148 2.3148 2.6098 2.6098 2.6411 2.6411 2.7774 2.7774 6.7775 6.7775 6.8598 6.8598 6.8860 6.8860 7.3346 7.3346 7.3764 7.3764 k = 0.3333 0.5774 0.4038 ( 10005 PWs) bands (ev): -10.6080 -10.6080 -10.6007 -10.6007 -10.5094 -10.5094 -10.1975 -10.1975 -10.1961 -10.1961 -10.1366 -10.1366 -0.2644 -0.2644 -0.1725 -0.1725 -0.1538 -0.1538 0.4857 0.4857 0.5042 0.5042 0.8310 0.8310 1.0624 1.0624 1.1859 1.1859 1.1870 1.1870 1.4095 1.4095 1.4143 1.4143 1.6222 1.6222 2.2115 2.2115 2.2962 2.2962 2.3032 2.3032 2.6199 2.6199 2.6444 2.6444 2.7889 2.7889 6.7957 6.7957 6.8907 6.8907 6.9112 6.9112 7.3527 7.3527 7.3942 7.3942 k = 0.3333 0.5774 0.4290 ( 10014 PWs) bands (ev): -10.5972 -10.5972 -10.5902 -10.5902 -10.5030 -10.5030 -10.2033 -10.2033 -10.2021 -10.2021 -10.1453 -10.1453 -0.2719 -0.2719 -0.1821 -0.1821 -0.1655 -0.1655 0.4587 0.4587 0.4845 0.4845 0.8478 0.8478 1.0195 1.0195 1.1914 1.1914 1.2029 1.2029 1.4272 1.4272 1.4322 1.4322 1.6105 1.6105 2.1922 2.1922 2.2763 2.2763 2.2943 2.2943 2.6302 2.6302 2.6500 2.6500 2.8005 2.8005 6.8129 6.8129 6.9233 6.9233 6.9395 6.9395 7.3706 7.3706 7.4133 7.4133 k = 0.3333 0.5774 0.4542 ( 10020 PWs) bands (ev): -10.5860 -10.5860 -10.5792 -10.5792 -10.4963 -10.4963 -10.2094 -10.2094 -10.2083 -10.2083 -10.1543 -10.1543 -0.2779 -0.2779 -0.1925 -0.1925 -0.1773 -0.1773 0.4321 0.4321 0.4644 0.4644 0.8596 0.8596 0.9785 0.9785 1.1993 1.1993 1.2211 1.2211 1.4455 1.4455 1.4459 1.4459 1.6052 1.6052 2.1689 2.1689 2.2534 2.2534 2.2888 2.2888 2.6400 2.6400 2.6566 2.6566 2.8115 2.8115 6.8294 6.8294 6.9574 6.9574 6.9705 6.9705 7.3888 7.3888 7.4335 7.4335 k = 0.3333 0.5774 0.4795 ( 10008 PWs) bands (ev): -10.5745 -10.5745 -10.5679 -10.5679 -10.4892 -10.4892 -10.2159 -10.2159 -10.2150 -10.2150 -10.1637 -10.1637 -0.2824 -0.2824 -0.2035 -0.2035 -0.1885 -0.1885 0.4062 0.4062 0.4442 0.4442 0.8574 0.8574 0.9488 0.9488 1.2091 1.2091 1.2410 1.2410 1.4534 1.4534 1.4644 1.4644 1.6077 1.6077 2.1426 2.1426 2.2285 2.2285 2.2866 2.2866 2.6488 2.6488 2.6634 2.6634 2.8215 2.8215 6.8459 6.8459 6.9927 6.9927 7.0036 7.0036 7.4073 7.4073 7.4547 7.4547 k = 0.3333 0.5774 0.5047 ( 10017 PWs) bands (ev): -10.5626 -10.5626 -10.5564 -10.5564 -10.4818 -10.4818 -10.2227 -10.2227 -10.2219 -10.2219 -10.1735 -10.1735 -0.2860 -0.2860 -0.2150 -0.2150 -0.1985 -0.1985 0.3811 0.3811 0.4240 0.4240 0.8298 0.8298 0.9426 0.9426 1.2203 1.2203 1.2620 1.2620 1.4541 1.4541 1.4840 1.4840 1.6183 1.6183 2.1149 2.1149 2.2025 2.2025 2.2874 2.2874 2.6563 2.6563 2.6696 2.6696 2.8301 2.8301 6.8627 6.8627 7.0291 7.0291 7.0383 7.0383 7.4257 7.4257 7.4765 7.4765 k = 0.3333 0.5774 0.5300 ( 10017 PWs) bands (ev): -10.5506 -10.5506 -10.5446 -10.5446 -10.4740 -10.4740 -10.2299 -10.2299 -10.2292 -10.2292 -10.1835 -10.1835 -0.2893 -0.2893 -0.2267 -0.2267 -0.2063 -0.2063 0.3570 0.3570 0.4041 0.4041 0.7853 0.7853 0.9514 0.9514 1.2326 1.2326 1.2835 1.2835 1.4495 1.4495 1.5044 1.5044 1.6351 1.6351 2.0867 2.0867 2.1763 2.1763 2.2909 2.2909 2.6622 2.6622 2.6748 2.6748 2.8369 2.8369 6.8802 6.8802 7.0663 7.0663 7.0744 7.0744 7.4440 7.4440 7.4989 7.4989 k = 0.3333 0.5774 0.5552 ( 9999 PWs) bands (ev): -10.5383 -10.5383 -10.5326 -10.5326 -10.4660 -10.4660 -10.2374 -10.2374 -10.2368 -10.2368 -10.1937 -10.1937 -0.2931 -0.2931 -0.2386 -0.2386 -0.2109 -0.2109 0.3342 0.3342 0.3848 0.3848 0.7347 0.7347 0.9652 0.9652 1.2452 1.2452 1.3049 1.3049 1.4415 1.4415 1.5257 1.5257 1.6556 1.6556 2.0592 2.0592 2.1506 2.1506 2.2968 2.2968 2.6663 2.6663 2.6785 2.6785 2.8417 2.8417 6.8988 6.8988 7.1040 7.1040 7.1113 7.1113 7.4616 7.4616 7.5215 7.5215 k = 0.3333 0.5774 0.5804 ( 9999 PWs) bands (ev): -10.5259 -10.5259 -10.5205 -10.5205 -10.4576 -10.4576 -10.2453 -10.2453 -10.2447 -10.2447 -10.2042 -10.2042 -0.2984 -0.2984 -0.2505 -0.2505 -0.2113 -0.2113 0.3128 0.3128 0.3662 0.3662 0.6818 0.6818 0.9805 0.9805 1.2577 1.2577 1.3255 1.3255 1.4319 1.4319 1.5479 1.5479 1.6776 1.6776 2.0335 2.0335 2.1258 2.1258 2.3051 2.3051 2.6685 2.6685 2.6805 2.6805 2.8445 2.8445 6.9187 6.9187 7.1419 7.1419 7.1487 7.1487 7.4781 7.4781 7.5441 7.5441 k = 0.3333 0.5774 0.6057 ( 9987 PWs) bands (ev): -10.5133 -10.5133 -10.5082 -10.5082 -10.4489 -10.4489 -10.2535 -10.2535 -10.2530 -10.2530 -10.2149 -10.2149 -0.3052 -0.3052 -0.2621 -0.2621 -0.2070 -0.2070 0.2930 0.2930 0.3486 0.3486 0.6280 0.6280 0.9963 0.9963 1.2690 1.2690 1.3447 1.3447 1.4221 1.4221 1.5709 1.5709 1.6989 1.6989 2.0108 2.0108 2.1025 2.1025 2.3154 2.3154 2.6688 2.6688 2.6807 2.6807 2.8451 2.8451 6.9400 6.9400 7.1797 7.1797 7.1863 7.1863 7.4924 7.4924 7.5665 7.5665 k = 0.3333 0.5774 0.6309 ( 9984 PWs) bands (ev): -10.5007 -10.5007 -10.4959 -10.4959 -10.4400 -10.4400 -10.2620 -10.2620 -10.2615 -10.2615 -10.2257 -10.2257 -0.3132 -0.3132 -0.2734 -0.2734 -0.1984 -0.1984 0.2747 0.2747 0.3321 0.3321 0.5740 0.5740 1.0122 1.0122 1.2783 1.2783 1.3623 1.3623 1.4135 1.4135 1.5944 1.5944 1.7174 1.7174 1.9928 1.9928 2.0812 2.0812 2.3276 2.3276 2.6670 2.6670 2.6792 2.6792 2.8437 2.8437 6.9628 6.9628 7.2170 7.2170 7.2238 7.2238 7.5031 7.5031 7.5884 7.5884 k = 0.3333 0.5774 0.6561 ( 9987 PWs) bands (ev): -10.4881 -10.4881 -10.4836 -10.4836 -10.4308 -10.4308 -10.2707 -10.2707 -10.2703 -10.2703 -10.2367 -10.2367 -0.3220 -0.3220 -0.2842 -0.2842 -0.1857 -0.1857 0.2581 0.2581 0.3168 0.3168 0.5205 0.5205 1.0282 1.0282 1.2842 1.2842 1.3779 1.3779 1.4074 1.4074 1.6179 1.6179 1.7310 1.7310 1.9811 1.9811 2.0623 2.0623 2.3415 2.3415 2.6633 2.6633 2.6761 2.6761 2.8404 2.8404 6.9871 6.9871 7.2534 7.2534 7.2609 7.2609 7.5083 7.5083 7.5998 7.5998 k = 0.3333 0.5774 0.6814 ( 9981 PWs) bands (ev): -10.4756 -10.4756 -10.4713 -10.4713 -10.4213 -10.4213 -10.2798 -10.2798 -10.2793 -10.2793 -10.2478 -10.2478 -0.3308 -0.3308 -0.2943 -0.2943 -0.1696 -0.1696 0.2433 0.2433 0.3028 0.3028 0.4678 0.4678 1.0442 1.0442 1.2856 1.2856 1.3915 1.3915 1.4049 1.4049 1.6407 1.6407 1.7380 1.7380 1.9771 1.9771 2.0461 2.0461 2.3566 2.3566 2.6578 2.6578 2.6714 2.6714 2.8353 2.8353 7.0129 7.0129 7.2886 7.2886 7.2972 7.2972 7.5062 7.5062 7.5994 7.5994 k = 0.3333 0.5774 0.7066 ( 9975 PWs) bands (ev): -10.4631 -10.4631 -10.4591 -10.4591 -10.4115 -10.4115 -10.2890 -10.2890 -10.2886 -10.2886 -10.2590 -10.2590 -0.3392 -0.3392 -0.3035 -0.3035 -0.1504 -0.1504 0.2302 0.2302 0.2901 0.2901 0.4166 0.4166 1.0601 1.0601 1.2821 1.2821 1.4031 1.4031 1.4065 1.4065 1.6621 1.6621 1.7380 1.7380 1.9808 1.9808 2.0330 2.0330 2.3728 2.3728 2.6506 2.6506 2.6657 2.6657 2.8289 2.8289 7.0400 7.0400 7.3221 7.3221 7.3321 7.3321 7.4968 7.4968 7.6012 7.6012 k = 0.3333 0.5774 0.7318 ( 9990 PWs) bands (ev): -10.4509 -10.4509 -10.4471 -10.4471 -10.4016 -10.4016 -10.2985 -10.2985 -10.2980 -10.2980 -10.2703 -10.2703 -0.3470 -0.3470 -0.3119 -0.3119 -0.1285 -0.1285 0.2189 0.2189 0.2782 0.2782 0.3674 0.3674 1.0759 1.0759 1.2742 1.2742 1.4115 1.4115 1.4127 1.4127 1.6814 1.6814 1.7323 1.7323 1.9905 1.9905 2.0231 2.0231 2.3895 2.3895 2.6421 2.6421 2.6591 2.6591 2.8215 2.8215 7.0681 7.0681 7.3532 7.3532 7.3646 7.3646 7.4822 7.4822 7.6036 7.6036 k = 0.3333 0.5774 0.7571 ( 9999 PWs) bands (ev): -10.4390 -10.4390 -10.4354 -10.4354 -10.3914 -10.3914 -10.3080 -10.3080 -10.3075 -10.3075 -10.2816 -10.2816 -0.3540 -0.3540 -0.3191 -0.3191 -0.1040 -0.1040 0.2094 0.2094 0.2658 0.2658 0.3220 0.3220 1.0916 1.0916 1.2633 1.2633 1.4185 1.4185 1.4206 1.4206 1.6979 1.6979 1.7231 1.7231 2.0037 2.0037 2.0163 2.0163 2.4063 2.4063 2.6325 2.6325 2.6522 2.6522 2.8137 2.8137 7.0970 7.0970 7.3814 7.3814 7.3920 7.3920 7.4668 7.4668 7.6050 7.6050 k = 0.3333 0.5774 0.7823 ( 10008 PWs) bands (ev): -10.4275 -10.4275 -10.4241 -10.4241 -10.3810 -10.3810 -10.3174 -10.3174 -10.3169 -10.3169 -10.2929 -10.2929 -0.3598 -0.3598 -0.3252 -0.3252 -0.0776 -0.0776 0.2016 0.2016 0.2473 0.2473 0.2868 0.2868 1.1072 1.1072 1.2504 1.2504 1.4262 1.4262 1.4269 1.4269 1.7112 1.7112 1.7125 1.7125 2.0122 2.0122 2.0179 2.0179 2.4226 2.4226 2.6223 2.6223 2.6456 2.6456 2.8061 2.8061 7.1259 7.1259 7.4044 7.4044 7.4060 7.4060 7.4617 7.4617 7.6042 7.6042 k = 0.3333 0.5774 0.8076 ( 10005 PWs) bands (ev): -10.4169 -10.4169 -10.4136 -10.4136 -10.3704 -10.3704 -10.3265 -10.3265 -10.3260 -10.3260 -10.3042 -10.3042 -0.3645 -0.3645 -0.3300 -0.3300 -0.0499 -0.0499 0.1956 0.1956 0.2154 0.2154 0.2696 0.2696 1.1223 1.1223 1.2368 1.2368 1.4316 1.4316 1.4335 1.4335 1.7024 1.7024 1.7213 1.7213 2.0103 2.0103 2.0309 2.0309 2.4375 2.4375 2.6123 2.6123 2.6396 2.6396 2.7992 2.7992 7.1540 7.1540 7.3936 7.3936 7.4262 7.4262 7.4759 7.4759 7.6007 7.6007 k = 0.3333 0.5774 0.8328 ( 10017 PWs) bands (ev): -10.4077 -10.4077 -10.4043 -10.4043 -10.3597 -10.3597 -10.3346 -10.3346 -10.3342 -10.3342 -10.3154 -10.3154 -0.3679 -0.3679 -0.3335 -0.3335 -0.0225 -0.0225 0.1801 0.1801 0.1913 0.1913 0.2622 0.2622 1.1363 1.1363 1.2236 1.2236 1.4348 1.4348 1.4395 1.4395 1.6941 1.6941 1.7283 1.7283 2.0098 2.0098 2.0414 2.0414 2.4500 2.4500 2.6035 2.6035 2.6350 2.6350 2.7937 2.7937 7.1794 7.1794 7.3746 7.3746 7.4414 7.4414 7.4958 7.4958 7.5948 7.5948 k = 0.3333 0.5774 0.8580 ( 10026 PWs) bands (ev): -10.4009 -10.4009 -10.3975 -10.3975 -10.3489 -10.3489 -10.3407 -10.3407 -10.3404 -10.3404 -10.3265 -10.3265 -0.3700 -0.3700 -0.3356 -0.3356 0.0007 0.0007 0.1512 0.1512 0.1888 0.1888 0.2587 0.2587 1.1475 1.1475 1.2127 1.2127 1.4367 1.4367 1.4434 1.4434 1.6887 1.6887 1.7323 1.7323 2.0099 2.0099 2.0480 2.0480 2.4584 2.4584 2.5972 2.5972 2.6319 2.6319 2.7902 2.7902 7.1986 7.1986 7.3581 7.3581 7.4508 7.4508 7.5120 7.5120 7.5882 7.5882 k = 0.3333 0.5774 0.8833 ( 10026 PWs) bands (ev): -10.3983 -10.3983 -10.3949 -10.3949 -10.3430 -10.3430 -10.3429 -10.3429 -10.3394 -10.3394 -10.3360 -10.3360 -0.3707 -0.3707 -0.3363 -0.3363 0.0109 0.0109 0.1391 0.1391 0.1879 0.1879 0.2575 0.2575 1.1522 1.1522 1.2081 1.2081 1.4374 1.4374 1.4448 1.4448 1.6868 1.6868 1.7336 1.7336 2.0100 2.0100 2.0503 2.0503 2.4615 2.4615 2.5949 2.5949 2.6309 2.6309 2.7890 2.7890 7.2062 7.2062 7.3513 7.3513 7.4540 7.4540 7.5185 7.5185 7.5849 7.5849 Writing output data file LaBr3.save init_run : 2.90s CPU 13.02s WALL ( 1 calls) electrons : 1398.85s CPU 1414.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 1398.79s CPU 1414.27s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.14s CPU 0.51s WALL ( 1 calls) newd : 0.30s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.12s WALL ( 242 calls) cegterg : 1336.13s CPU 1349.05s WALL ( 968 calls) Called by sum_band: Called by *egterg: h_psi : 657.18s CPU 668.01s WALL ( 18423 calls) s_psi : 37.94s CPU 38.36s WALL ( 18423 calls) g_psi : 2.04s CPU 2.13s WALL ( 17213 calls) cdiaghg : 405.04s CPU 401.14s WALL ( 17455 calls) cegterg:over : 124.89s CPU 121.33s WALL ( 17213 calls) cegterg:upda : 46.37s CPU 51.93s WALL ( 17213 calls) cegterg:last : 36.42s CPU 37.47s WALL ( 2656 calls) Called by h_psi: h_psi:vloc : 536.93s CPU 545.93s WALL ( 18423 calls) h_psi:vnl : 119.23s CPU 120.06s WALL ( 18423 calls) add_vuspsi : 39.96s CPU 45.28s WALL ( 18423 calls) General routines calbec : 79.21s CPU 74.66s WALL ( 18423 calls) fft : 0.20s CPU 1.19s WALL ( 19 calls) ffts : 0.02s CPU 0.06s WALL ( 4 calls) fftw : 512.28s CPU 519.21s WALL ( 1705192 calls) interpolate : 0.06s CPU 0.10s WALL ( 4 calls) davcio : 0.03s CPU 1.43s WALL ( 484 calls) Parallel routines fft_scatter : 310.14s CPU 316.28s WALL ( 1705215 calls) PWSCF : 24m24.69s CPU 27m 6.92s WALL This run was terminated on: 8: 4:11 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=