Program PWSCF v.5.4.0 starts on 20Mar2017 at 20:25:12 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaI2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 43 12 1588 1103 166 Max 57 44 13 1591 1119 169 Sum 3985 3115 889 114391 79881 12081 bravais-lattice index = 14 lattice parameter (alat) = 17.2759 a.u. unit-cell volume = 2526.6905 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.275875 celldm(2)= 1.000000 celldm(3)= 0.565850 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 0.565850 ) 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 1.767253 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) I 7.00 126.90450 I( 1.00) 12 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 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 = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 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 = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 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 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2'-3C2' 2 5 -6 -2 6 -5 180 deg rotation - cart. axis [1,0,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 -12 -11 11 12 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 212 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 2) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0047170 k( 3) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0047170 k( 4) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0047170 k( 5) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0047170 k( 6) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0047170 k( 7) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0047170 k( 8) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0047170 k( 9) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0047170 k( 10) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0047170 k( 11) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0047170 k( 12) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0047170 k( 13) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0047170 k( 14) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0047170 k( 15) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0047170 k( 16) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0047170 k( 17) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0047170 k( 18) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0047170 k( 19) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0047170 k( 20) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0047170 k( 21) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047170 k( 22) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047170 k( 23) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0047170 k( 24) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0047170 k( 25) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0047170 k( 26) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0047170 k( 27) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0047170 k( 28) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0047170 k( 29) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0047170 k( 30) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0047170 k( 31) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0047170 k( 32) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0047170 k( 33) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0047170 k( 34) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047170 k( 35) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047170 k( 36) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0047170 k( 37) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0047170 k( 38) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0047170 k( 39) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0047170 k( 40) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0047170 k( 41) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0047170 k( 42) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0047170 k( 43) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0047170 k( 44) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0047170 k( 45) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0047170 k( 46) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0047170 k( 47) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0047170 k( 48) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0047170 k( 49) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0047170 k( 50) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0047170 k( 51) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0047170 k( 52) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0047170 k( 53) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0047170 k( 54) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0047170 k( 55) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0047170 k( 56) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0047170 k( 57) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0047170 k( 58) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 59) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 60) = ( 0.0000000 0.0000000 0.0285041), wk = 0.0047170 k( 61) = ( 0.0000000 0.0000000 0.0570082), wk = 0.0047170 k( 62) = ( 0.0000000 0.0000000 0.0855122), wk = 0.0047170 k( 63) = ( 0.0000000 0.0000000 0.1140163), wk = 0.0047170 k( 64) = ( 0.0000000 0.0000000 0.1425204), wk = 0.0047170 k( 65) = ( 0.0000000 0.0000000 0.1710245), wk = 0.0047170 k( 66) = ( 0.0000000 0.0000000 0.1995286), wk = 0.0047170 k( 67) = ( 0.0000000 0.0000000 0.2280327), wk = 0.0047170 k( 68) = ( 0.0000000 0.0000000 0.2565367), wk = 0.0047170 k( 69) = ( 0.0000000 0.0000000 0.2850408), wk = 0.0047170 k( 70) = ( 0.0000000 0.0000000 0.3135449), wk = 0.0047170 k( 71) = ( 0.0000000 0.0000000 0.3420490), wk = 0.0047170 k( 72) = ( 0.0000000 0.0000000 0.3705531), wk = 0.0047170 k( 73) = ( 0.0000000 0.0000000 0.3990571), wk = 0.0047170 k( 74) = ( 0.0000000 0.0000000 0.4275612), wk = 0.0047170 k( 75) = ( 0.0000000 0.0000000 0.4560653), wk = 0.0047170 k( 76) = ( 0.0000000 0.0000000 0.4845694), wk = 0.0047170 k( 77) = ( 0.0000000 0.0000000 0.5130735), wk = 0.0047170 k( 78) = ( 0.0000000 0.0000000 0.5415775), wk = 0.0047170 k( 79) = ( 0.0000000 0.0000000 0.5700816), wk = 0.0047170 k( 80) = ( 0.0000000 0.0000000 0.5985857), wk = 0.0047170 k( 81) = ( 0.0000000 0.0000000 0.6270898), wk = 0.0047170 k( 82) = ( 0.0000000 0.0000000 0.6555939), wk = 0.0047170 k( 83) = ( 0.0000000 0.0000000 0.6840979), wk = 0.0047170 k( 84) = ( 0.0000000 0.0000000 0.7126020), wk = 0.0047170 k( 85) = ( 0.0000000 0.0000000 0.7411061), wk = 0.0047170 k( 86) = ( 0.0000000 0.0000000 0.7696102), wk = 0.0047170 k( 87) = ( 0.0000000 0.0000000 0.7981143), wk = 0.0047170 k( 88) = ( 0.0000000 0.0000000 0.8266184), wk = 0.0047170 k( 89) = ( 0.0000000 0.0000000 0.8551224), wk = 0.0047170 k( 90) = ( 0.0000000 0.0000000 0.8836265), wk = 0.0047170 k( 91) = ( 0.0000000 0.0000000 0.8836265), wk = 0.0047170 k( 92) = ( 0.0250000 0.0144338 0.8836265), wk = 0.0047170 k( 93) = ( 0.0500000 0.0288675 0.8836265), wk = 0.0047170 k( 94) = ( 0.0750000 0.0433013 0.8836265), wk = 0.0047170 k( 95) = ( 0.1000000 0.0577350 0.8836265), wk = 0.0047170 k( 96) = ( 0.1250000 0.0721688 0.8836265), wk = 0.0047170 k( 97) = ( 0.1500000 0.0866025 0.8836265), wk = 0.0047170 k( 98) = ( 0.1750000 0.1010363 0.8836265), wk = 0.0047170 k( 99) = ( 0.2000000 0.1154701 0.8836265), wk = 0.0047170 k( 100) = ( 0.2250000 0.1299038 0.8836265), wk = 0.0047170 k( 101) = ( 0.2500000 0.1443376 0.8836265), wk = 0.0047170 k( 102) = ( 0.2750000 0.1587713 0.8836265), wk = 0.0047170 k( 103) = ( 0.3000000 0.1732051 0.8836265), wk = 0.0047170 k( 104) = ( 0.3250000 0.1876388 0.8836265), wk = 0.0047170 k( 105) = ( 0.3500000 0.2020726 0.8836265), wk = 0.0047170 k( 106) = ( 0.3750000 0.2165064 0.8836265), wk = 0.0047170 k( 107) = ( 0.4000000 0.2309401 0.8836265), wk = 0.0047170 k( 108) = ( 0.4250000 0.2453739 0.8836265), wk = 0.0047170 k( 109) = ( 0.4500000 0.2598076 0.8836265), wk = 0.0047170 k( 110) = ( 0.4750000 0.2742414 0.8836265), wk = 0.0047170 k( 111) = ( 0.5000000 0.2886751 0.8836265), wk = 0.0047170 k( 112) = ( 0.5000000 0.2886751 0.8836265), wk = 0.0047170 k( 113) = ( 0.4861111 0.3127314 0.8836265), wk = 0.0047170 k( 114) = ( 0.4722222 0.3367877 0.8836265), wk = 0.0047170 k( 115) = ( 0.4583333 0.3608439 0.8836265), wk = 0.0047170 k( 116) = ( 0.4444444 0.3849002 0.8836265), wk = 0.0047170 k( 117) = ( 0.4305556 0.4089564 0.8836265), wk = 0.0047170 k( 118) = ( 0.4166667 0.4330127 0.8836265), wk = 0.0047170 k( 119) = ( 0.4027778 0.4570690 0.8836265), wk = 0.0047170 k( 120) = ( 0.3888889 0.4811252 0.8836265), wk = 0.0047170 k( 121) = ( 0.3750000 0.5051815 0.8836265), wk = 0.0047170 k( 122) = ( 0.3611111 0.5292377 0.8836265), wk = 0.0047170 k( 123) = ( 0.3472222 0.5532940 0.8836265), wk = 0.0047170 k( 124) = ( 0.3333333 0.5773503 0.8836265), wk = 0.0047170 k( 125) = ( 0.3333333 0.5773503 0.8836265), wk = 0.0047170 k( 126) = ( 0.3188406 0.5522481 0.8836265), wk = 0.0047170 k( 127) = ( 0.3043478 0.5271459 0.8836265), wk = 0.0047170 k( 128) = ( 0.2898551 0.5020437 0.8836265), wk = 0.0047170 k( 129) = ( 0.2753623 0.4769415 0.8836265), wk = 0.0047170 k( 130) = ( 0.2608696 0.4518393 0.8836265), wk = 0.0047170 k( 131) = ( 0.2463768 0.4267372 0.8836265), wk = 0.0047170 k( 132) = ( 0.2318841 0.4016350 0.8836265), wk = 0.0047170 k( 133) = ( 0.2173913 0.3765328 0.8836265), wk = 0.0047170 k( 134) = ( 0.2028986 0.3514306 0.8836265), wk = 0.0047170 k( 135) = ( 0.1884058 0.3263284 0.8836265), wk = 0.0047170 k( 136) = ( 0.1739130 0.3012262 0.8836265), wk = 0.0047170 k( 137) = ( 0.1594203 0.2761240 0.8836265), wk = 0.0047170 k( 138) = ( 0.1449275 0.2510219 0.8836265), wk = 0.0047170 k( 139) = ( 0.1304348 0.2259197 0.8836265), wk = 0.0047170 k( 140) = ( 0.1159420 0.2008175 0.8836265), wk = 0.0047170 k( 141) = ( 0.1014493 0.1757153 0.8836265), wk = 0.0047170 k( 142) = ( 0.0869565 0.1506131 0.8836265), wk = 0.0047170 k( 143) = ( 0.0724638 0.1255109 0.8836265), wk = 0.0047170 k( 144) = ( 0.0579710 0.1004087 0.8836265), wk = 0.0047170 k( 145) = ( 0.0434783 0.0753066 0.8836265), wk = 0.0047170 k( 146) = ( 0.0289855 0.0502044 0.8836265), wk = 0.0047170 k( 147) = ( 0.0144928 0.0251022 0.8836265), wk = 0.0047170 k( 148) = ( 0.0000000 0.0000000 0.8836265), wk = 0.0047170 k( 149) = ( 0.5000000 0.2886751 0.8836265), wk = 0.0047170 k( 150) = ( 0.5000000 0.2886751 0.8551224), wk = 0.0047170 k( 151) = ( 0.5000000 0.2886751 0.8266184), wk = 0.0047170 k( 152) = ( 0.5000000 0.2886751 0.7981143), wk = 0.0047170 k( 153) = ( 0.5000000 0.2886751 0.7696102), wk = 0.0047170 k( 154) = ( 0.5000000 0.2886751 0.7411061), wk = 0.0047170 k( 155) = ( 0.5000000 0.2886751 0.7126020), wk = 0.0047170 k( 156) = ( 0.5000000 0.2886751 0.6840979), wk = 0.0047170 k( 157) = ( 0.5000000 0.2886751 0.6555939), wk = 0.0047170 k( 158) = ( 0.5000000 0.2886751 0.6270898), wk = 0.0047170 k( 159) = ( 0.5000000 0.2886751 0.5985857), wk = 0.0047170 k( 160) = ( 0.5000000 0.2886751 0.5700816), wk = 0.0047170 k( 161) = ( 0.5000000 0.2886751 0.5415775), wk = 0.0047170 k( 162) = ( 0.5000000 0.2886751 0.5130735), wk = 0.0047170 k( 163) = ( 0.5000000 0.2886751 0.4845694), wk = 0.0047170 k( 164) = ( 0.5000000 0.2886751 0.4560653), wk = 0.0047170 k( 165) = ( 0.5000000 0.2886751 0.4275612), wk = 0.0047170 k( 166) = ( 0.5000000 0.2886751 0.3990571), wk = 0.0047170 k( 167) = ( 0.5000000 0.2886751 0.3705531), wk = 0.0047170 k( 168) = ( 0.5000000 0.2886751 0.3420490), wk = 0.0047170 k( 169) = ( 0.5000000 0.2886751 0.3135449), wk = 0.0047170 k( 170) = ( 0.5000000 0.2886751 0.2850408), wk = 0.0047170 k( 171) = ( 0.5000000 0.2886751 0.2565367), wk = 0.0047170 k( 172) = ( 0.5000000 0.2886751 0.2280327), wk = 0.0047170 k( 173) = ( 0.5000000 0.2886751 0.1995286), wk = 0.0047170 k( 174) = ( 0.5000000 0.2886751 0.1710245), wk = 0.0047170 k( 175) = ( 0.5000000 0.2886751 0.1425204), wk = 0.0047170 k( 176) = ( 0.5000000 0.2886751 0.1140163), wk = 0.0047170 k( 177) = ( 0.5000000 0.2886751 0.0855122), wk = 0.0047170 k( 178) = ( 0.5000000 0.2886751 0.0570082), wk = 0.0047170 k( 179) = ( 0.5000000 0.2886751 0.0285041), wk = 0.0047170 k( 180) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0047170 k( 181) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0047170 k( 182) = ( 0.3333333 0.5773503 0.0285041), wk = 0.0047170 k( 183) = ( 0.3333333 0.5773503 0.0570082), wk = 0.0047170 k( 184) = ( 0.3333333 0.5773503 0.0855122), wk = 0.0047170 k( 185) = ( 0.3333333 0.5773503 0.1140163), wk = 0.0047170 k( 186) = ( 0.3333333 0.5773503 0.1425204), wk = 0.0047170 k( 187) = ( 0.3333333 0.5773503 0.1710245), wk = 0.0047170 k( 188) = ( 0.3333333 0.5773503 0.1995286), wk = 0.0047170 k( 189) = ( 0.3333333 0.5773503 0.2280327), wk = 0.0047170 k( 190) = ( 0.3333333 0.5773503 0.2565367), wk = 0.0047170 k( 191) = ( 0.3333333 0.5773503 0.2850408), wk = 0.0047170 k( 192) = ( 0.3333333 0.5773503 0.3135449), wk = 0.0047170 k( 193) = ( 0.3333333 0.5773503 0.3420490), wk = 0.0047170 k( 194) = ( 0.3333333 0.5773503 0.3705531), wk = 0.0047170 k( 195) = ( 0.3333333 0.5773503 0.3990571), wk = 0.0047170 k( 196) = ( 0.3333333 0.5773503 0.4275612), wk = 0.0047170 k( 197) = ( 0.3333333 0.5773503 0.4560653), wk = 0.0047170 k( 198) = ( 0.3333333 0.5773503 0.4845694), wk = 0.0047170 k( 199) = ( 0.3333333 0.5773503 0.5130735), wk = 0.0047170 k( 200) = ( 0.3333333 0.5773503 0.5415775), wk = 0.0047170 k( 201) = ( 0.3333333 0.5773503 0.5700816), wk = 0.0047170 k( 202) = ( 0.3333333 0.5773503 0.5985857), wk = 0.0047170 k( 203) = ( 0.3333333 0.5773503 0.6270898), wk = 0.0047170 k( 204) = ( 0.3333333 0.5773503 0.6555939), wk = 0.0047170 k( 205) = ( 0.3333333 0.5773503 0.6840979), wk = 0.0047170 k( 206) = ( 0.3333333 0.5773503 0.7126020), wk = 0.0047170 k( 207) = ( 0.3333333 0.5773503 0.7411061), wk = 0.0047170 k( 208) = ( 0.3333333 0.5773503 0.7696102), wk = 0.0047170 k( 209) = ( 0.3333333 0.5773503 0.7981143), wk = 0.0047170 k( 210) = ( 0.3333333 0.5773503 0.8266184), wk = 0.0047170 k( 211) = ( 0.3333333 0.5773503 0.8551224), wk = 0.0047170 k( 212) = ( 0.3333333 0.5773503 0.8836265), wk = 0.0047170 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 2) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0047170 k( 3) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0047170 k( 4) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0047170 k( 5) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0047170 k( 6) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0047170 k( 7) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0047170 k( 8) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0047170 k( 9) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0047170 k( 10) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0047170 k( 11) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0047170 k( 12) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0047170 k( 13) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0047170 k( 14) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0047170 k( 15) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0047170 k( 16) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0047170 k( 17) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0047170 k( 18) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0047170 k( 19) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0047170 k( 20) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0047170 k( 21) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047170 k( 22) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047170 k( 23) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0047170 k( 24) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0047170 k( 25) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0047170 k( 26) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0047170 k( 27) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0047170 k( 28) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0047170 k( 29) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0047170 k( 30) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0047170 k( 31) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0047170 k( 32) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0047170 k( 33) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0047170 k( 34) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0047170 k( 35) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0047170 k( 36) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0047170 k( 37) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0047170 k( 38) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0047170 k( 39) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0047170 k( 40) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0047170 k( 41) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0047170 k( 42) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0047170 k( 43) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0047170 k( 44) = ( 0.2028986 0.2028986 -0.0000000), wk = 0.0047170 k( 45) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0047170 k( 46) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0047170 k( 47) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0047170 k( 48) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0047170 k( 49) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0047170 k( 50) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0047170 k( 51) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0047170 k( 52) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0047170 k( 53) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0047170 k( 54) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0047170 k( 55) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0047170 k( 56) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0047170 k( 57) = ( 0.0144928 0.0144928 -0.0000000), wk = 0.0047170 k( 58) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 59) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047170 k( 60) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0047170 k( 61) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0047170 k( 62) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0047170 k( 63) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0047170 k( 64) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0047170 k( 65) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0047170 k( 66) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0047170 k( 67) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0047170 k( 68) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0047170 k( 69) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0047170 k( 70) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0047170 k( 71) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0047170 k( 72) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0047170 k( 73) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0047170 k( 74) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0047170 k( 75) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0047170 k( 76) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0047170 k( 77) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0047170 k( 78) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0047170 k( 79) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0047170 k( 80) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0047170 k( 81) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0047170 k( 82) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0047170 k( 83) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0047170 k( 84) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0047170 k( 85) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0047170 k( 86) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0047170 k( 87) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0047170 k( 88) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0047170 k( 89) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0047170 k( 90) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047170 k( 91) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047170 k( 92) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0047170 k( 93) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0047170 k( 94) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0047170 k( 95) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0047170 k( 96) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0047170 k( 97) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0047170 k( 98) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0047170 k( 99) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0047170 k( 100) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0047170 k( 101) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0047170 k( 102) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0047170 k( 103) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0047170 k( 104) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0047170 k( 105) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0047170 k( 106) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0047170 k( 107) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0047170 k( 108) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0047170 k( 109) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0047170 k( 110) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0047170 k( 111) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047170 k( 112) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047170 k( 113) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0047170 k( 114) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0047170 k( 115) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0047170 k( 116) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0047170 k( 117) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0047170 k( 118) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0047170 k( 119) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0047170 k( 120) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0047170 k( 121) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0047170 k( 122) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0047170 k( 123) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0047170 k( 124) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047170 k( 125) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047170 k( 126) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0047170 k( 127) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0047170 k( 128) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0047170 k( 129) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0047170 k( 130) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0047170 k( 131) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0047170 k( 132) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0047170 k( 133) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0047170 k( 134) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0047170 k( 135) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0047170 k( 136) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0047170 k( 137) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0047170 k( 138) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0047170 k( 139) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0047170 k( 140) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0047170 k( 141) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0047170 k( 142) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0047170 k( 143) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0047170 k( 144) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0047170 k( 145) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0047170 k( 146) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0047170 k( 147) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0047170 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047170 k( 149) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047170 k( 150) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0047170 k( 151) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0047170 k( 152) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0047170 k( 153) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0047170 k( 154) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0047170 k( 155) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0047170 k( 156) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0047170 k( 157) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0047170 k( 158) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0047170 k( 159) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0047170 k( 160) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0047170 k( 161) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0047170 k( 162) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0047170 k( 163) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0047170 k( 164) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0047170 k( 165) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0047170 k( 166) = ( 0.5000000 0.0000000 0.2258065), wk = 0.0047170 k( 167) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0047170 k( 168) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0047170 k( 169) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0047170 k( 170) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0047170 k( 171) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0047170 k( 172) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0047170 k( 173) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0047170 k( 174) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0047170 k( 175) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0047170 k( 176) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0047170 k( 177) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0047170 k( 178) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0047170 k( 179) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0047170 k( 180) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0047170 k( 181) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0047170 k( 182) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0047170 k( 183) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0047170 k( 184) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0047170 k( 185) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0047170 k( 186) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0047170 k( 187) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0047170 k( 188) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0047170 k( 189) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0047170 k( 190) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0047170 k( 191) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0047170 k( 192) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0047170 k( 193) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0047170 k( 194) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0047170 k( 195) = ( 0.3333333 0.3333333 0.2258065), wk = 0.0047170 k( 196) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0047170 k( 197) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0047170 k( 198) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0047170 k( 199) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0047170 k( 200) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0047170 k( 201) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0047170 k( 202) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0047170 k( 203) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0047170 k( 204) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0047170 k( 205) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0047170 k( 206) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0047170 k( 207) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0047170 k( 208) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0047170 k( 209) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0047170 k( 210) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0047170 k( 211) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0047170 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0047170 Dense grid: 114391 G-vectors FFT dimensions: ( 80, 80, 45) Smooth grid: 79881 G-vectors FFT dimensions: ( 72, 72, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 280, 86) NL pseudopotentials 0.66 Mb ( 140, 309) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.01 Mb ( 1589) G-vector shells 0.01 Mb ( 754) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 280, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.81 Mb ( 309, 2, 86) The potential is recalculated from file : ./BaI2.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 8.9 secs Computing kpt #: 4 total cpu time spent up to now is 10.9 secs Computing kpt #: 5 total cpu time spent up to now is 12.9 secs Computing kpt #: 6 total cpu time spent up to now is 14.9 secs Computing kpt #: 7 total cpu time spent up to now is 16.7 secs Computing kpt #: 8 total cpu time spent up to now is 18.5 secs Computing kpt #: 9 total cpu time spent up to now is 20.5 secs Computing kpt #: 10 total cpu time spent up to now is 22.5 secs Computing kpt #: 11 total cpu time spent up to now is 24.5 secs Computing kpt #: 12 total cpu time spent up to now is 26.6 secs Computing kpt #: 13 total cpu time spent up to now is 28.6 secs Computing kpt #: 14 total cpu time spent up to now is 30.6 secs Computing kpt #: 15 total cpu time spent up to now is 32.7 secs Computing kpt #: 16 total cpu time spent up to now is 34.8 secs Computing kpt #: 17 total cpu time spent up to now is 37.0 secs Computing kpt #: 18 total cpu time spent up to now is 39.4 secs Computing kpt #: 19 total cpu time spent up to now is 41.4 secs Computing kpt #: 20 total cpu time spent up to now is 43.4 secs Computing kpt #: 21 total cpu time spent up to now is 45.4 secs Computing kpt #: 22 total cpu time spent up to now is 47.5 secs Computing kpt #: 23 total cpu time spent up to now is 49.7 secs Computing kpt #: 24 total cpu time spent up to now is 51.6 secs Computing kpt #: 25 total cpu time spent up to now is 53.6 secs Computing kpt #: 26 total cpu time spent up to now is 55.7 secs Computing kpt #: 27 total cpu time spent up to now is 57.8 secs Computing kpt #: 28 total cpu time spent up to now is 59.8 secs Computing kpt #: 29 total cpu time spent up to now is 61.9 secs Computing kpt #: 30 total cpu time spent up to now is 64.0 secs Computing kpt #: 31 total cpu time spent up to now is 66.0 secs Computing kpt #: 32 total cpu time spent up to now is 68.1 secs Computing kpt #: 33 total cpu time spent up to now is 70.2 secs Computing kpt #: 34 total cpu time spent up to now is 72.2 secs Computing kpt #: 35 total cpu time spent up to now is 74.3 secs Computing kpt #: 36 total cpu time spent up to now is 76.5 secs Computing kpt #: 37 total cpu time spent up to now is 78.7 secs Computing kpt #: 38 total cpu time spent up to now is 80.7 secs Computing kpt #: 39 total cpu time spent up to now is 82.7 secs Computing kpt #: 40 total cpu time spent up to now is 84.7 secs Computing kpt #: 41 total cpu time spent up to now is 86.8 secs Computing kpt #: 42 total cpu time spent up to now is 88.8 secs Computing kpt #: 43 total cpu time spent up to now is 90.8 secs Computing kpt #: 44 total cpu time spent up to now is 92.8 secs Computing kpt #: 45 total cpu time spent up to now is 94.6 secs Computing kpt #: 46 total cpu time spent up to now is 96.3 secs Computing kpt #: 47 total cpu time spent up to now is 98.4 secs Computing kpt #: 48 total cpu time spent up to now is 100.4 secs Computing kpt #: 49 total cpu time spent up to now is 102.4 secs Computing kpt #: 50 total cpu time spent up to now is 104.3 secs Computing kpt #: 51 total cpu time spent up to now is 106.1 secs Computing kpt #: 52 total cpu time spent up to now is 107.8 secs Computing kpt #: 53 total cpu time spent up to now is 109.7 secs Computing kpt #: 54 total cpu time spent up to now is 111.7 secs Computing kpt #: 55 total cpu time spent up to now is 113.7 secs Computing kpt #: 56 total cpu time spent up to now is 115.8 secs Computing kpt #: 57 total cpu time spent up to now is 118.2 secs Computing kpt #: 58 total cpu time spent up to now is 120.0 secs Computing kpt #: 59 total cpu time spent up to now is 121.9 secs Computing kpt #: 60 total cpu time spent up to now is 123.9 secs Computing kpt #: 61 total cpu time spent up to now is 125.9 secs Computing kpt #: 62 total cpu time spent up to now is 128.0 secs Computing kpt #: 63 total cpu time spent up to now is 130.1 secs Computing kpt #: 64 total cpu time spent up to now is 132.1 secs Computing kpt #: 65 total cpu time spent up to now is 134.1 secs Computing kpt #: 66 total cpu time spent up to now is 136.2 secs Computing kpt #: 67 total cpu time spent up to now is 138.2 secs Computing kpt #: 68 total cpu time spent up to now is 140.3 secs Computing kpt #: 69 total cpu time spent up to now is 142.2 secs Computing kpt #: 70 total cpu time spent up to now is 144.5 secs Computing kpt #: 71 total cpu time spent up to now is 146.7 secs Computing kpt #: 72 total cpu time spent up to now is 148.8 secs Computing kpt #: 73 total cpu time spent up to now is 150.9 secs Computing kpt #: 74 total cpu time spent up to now is 152.9 secs Computing kpt #: 75 total cpu time spent up to now is 154.9 secs Computing kpt #: 76 total cpu time spent up to now is 156.9 secs Computing kpt #: 77 total cpu time spent up to now is 159.0 secs Computing kpt #: 78 total cpu time spent up to now is 161.1 secs Computing kpt #: 79 total cpu time spent up to now is 163.1 secs Computing kpt #: 80 total cpu time spent up to now is 165.1 secs Computing kpt #: 81 total cpu time spent up to now is 167.1 secs Computing kpt #: 82 total cpu time spent up to now is 169.2 secs Computing kpt #: 83 total cpu time spent up to now is 171.3 secs Computing kpt #: 84 total cpu time spent up to now is 173.5 secs Computing kpt #: 85 total cpu time spent up to now is 175.7 secs Computing kpt #: 86 total cpu time spent up to now is 177.8 secs Computing kpt #: 87 total cpu time spent up to now is 179.9 secs Computing kpt #: 88 total cpu time spent up to now is 181.9 secs Computing kpt #: 89 total cpu time spent up to now is 183.9 secs Computing kpt #: 90 total cpu time spent up to now is 185.9 secs Computing kpt #: 91 total cpu time spent up to now is 187.9 secs Computing kpt #: 92 total cpu time spent up to now is 189.9 secs Computing kpt #: 93 total cpu time spent up to now is 192.0 secs Computing kpt #: 94 total cpu time spent up to now is 194.1 secs Computing kpt #: 95 total cpu time spent up to now is 196.1 secs Computing kpt #: 96 total cpu time spent up to now is 198.1 secs Computing kpt #: 97 total cpu time spent up to now is 200.1 secs Computing kpt #: 98 total cpu time spent up to now is 201.9 secs Computing kpt #: 99 total cpu time spent up to now is 203.9 secs Computing kpt #: 100 total cpu time spent up to now is 205.8 secs Computing kpt #: 101 total cpu time spent up to now is 207.8 secs Computing kpt #: 102 total cpu time spent up to now is 209.6 secs Computing kpt #: 103 total cpu time spent up to now is 211.3 secs Computing kpt #: 104 total cpu time spent up to now is 213.3 secs Computing kpt #: 105 total cpu time spent up to now is 215.1 secs Computing kpt #: 106 total cpu time spent up to now is 217.0 secs Computing kpt #: 107 total cpu time spent up to now is 219.0 secs Computing kpt #: 108 total cpu time spent up to now is 221.0 secs Computing kpt #: 109 total cpu time spent up to now is 223.1 secs Computing kpt #: 110 total cpu time spent up to now is 225.3 secs Computing kpt #: 111 total cpu time spent up to now is 227.5 secs Computing kpt #: 112 total cpu time spent up to now is 229.7 secs Computing kpt #: 113 total cpu time spent up to now is 231.8 secs Computing kpt #: 114 total cpu time spent up to now is 233.9 secs Computing kpt #: 115 total cpu time spent up to now is 236.0 secs Computing kpt #: 116 total cpu time spent up to now is 238.1 secs Computing kpt #: 117 total cpu time spent up to now is 240.1 secs Computing kpt #: 118 total cpu time spent up to now is 242.0 secs Computing kpt #: 119 total cpu time spent up to now is 243.7 secs Computing kpt #: 120 total cpu time spent up to now is 245.5 secs Computing kpt #: 121 total cpu time spent up to now is 247.4 secs Computing kpt #: 122 total cpu time spent up to now is 249.8 secs Computing kpt #: 123 total cpu time spent up to now is 251.8 secs Computing kpt #: 124 total cpu time spent up to now is 254.1 secs Computing kpt #: 125 total cpu time spent up to now is 255.9 secs Computing kpt #: 126 total cpu time spent up to now is 257.6 secs Computing kpt #: 127 total cpu time spent up to now is 259.7 secs Computing kpt #: 128 total cpu time spent up to now is 261.7 secs Computing kpt #: 129 total cpu time spent up to now is 263.4 secs Computing kpt #: 130 total cpu time spent up to now is 265.2 secs Computing kpt #: 131 total cpu time spent up to now is 266.9 secs Computing kpt #: 132 total cpu time spent up to now is 268.6 secs Computing kpt #: 133 total cpu time spent up to now is 270.3 secs Computing kpt #: 134 total cpu time spent up to now is 272.0 secs Computing kpt #: 135 total cpu time spent up to now is 273.8 secs Computing kpt #: 136 total cpu time spent up to now is 275.6 secs Computing kpt #: 137 total cpu time spent up to now is 277.4 secs Computing kpt #: 138 total cpu time spent up to now is 279.2 secs Computing kpt #: 139 total cpu time spent up to now is 281.0 secs Computing kpt #: 140 total cpu time spent up to now is 282.8 secs Computing kpt #: 141 total cpu time spent up to now is 284.6 secs Computing kpt #: 142 total cpu time spent up to now is 286.7 secs Computing kpt #: 143 total cpu time spent up to now is 288.7 secs Computing kpt #: 144 total cpu time spent up to now is 290.8 secs Computing kpt #: 145 total cpu time spent up to now is 293.1 secs Computing kpt #: 146 total cpu time spent up to now is 295.1 secs Computing kpt #: 147 total cpu time spent up to now is 297.1 secs Computing kpt #: 148 total cpu time spent up to now is 299.1 secs Computing kpt #: 149 total cpu time spent up to now is 301.3 secs Computing kpt #: 150 total cpu time spent up to now is 303.6 secs Computing kpt #: 151 total cpu time spent up to now is 305.8 secs Computing kpt #: 152 total cpu time spent up to now is 307.9 secs Computing kpt #: 153 total cpu time spent up to now is 310.0 secs Computing kpt #: 154 total cpu time spent up to now is 312.1 secs Computing kpt #: 155 total cpu time spent up to now is 314.1 secs Computing kpt #: 156 total cpu time spent up to now is 316.2 secs Computing kpt #: 157 total cpu time spent up to now is 318.3 secs Computing kpt #: 158 total cpu time spent up to now is 320.4 secs Computing kpt #: 159 total cpu time spent up to now is 322.7 secs Computing kpt #: 160 total cpu time spent up to now is 324.8 secs Computing kpt #: 161 total cpu time spent up to now is 327.0 secs Computing kpt #: 162 total cpu time spent up to now is 329.1 secs Computing kpt #: 163 total cpu time spent up to now is 331.1 secs Computing kpt #: 164 total cpu time spent up to now is 333.3 secs Computing kpt #: 165 total cpu time spent up to now is 335.4 secs Computing kpt #: 166 total cpu time spent up to now is 337.4 secs Computing kpt #: 167 total cpu time spent up to now is 339.4 secs Computing kpt #: 168 total cpu time spent up to now is 341.4 secs Computing kpt #: 169 total cpu time spent up to now is 343.5 secs Computing kpt #: 170 total cpu time spent up to now is 345.5 secs Computing kpt #: 171 total cpu time spent up to now is 347.5 secs Computing kpt #: 172 total cpu time spent up to now is 349.5 secs Computing kpt #: 173 total cpu time spent up to now is 351.5 secs Computing kpt #: 174 total cpu time spent up to now is 353.5 secs Computing kpt #: 175 total cpu time spent up to now is 355.5 secs Computing kpt #: 176 total cpu time spent up to now is 357.5 secs Computing kpt #: 177 total cpu time spent up to now is 359.6 secs Computing kpt #: 178 total cpu time spent up to now is 361.7 secs Computing kpt #: 179 total cpu time spent up to now is 363.8 secs Computing kpt #: 180 total cpu time spent up to now is 365.8 secs Computing kpt #: 181 total cpu time spent up to now is 367.9 secs Computing kpt #: 182 total cpu time spent up to now is 370.0 secs Computing kpt #: 183 total cpu time spent up to now is 372.0 secs Computing kpt #: 184 total cpu time spent up to now is 374.1 secs Computing kpt #: 185 total cpu time spent up to now is 376.2 secs Computing kpt #: 186 total cpu time spent up to now is 378.6 secs Computing kpt #: 187 total cpu time spent up to now is 380.6 secs Computing kpt #: 188 total cpu time spent up to now is 382.7 secs Computing kpt #: 189 total cpu time spent up to now is 384.7 secs Computing kpt #: 190 total cpu time spent up to now is 386.8 secs Computing kpt #: 191 total cpu time spent up to now is 389.7 secs Computing kpt #: 192 total cpu time spent up to now is 391.7 secs Computing kpt #: 193 total cpu time spent up to now is 393.8 secs Computing kpt #: 194 total cpu time spent up to now is 395.7 secs Computing kpt #: 195 total cpu time spent up to now is 397.7 secs Computing kpt #: 196 total cpu time spent up to now is 399.7 secs Computing kpt #: 197 total cpu time spent up to now is 401.7 secs Computing kpt #: 198 total cpu time spent up to now is 403.5 secs Computing kpt #: 199 total cpu time spent up to now is 405.3 secs Computing kpt #: 200 total cpu time spent up to now is 407.1 secs Computing kpt #: 201 total cpu time spent up to now is 409.6 secs Computing kpt #: 202 total cpu time spent up to now is 411.4 secs Computing kpt #: 203 total cpu time spent up to now is 413.1 secs Computing kpt #: 204 total cpu time spent up to now is 414.9 secs Computing kpt #: 205 total cpu time spent up to now is 417.1 secs Computing kpt #: 206 total cpu time spent up to now is 419.0 secs Computing kpt #: 207 total cpu time spent up to now is 420.7 secs Computing kpt #: 208 total cpu time spent up to now is 422.4 secs Computing kpt #: 209 total cpu time spent up to now is 424.2 secs Computing kpt #: 210 total cpu time spent up to now is 426.0 secs Computing kpt #: 211 total cpu time spent up to now is 427.8 secs Computing kpt #: 212 total cpu time spent up to now is 429.6 secs ethr = 1.39E-08, avg # of iterations = 23.1 total cpu time spent up to now is 429.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9991 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0612 -9.0612 -9.0066 -9.0066 -8.6322 -8.6322 -7.4477 -7.4477 -7.1818 -7.1818 -7.1394 -7.1394 -7.0221 -7.0221 -6.9866 -6.9866 -6.7867 -6.7867 -6.7195 -6.7195 -6.2723 -6.2723 -6.2676 -6.2676 -6.1205 -6.1205 -6.0795 -6.0795 -5.8229 -5.8229 1.7637 1.7637 1.9970 1.9970 2.2090 2.2090 2.4793 2.4793 2.6200 2.6200 2.9549 2.9549 3.1335 3.1335 3.2103 3.2103 3.2921 3.2921 3.3682 3.3682 3.4656 3.4656 3.6102 3.6102 3.7381 3.7381 3.8800 3.8800 3.8857 3.8857 3.9482 3.9482 4.8398 4.8398 4.8711 4.8711 7.5101 7.5101 8.2549 8.2549 8.3123 8.3123 8.5130 8.5130 8.8947 8.8947 8.9388 8.9388 9.0392 9.0392 k = 0.0250 0.0144-0.0000 ( 10003 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0612 -9.0612 -9.0067 -9.0067 -8.6323 -8.6323 -7.4475 -7.4475 -7.1854 -7.1853 -7.1361 -7.1359 -7.0238 -7.0238 -6.9864 -6.9863 -6.7842 -6.7840 -6.7189 -6.7189 -6.2727 -6.2726 -6.2679 -6.2678 -6.1229 -6.1227 -6.0780 -6.0777 -5.8234 -5.8234 1.7642 1.7642 1.9980 1.9980 2.2092 2.2093 2.4787 2.4787 2.6191 2.6191 2.9545 2.9545 3.1275 3.1275 3.2166 3.2168 3.2920 3.2922 3.3685 3.3685 3.4648 3.4648 3.6085 3.6086 3.7352 3.7354 3.8729 3.8737 3.8936 3.8941 3.9543 3.9544 4.8371 4.8371 4.8694 4.8694 7.5128 7.5129 8.2565 8.2565 8.3139 8.3140 8.5178 8.5178 8.8941 8.8941 8.9382 8.9382 9.0387 9.0389 k = 0.0500 0.0289-0.0000 ( 9993 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0610 -9.0610 -9.0070 -9.0070 -8.6325 -8.6325 -7.4469 -7.4469 -7.1939 -7.1936 -7.1287 -7.1276 -7.0288 -7.0284 -6.9860 -6.9850 -6.7774 -6.7763 -6.7173 -6.7167 -6.2739 -6.2735 -6.2690 -6.2685 -6.1295 -6.1283 -6.0744 -6.0731 -5.8249 -5.8247 1.7658 1.7658 2.0011 2.0013 2.2098 2.2099 2.4770 2.4771 2.6165 2.6165 2.9531 2.9532 3.1134 3.1138 3.2310 3.2325 3.2920 3.2930 3.3683 3.3689 3.4636 3.4637 3.6036 3.6037 3.7264 3.7283 3.8618 3.8651 3.9091 3.9108 3.9697 3.9700 4.8285 4.8286 4.8648 4.8648 7.5211 7.5212 8.2606 8.2610 8.3194 8.3199 8.5320 8.5320 8.8921 8.8921 8.9366 8.9366 9.0368 9.0383 k = 0.0750 0.0433-0.0000 ( 9995 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0607 -9.0607 -9.0074 -9.0074 -8.6328 -8.6328 -7.4459 -7.4458 -7.2046 -7.2038 -7.1209 -7.1174 -7.0366 -7.0347 -6.9850 -6.9825 -6.7683 -6.7644 -6.7142 -6.7121 -6.2761 -6.2750 -6.2709 -6.2696 -6.1388 -6.1356 -6.0705 -6.0668 -5.8275 -5.8269 1.7682 1.7686 2.0061 2.0067 2.2105 2.2110 2.4743 2.4745 2.6123 2.6124 2.9507 2.9510 3.0964 3.0973 3.2470 3.2519 3.2926 3.2955 3.3648 3.3676 3.4650 3.4653 3.5955 3.5959 3.7123 3.7181 3.8497 3.8569 3.9315 3.9344 3.9902 3.9906 4.8134 4.8134 4.8584 4.8586 7.5348 7.5350 8.2656 8.2666 8.3302 8.3316 8.5551 8.5551 8.8882 8.8885 8.9343 8.9344 9.0336 9.0382 k = 0.1000 0.0577-0.0000 ( 10007 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0603 -9.0602 -9.0080 -9.0079 -8.6333 -8.6333 -7.4444 -7.4444 -7.2159 -7.2146 -7.1151 -7.1068 -7.0464 -7.0403 -6.9831 -6.9787 -6.7590 -6.7506 -6.7088 -6.7038 -6.2793 -6.2768 -6.2738 -6.2709 -6.1499 -6.1437 -6.0671 -6.0599 -5.8313 -5.8298 1.7716 1.7723 2.0129 2.0142 2.2113 2.2123 2.4708 2.4713 2.6068 2.6071 2.9473 2.9479 3.0790 3.0802 3.2600 3.2710 3.2959 3.3007 3.3561 3.3650 3.4715 3.4719 3.5845 3.5859 3.6943 3.7064 3.8378 3.8496 3.9598 3.9636 4.0133 4.0137 4.7914 4.7914 4.8510 4.8512 7.5536 7.5540 8.2698 8.2718 8.3478 8.3506 8.5860 8.5861 8.8819 8.8826 8.9322 8.9325 9.0294 9.0390 k = 0.1250 0.0722-0.0000 ( 10011 PWs) bands (ev): -22.3851 -22.3851 -22.3823 -22.3823 -21.9379 -21.9379 -9.0597 -9.0596 -9.0087 -9.0086 -8.6338 -8.6338 -7.4426 -7.4425 -7.2274 -7.2257 -7.1137 -7.0976 -7.0561 -7.0428 -6.9804 -6.9736 -6.7515 -6.7379 -6.6988 -6.6910 -6.2834 -6.2791 -6.2778 -6.2725 -6.1619 -6.1521 -6.0646 -6.0529 -5.8361 -5.8333 1.7759 1.7772 2.0210 2.0236 2.2119 2.2138 2.4670 2.4674 2.6003 2.6011 2.9429 2.9438 3.0621 3.0635 3.2673 3.2832 3.3070 3.3075 3.3427 3.3645 3.4822 3.4838 3.5717 3.5741 3.6736 3.6943 3.8261 3.8431 3.9922 3.9970 4.0379 4.0380 4.7633 4.7634 4.8425 4.8429 7.5773 7.5780 8.2728 8.2758 8.3728 8.3772 8.6235 8.6236 8.8728 8.8739 8.9309 8.9315 9.0246 9.0398 k = 0.1500 0.0866-0.0000 ( 10015 PWs) bands (ev): -22.3851 -22.3851 -22.3823 -22.3823 -21.9379 -21.9379 -9.0590 -9.0589 -9.0096 -9.0095 -8.6344 -8.6344 -7.4404 -7.4402 -7.2387 -7.2367 -7.1175 -7.0937 -7.0615 -7.0409 -6.9767 -6.9673 -6.7461 -6.7289 -6.6826 -6.6738 -6.2885 -6.2829 -6.2815 -6.2745 -6.1744 -6.1606 -6.0633 -6.0461 -5.8419 -5.8373 1.7809 1.7831 2.0302 2.0347 2.2120 2.2150 2.4633 2.4635 2.5929 2.5952 2.9376 2.9386 3.0462 3.0474 3.2683 3.2881 3.3113 3.3245 3.3298 3.3708 3.4929 3.4994 3.5596 3.5614 3.6517 3.6828 3.8150 3.8368 4.0274 4.0333 4.0627 4.0633 4.7300 4.7302 4.8328 4.8333 7.6054 7.6066 8.2750 8.2786 8.4047 8.4106 8.6653 8.6655 8.8606 8.8622 8.9309 8.9321 9.0200 9.0381 k = 0.1750 0.1010-0.0000 ( 10027 PWs) bands (ev): -22.3850 -22.3850 -22.3824 -22.3824 -21.9379 -21.9379 -9.0583 -9.0581 -9.0106 -9.0104 -8.6352 -8.6351 -7.4378 -7.4376 -7.2499 -7.2475 -7.1254 -7.0994 -7.0580 -7.0356 -6.9720 -6.9597 -6.7423 -6.7231 -6.6615 -6.6534 -6.2945 -6.2890 -6.2844 -6.2768 -6.1871 -6.1689 -6.0632 -6.0398 -5.8488 -5.8417 1.7866 1.7899 2.0402 2.0471 2.2113 2.2155 2.4592 2.4612 2.5851 2.5899 2.9317 2.9321 3.0314 3.0319 3.2631 3.2905 3.3108 3.3152 3.3500 3.3827 3.4949 3.5148 3.5507 3.5550 3.6301 3.6731 3.8047 3.8308 4.0641 4.0714 4.0873 4.0893 4.6924 4.6928 4.8219 4.8225 7.6378 7.6396 8.2767 8.2806 8.4426 8.4500 8.7083 8.7091 8.8457 8.8475 8.9326 8.9344 9.0173 9.0338 k = 0.2000 0.1155-0.0000 ( 10019 PWs) bands (ev): -22.3850 -22.3850 -22.3824 -22.3824 -21.9379 -21.9379 -9.0574 -9.0572 -9.0118 -9.0115 -8.6359 -8.6359 -7.4349 -7.4346 -7.2607 -7.2581 -7.1354 -7.1104 -7.0494 -7.0285 -6.9665 -6.9510 -6.7394 -6.7188 -6.6376 -6.6310 -6.3015 -6.2963 -6.2874 -6.2795 -6.1995 -6.1768 -6.0643 -6.0340 -5.8564 -5.8463 1.7931 1.7977 2.0506 2.0605 2.2095 2.2149 2.4552 2.4610 2.5770 2.5861 2.9244 2.9254 3.0166 3.0178 3.2540 3.2866 3.3022 3.3208 3.3721 3.3952 3.4827 3.5169 3.5540 3.5611 3.6108 3.6665 3.7957 3.8251 4.1000 4.1103 4.1115 4.1167 4.6515 4.6521 4.8096 4.8104 7.6739 7.6765 8.2781 8.2820 8.4856 8.4944 8.7480 8.7504 8.8285 8.8304 8.9360 8.9384 9.0188 9.0316 k = 0.2250 0.1299-0.0000 ( 10015 PWs) bands (ev): -22.3849 -22.3849 -22.3825 -22.3825 -21.9379 -21.9379 -9.0564 -9.0562 -9.0130 -9.0127 -8.6368 -8.6367 -7.4317 -7.4313 -7.2711 -7.2684 -7.1462 -7.1230 -7.0396 -7.0211 -6.9600 -6.9414 -6.7368 -6.7152 -6.6123 -6.6073 -6.3095 -6.3047 -6.2906 -6.2824 -6.2113 -6.1842 -6.0666 -6.0291 -5.8646 -5.8512 1.8002 1.8062 2.0610 2.0745 2.2062 2.2125 2.4517 2.4640 2.5687 2.5845 2.9155 2.9193 3.0013 3.0055 3.2436 3.2745 3.3030 3.3279 3.3936 3.4042 3.4621 3.5052 3.5683 3.5694 3.5985 3.6653 3.7890 3.8202 4.1306 4.1346 4.1491 4.1499 4.6082 4.6090 4.7960 4.7970 7.7134 7.7169 8.2794 8.2828 8.5330 8.5428 8.7794 8.7841 8.8097 8.8113 8.9415 8.9444 9.0278 9.0367 k = 0.2500 0.1443-0.0000 ( 10027 PWs) bands (ev): -22.3848 -22.3848 -22.3826 -22.3826 -21.9379 -21.9379 -9.0554 -9.0550 -9.0144 -9.0140 -8.6376 -8.6376 -7.4281 -7.4277 -7.2811 -7.2783 -7.1570 -7.1356 -7.0298 -7.0138 -6.9528 -6.9310 -6.7344 -6.7119 -6.5864 -6.5831 -6.3185 -6.3141 -6.2938 -6.2857 -6.2220 -6.1911 -6.0700 -6.0254 -5.8732 -5.8561 1.8079 1.8154 2.0711 2.0886 2.2013 2.2080 2.4488 2.4708 2.5606 2.5859 2.9053 2.9136 2.9860 2.9946 3.2340 3.2622 3.3048 3.3346 3.4065 3.4141 3.4388 3.4925 3.5703 3.5726 3.6062 3.6701 3.7862 3.8173 4.1555 4.1566 4.1860 4.1890 4.5632 4.5642 4.7812 4.7823 7.7559 7.7605 8.2803 8.2830 8.5836 8.5942 8.7896 8.7910 8.7985 8.8057 8.9492 8.9522 9.0458 9.0530 k = 0.2750 0.1588-0.0000 ( 10009 PWs) bands (ev): -22.3848 -22.3848 -22.3826 -22.3826 -21.9379 -21.9379 -9.0542 -9.0538 -9.0159 -9.0154 -8.6384 -8.6384 -7.4243 -7.4237 -7.2906 -7.2879 -7.1673 -7.1478 -7.0206 -7.0071 -6.9448 -6.9203 -6.7318 -6.7089 -6.5604 -6.5587 -6.3282 -6.3244 -6.2971 -6.2892 -6.2316 -6.1974 -6.0744 -6.0231 -5.8815 -5.8611 1.8161 1.8251 2.0804 2.1022 2.1946 2.2015 2.4467 2.4817 2.5527 2.5907 2.8938 2.9087 2.9706 2.9854 3.2260 3.2518 3.3038 3.3377 3.4024 3.4153 3.4341 3.4821 3.5665 3.5701 3.6245 3.6775 3.7902 3.8179 4.1772 4.1774 4.2239 4.2274 4.5173 4.5186 4.7652 4.7664 7.8007 7.8067 8.2809 8.2825 8.6364 8.6471 8.7693 8.7702 8.8053 8.8146 8.9591 8.9615 9.0681 9.0798 k = 0.3000 0.1732-0.0000 ( 10009 PWs) bands (ev): -22.3847 -22.3847 -22.3827 -22.3827 -21.9379 -21.9379 -9.0530 -9.0525 -9.0174 -9.0168 -8.6393 -8.6392 -7.4203 -7.4196 -7.2997 -7.2971 -7.1768 -7.1592 -7.0121 -7.0010 -6.9362 -6.9097 -6.7289 -6.7059 -6.5348 -6.5347 -6.3384 -6.3352 -6.3003 -6.2930 -6.2398 -6.2032 -6.0794 -6.0226 -5.8893 -5.8660 1.8248 1.8351 2.0888 2.1149 2.1860 2.1932 2.4456 2.4961 2.5459 2.5992 2.8810 2.9046 2.9554 2.9782 3.2199 3.2433 3.2966 3.3308 3.3973 3.3994 3.4518 3.4730 3.5641 3.5666 3.6408 3.6824 3.8034 3.8241 4.1959 4.1968 4.2613 4.2645 4.4713 4.4731 4.7481 4.7494 7.8474 7.8548 8.2812 8.2812 8.6892 8.6993 8.7502 8.7503 8.8033 8.8149 8.9711 8.9723 9.0776 9.1050 k = 0.3250 0.1876-0.0000 ( 10010 PWs) bands (ev): -22.3846 -22.3846 -22.3828 -22.3828 -21.9379 -21.9379 -9.0518 -9.0512 -9.0189 -9.0183 -8.6400 -8.6400 -7.4160 -7.4153 -7.3083 -7.3059 -7.1853 -7.1697 -7.0046 -6.9956 -6.9272 -6.8997 -6.7258 -6.7033 -6.5113 -6.5101 -6.3487 -6.3462 -6.3035 -6.2970 -6.2466 -6.2086 -6.0846 -6.0244 -5.8960 -5.8708 1.8338 1.8453 2.0957 2.1262 2.1760 2.1841 2.4456 2.5106 2.5429 2.6114 2.8671 2.9007 2.9416 2.9732 3.2157 3.2366 3.2804 3.3111 3.3870 3.4035 3.4637 3.4680 3.5566 3.5705 3.6517 3.6830 3.8255 3.8377 4.2121 4.2133 4.2976 4.2994 4.4262 4.4291 4.7301 4.7313 7.8952 7.9043 8.2794 8.2813 8.7202 8.7242 8.7538 8.7543 8.7961 8.8133 8.9832 8.9853 9.0571 9.0881 k = 0.3500 0.2021-0.0000 ( 10012 PWs) bands (ev): -22.3845 -22.3845 -22.3829 -22.3829 -21.9379 -21.9379 -9.0505 -9.0499 -9.0205 -9.0198 -8.6408 -8.6407 -7.4116 -7.4108 -7.3164 -7.3142 -7.1927 -7.1792 -6.9979 -6.9909 -6.9180 -6.8908 -6.7223 -6.7008 -6.4893 -6.4869 -6.3583 -6.3569 -6.3066 -6.3012 -6.2519 -6.2138 -6.0897 -6.0286 -5.9010 -5.8755 1.8431 1.8552 2.1009 2.1359 2.1649 2.1751 2.4468 2.5156 2.5527 2.6269 2.8523 2.8950 2.9315 2.9705 3.2131 3.2309 3.2564 3.2834 3.3839 3.4127 3.4541 3.4826 3.5490 3.5761 3.6565 3.6803 3.8542 3.8591 4.2244 4.2258 4.3288 4.3320 4.3839 4.3910 4.7113 4.7125 7.9431 7.9539 8.2774 8.2813 8.7061 8.7073 8.7798 8.7850 8.8035 8.8286 8.9850 9.0017 9.0299 9.0397 k = 0.3750 0.2165-0.0000 ( 10012 PWs) bands (ev): -22.3844 -22.3844 -22.3829 -22.3829 -21.9379 -21.9379 -9.0492 -9.0486 -9.0219 -9.0212 -8.6414 -8.6414 -7.4071 -7.4063 -7.3239 -7.3219 -7.1989 -7.1876 -6.9923 -6.9869 -6.9089 -6.8833 -6.7184 -6.6988 -6.4693 -6.4657 -6.3669 -6.3667 -6.3097 -6.3056 -6.2557 -6.2191 -6.0939 -6.0352 -5.9043 -5.8800 1.8523 1.8646 2.1040 2.1434 2.1534 2.1675 2.4491 2.5113 2.5743 2.6449 2.8370 2.8847 2.9282 2.9703 3.2114 3.2204 3.2340 3.2527 3.3850 3.4239 3.4449 3.4951 3.5421 3.5813 3.6568 3.6761 3.8872 3.8873 4.2301 4.2313 4.3311 4.3422 4.3692 4.3831 4.6921 4.6931 7.9899 8.0022 8.2757 8.2818 8.6898 8.6901 8.7734 8.7780 8.8502 8.8647 8.9593 8.9926 9.0210 9.0328 k = 0.4000 0.2309-0.0000 ( 10008 PWs) bands (ev): -22.3844 -22.3844 -22.3830 -22.3830 -21.9379 -21.9379 -9.0480 -9.0473 -9.0233 -9.0226 -8.6420 -8.6419 -7.4027 -7.4019 -7.3308 -7.3290 -7.2038 -7.1947 -6.9877 -6.9836 -6.9002 -6.8776 -6.7142 -6.6973 -6.4523 -6.4476 -6.3751 -6.3728 -6.3127 -6.3101 -6.2580 -6.2247 -6.0966 -6.0437 -5.9057 -5.8844 1.8613 1.8730 2.1048 2.1402 2.1508 2.1623 2.4525 2.5044 2.5997 2.6642 2.8217 2.8704 2.9316 2.9721 3.1936 3.2073 3.2247 3.2277 3.3880 3.4319 3.4402 3.5045 3.5375 3.5845 3.6550 3.6714 3.9202 3.9232 4.2224 4.2238 4.3115 4.3174 4.3985 4.4065 4.6727 4.6735 8.0336 8.0471 8.2753 8.2832 8.6751 8.6753 8.7599 8.7690 8.8719 8.8783 8.9483 8.9760 9.0425 9.0504 k = 0.4250 0.2454-0.0000 ( 10008 PWs) bands (ev): -22.3843 -22.3843 -22.3831 -22.3831 -21.9379 -21.9379 -9.0469 -9.0463 -9.0245 -9.0239 -8.6424 -8.6424 -7.3985 -7.3977 -7.3367 -7.3353 -7.2074 -7.2006 -6.9840 -6.9811 -6.8921 -6.8738 -6.7100 -6.6965 -6.4395 -6.4337 -6.3804 -6.3758 -6.3156 -6.3145 -6.2586 -6.2308 -6.0971 -6.0537 -5.9057 -5.8885 1.8697 1.8797 2.1039 2.1292 2.1548 2.1597 2.4569 2.4969 2.6259 2.6825 2.8078 2.8540 2.9395 2.9752 3.1657 3.1855 3.2166 3.2251 3.3919 3.4257 3.4505 3.5075 3.5382 3.5844 3.6533 3.6670 3.9564 3.9609 4.1969 4.1991 4.3027 4.3065 4.4264 4.4319 4.6540 4.6545 8.0720 8.0854 8.2773 8.2860 8.6628 8.6635 8.7444 8.7566 8.8532 8.8546 8.9806 9.0028 9.0668 9.0722 k = 0.4500 0.2598-0.0000 ( 10020 PWs) bands (ev): -22.3843 -22.3843 -22.3831 -22.3831 -21.9379 -21.9379 -9.0459 -9.0455 -9.0254 -9.0249 -8.6427 -8.6427 -7.3948 -7.3942 -7.3415 -7.3404 -7.2097 -7.2051 -6.9813 -6.9794 -6.8851 -6.8722 -6.7059 -6.6965 -6.4312 -6.4258 -6.3814 -6.3759 -6.3184 -6.3183 -6.2574 -6.2373 -6.0951 -6.0641 -5.9044 -5.8925 1.8769 1.8844 2.1029 2.1193 2.1575 2.1590 2.4622 2.4894 2.6511 2.6962 2.7980 2.8367 2.9503 2.9779 3.1427 3.1596 3.2169 3.2231 3.3961 3.4184 3.4627 3.5033 3.5450 3.5806 3.6529 3.6630 3.9948 3.9997 4.1609 4.1639 4.3021 4.3045 4.4501 4.4538 4.6373 4.6374 8.1025 8.1138 8.2822 8.2899 8.6537 8.6546 8.7284 8.7404 8.8293 8.8312 9.0216 9.0385 9.0930 9.0956 k = 0.4750 0.2742-0.0000 ( 10030 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0452 -9.0450 -9.0259 -9.0256 -8.6429 -8.6429 -7.3922 -7.3919 -7.3446 -7.3440 -7.2106 -7.2083 -6.9795 -6.9786 -6.8793 -6.8727 -6.7023 -6.6975 -6.4267 -6.4235 -6.3787 -6.3751 -6.3210 -6.3206 -6.2544 -6.2439 -6.0904 -6.0743 -5.9022 -5.8961 1.8825 1.8865 2.1032 2.1114 2.1588 2.1591 2.4683 2.4820 2.6738 2.7000 2.7965 2.8197 2.9622 2.9778 3.1290 3.1390 3.2181 3.2214 3.4007 3.4117 3.4745 3.4954 3.5546 3.5735 3.6541 3.6594 4.0339 4.0386 4.1218 4.1254 4.3036 4.3047 4.4671 4.4691 4.6248 4.6248 8.1231 8.1295 8.2887 8.2932 8.6483 8.6489 8.7164 8.7238 8.8155 8.8174 9.0561 9.0659 9.1167 9.1171 k = 0.5000 0.2887-0.0000 ( 10018 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0449 -9.0449 -9.0260 -9.0260 -8.6430 -8.6430 -7.3911 -7.3911 -7.3455 -7.3455 -7.2102 -7.2102 -6.9786 -6.9786 -6.8751 -6.8751 -6.6995 -6.6995 -6.4243 -6.4243 -6.3759 -6.3759 -6.3217 -6.3217 -6.2498 -6.2498 -6.0833 -6.0833 -5.8994 -5.8994 1.8858 1.8858 2.1059 2.1059 2.1593 2.1593 2.4749 2.4749 2.6914 2.6914 2.8050 2.8050 2.9723 2.9723 3.1278 3.1278 3.2197 3.2197 3.4059 3.4059 3.4856 3.4856 3.5645 3.5645 3.6564 3.6564 4.0649 4.0649 4.0950 4.0950 4.3046 4.3046 4.4741 4.4741 4.6200 4.6200 8.1323 8.1323 8.2931 8.2931 8.6466 8.6466 8.7143 8.7143 8.8122 8.8122 9.0737 9.0737 9.1272 9.1272 k = 0.5000 0.2887-0.0000 ( 10018 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0449 -9.0449 -9.0260 -9.0260 -8.6430 -8.6430 -7.3911 -7.3911 -7.3455 -7.3455 -7.2102 -7.2102 -6.9786 -6.9786 -6.8751 -6.8751 -6.6995 -6.6995 -6.4243 -6.4243 -6.3759 -6.3759 -6.3217 -6.3217 -6.2498 -6.2498 -6.0833 -6.0833 -5.8994 -5.8994 1.8858 1.8858 2.1059 2.1059 2.1593 2.1593 2.4749 2.4749 2.6914 2.6914 2.8050 2.8050 2.9723 2.9723 3.1278 3.1278 3.2197 3.2197 3.4059 3.4059 3.4856 3.4856 3.5645 3.5645 3.6564 3.6564 4.0649 4.0649 4.0950 4.0950 4.3046 4.3046 4.4741 4.4741 4.6200 4.6200 8.1323 8.1323 8.2931 8.2931 8.6466 8.6466 8.7143 8.7143 8.8122 8.8122 9.0737 9.0737 9.1272 9.1272 k = 0.4861 0.3127-0.0000 ( 10014 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0448 -9.0448 -9.0261 -9.0261 -8.6430 -8.6430 -7.3913 -7.3913 -7.3451 -7.3451 -7.2108 -7.2108 -6.9781 -6.9781 -6.8749 -6.8749 -6.6992 -6.6992 -6.4246 -6.4246 -6.3763 -6.3763 -6.3223 -6.3223 -6.2490 -6.2490 -6.0827 -6.0827 -5.9001 -5.9001 1.8863 1.8863 2.1053 2.1053 2.1591 2.1591 2.4761 2.4761 2.6912 2.6912 2.8046 2.8046 2.9735 2.9735 3.1266 3.1266 3.2190 3.2190 3.4052 3.4052 3.4854 3.4854 3.5648 3.5648 3.6584 3.6584 4.0635 4.0635 4.0938 4.0938 4.3052 4.3052 4.4750 4.4750 4.6200 4.6200 8.1334 8.1334 8.2944 8.2944 8.6481 8.6481 8.7156 8.7156 8.8091 8.8091 9.0741 9.0741 9.1249 9.1249 k = 0.4722 0.3368-0.0000 ( 10007 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0446 -9.0446 -9.0263 -9.0263 -8.6431 -8.6431 -7.3917 -7.3917 -7.3442 -7.3442 -7.2128 -7.2128 -6.9766 -6.9766 -6.8742 -6.8742 -6.6983 -6.6983 -6.4254 -6.4254 -6.3774 -6.3774 -6.3241 -6.3241 -6.2467 -6.2467 -6.0809 -6.0809 -5.9022 -5.9022 1.8877 1.8877 2.1033 2.1033 2.1587 2.1587 2.4796 2.4796 2.6907 2.6907 2.8034 2.8034 2.9768 2.9768 3.1233 3.1233 3.2171 3.2171 3.4029 3.4029 3.4849 3.4849 3.5657 3.5657 3.6645 3.6645 4.0595 4.0595 4.0902 4.0902 4.3070 4.3070 4.4777 4.4777 4.6199 4.6199 8.1367 8.1367 8.2983 8.2983 8.6524 8.6524 8.7191 8.7191 8.8004 8.8004 9.0740 9.0740 9.1192 9.1192 k = 0.4583 0.3608-0.0000 ( 9995 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0443 -9.0443 -9.0267 -9.0267 -8.6432 -8.6432 -7.3923 -7.3923 -7.3426 -7.3426 -7.2159 -7.2159 -6.9743 -6.9743 -6.8730 -6.8730 -6.6969 -6.6969 -6.4268 -6.4268 -6.3788 -6.3788 -6.3270 -6.3270 -6.2430 -6.2430 -6.0781 -6.0781 -5.9056 -5.9056 1.8901 1.8901 2.1002 2.1002 2.1579 2.1579 2.4856 2.4856 2.6898 2.6898 2.8013 2.8013 2.9822 2.9822 3.1180 3.1180 3.2142 3.2142 3.3993 3.3993 3.4837 3.4837 3.5670 3.5670 3.6750 3.6750 4.0532 4.0532 4.0842 4.0842 4.3100 4.3100 4.4820 4.4820 4.6197 4.6197 8.1420 8.1420 8.3048 8.3048 8.6595 8.6595 8.7236 8.7236 8.7876 8.7876 9.0691 9.0691 9.1152 9.1152 k = 0.4444 0.3849-0.0000 ( 9993 PWs) bands (ev): -22.3841 -22.3841 -22.3832 -22.3832 -21.9379 -21.9379 -9.0438 -9.0438 -9.0272 -9.0272 -8.6433 -8.6433 -7.3931 -7.3931 -7.3407 -7.3407 -7.2199 -7.2199 -6.9714 -6.9714 -6.8714 -6.8714 -6.6951 -6.6951 -6.4288 -6.4288 -6.3801 -6.3801 -6.3309 -6.3309 -6.2383 -6.2383 -6.0745 -6.0745 -5.9102 -5.9102 1.8934 1.8934 2.0960 2.0960 2.1568 2.1568 2.4939 2.4939 2.6886 2.6886 2.7985 2.7985 2.9894 2.9894 3.1111 3.1111 3.2102 3.2102 3.3948 3.3948 3.4815 3.4815 3.5684 3.5684 3.6899 3.6899 4.0446 4.0446 4.0758 4.0758 4.3138 4.3138 4.4878 4.4878 4.6191 4.6191 8.1493 8.1493 8.3140 8.3140 8.6691 8.6691 8.7251 8.7251 8.7751 8.7751 9.0553 9.0553 9.1148 9.1148 k = 0.4306 0.4090-0.0000 ( 9987 PWs) bands (ev): -22.3841 -22.3841 -22.3833 -22.3833 -21.9379 -21.9379 -9.0432 -9.0432 -9.0278 -9.0278 -8.6435 -8.6435 -7.3939 -7.3939 -7.3384 -7.3384 -7.2247 -7.2247 -6.9681 -6.9681 -6.8694 -6.8694 -6.6929 -6.6929 -6.4315 -6.4315 -6.3810 -6.3810 -6.3358 -6.3358 -6.2328 -6.2328 -6.0703 -6.0703 -5.9158 -5.9158 1.8975 1.8975 2.0909 2.0909 2.1552 2.1552 2.5045 2.5045 2.6869 2.6869 2.7949 2.7949 2.9978 2.9978 3.1032 3.1032 3.2051 3.2051 3.3898 3.3898 3.4783 3.4783 3.5695 3.5695 3.7094 3.7094 4.0343 4.0343 4.0651 4.0651 4.3185 4.3185 4.4949 4.4949 4.6178 4.6178 8.1583 8.1583 8.3260 8.3260 8.6803 8.6803 8.7160 8.7160 8.7717 8.7717 9.0346 9.0346 9.0856 9.0856 k = 0.4167 0.4330-0.0000 ( 9983 PWs) bands (ev): -22.3841 -22.3841 -22.3833 -22.3833 -21.9379 -21.9379 -9.0424 -9.0424 -9.0286 -9.0286 -8.6437 -8.6437 -7.3946 -7.3946 -7.3360 -7.3360 -7.2298 -7.2298 -6.9647 -6.9647 -6.8671 -6.8671 -6.6905 -6.6905 -6.4345 -6.4345 -6.3812 -6.3812 -6.3413 -6.3413 -6.2270 -6.2270 -6.0657 -6.0657 -5.9221 -5.9221 1.9023 1.9023 2.0850 2.0850 2.1532 2.1532 2.5172 2.5172 2.6849 2.6849 2.7906 2.7906 3.0072 3.0072 3.0950 3.0950 3.1985 3.1985 3.3851 3.3851 3.4744 3.4744 3.5700 3.5700 3.7331 3.7331 4.0224 4.0224 4.0524 4.0524 4.3237 4.3237 4.5030 4.5030 4.6157 4.6157 8.1688 8.1688 8.3409 8.3409 8.6820 8.6820 8.7064 8.7064 8.7784 8.7784 9.0104 9.0104 9.0436 9.0436 k = 0.4028 0.4571-0.0000 ( 9985 PWs) bands (ev): -22.3840 -22.3840 -22.3834 -22.3834 -21.9379 -21.9379 -9.0416 -9.0416 -9.0295 -9.0295 -8.6439 -8.6439 -7.3953 -7.3953 -7.3335 -7.3335 -7.2350 -7.2350 -6.9616 -6.9616 -6.8646 -6.8646 -6.6881 -6.6881 -6.4378 -6.4378 -6.3808 -6.3808 -6.3471 -6.3471 -6.2211 -6.2211 -6.0612 -6.0612 -5.9289 -5.9289 1.9076 1.9076 2.0788 2.0788 2.1510 2.1510 2.5315 2.5315 2.6824 2.6824 2.7856 2.7856 3.0168 3.0168 3.0874 3.0874 3.1904 3.1904 3.3812 3.3812 3.4701 3.4701 3.5698 3.5698 3.7604 3.7604 4.0092 4.0092 4.0378 4.0378 4.3290 4.3290 4.5122 4.5122 4.6123 4.6123 8.1802 8.1802 8.3587 8.3587 8.6570 8.6570 8.7194 8.7194 8.7894 8.7894 8.9847 8.9847 9.0034 9.0034 k = 0.3889 0.4811-0.0000 ( 9991 PWs) bands (ev): -22.3840 -22.3840 -22.3834 -22.3834 -21.9379 -21.9379 -9.0406 -9.0406 -9.0305 -9.0305 -8.6440 -8.6440 -7.3957 -7.3957 -7.3312 -7.3312 -7.2399 -7.2399 -6.9587 -6.9587 -6.8620 -6.8620 -6.6857 -6.6857 -6.4408 -6.4408 -6.3797 -6.3797 -6.3530 -6.3530 -6.2156 -6.2156 -6.0570 -6.0570 -5.9355 -5.9355 1.9132 1.9132 2.0723 2.0723 2.1487 2.1487 2.5468 2.5468 2.6797 2.6797 2.7802 2.7802 3.0260 3.0260 3.0811 3.0811 3.1810 3.1810 3.3785 3.3785 3.4660 3.4660 3.5689 3.5689 3.7909 3.7909 3.9949 3.9949 4.0217 4.0217 4.3341 4.3341 4.5221 4.5221 4.6076 4.6076 8.1920 8.1920 8.3795 8.3795 8.6248 8.6248 8.7381 8.7381 8.8019 8.8019 8.9571 8.9571 8.9691 8.9691 k = 0.3750 0.5052-0.0000 ( 9987 PWs) bands (ev): -22.3839 -22.3839 -22.3835 -22.3835 -21.9379 -21.9379 -9.0395 -9.0395 -9.0316 -9.0316 -8.6442 -8.6442 -7.3961 -7.3961 -7.3292 -7.3292 -7.2443 -7.2443 -6.9564 -6.9564 -6.8597 -6.8597 -6.6837 -6.6837 -6.4434 -6.4434 -6.3780 -6.3780 -6.3586 -6.3586 -6.2107 -6.2107 -6.0534 -6.0534 -5.9415 -5.9415 1.9187 1.9187 2.0663 2.0663 2.1466 2.1466 2.5618 2.5618 2.6769 2.6769 2.7747 2.7747 3.0340 3.0340 3.0764 3.0764 3.1710 3.1710 3.3768 3.3768 3.4625 3.4625 3.5677 3.5677 3.8238 3.8238 3.9796 3.9796 4.0041 4.0041 4.3387 4.3387 4.5329 4.5329 4.6012 4.6012 8.2034 8.2034 8.4031 8.4031 8.5906 8.5906 8.7582 8.7582 8.8148 8.8148 8.9267 8.9267 8.9447 8.9447 k = 0.3611 0.5292-0.0000 ( 9991 PWs) bands (ev): -22.3838 -22.3838 -22.3835 -22.3835 -21.9379 -21.9379 -9.0384 -9.0384 -9.0328 -9.0328 -8.6443 -8.6443 -7.3963 -7.3963 -7.3276 -7.3276 -7.2478 -7.2478 -6.9547 -6.9547 -6.8577 -6.8577 -6.6821 -6.6821 -6.4452 -6.4452 -6.3760 -6.3760 -6.3637 -6.3637 -6.2069 -6.2069 -6.0508 -6.0508 -5.9463 -5.9463 1.9235 1.9235 2.0611 2.0611 2.1448 2.1448 2.5751 2.5751 2.6744 2.6744 2.7694 2.7694 3.0404 3.0404 3.0734 3.0734 3.1618 3.1618 3.3759 3.3759 3.4600 3.4600 3.5663 3.5663 3.8586 3.8586 3.9636 3.9636 3.9855 3.9855 4.3423 4.3423 4.5444 4.5444 4.5930 4.5930 8.2133 8.2133 8.4294 8.4294 8.5559 8.5559 8.7771 8.7771 8.8278 8.8278 8.8985 8.8985 8.9287 8.9287 k = 0.3472 0.5533-0.0000 ( 10025 PWs) bands (ev): -22.3838 -22.3838 -22.3836 -22.3836 -21.9379 -21.9379 -9.0372 -9.0372 -9.0340 -9.0340 -8.6444 -8.6444 -7.3963 -7.3963 -7.3267 -7.3267 -7.2500 -7.2500 -6.9536 -6.9536 -6.8563 -6.8563 -6.6810 -6.6810 -6.4463 -6.4463 -6.3737 -6.3737 -6.3679 -6.3679 -6.2044 -6.2044 -6.0493 -6.0493 -5.9494 -5.9494 1.9269 1.9269 2.0575 2.0575 2.1435 2.1435 2.5843 2.5843 2.6730 2.6730 2.7653 2.7653 3.0450 3.0450 3.0712 3.0712 3.1552 3.1552 3.3754 3.3754 3.4587 3.4587 3.5651 3.5651 3.8938 3.8938 3.9481 3.9481 3.9661 3.9661 4.3447 4.3447 4.5567 4.5567 4.5827 4.5827 8.2204 8.2204 8.4579 8.4579 8.5219 8.5219 8.7909 8.7909 8.8407 8.8407 8.8755 8.8755 8.9230 8.9230 k = 0.3333 0.5774-0.0000 ( 10029 PWs) bands (ev): -22.3837 -22.3837 -22.3837 -22.3837 -21.9379 -21.9379 -9.0364 -9.0364 -9.0348 -9.0348 -8.6444 -8.6444 -7.3963 -7.3963 -7.3264 -7.3264 -7.2508 -7.2508 -6.9533 -6.9533 -6.8558 -6.8558 -6.6807 -6.6807 -6.4467 -6.4467 -6.3717 -6.3717 -6.3706 -6.3706 -6.2035 -6.2035 -6.0489 -6.0489 -5.9505 -5.9505 1.9281 1.9281 2.0562 2.0562 2.1431 2.1431 2.5877 2.5877 2.6728 2.6728 2.7637 2.7637 3.0470 3.0470 3.0700 3.0700 3.1529 3.1529 3.3752 3.3752 3.4583 3.4583 3.5647 3.5647 3.9161 3.9161 3.9458 3.9458 3.9461 3.9461 4.3455 4.3455 4.5682 4.5682 4.5720 4.5720 8.2231 8.2231 8.4836 8.4836 8.4944 8.4944 8.7956 8.7956 8.8501 8.8501 8.8625 8.8625 8.9277 8.9277 k = 0.3333 0.5774-0.0000 ( 10029 PWs) bands (ev): -22.3837 -22.3837 -22.3837 -22.3837 -21.9379 -21.9379 -9.0364 -9.0364 -9.0348 -9.0348 -8.6444 -8.6444 -7.3963 -7.3963 -7.3264 -7.3264 -7.2508 -7.2508 -6.9533 -6.9533 -6.8558 -6.8558 -6.6807 -6.6807 -6.4467 -6.4467 -6.3717 -6.3717 -6.3706 -6.3706 -6.2035 -6.2035 -6.0489 -6.0489 -5.9505 -5.9505 1.9281 1.9281 2.0562 2.0562 2.1431 2.1431 2.5877 2.5877 2.6728 2.6728 2.7637 2.7637 3.0470 3.0470 3.0700 3.0700 3.1529 3.1529 3.3752 3.3752 3.4583 3.4583 3.5647 3.5647 3.9161 3.9161 3.9458 3.9458 3.9461 3.9461 4.3455 4.3455 4.5682 4.5682 4.5720 4.5720 8.2231 8.2231 8.4836 8.4836 8.4944 8.4944 8.7956 8.7956 8.8501 8.8501 8.8625 8.8625 8.9277 8.9277 k = 0.3188 0.5522-0.0000 ( 10015 PWs) bands (ev): -22.3838 -22.3838 -22.3836 -22.3836 -21.9379 -21.9379 -9.0373 -9.0373 -9.0339 -9.0339 -8.6444 -8.6444 -7.3964 -7.3964 -7.3266 -7.3266 -7.2499 -7.2499 -6.9537 -6.9537 -6.8564 -6.8564 -6.6811 -6.6811 -6.4464 -6.4464 -6.3732 -6.3732 -6.3683 -6.3683 -6.2045 -6.2045 -6.0492 -6.0492 -5.9494 -5.9494 1.9266 1.9266 2.0577 2.0577 2.1437 2.1437 2.5842 2.5842 2.6724 2.6724 2.7659 2.7659 3.0440 3.0440 3.0725 3.0725 3.1553 3.1553 3.3755 3.3755 3.4585 3.4585 3.5653 3.5653 3.9030 3.9030 3.9245 3.9245 3.9804 3.9804 4.3446 4.3446 4.5545 4.5545 4.5848 4.5848 8.2195 8.2195 8.4576 8.4576 8.5225 8.5225 8.7918 8.7918 8.8428 8.8428 8.8739 8.8739 8.9171 8.9171 k = 0.3043 0.5271-0.0000 ( 9997 PWs) bands (ev): -22.3839 -22.3839 -22.3835 -22.3835 -21.9379 -21.9379 -9.0388 -9.0388 -9.0324 -9.0324 -8.6443 -8.6443 -7.3966 -7.3966 -7.3271 -7.3271 -7.2474 -7.2474 -6.9548 -6.9548 -6.8583 -6.8583 -6.6823 -6.6823 -6.4460 -6.4460 -6.3736 -6.3736 -6.3654 -6.3654 -6.2074 -6.2074 -6.0497 -6.0497 -5.9463 -5.9463 1.9222 1.9222 2.0619 2.0619 2.1455 2.1455 2.5747 2.5747 2.6698 2.6698 2.7727 2.7727 3.0363 3.0363 3.0800 3.0800 3.1620 3.1620 3.3766 3.3766 3.4583 3.4583 3.5674 3.5674 3.8834 3.8834 3.9026 3.9026 4.0217 4.0217 4.3418 4.3418 4.5367 4.5367 4.6002 4.6002 8.2077 8.2077 8.4311 8.4311 8.5553 8.5553 8.7840 8.7840 8.8386 8.8386 8.8903 8.8903 8.9064 8.9064 k = 0.2899 0.5020-0.0000 ( 10009 PWs) bands (ev): -22.3840 -22.3840 -22.3834 -22.3834 -21.9379 -21.9379 -9.0403 -9.0403 -9.0308 -9.0308 -8.6441 -8.6441 -7.3972 -7.3972 -7.3275 -7.3275 -7.2435 -7.2435 -6.9567 -6.9567 -6.8616 -6.8616 -6.6842 -6.6842 -6.4460 -6.4460 -6.3725 -6.3725 -6.3623 -6.3623 -6.2118 -6.2118 -6.0499 -6.0499 -5.9417 -5.9417 1.9153 1.9153 2.0682 2.0682 2.1488 2.1488 2.5608 2.5608 2.6643 2.6643 2.7830 2.7830 3.0270 3.0270 3.0904 3.0904 3.1722 3.1722 3.3790 3.3790 3.4572 3.4572 3.5711 3.5711 3.8624 3.8624 3.8807 3.8807 4.0645 4.0645 4.3371 4.3371 4.5162 4.5162 4.6163 4.6163 8.1871 8.1871 8.4089 8.4089 8.5866 8.5866 8.7757 8.7757 8.8419 8.8419 8.8966 8.8966 8.9101 8.9101 k = 0.2754 0.4769-0.0000 ( 10007 PWs) bands (ev): -22.3840 -22.3840 -22.3833 -22.3833 -21.9379 -21.9379 -9.0419 -9.0419 -9.0291 -9.0291 -8.6438 -8.6438 -7.3983 -7.3983 -7.3273 -7.3273 -7.2382 -7.2382 -6.9594 -6.9594 -6.8663 -6.8663 -6.6868 -6.6868 -6.4474 -6.4474 -6.3697 -6.3697 -6.3588 -6.3588 -6.2171 -6.2171 -6.0496 -6.0496 -5.9359 -5.9359 1.9066 1.9066 2.0755 2.0755 2.1536 2.1536 2.5442 2.5442 2.6563 2.6563 2.7954 2.7954 3.0179 3.0179 3.1019 3.1019 3.1863 3.1863 3.3827 3.3827 3.4549 3.4549 3.5759 3.5759 3.8408 3.8408 3.8589 3.8589 4.1076 4.1076 4.3311 4.3311 4.4932 4.4932 4.6329 4.6329 8.1583 8.1583 8.3907 8.3907 8.6145 8.6145 8.7689 8.7689 8.8529 8.8529 8.8944 8.8944 8.9256 8.9256 k = 0.2609 0.4518-0.0000 ( 9995 PWs) bands (ev): -22.3841 -22.3841 -22.3833 -22.3833 -21.9379 -21.9379 -9.0435 -9.0435 -9.0274 -9.0274 -8.6434 -8.6434 -7.4001 -7.4001 -7.3261 -7.3261 -7.2318 -7.2318 -6.9628 -6.9628 -6.8723 -6.8723 -6.6899 -6.6899 -6.4509 -6.4509 -6.3655 -6.3655 -6.3545 -6.3545 -6.2225 -6.2225 -6.0487 -6.0487 -5.9292 -5.9292 1.8966 1.8966 2.0827 2.0827 2.1601 2.1601 2.5261 2.5261 2.6467 2.6467 2.8084 2.8084 3.0100 3.0100 3.1132 3.1132 3.2044 3.2044 3.3876 3.3876 3.4516 3.4516 3.5812 3.5812 3.8187 3.8187 3.8378 3.8378 4.1503 4.1503 4.3244 4.3244 4.4678 4.4678 4.6501 4.6501 8.1227 8.1227 8.3753 8.3753 8.6377 8.6377 8.7643 8.7643 8.8678 8.8678 8.8994 8.8994 8.9381 8.9381 k = 0.2464 0.4267-0.0000 ( 10003 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0451 -9.0451 -9.0257 -9.0257 -8.6429 -8.6429 -7.4025 -7.4025 -7.3239 -7.3239 -7.2244 -7.2244 -6.9670 -6.9670 -6.8794 -6.8794 -6.6934 -6.6934 -6.4575 -6.4575 -6.3602 -6.3602 -6.3493 -6.3493 -6.2271 -6.2271 -6.0474 -6.0474 -5.9220 -5.9220 1.8858 1.8858 2.0890 2.0890 2.1680 2.1680 2.5077 2.5077 2.6361 2.6361 2.8213 2.8213 3.0038 3.0038 3.1237 3.1237 3.2265 3.2265 3.3931 3.3931 3.4479 3.4479 3.5860 3.5860 3.7961 3.7961 3.8185 3.8185 4.1902 4.1902 4.3191 4.3191 4.4400 4.4400 4.6675 4.6675 8.0822 8.0822 8.3617 8.3617 8.6555 8.6555 8.7622 8.7622 8.8780 8.8780 8.9174 8.9174 8.9466 8.9466 k = 0.2319 0.4016-0.0000 ( 10005 PWs) bands (ev): -22.3843 -22.3843 -22.3831 -22.3831 -21.9379 -21.9379 -9.0467 -9.0467 -9.0240 -9.0240 -8.6423 -8.6423 -7.4054 -7.4054 -7.3205 -7.3205 -7.2161 -7.2161 -6.9718 -6.9718 -6.8876 -6.8876 -6.6973 -6.6973 -6.4676 -6.4676 -6.3541 -6.3541 -6.3428 -6.3428 -6.2303 -6.2303 -6.0460 -6.0460 -5.9143 -5.9143 1.8747 1.8747 2.0938 2.0938 2.1768 2.1768 2.4901 2.4901 2.6252 2.6252 2.8340 2.8340 2.9993 2.9993 3.1335 3.1335 3.2517 3.2517 3.3979 3.3979 3.4452 3.4452 3.5890 3.5890 3.7728 3.7728 3.8023 3.8023 4.2218 4.2218 4.3209 4.3209 4.4102 4.4102 4.6850 4.6850 8.0383 8.0383 8.3494 8.3494 8.6677 8.6677 8.7628 8.7628 8.8840 8.8840 8.9322 8.9322 8.9623 8.9623 k = 0.2174 0.3765-0.0000 ( 10015 PWs) bands (ev): -22.3844 -22.3844 -22.3830 -22.3830 -21.9379 -21.9379 -9.0483 -9.0483 -9.0223 -9.0223 -8.6417 -8.6417 -7.4088 -7.4088 -7.3159 -7.3159 -7.2070 -7.2070 -6.9774 -6.9774 -6.8965 -6.8965 -6.7013 -6.7013 -6.4812 -6.4812 -6.3473 -6.3473 -6.3354 -6.3354 -6.2316 -6.2316 -6.0445 -6.0445 -5.9063 -5.9063 1.8636 1.8636 2.0967 2.0967 2.1857 2.1857 2.4745 2.4745 2.6145 2.6145 2.8462 2.8462 2.9966 2.9966 3.1434 3.1434 3.2784 3.2784 3.4005 3.4005 3.4451 3.4451 3.5895 3.5895 3.7487 3.7487 3.7902 3.7902 4.2352 4.2352 4.3383 4.3383 4.3797 4.3797 4.7024 4.7024 7.9921 7.9921 8.3379 8.3379 8.6737 8.6737 8.7660 8.7660 8.8894 8.8894 8.9286 8.9286 8.9920 8.9920 k = 0.2029 0.3514-0.0000 ( 10013 PWs) bands (ev): -22.3845 -22.3845 -22.3829 -22.3829 -21.9379 -21.9379 -9.0498 -9.0498 -9.0206 -9.0206 -8.6410 -8.6410 -7.4126 -7.4126 -7.3102 -7.3102 -7.1971 -7.1971 -6.9838 -6.9838 -6.9059 -6.9059 -6.7053 -6.7053 -6.4981 -6.4981 -6.3401 -6.3401 -6.3273 -6.3273 -6.2309 -6.2309 -6.0433 -6.0433 -5.8982 -5.8982 1.8525 1.8525 2.0974 2.0974 2.1941 2.1941 2.4618 2.4618 2.6046 2.6046 2.8583 2.8583 2.9955 2.9955 3.1540 3.1540 3.3045 3.3045 3.4006 3.4006 3.4481 3.4481 3.5872 3.5872 3.7242 3.7242 3.7828 3.7828 4.2309 4.2309 4.3394 4.3394 4.3799 4.3799 4.7197 4.7197 7.9447 7.9447 8.3274 8.3274 8.6722 8.6722 8.7716 8.7716 8.8950 8.8950 8.9175 8.9175 9.0165 9.0165 k = 0.1884 0.3263-0.0000 ( 10017 PWs) bands (ev): -22.3846 -22.3846 -22.3828 -22.3828 -21.9379 -21.9379 -9.0512 -9.0512 -9.0189 -9.0189 -8.6402 -8.6402 -7.4164 -7.4164 -7.3036 -7.3036 -7.1865 -7.1865 -6.9908 -6.9908 -6.9157 -6.9157 -6.7093 -6.7093 -6.5176 -6.5176 -6.3326 -6.3326 -6.3190 -6.3190 -6.2282 -6.2282 -6.0424 -6.0424 -5.8900 -5.8900 1.8418 1.8418 2.0958 2.0958 2.2011 2.2011 2.4526 2.4526 2.5959 2.5959 2.8700 2.8700 2.9960 2.9960 3.1658 3.1658 3.3265 3.3265 3.4012 3.4012 3.4526 3.4526 3.5827 3.5827 3.6999 3.6999 3.7801 3.7801 4.2179 4.2179 4.3056 4.3056 4.4210 4.4210 4.7366 4.7366 7.8969 7.8969 8.3177 8.3177 8.6614 8.6614 8.7795 8.7795 8.8972 8.8972 8.9056 8.9056 9.0246 9.0246 k = 0.1739 0.3012-0.0000 ( 10015 PWs) bands (ev): -22.3847 -22.3847 -22.3827 -22.3827 -21.9379 -21.9379 -9.0526 -9.0526 -9.0173 -9.0173 -8.6394 -8.6394 -7.4204 -7.4204 -7.2961 -7.2961 -7.1752 -7.1752 -6.9986 -6.9986 -6.9254 -6.9254 -6.7132 -6.7132 -6.5392 -6.5392 -6.3251 -6.3251 -6.3110 -6.3110 -6.2235 -6.2235 -6.0421 -6.0421 -5.8819 -5.8819 1.8314 1.8314 2.0916 2.0916 2.2066 2.2066 2.4472 2.4472 2.5889 2.5889 2.8816 2.8816 2.9981 2.9981 3.1791 3.1791 3.3392 3.3392 3.4078 3.4078 3.4558 3.4558 3.5780 3.5780 3.6764 3.6764 3.7814 3.7814 4.2005 4.2005 4.2686 4.2686 4.4666 4.4666 4.7530 4.7530 7.8494 7.8494 8.3091 8.3091 8.6401 8.6401 8.7892 8.7892 8.8809 8.8809 8.9083 8.9083 9.0204 9.0204 k = 0.1594 0.2761-0.0000 ( 10009 PWs) bands (ev): -22.3848 -22.3848 -22.3826 -22.3826 -21.9379 -21.9379 -9.0539 -9.0539 -9.0158 -9.0158 -8.6385 -8.6385 -7.4242 -7.4242 -7.2879 -7.2879 -7.1634 -7.1634 -7.0070 -7.0070 -6.9349 -6.9349 -6.7170 -6.7170 -6.5623 -6.5623 -6.3176 -6.3176 -6.3035 -6.3035 -6.2171 -6.2171 -6.0423 -6.0423 -5.8739 -5.8739 1.8216 1.8216 2.0851 2.0851 2.2105 2.2105 2.4454 2.4454 2.5841 2.5841 2.8928 2.8928 3.0018 3.0018 3.1941 3.1941 3.3405 3.3405 3.4202 3.4202 3.4572 3.4572 3.5748 3.5748 3.6552 3.6552 3.7858 3.7858 4.1805 4.1805 4.2303 4.2303 4.5133 4.5133 4.7687 4.7687 7.8030 7.8030 8.3016 8.3016 8.6090 8.6090 8.8006 8.8006 8.8577 8.8577 8.9133 8.9133 9.0151 9.0151 k = 0.1449 0.2510-0.0000 ( 10017 PWs) bands (ev): -22.3848 -22.3848 -22.3826 -22.3826 -21.9379 -21.9379 -9.0551 -9.0551 -9.0143 -9.0143 -8.6376 -8.6376 -7.4280 -7.4280 -7.2790 -7.2790 -7.1511 -7.1511 -7.0160 -7.0160 -6.9439 -6.9439 -6.7207 -6.7207 -6.5862 -6.5862 -6.3103 -6.3103 -6.2967 -6.2967 -6.2092 -6.2092 -6.0432 -6.0432 -5.8662 -5.8662 1.8123 1.8123 2.0764 2.0764 2.2130 2.2130 2.4463 2.4463 2.5817 2.5817 2.9036 2.9036 3.0071 3.0071 3.2107 3.2107 3.3353 3.3353 3.4261 3.4261 3.4635 3.4635 3.5721 3.5721 3.6394 3.6394 3.7921 3.7921 4.1587 4.1587 4.1911 4.1911 4.5600 4.5600 4.7836 4.7836 7.7582 7.7582 8.2951 8.2951 8.5706 8.5706 8.8129 8.8129 8.8293 8.8293 8.9176 8.9176 9.0138 9.0138 k = 0.1304 0.2259-0.0000 ( 10033 PWs) bands (ev): -22.3849 -22.3849 -22.3825 -22.3825 -21.9379 -21.9379 -9.0562 -9.0562 -9.0130 -9.0130 -8.6368 -8.6368 -7.4315 -7.4315 -7.2694 -7.2694 -7.1388 -7.1388 -7.0253 -7.0253 -6.9523 -6.9523 -6.7243 -6.7243 -6.6104 -6.6104 -6.3034 -6.3034 -6.2908 -6.2908 -6.2001 -6.2001 -6.0448 -6.0448 -5.8588 -5.8588 1.8036 1.8036 2.0661 2.0661 2.2144 2.2144 2.4492 2.4492 2.5819 2.5819 2.9136 2.9136 3.0144 3.0144 3.2283 3.2283 3.3274 3.3274 3.4173 3.4173 3.4792 3.4792 3.5658 3.5658 3.6336 3.6336 3.7997 3.7997 4.1352 4.1352 4.1518 4.1518 4.6057 4.6057 4.7976 4.7976 7.7157 7.7157 8.2896 8.2896 8.5285 8.5285 8.7947 8.7947 8.8263 8.8263 8.9212 8.9212 9.0165 9.0165 k = 0.1159 0.2008-0.0000 ( 10011 PWs) bands (ev): -22.3850 -22.3850 -22.3824 -22.3824 -21.9379 -21.9379 -9.0573 -9.0573 -9.0117 -9.0117 -8.6360 -8.6360 -7.4347 -7.4347 -7.2593 -7.2593 -7.1268 -7.1268 -7.0344 -7.0344 -6.9599 -6.9599 -6.7281 -6.7281 -6.6343 -6.6343 -6.2970 -6.2970 -6.2857 -6.2857 -6.1900 -6.1900 -6.0471 -6.0471 -5.8519 -5.8519 1.7957 1.7957 2.0550 2.0550 2.2149 2.2149 2.4531 2.4531 2.5845 2.5845 2.9227 2.9227 3.0237 3.0237 3.2461 3.2461 3.3192 3.3192 3.4014 3.4014 3.4949 3.4949 3.5562 3.5562 3.6390 3.6390 3.8080 3.8080 4.1072 4.1072 4.1159 4.1159 4.6496 4.6496 4.8106 4.8106 7.6759 7.6759 8.2852 8.2852 8.4857 8.4857 8.7548 8.7548 8.8396 8.8396 8.9239 8.9239 9.0213 9.0213 k = 0.1014 0.1757-0.0000 ( 10021 PWs) bands (ev): -22.3850 -22.3850 -22.3824 -22.3824 -21.9379 -21.9379 -9.0582 -9.0582 -9.0106 -9.0106 -8.6352 -8.6352 -7.4377 -7.4377 -7.2488 -7.2488 -7.1161 -7.1161 -7.0425 -7.0425 -6.9666 -6.9666 -6.7323 -6.7323 -6.6570 -6.6570 -6.2913 -6.2913 -6.2814 -6.2814 -6.1793 -6.1793 -6.0502 -6.0502 -5.8455 -5.8455 1.7885 1.7885 2.0436 2.0436 2.2147 2.2147 2.4576 2.4576 2.5889 2.5889 2.9307 2.9307 3.0350 3.0350 3.2623 3.2623 3.3117 3.3117 3.3837 3.3837 3.5014 3.5014 3.5521 3.5521 3.6512 3.6512 3.8166 3.8166 4.0700 4.0700 4.0889 4.0889 4.6910 4.6910 4.8224 4.8224 7.6394 7.6394 8.2814 8.2814 8.4446 8.4446 8.7112 8.7112 8.8525 8.8525 8.9260 8.9260 9.0263 9.0263 k = 0.0870 0.1506-0.0000 ( 10027 PWs) bands (ev): -22.3851 -22.3851 -22.3823 -22.3823 -21.9379 -21.9379 -9.0590 -9.0590 -9.0096 -9.0096 -8.6345 -8.6345 -7.4403 -7.4403 -7.2379 -7.2379 -7.1087 -7.1087 -7.0478 -7.0478 -6.9724 -6.9724 -6.7375 -6.7375 -6.6775 -6.6775 -6.2862 -6.2862 -6.2777 -6.2777 -6.1684 -6.1684 -6.0539 -6.0539 -5.8398 -5.8398 1.7821 1.7821 2.0325 2.0325 2.2140 2.2140 2.4623 2.4623 2.5946 2.5946 2.9375 2.9375 3.0482 3.0482 3.2733 3.2733 3.3059 3.3059 3.3686 3.3686 3.4942 3.4942 3.5598 3.5598 3.6667 3.6667 3.8253 3.8253 4.0321 4.0321 4.0635 4.0635 4.7290 4.7290 4.8331 4.8331 7.6067 7.6067 8.2782 8.2782 8.4073 8.4073 8.6668 8.6668 8.8643 8.8643 8.9278 8.9278 9.0300 9.0300 k = 0.0725 0.1255-0.0000 ( 10019 PWs) bands (ev): -22.3851 -22.3851 -22.3823 -22.3823 -21.9379 -21.9379 -9.0597 -9.0597 -9.0087 -9.0087 -8.6338 -8.6338 -7.4425 -7.4425 -7.2267 -7.2267 -7.1069 -7.1069 -7.0480 -7.0480 -6.9772 -6.9772 -6.7448 -6.7448 -6.6943 -6.6943 -6.2819 -6.2819 -6.2747 -6.2747 -6.1576 -6.1576 -6.0583 -6.0583 -5.8348 -5.8348 1.7766 1.7766 2.0224 2.0224 2.2130 2.2130 2.4668 2.4668 2.6008 2.6008 2.9431 2.9431 3.0632 3.0632 3.2744 3.2744 3.3016 3.3016 3.3611 3.3611 3.4820 3.4820 3.5725 3.5725 3.6835 3.6835 3.8342 3.8342 3.9958 3.9958 4.0384 4.0384 4.7626 4.7626 4.8426 4.8426 7.5781 7.5781 8.2749 8.2749 8.3751 8.3751 8.6244 8.6244 8.8745 8.8745 8.9297 8.9297 9.0324 9.0324 k = 0.0580 0.1004-0.0000 ( 10009 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0602 -9.0602 -9.0080 -9.0080 -8.6333 -8.6333 -7.4444 -7.4444 -7.2154 -7.2154 -7.1111 -7.1111 -7.0431 -7.0431 -6.9810 -6.9810 -6.7548 -6.7548 -6.7060 -6.7060 -6.2783 -6.2783 -6.2722 -6.2722 -6.1471 -6.1471 -6.0633 -6.0633 -5.8306 -5.8306 1.7721 1.7721 2.0136 2.0136 2.2119 2.2119 2.4709 2.4709 2.6069 2.6069 2.9475 2.9475 3.0796 3.0796 3.2653 3.2653 3.2971 3.2971 3.3625 3.3625 3.4714 3.4714 3.5850 3.5850 3.7000 3.7000 3.8434 3.8434 3.9625 3.9625 4.0139 4.0139 4.7910 4.7910 4.8510 4.8510 7.5541 7.5541 8.2710 8.2710 8.3495 8.3495 8.5866 8.5866 8.8826 8.8826 8.9318 8.9318 9.0342 9.0342 k = 0.0435 0.0753-0.0000 ( 10005 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0607 -9.0607 -9.0074 -9.0074 -8.6328 -8.6328 -7.4458 -7.4458 -7.2043 -7.2043 -7.1190 -7.1190 -7.0357 -7.0357 -6.9837 -6.9837 -6.7662 -6.7662 -6.7131 -6.7131 -6.2756 -6.2756 -6.2702 -6.2702 -6.1374 -6.1374 -6.0685 -6.0685 -5.8273 -5.8273 1.7684 1.7684 2.0065 2.0065 2.2108 2.2108 2.4743 2.4743 2.6123 2.6123 2.9508 2.9508 3.0967 3.0967 3.2496 3.2496 3.2939 3.2939 3.3666 3.3666 3.4651 3.4651 3.5956 3.5956 3.7150 3.7150 3.8531 3.8531 3.9334 3.9334 3.9906 3.9906 4.8131 4.8131 4.8584 4.8584 7.5351 7.5351 8.2662 8.2662 8.3311 8.3311 8.5554 8.5554 8.8884 8.8884 8.9342 8.9342 9.0359 9.0359 k = 0.0290 0.0502-0.0000 ( 9987 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0610 -9.0610 -9.0070 -9.0070 -8.6325 -8.6325 -7.4469 -7.4469 -7.1938 -7.1938 -7.1281 -7.1281 -7.0286 -7.0286 -6.9855 -6.9855 -6.7768 -6.7768 -6.7169 -6.7169 -6.2737 -6.2737 -6.2688 -6.2688 -6.1289 -6.1289 -6.0737 -6.0737 -5.8248 -5.8248 1.7658 1.7658 2.0013 2.0013 2.2098 2.2098 2.4770 2.4770 2.6165 2.6165 2.9531 2.9531 3.1135 3.1135 3.2319 3.2319 3.2925 3.2925 3.3686 3.3686 3.4636 3.4636 3.6036 3.6036 3.7272 3.7272 3.8633 3.8633 3.9101 3.9101 3.9700 3.9700 4.8285 4.8285 4.8648 4.8648 7.5213 7.5213 8.2608 8.2608 8.3197 8.3197 8.5322 8.5322 8.8921 8.8921 8.9365 8.9365 9.0375 9.0375 k = 0.0145 0.0251-0.0000 ( 9999 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0612 -9.0612 -9.0067 -9.0067 -8.6323 -8.6323 -7.4475 -7.4475 -7.1854 -7.1854 -7.1360 -7.1360 -7.0238 -7.0238 -6.9863 -6.9863 -6.7841 -6.7841 -6.7189 -6.7189 -6.2726 -6.2726 -6.2679 -6.2679 -6.1228 -6.1228 -6.0778 -6.0778 -5.8234 -5.8234 1.7642 1.7642 1.9980 1.9980 2.2092 2.2092 2.4787 2.4787 2.6191 2.6191 2.9545 2.9545 3.1275 3.1275 3.2168 3.2168 3.2921 3.2921 3.3685 3.3685 3.4648 3.4648 3.6085 3.6085 3.7353 3.7353 3.8732 3.8732 3.8939 3.8939 3.9544 3.9544 4.8371 4.8371 4.8694 4.8694 7.5129 7.5129 8.2565 8.2565 8.3140 8.3140 8.5178 8.5178 8.8941 8.8941 8.9382 8.9382 9.0388 9.0388 k = 0.0000 0.0000 0.0000 ( 9991 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0612 -9.0612 -9.0066 -9.0066 -8.6322 -8.6322 -7.4477 -7.4477 -7.1818 -7.1818 -7.1394 -7.1394 -7.0221 -7.0221 -6.9866 -6.9866 -6.7867 -6.7867 -6.7195 -6.7195 -6.2723 -6.2723 -6.2676 -6.2676 -6.1205 -6.1205 -6.0795 -6.0795 -5.8229 -5.8229 1.7637 1.7637 1.9970 1.9970 2.2090 2.2090 2.4793 2.4793 2.6200 2.6200 2.9549 2.9549 3.1335 3.1335 3.2103 3.2103 3.2921 3.2921 3.3682 3.3682 3.4656 3.4656 3.6102 3.6102 3.7381 3.7381 3.8800 3.8800 3.8857 3.8857 3.9482 3.9482 4.8398 4.8398 4.8711 4.8711 7.5101 7.5101 8.2549 8.2549 8.3123 8.3123 8.5130 8.5130 8.8947 8.8947 8.9388 8.9388 9.0392 9.0392 k = 0.0000 0.0000 0.0000 ( 9991 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0612 -9.0612 -9.0066 -9.0066 -8.6322 -8.6322 -7.4477 -7.4477 -7.1818 -7.1818 -7.1394 -7.1394 -7.0221 -7.0221 -6.9866 -6.9866 -6.7867 -6.7867 -6.7195 -6.7195 -6.2723 -6.2723 -6.2676 -6.2676 -6.1205 -6.1205 -6.0795 -6.0795 -5.8229 -5.8229 1.7637 1.7637 1.9970 1.9970 2.2090 2.2090 2.4793 2.4793 2.6200 2.6200 2.9549 2.9549 3.1335 3.1335 3.2103 3.2103 3.2921 3.2921 3.3682 3.3682 3.4656 3.4656 3.6102 3.6102 3.7381 3.7381 3.8800 3.8800 3.8857 3.8857 3.9482 3.9482 4.8398 4.8398 4.8711 4.8711 7.5101 7.5101 8.2549 8.2549 8.3123 8.3123 8.5130 8.5130 8.8947 8.8947 8.9388 8.9388 9.0392 9.0392 k = 0.0000 0.0000 0.0285 ( 10003 PWs) bands (ev): -22.3852 -22.3852 -22.3822 -22.3822 -21.9379 -21.9379 -9.0612 -9.0612 -9.0067 -9.0067 -8.6323 -8.6323 -7.4475 -7.4474 -7.1814 -7.1814 -7.1396 -7.1396 -7.0231 -7.0231 -6.9879 -6.9879 -6.7866 -6.7865 -6.7171 -6.7171 -6.2730 -6.2730 -6.2672 -6.2672 -6.1209 -6.1209 -6.0790 -6.0790 -5.8235 -5.8235 1.7640 1.7640 1.9982 1.9982 2.2096 2.2096 2.4768 2.4796 2.6036 2.6314 2.9547 2.9547 3.1313 3.1313 3.2058 3.2117 3.2702 3.2702 3.3886 3.3886 3.4561 3.4834 3.6101 3.6101 3.7296 3.7488 3.8774 3.8774 3.8871 3.8871 3.9511 3.9511 4.8379 4.8388 4.8675 4.8675 7.5129 7.5129 8.2539 8.2596 8.3139 8.3139 8.5181 8.5181 8.8970 8.8970 8.9369 8.9446 9.0325 9.0458 k = 0.0000 0.0000 0.0570 ( 9997 PWs) bands (ev): -22.3852 -22.3852 -22.3821 -22.3821 -21.9378 -21.9378 -9.0612 -9.0612 -9.0068 -9.0068 -8.6326 -8.6326 -7.4466 -7.4466 -7.1802 -7.1801 -7.1402 -7.1402 -7.0263 -7.0263 -6.9917 -6.9917 -6.7862 -6.7860 -6.7101 -6.7101 -6.2746 -6.2746 -6.2664 -6.2664 -6.1221 -6.1220 -6.0775 -6.0775 -5.8253 -5.8252 1.7650 1.7650 2.0017 2.0017 2.2113 2.2113 2.4721 2.4778 2.5831 2.6371 2.9540 2.9540 3.1247 3.1247 3.1990 3.2100 3.2298 3.2298 3.4245 3.4245 3.4552 3.5082 3.6099 3.6099 3.7235 3.7614 3.8706 3.8706 3.8910 3.8910 3.9590 3.9590 4.8332 4.8349 4.8568 4.8568 7.5215 7.5215 8.2567 8.2679 8.3189 8.3189 8.5332 8.5332 8.9039 8.9039 8.9385 8.9544 9.0256 9.0526 k = 0.0000 0.0000 0.0855 ( 9991 PWs) bands (ev): -22.3852 -22.3852 -22.3821 -22.3821 -21.9378 -21.9378 -9.0612 -9.0612 -9.0070 -9.0070 -8.6331 -8.6331 -7.4452 -7.4451 -7.1782 -7.1780 -7.1412 -7.1412 -7.0316 -7.0316 -6.9973 -6.9973 -6.7855 -6.7853 -6.6991 -6.6991 -6.2768 -6.2768 -6.2658 -6.2658 -6.1241 -6.1240 -6.0750 -6.0750 -5.8282 -5.8282 1.7667 1.7667 2.0077 2.0077 2.2140 2.2140 2.4652 2.4741 2.5593 2.6366 2.9527 2.9527 3.1134 3.1134 3.1865 3.1865 3.1911 3.2063 3.4604 3.4604 3.4621 3.5383 3.6097 3.6097 3.7204 3.7755 3.8616 3.8616 3.8973 3.8973 3.9704 3.9704 4.8256 4.8282 4.8393 4.8393 7.5357 7.5357 8.2633 8.2797 8.3272 8.3272 8.5580 8.5580 8.9150 8.9150 8.9430 8.9682 9.0184 9.0601 k = 0.0000 0.0000 0.1140 ( 10003 PWs) bands (ev): -22.3851 -22.3851 -22.3821 -22.3821 -21.9377 -21.9377 -9.0611 -9.0611 -9.0073 -9.0073 -8.6337 -8.6337 -7.4432 -7.4431 -7.1753 -7.1752 -7.1427 -7.1427 -7.0391 -7.0391 -7.0039 -7.0039 -6.7845 -6.7842 -6.6846 -6.6846 -6.2795 -6.2795 -6.2655 -6.2655 -6.1268 -6.1267 -6.0714 -6.0714 -5.8323 -5.8322 1.7690 1.7690 2.0160 2.0160 2.2178 2.2178 2.4557 2.4683 2.5332 2.6297 2.9505 2.9505 3.0956 3.0956 3.1462 3.1462 3.1834 3.2023 3.4749 3.4916 3.4916 3.5718 3.6102 3.6102 3.7203 3.7908 3.8514 3.8514 3.9059 3.9059 3.9843 3.9843 4.8153 4.8155 4.8155 4.8186 7.5555 7.5555 8.2738 8.2950 8.3389 8.3389 8.5920 8.5920 8.9297 8.9297 8.9496 8.9856 9.0112 9.0692 k = 0.0000 0.0000 0.1425 ( 10015 PWs) bands (ev): -22.3851 -22.3851 -22.3821 -22.3821 -21.9376 -21.9376 -9.0610 -9.0610 -9.0076 -9.0076 -8.6346 -8.6346 -7.4407 -7.4406 -7.1717 -7.1715 -7.1446 -7.1446 -7.0485 -7.0485 -7.0110 -7.0110 -6.7832 -6.7829 -6.6675 -6.6675 -6.2824 -6.2824 -6.2657 -6.2657 -6.1303 -6.1302 -6.0670 -6.0670 -5.8376 -5.8375 1.7720 1.7720 2.0265 2.0265 2.2227 2.2227 2.4435 2.4607 2.5058 2.6168 2.9471 2.9471 3.0665 3.0665 3.1158 3.1158 3.1767 3.1993 3.4919 3.5143 3.5143 3.6072 3.6133 3.6133 3.7235 3.8072 3.8408 3.8408 3.9167 3.9167 4.0005 4.0005 4.7860 4.7860 4.8022 4.8064 7.5808 7.5808 8.2883 8.3136 8.3540 8.3540 8.6347 8.6347 8.9466 8.9466 8.9570 9.0005 9.0100 9.0808 k = 0.0000 0.0000 0.1710 ( 10003 PWs) bands (ev): -22.3850 -22.3850 -22.3820 -22.3820 -21.9376 -21.9376 -9.0609 -9.0609 -9.0080 -9.0080 -8.6356 -8.6356 -7.4377 -7.4375 -7.1673 -7.1671 -7.1471 -7.1471 -7.0595 -7.0595 -7.0182 -7.0182 -6.7817 -6.7813 -6.6482 -6.6482 -6.2857 -6.2857 -6.2663 -6.2663 -6.1346 -6.1344 -6.0616 -6.0616 -5.8439 -5.8438 1.7756 1.7756 2.0391 2.0391 2.2284 2.2284 2.4281 2.4511 2.4782 2.5985 2.9420 2.9420 3.0269 3.0269 3.0963 3.0963 3.1718 3.1981 3.5116 3.5249 3.5249 3.6215 3.6215 3.6432 3.7299 3.8246 3.8302 3.8302 3.9292 3.9292 4.0190 4.0190 4.7516 4.7516 4.7865 4.7915 7.6115 7.6115 8.3067 8.3356 8.3726 8.3726 8.6852 8.6852 8.9640 8.9640 8.9642 8.9944 9.0330 9.0960 k = 0.0000 0.0000 0.1995 ( 9979 PWs) bands (ev): -22.3850 -22.3850 -22.3819 -22.3819 -21.9374 -21.9374 -9.0609 -9.0609 -9.0085 -9.0085 -8.6368 -8.6368 -7.4342 -7.4340 -7.1621 -7.1619 -7.1502 -7.1502 -7.0714 -7.0714 -7.0253 -7.0253 -6.7799 -6.7794 -6.6274 -6.6274 -6.2893 -6.2893 -6.2675 -6.2675 -6.1394 -6.1392 -6.0553 -6.0553 -5.8513 -5.8512 1.7799 1.7799 2.0538 2.0538 2.2350 2.2350 2.4090 2.4397 2.4516 2.5757 2.9345 2.9345 2.9839 2.9839 3.0825 3.0825 3.1690 3.1992 3.5229 3.5229 3.5327 3.6344 3.6344 3.6786 3.7397 3.8198 3.8198 3.8429 3.9429 3.9429 4.0396 4.0396 4.7130 4.7130 4.7683 4.7740 7.6475 7.6475 8.3290 8.3606 8.3945 8.3945 8.7426 8.7426 8.9700 8.9790 8.9790 8.9869 9.0606 9.1089 k = 0.0000 0.0000 0.2280 ( 9997 PWs) bands (ev): -22.3849 -22.3849 -22.3819 -22.3819 -21.9373 -21.9373 -9.0608 -9.0608 -9.0090 -9.0090 -8.6381 -8.6381 -7.4302 -7.4300 -7.1562 -7.1559 -7.1540 -7.1540 -7.0839 -7.0839 -7.0322 -7.0322 -6.7778 -6.7772 -6.6054 -6.6054 -6.2932 -6.2932 -6.2693 -6.2693 -6.1450 -6.1447 -6.0484 -6.0484 -5.8598 -5.8596 1.7848 1.7848 2.0703 2.0703 2.2423 2.2423 2.3858 2.4264 2.4270 2.5493 2.9241 2.9241 2.9405 2.9405 3.0727 3.0727 3.1688 3.2026 3.5110 3.5110 3.5544 3.6489 3.6489 3.7124 3.7525 3.8097 3.8097 3.8622 3.9572 3.9572 4.0625 4.0625 4.6712 4.6712 4.7476 4.7541 7.6886 7.6886 8.3551 8.3887 8.4198 8.4198 8.8059 8.8059 8.9740 8.9796 8.9885 8.9885 9.0908 9.1230 k = 0.0000 0.0000 0.2565 ( 9997 PWs) bands (ev): -22.3848 -22.3848 -22.3818 -22.3818 -21.9372 -21.9372 -9.0607 -9.0607 -9.0096 -9.0096 -8.6396 -8.6396 -7.4258 -7.4256 -7.1585 -7.1585 -7.1496 -7.1493 -7.0965 -7.0965 -7.0389 -7.0389 -6.7755 -6.7748 -6.5825 -6.5825 -6.2973 -6.2973 -6.2717 -6.2717 -6.1511 -6.1508 -6.0408 -6.0408 -5.8692 -5.8691 1.7905 1.7905 2.0886 2.0886 2.2501 2.2501 2.3593 2.4041 2.4115 2.5202 2.8982 2.8982 2.9110 2.9110 3.0668 3.0668 3.1712 3.2083 3.4922 3.4922 3.5761 3.6622 3.6622 3.7435 3.7681 3.7998 3.7998 3.8828 3.9715 3.9715 4.0873 4.0873 4.6271 4.6271 4.7246 4.7319 7.7348 7.7348 8.3846 8.4194 8.4481 8.4481 8.8741 8.8741 8.9728 8.9760 8.9915 8.9915 9.1230 9.1455 k = 0.0000 0.0000 0.2850 ( 9961 PWs) bands (ev): -22.3847 -22.3847 -22.3817 -22.3817 -21.9371 -21.9371 -9.0606 -9.0606 -9.0102 -9.0102 -8.6413 -8.6413 -7.4210 -7.4208 -7.1638 -7.1638 -7.1424 -7.1421 -7.1088 -7.1088 -7.0451 -7.0451 -6.7729 -6.7722 -6.5590 -6.5590 -6.3016 -6.3016 -6.2747 -6.2747 -6.1577 -6.1574 -6.0328 -6.0328 -5.8795 -5.8794 1.7968 1.7968 2.1082 2.1082 2.2584 2.2584 2.3310 2.3820 2.3951 2.4894 2.8574 2.8574 2.8955 2.8955 3.0645 3.0645 3.1763 3.2161 3.4681 3.4681 3.5973 3.6730 3.6730 3.7714 3.7860 3.7900 3.7900 3.9047 3.9852 3.9852 4.1133 4.1133 4.5817 4.5817 4.6994 4.7075 7.7858 7.7858 8.4172 8.4525 8.4790 8.4790 8.9458 8.9458 8.9668 8.9764 8.9897 8.9897 9.1566 9.1748 k = 0.0000 0.0000 0.3135 ( 9967 PWs) bands (ev): -22.3846 -22.3846 -22.3816 -22.3816 -21.9369 -21.9369 -9.0605 -9.0605 -9.0109 -9.0109 -8.6431 -8.6431 -7.4159 -7.4157 -7.1699 -7.1699 -7.1345 -7.1342 -7.1208 -7.1208 -7.0509 -7.0509 -6.7701 -6.7693 -6.5352 -6.5352 -6.3060 -6.3060 -6.2782 -6.2782 -6.1647 -6.1644 -6.0245 -6.0245 -5.8908 -5.8907 1.8039 1.8039 2.1290 2.1290 2.2668 2.2668 2.3022 2.3601 2.3772 2.4575 2.8187 2.8187 2.8785 2.8785 3.0654 3.0654 3.1841 3.2260 3.4396 3.4396 3.6179 3.6810 3.6810 3.7803 3.7803 3.7956 3.8056 3.9276 3.9979 3.9979 4.1397 4.1397 4.5359 4.5359 4.6723 4.6811 7.8416 7.8416 8.4523 8.4874 8.5119 8.5119 8.9619 8.9756 8.9840 8.9840 9.0209 9.0209 9.1908 9.2082 k = 0.0000 0.0000 0.3420 ( 9967 PWs) bands (ev): -22.3845 -22.3845 -22.3815 -22.3815 -21.9368 -21.9368 -9.0605 -9.0605 -9.0116 -9.0116 -8.6450 -8.6450 -7.4105 -7.4102 -7.1767 -7.1767 -7.1322 -7.1322 -7.1261 -7.1257 -7.0561 -7.0561 -6.7671 -6.7663 -6.5114 -6.5114 -6.3105 -6.3105 -6.2821 -6.2821 -6.1722 -6.1718 -6.0162 -6.0162 -5.9028 -5.9027 1.8117 1.8117 2.1506 2.1506 2.2736 2.2752 2.2752 2.3380 2.3581 2.4253 2.7825 2.7825 2.8609 2.8609 3.0691 3.0691 3.1946 3.2379 3.4076 3.4076 3.6377 3.6860 3.6860 3.7706 3.7706 3.8160 3.8263 3.9512 4.0093 4.0093 4.1655 4.1655 4.4910 4.4910 4.6432 4.6529 7.9020 7.9020 8.4892 8.5232 8.5457 8.5457 8.9585 8.9744 8.9788 8.9788 9.0957 9.0957 9.2247 9.2434 k = 0.0000 0.0000 0.3706 ( 9979 PWs) bands (ev): -22.3844 -22.3844 -22.3814 -22.3814 -21.9366 -21.9366 -9.0604 -9.0604 -9.0123 -9.0123 -8.6471 -8.6471 -7.4048 -7.4046 -7.1842 -7.1842 -7.1430 -7.1430 -7.1171 -7.1168 -7.0606 -7.0606 -6.7640 -6.7631 -6.4879 -6.4879 -6.3148 -6.3148 -6.2864 -6.2864 -6.1799 -6.1795 -6.0079 -6.0079 -5.9155 -5.9155 1.8203 1.8203 2.1725 2.1725 2.2458 2.2833 2.2833 2.3158 2.3379 2.3932 2.7491 2.7491 2.8436 2.8436 3.0749 3.0749 3.2076 3.2517 3.3727 3.3727 3.6568 3.6881 3.6881 3.7607 3.7607 3.8332 3.8477 3.9746 4.0190 4.0190 4.1892 4.1892 4.4486 4.4486 4.6125 4.6230 7.9668 7.9668 8.5266 8.5589 8.5789 8.5789 8.9572 8.9735 8.9747 8.9747 9.1698 9.1698 9.2574 9.2785 k = 0.0000 0.0000 0.3991 ( 9979 PWs) bands (ev): -22.3843 -22.3843 -22.3814 -22.3814 -21.9364 -21.9364 -9.0604 -9.0604 -9.0130 -9.0130 -8.6492 -8.6492 -7.3990 -7.3987 -7.1922 -7.1922 -7.1531 -7.1531 -7.1077 -7.1074 -7.0646 -7.0646 -6.7607 -6.7598 -6.4650 -6.4650 -6.3189 -6.3189 -6.2908 -6.2908 -6.1879 -6.1874 -5.9998 -5.9998 -5.9290 -5.9290 1.8298 1.8298 2.1942 2.1942 2.2191 2.2908 2.2908 2.2935 2.3169 2.3617 2.7193 2.7193 2.8273 2.8273 3.0824 3.0824 3.2230 3.2674 3.3356 3.3356 3.6751 3.6873 3.6873 3.7507 3.7507 3.8476 3.8690 3.9971 4.0266 4.0266 4.2088 4.2088 4.4109 4.4109 4.5804 4.5918 8.0359 8.0359 8.5628 8.5927 8.6094 8.6094 8.9592 8.9744 8.9744 8.9746 9.2410 9.2410 9.2881 9.3119 k = 0.0000 0.0000 0.4276 ( 9967 PWs) bands (ev): -22.3842 -22.3842 -22.3813 -22.3813 -21.9363 -21.9363 -9.0604 -9.0604 -9.0137 -9.0137 -8.6514 -8.6514 -7.3930 -7.3927 -7.2005 -7.2005 -7.1625 -7.1625 -7.0980 -7.0976 -7.0679 -7.0679 -6.7572 -6.7563 -6.4431 -6.4431 -6.3224 -6.3224 -6.2952 -6.2952 -6.1959 -6.1954 -5.9922 -5.9922 -5.9430 -5.9429 1.8401 1.8401 2.1936 2.2149 2.2149 2.2713 2.2952 2.2976 2.2976 2.3312 2.6934 2.6934 2.8125 2.8125 3.0911 3.0911 3.2407 3.2850 3.2973 3.2973 3.6833 3.6833 3.6927 3.7409 3.7409 3.8597 3.8898 4.0179 4.0313 4.0313 4.2215 4.2215 4.3818 4.3818 4.5470 4.5594 8.1091 8.1091 8.5959 8.6226 8.6346 8.6346 8.9659 8.9795 8.9807 8.9807 9.3069 9.3069 9.3164 9.3429 k = 0.0000 0.0000 0.4561 ( 9955 PWs) bands (ev): -22.3841 -22.3841 -22.3812 -22.3812 -21.9361 -21.9361 -9.0605 -9.0605 -9.0144 -9.0144 -8.6536 -8.6536 -7.3870 -7.3867 -7.2090 -7.2090 -7.1713 -7.1713 -7.0878 -7.0875 -7.0708 -7.0708 -6.7538 -6.7528 -6.4233 -6.4233 -6.3250 -6.3250 -6.2991 -6.2991 -6.2040 -6.2034 -5.9850 -5.9850 -5.9575 -5.9574 1.8514 1.8514 2.1697 2.2339 2.2339 2.2495 2.2730 2.3019 2.3034 2.3034 2.6721 2.6721 2.7997 2.7997 3.1000 3.1000 3.2591 3.2591 3.2606 3.3043 3.6762 3.6762 3.7097 3.7313 3.7313 3.8698 3.9096 4.0322 4.0322 4.0365 4.2238 4.2238 4.3654 4.3654 4.5126 4.5262 8.1861 8.1861 8.6232 8.6461 8.6518 8.6518 8.9793 8.9907 8.9962 8.9962 9.3425 9.3629 9.3629 9.3747 k = 0.0000 0.0000 0.4846 ( 9991 PWs) bands (ev): -22.3840 -22.3840 -22.3811 -22.3811 -21.9359 -21.9359 -9.0605 -9.0605 -9.0151 -9.0151 -8.6559 -8.6559 -7.3809 -7.3807 -7.2174 -7.2174 -7.1794 -7.1794 -7.0775 -7.0771 -7.0731 -7.0731 -6.7503 -6.7493 -6.4065 -6.4065 -6.3264 -6.3264 -6.3016 -6.3016 -6.2119 -6.2113 -5.9785 -5.9785 -5.9724 -5.9722 1.8635 1.8635 2.1474 2.2282 2.2503 2.2503 2.2504 2.2741 2.3079 2.3079 2.6562 2.6562 2.7888 2.7888 3.1072 3.1072 3.2234 3.2234 3.2824 3.3253 3.6660 3.6660 3.7219 3.7219 3.7262 3.8783 3.9282 4.0280 4.0280 4.0523 4.2163 4.2163 4.3626 4.3626 4.4775 4.4924 8.2668 8.2668 8.6427 8.6599 8.6599 8.6612 9.0010 9.0102 9.0220 9.0220 9.3675 9.3943 9.3943 9.4217 k = 0.0000 0.0000 0.5131 ( 10003 PWs) bands (ev): -22.3839 -22.3839 -22.3810 -22.3810 -21.9358 -21.9358 -9.0606 -9.0606 -9.0157 -9.0157 -8.6582 -8.6582 -7.3749 -7.3747 -7.2256 -7.2256 -7.1869 -7.1869 -7.0750 -7.0750 -7.0670 -7.0667 -6.7468 -6.7459 -6.3944 -6.3944 -6.3273 -6.3273 -6.3004 -6.3004 -6.2195 -6.2189 -5.9875 -5.9872 -5.9728 -5.9728 1.8766 1.8766 2.1268 2.2075 2.2278 2.2480 2.2632 2.2632 2.3111 2.3111 2.6461 2.6461 2.7799 2.7799 3.1077 3.1077 3.1958 3.1958 3.3060 3.3479 3.6529 3.6529 3.7127 3.7127 3.7421 3.8855 3.9451 4.0173 4.0173 4.0651 4.2050 4.2050 4.3688 4.3688 4.4420 4.4583 8.3508 8.3508 8.6534 8.6594 8.6594 8.6675 9.0314 9.0386 9.0576 9.0576 9.3929 9.4203 9.4203 9.4485 k = 0.0000 0.0000 0.5416 ( 9991 PWs) bands (ev): -22.3838 -22.3838 -22.3809 -22.3809 -21.9356 -21.9356 -9.0608 -9.0608 -9.0163 -9.0163 -8.6604 -8.6604 -7.3691 -7.3688 -7.2335 -7.2335 -7.1938 -7.1938 -7.0766 -7.0766 -7.0564 -7.0561 -6.7434 -6.7425 -6.3876 -6.3876 -6.3294 -6.3294 -6.2932 -6.2932 -6.2268 -6.2262 -6.0028 -6.0024 -5.9678 -5.9678 1.8906 1.8906 2.1080 2.1878 2.2054 2.2236 2.2724 2.2724 2.3128 2.3128 2.6421 2.6421 2.7726 2.7726 3.0940 3.0940 3.1850 3.1850 3.3313 3.3719 3.6372 3.6372 3.7036 3.7036 3.7574 3.8914 3.9600 4.0000 4.0000 4.0744 4.1956 4.1956 4.3788 4.3788 4.4064 4.4245 8.4377 8.4377 8.6525 8.6525 8.6561 8.6659 9.0697 9.0748 9.1008 9.1008 9.4202 9.4468 9.4468 9.4771 k = 0.0000 0.0000 0.5701 ( 9997 PWs) bands (ev): -22.3837 -22.3837 -22.3808 -22.3808 -21.9354 -21.9354 -9.0609 -9.0609 -9.0169 -9.0169 -8.6626 -8.6626 -7.3634 -7.3632 -7.2409 -7.2409 -7.2000 -7.2000 -7.0778 -7.0778 -7.0459 -7.0456 -6.7402 -6.7393 -6.3852 -6.3852 -6.3329 -6.3329 -6.2806 -6.2806 -6.2336 -6.2329 -6.0181 -6.0176 -5.9638 -5.9638 1.9054 1.9054 2.0911 2.1691 2.1836 2.2009 2.2777 2.2777 2.3129 2.3129 2.6436 2.6436 2.7664 2.7664 3.0683 3.0683 3.1894 3.1894 3.3580 3.3973 3.6194 3.6194 3.6945 3.6945 3.7722 3.8963 3.9727 3.9770 3.9770 4.0799 4.1901 4.1901 4.3713 4.3896 4.3896 4.3915 8.5268 8.5268 8.6415 8.6415 8.6522 8.6584 9.1139 9.1169 9.1491 9.1491 9.4505 9.4749 9.4749 9.5073 k = 0.0000 0.0000 0.5986 ( 9997 PWs) bands (ev): -22.3836 -22.3836 -22.3807 -22.3807 -21.9353 -21.9353 -9.0611 -9.0611 -9.0174 -9.0174 -8.6648 -8.6648 -7.3580 -7.3577 -7.2479 -7.2479 -7.2056 -7.2056 -7.0788 -7.0788 -7.0356 -7.0353 -6.7372 -6.7363 -6.3855 -6.3855 -6.3371 -6.3371 -6.2649 -6.2649 -6.2398 -6.2391 -6.0332 -6.0327 -5.9606 -5.9606 1.9209 1.9209 2.0762 2.1515 2.1628 2.1796 2.2797 2.2797 2.3117 2.3117 2.6490 2.6490 2.7609 2.7609 3.0403 3.0403 3.2007 3.2007 3.3860 3.4238 3.5997 3.5997 3.6855 3.6855 3.7865 3.9002 3.9502 3.9502 3.9828 4.0814 4.1882 4.1882 4.3371 4.3598 4.3999 4.3999 8.6109 8.6109 8.6354 8.6354 8.6440 8.6472 9.1615 9.1626 9.2003 9.2003 9.4842 9.5050 9.5050 9.5399 k = 0.0000 0.0000 0.6271 ( 10003 PWs) bands (ev): -22.3836 -22.3836 -22.3806 -22.3806 -21.9351 -21.9351 -9.0613 -9.0613 -9.0179 -9.0179 -8.6668 -8.6668 -7.3528 -7.3526 -7.2544 -7.2544 -7.2106 -7.2106 -7.0796 -7.0796 -7.0256 -7.0253 -6.7344 -6.7336 -6.3873 -6.3873 -6.3416 -6.3416 -6.2480 -6.2480 -6.2453 -6.2445 -6.0480 -6.0475 -5.9584 -5.9584 1.9369 1.9369 2.0632 2.1353 2.1434 2.1597 2.2790 2.2790 2.3098 2.3098 2.6552 2.6552 2.7567 2.7567 3.0153 3.0153 3.2149 3.2149 3.4151 3.4512 3.5783 3.5783 3.6769 3.6769 3.8002 3.9032 3.9215 3.9215 3.9899 4.0786 4.1889 4.1889 4.3046 4.3301 4.4089 4.4089 8.6098 8.6098 8.6330 8.6340 8.7150 8.7150 9.2097 9.2105 9.2522 9.2522 9.5216 9.5370 9.5370 9.5750 k = 0.0000 0.0000 0.6556 ( 9979 PWs) bands (ev): -22.3835 -22.3835 -22.3806 -22.3806 -21.9350 -21.9350 -9.0615 -9.0615 -9.0183 -9.0183 -8.6687 -8.6687 -7.3481 -7.3479 -7.2603 -7.2603 -7.2149 -7.2149 -7.0802 -7.0802 -7.0160 -7.0157 -6.7320 -6.7312 -6.3899 -6.3899 -6.3461 -6.3461 -6.2499 -6.2492 -6.2310 -6.2310 -6.0623 -6.0617 -5.9570 -5.9570 1.9531 1.9531 2.0522 2.1205 2.1255 2.1414 2.2762 2.2762 2.3080 2.3080 2.6572 2.6572 2.7563 2.7563 2.9959 2.9959 3.2301 3.2301 3.4450 3.4793 3.5557 3.5557 3.6692 3.6692 3.8132 3.8921 3.8921 3.9052 3.9936 4.0711 4.1912 4.1912 4.2747 4.3032 4.4166 4.4166 8.5952 8.5952 8.6200 8.6206 8.8089 8.8089 9.2567 9.2589 9.3033 9.3033 9.5623 9.5699 9.5699 9.6126 k = 0.0000 0.0000 0.6841 ( 9967 PWs) bands (ev): -22.3834 -22.3834 -22.3805 -22.3805 -21.9349 -21.9349 -9.0617 -9.0617 -9.0187 -9.0187 -8.6704 -8.6704 -7.3437 -7.3436 -7.2656 -7.2656 -7.2187 -7.2187 -7.0807 -7.0807 -7.0070 -7.0067 -6.7298 -6.7291 -6.3926 -6.3926 -6.3502 -6.3502 -6.2538 -6.2530 -6.2145 -6.2145 -6.0759 -6.0753 -5.9564 -5.9564 1.9693 1.9693 2.0431 2.1073 2.1091 2.1246 2.2719 2.2719 2.3070 2.3070 2.6502 2.6502 2.7626 2.7626 2.9828 2.9828 3.2456 3.2456 3.4753 3.5077 3.5322 3.5322 3.6628 3.6628 3.8255 3.8630 3.8630 3.9063 3.9934 4.0591 4.1944 4.1944 4.2484 4.2795 4.4229 4.4229 8.5808 8.5808 8.6063 8.6078 8.9037 8.9037 9.3020 9.3051 9.3519 9.3519 9.6014 9.6014 9.6058 9.6527 k = 0.0000 0.0000 0.7126 ( 9961 PWs) bands (ev): -22.3833 -22.3833 -22.3804 -22.3804 -21.9348 -21.9348 -9.0619 -9.0619 -9.0190 -9.0190 -8.6720 -8.6720 -7.3399 -7.3397 -7.2703 -7.2703 -7.2219 -7.2219 -7.0810 -7.0810 -6.9987 -6.9985 -6.7280 -6.7274 -6.3953 -6.3953 -6.3541 -6.3541 -6.2567 -6.2560 -6.1991 -6.1991 -6.0886 -6.0880 -5.9566 -5.9566 1.9850 1.9850 2.0361 2.0942 2.0956 2.1095 2.2667 2.2667 2.3075 2.3075 2.6340 2.6340 2.7755 2.7755 2.9755 2.9755 3.2610 3.2610 3.5058 3.5080 3.5080 3.5359 3.6585 3.6585 3.8348 3.8348 3.8370 3.9064 3.9889 4.0431 4.1980 4.1980 4.2267 4.2593 4.4277 4.4277 8.5675 8.5675 8.5934 8.5955 8.9978 8.9978 9.3441 9.3478 9.3968 9.3968 9.6270 9.6270 9.6515 9.6943 k = 0.0000 0.0000 0.7411 ( 9944 PWs) bands (ev): -22.3833 -22.3833 -22.3804 -22.3804 -21.9347 -21.9347 -9.0620 -9.0620 -9.0193 -9.0193 -8.6733 -8.6733 -7.3365 -7.3364 -7.2742 -7.2742 -7.2245 -7.2245 -7.0813 -7.0813 -6.9913 -6.9911 -6.7266 -6.7261 -6.3978 -6.3978 -6.3575 -6.3575 -6.2588 -6.2581 -6.1852 -6.1852 -6.1000 -6.0995 -5.9573 -5.9573 1.9996 1.9996 2.0311 2.0808 2.0857 2.0964 2.2614 2.2614 2.3097 2.3097 2.6117 2.6117 2.7920 2.7920 2.9725 2.9725 3.2761 3.2761 3.4837 3.4837 3.5358 3.5633 3.6567 3.6567 3.8076 3.8076 3.8474 3.9053 3.9804 4.0239 4.2016 4.2016 4.2103 4.2425 4.4314 4.4314 8.5556 8.5556 8.5820 8.5843 9.0903 9.0903 9.3819 9.3857 9.4366 9.4366 9.6424 9.6424 9.6982 9.7309 k = 0.0000 0.0000 0.7696 ( 9938 PWs) bands (ev): -22.3832 -22.3832 -22.3803 -22.3803 -21.9346 -21.9346 -9.0622 -9.0622 -9.0195 -9.0195 -8.6744 -8.6744 -7.3337 -7.3336 -7.2775 -7.2775 -7.2266 -7.2266 -7.0815 -7.0815 -6.9850 -6.9849 -6.7255 -6.7251 -6.3999 -6.3999 -6.3603 -6.3603 -6.2601 -6.2595 -6.1732 -6.1732 -6.1101 -6.1095 -5.9584 -5.9584 2.0125 2.0125 2.0280 2.0688 2.0776 2.0855 2.2565 2.2565 2.3136 2.3136 2.5871 2.5871 2.8092 2.8092 2.9722 2.9722 3.2908 3.2908 3.4598 3.4598 3.5646 3.5889 3.6581 3.6581 3.7819 3.7819 3.8567 3.9030 3.9691 4.0033 4.1993 4.2049 4.2049 4.2287 4.4341 4.4341 8.5456 8.5456 8.5723 8.5745 9.1795 9.1795 9.4144 9.4180 9.4705 9.4705 9.6456 9.6456 9.7445 9.7686 k = 0.0000 0.0000 0.7981 ( 9938 PWs) bands (ev): -22.3832 -22.3832 -22.3803 -22.3803 -21.9346 -21.9346 -9.0623 -9.0623 -9.0197 -9.0197 -8.6753 -8.6753 -7.3315 -7.3314 -7.2801 -7.2801 -7.2282 -7.2282 -7.0816 -7.0816 -6.9799 -6.9798 -6.7247 -6.7244 -6.4017 -6.4017 -6.3626 -6.3626 -6.2609 -6.2603 -6.1633 -6.1633 -6.1183 -6.1179 -5.9596 -5.9596 2.0233 2.0233 2.0269 2.0581 2.0714 2.0769 2.2523 2.2523 2.3190 2.3190 2.5632 2.5632 2.8250 2.8250 2.9731 2.9731 3.3051 3.3051 3.4370 3.4370 3.5910 3.6114 3.6627 3.6627 3.7579 3.7579 3.8644 3.8992 3.9571 3.9830 4.1931 4.2076 4.2076 4.2173 4.4360 4.4360 8.5376 8.5376 8.5646 8.5664 9.2635 9.2635 9.4408 9.4438 9.4977 9.4977 9.6361 9.6361 9.7834 9.7834 k = 0.0000 0.0000 0.8266 ( 9914 PWs) bands (ev): -22.3832 -22.3832 -22.3803 -22.3803 -21.9345 -21.9345 -9.0624 -9.0624 -9.0198 -9.0198 -8.6760 -8.6760 -7.3299 -7.3298 -7.2819 -7.2819 -7.2293 -7.2293 -7.0817 -7.0817 -6.9761 -6.9761 -6.7241 -6.7239 -6.4030 -6.4030 -6.3642 -6.3642 -6.2611 -6.2608 -6.1560 -6.1560 -6.1244 -6.1241 -5.9607 -5.9607 2.0277 2.0313 2.0313 2.0488 2.0671 2.0705 2.2491 2.2491 2.3249 2.3249 2.5429 2.5429 2.8377 2.8377 2.9743 2.9743 3.3187 3.3187 3.4164 3.4164 3.6137 3.6287 3.6708 3.6708 3.7358 3.7358 3.8706 3.8938 3.9475 3.9653 4.1909 4.2081 4.2098 4.2098 4.4372 4.4372 8.5318 8.5318 8.5591 8.5604 9.3390 9.3390 9.4603 9.4625 9.5178 9.5178 9.6151 9.6151 9.7892 9.7892 k = 0.0000 0.0000 0.8551 ( 9914 PWs) bands (ev): -22.3831 -22.3831 -22.3802 -22.3802 -21.9345 -21.9345 -9.0624 -9.0624 -9.0199 -9.0199 -8.6764 -8.6764 -7.3289 -7.3289 -7.2830 -7.2830 -7.2300 -7.2300 -7.0817 -7.0817 -6.9738 -6.9738 -6.7238 -6.7237 -6.4037 -6.4037 -6.3652 -6.3652 -6.2612 -6.2610 -6.1514 -6.1514 -6.1282 -6.1280 -5.9615 -5.9615 2.0304 2.0363 2.0363 2.0410 2.0648 2.0665 2.2472 2.2472 2.3296 2.3296 2.5291 2.5291 2.8459 2.8459 2.9752 2.9752 3.3304 3.3304 3.4002 3.4002 3.6305 3.6386 3.6821 3.6821 3.7161 3.7161 3.8758 3.8875 3.9429 3.9521 4.1918 4.2007 4.2111 4.2111 4.4378 4.4378 8.5283 8.5283 8.5559 8.5566 9.3994 9.3994 9.4724 9.4736 9.5305 9.5305 9.5875 9.5875 9.7926 9.7926 k = 0.0000 0.0000 0.8836 ( 9896 PWs) bands (ev): -22.3831 -22.3831 -22.3802 -22.3802 -21.9345 -21.9345 -9.0625 -9.0625 -9.0199 -9.0199 -8.6765 -8.6765 -7.3285 -7.3285 -7.2834 -7.2834 -7.2302 -7.2302 -7.0817 -7.0817 -6.9731 -6.9731 -6.7236 -6.7236 -6.4040 -6.4040 -6.3656 -6.3656 -6.2611 -6.2611 -6.1499 -6.1499 -6.1294 -6.1294 -5.9618 -5.9618 2.0348 2.0348 2.0380 2.0380 2.0646 2.0646 2.2465 2.2465 2.3314 2.3314 2.5241 2.5241 2.8488 2.8488 2.9755 2.9755 3.3357 3.3357 3.3934 3.3934 3.6393 3.6393 3.6926 3.6926 3.7028 3.7028 3.8812 3.8812 3.9444 3.9444 4.1952 4.1952 4.2115 4.2115 4.4380 4.4380 8.5271 8.5271 8.5551 8.5551 9.4259 9.4259 9.4769 9.4769 9.5355 9.5355 9.5712 9.5712 9.7937 9.7937 k = 0.0000 0.0000 0.8836 ( 9896 PWs) bands (ev): -22.3831 -22.3831 -22.3802 -22.3802 -21.9345 -21.9345 -9.0625 -9.0625 -9.0199 -9.0199 -8.6765 -8.6765 -7.3285 -7.3285 -7.2834 -7.2834 -7.2302 -7.2302 -7.0817 -7.0817 -6.9731 -6.9731 -6.7236 -6.7236 -6.4040 -6.4040 -6.3656 -6.3656 -6.2611 -6.2611 -6.1499 -6.1499 -6.1294 -6.1294 -5.9618 -5.9618 2.0348 2.0348 2.0380 2.0380 2.0646 2.0646 2.2465 2.2465 2.3314 2.3314 2.5241 2.5241 2.8488 2.8488 2.9755 2.9755 3.3357 3.3357 3.3934 3.3934 3.6393 3.6393 3.6926 3.6926 3.7028 3.7028 3.8812 3.8812 3.9444 3.9444 4.1952 4.1952 4.2115 4.2115 4.4380 4.4380 8.5271 8.5271 8.5551 8.5551 9.4259 9.4259 9.4769 9.4769 9.5355 9.5355 9.5712 9.5712 9.7937 9.7937 k = 0.0250 0.0144 0.8836 ( 9910 PWs) bands (ev): -22.3831 -22.3831 -22.3802 -22.3802 -21.9345 -21.9345 -9.0624 -9.0624 -9.0200 -9.0200 -8.6765 -8.6765 -7.3297 -7.3295 -7.2838 -7.2834 -7.2286 -7.2285 -7.0823 -7.0822 -6.9727 -6.9727 -6.7234 -6.7234 -6.4043 -6.4043 -6.3656 -6.3656 -6.2610 -6.2610 -6.1503 -6.1502 -6.1311 -6.1308 -5.9602 -5.9602 2.0329 2.0330 2.0381 2.0383 2.0636 2.0640 2.2456 2.2457 2.3321 2.3322 2.5254 2.5255 2.8490 2.8491 2.9721 2.9721 3.3373 3.3374 3.3953 3.3954 3.6203 3.6213 3.7005 3.7008 3.7129 3.7141 3.8811 3.8813 3.9445 3.9446 4.1916 4.1920 4.2167 4.2169 4.4383 4.4383 8.5293 8.5294 8.5572 8.5572 9.4254 9.4254 9.4727 9.4732 9.5309 9.5315 9.5719 9.5719 9.8009 9.8011 k = 0.0500 0.0289 0.8836 ( 9926 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0623 -9.0623 -9.0202 -9.0202 -8.6766 -8.6766 -7.3333 -7.3317 -7.2852 -7.2827 -7.2241 -7.2235 -7.0839 -7.0837 -6.9719 -6.9715 -6.7228 -6.7227 -6.4054 -6.4049 -6.3658 -6.3654 -6.2610 -6.2604 -6.1521 -6.1508 -6.1361 -6.1339 -5.9558 -5.9555 2.0281 2.0290 2.0371 2.0379 2.0602 2.0624 2.2428 2.2435 2.3339 2.3354 2.5290 2.5292 2.8498 2.8500 2.9623 2.9625 3.3420 3.3427 3.4008 3.4016 3.5883 3.5929 3.6939 3.6957 3.7477 3.7530 3.8804 3.8819 3.9445 3.9452 4.1859 4.1881 4.2267 4.2279 4.4390 4.4394 8.5357 8.5361 8.5634 8.5638 9.4234 9.4238 9.4586 9.4616 9.5196 9.5239 9.5739 9.5741 9.8182 9.8197 k = 0.0750 0.0433 0.8836 ( 9938 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0621 -9.0621 -9.0205 -9.0205 -8.6766 -8.6766 -7.3390 -7.3347 -7.2876 -7.2806 -7.2176 -7.2162 -7.0866 -7.0858 -6.9708 -6.9694 -6.7219 -6.7215 -6.4073 -6.4056 -6.3663 -6.3651 -6.2611 -6.2593 -6.1564 -6.1518 -6.1441 -6.1367 -5.9492 -5.9482 2.0213 2.0242 2.0343 2.0361 2.0540 2.0600 2.2380 2.2402 2.3376 2.3421 2.5334 2.5342 2.8513 2.8519 2.9470 2.9477 3.3492 3.3511 3.4094 3.4114 3.5558 3.5660 3.6831 3.6885 3.7842 3.7960 3.8790 3.8837 3.9436 3.9461 4.1811 4.1874 4.2383 4.2407 4.4402 4.4413 8.5458 8.5471 8.5738 8.5751 9.4179 9.4211 9.4366 9.4414 9.5076 9.5177 9.5767 9.5773 9.8293 9.8344 k = 0.1000 0.0577 0.8836 ( 9954 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0619 -9.0618 -9.0210 -9.0209 -8.6767 -8.6767 -7.3461 -7.3381 -7.2906 -7.2775 -7.2095 -7.2075 -7.0904 -7.0886 -6.9696 -6.9664 -6.7207 -6.7198 -6.4101 -6.4063 -6.3671 -6.3646 -6.2617 -6.2576 -6.1634 -6.1565 -6.1513 -6.1382 -5.9409 -5.9391 2.0130 2.0189 2.0296 2.0319 2.0461 2.0563 2.2318 2.2364 2.3435 2.3528 2.5371 2.5389 2.8535 2.8547 2.9279 2.9299 3.3584 3.3618 3.4204 3.4240 3.5246 3.5423 3.6688 3.6800 3.8193 3.8381 3.8772 3.8893 3.9413 3.9473 4.1780 4.1911 4.2504 4.2544 4.4418 4.4445 8.5590 8.5619 8.5888 8.5913 9.3973 9.4143 9.4170 9.4221 9.4978 9.5136 9.5797 9.5809 9.8117 9.8175 k = 0.1250 0.0722 0.8836 ( 9962 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0615 -9.0614 -9.0216 -9.0215 -8.6767 -8.6767 -7.3539 -7.3416 -7.2936 -7.2735 -7.2003 -7.1984 -7.0950 -7.0917 -6.9684 -6.9622 -6.7193 -6.7177 -6.4140 -6.4068 -6.3683 -6.3639 -6.2627 -6.2551 -6.1720 -6.1688 -6.1531 -6.1385 -5.9317 -5.9288 2.0032 2.0120 2.0231 2.0240 2.0390 2.0514 2.2251 2.2332 2.3518 2.3672 2.5384 2.5416 2.8567 2.8576 2.9067 2.9122 3.3693 3.3733 3.4334 3.4378 3.4951 3.5224 3.6524 3.6711 3.8494 3.8659 3.8774 3.9098 3.9369 3.9488 4.1770 4.2001 4.2624 4.2680 4.4442 4.4490 8.5750 8.5795 8.6087 8.6127 9.3654 9.3841 9.4113 9.4150 9.4895 9.5105 9.5816 9.5836 9.7815 9.7869 k = 0.1500 0.0866 0.8836 ( 9960 PWs) bands (ev): -22.3830 -22.3830 -22.3804 -22.3804 -21.9345 -21.9345 -9.0611 -9.0609 -9.0224 -9.0222 -8.6768 -8.6768 -7.3618 -7.3453 -7.2965 -7.2691 -7.1905 -7.1893 -7.1004 -7.0950 -6.9674 -6.9571 -6.7177 -6.7150 -6.4189 -6.4072 -6.3696 -6.3631 -6.2645 -6.2520 -6.1834 -6.1810 -6.1545 -6.1384 -5.9220 -5.9179 1.9920 2.0002 2.0149 2.0157 2.0337 2.0458 2.2193 2.2313 2.3622 2.3843 2.5360 2.5408 2.8563 2.8607 2.8857 2.9009 3.3813 3.3841 3.4478 3.4500 3.4677 3.5080 3.6355 3.6624 3.8621 3.8742 3.8912 3.9306 3.9435 3.9559 4.1787 4.2141 4.2743 4.2806 4.4476 4.4550 8.5934 8.5992 8.6340 8.6389 9.3326 9.3534 9.4038 9.4070 9.4819 9.5081 9.5805 9.5829 9.7487 9.7537 k = 0.1750 0.1010 0.8836 ( 9982 PWs) bands (ev): -22.3830 -22.3830 -22.3804 -22.3804 -21.9345 -21.9345 -9.0607 -9.0604 -9.0233 -9.0230 -8.6769 -8.6769 -7.3694 -7.3491 -7.2988 -7.2642 -7.1808 -7.1803 -7.1061 -7.0984 -6.9668 -6.9509 -6.7159 -6.7120 -6.4247 -6.4074 -6.3708 -6.3623 -6.2668 -6.2486 -6.1991 -6.1897 -6.1559 -6.1381 -5.9120 -5.9068 1.9792 1.9833 2.0050 2.0087 2.0298 2.0404 2.2153 2.2314 2.3743 2.4026 2.5293 2.5352 2.8456 2.8597 2.8726 2.9032 3.3920 3.3936 3.4419 3.4542 3.4636 3.5042 3.6200 3.6540 3.8616 3.8769 3.9102 3.9271 3.9488 3.9941 4.1844 4.2315 4.2866 4.2913 4.4524 4.4626 8.6140 8.6206 8.6645 8.6696 9.3013 9.3242 9.3938 9.3970 9.4741 9.5061 9.5736 9.5748 9.7195 9.7230 k = 0.2000 0.1155 0.8836 ( 9974 PWs) bands (ev): -22.3829 -22.3829 -22.3805 -22.3805 -21.9345 -21.9345 -9.0601 -9.0597 -9.0243 -9.0238 -8.6770 -8.6770 -7.3766 -7.3530 -7.3004 -7.2592 -7.1731 -7.1705 -7.1117 -7.1018 -6.9665 -6.9439 -6.7140 -6.7086 -6.4314 -6.4077 -6.3713 -6.3616 -6.2697 -6.2452 -6.2155 -6.1976 -6.1573 -6.1377 -5.9021 -5.8959 1.9640 1.9645 1.9939 2.0006 2.0278 2.0361 2.2138 2.2338 2.3870 2.4200 2.5187 2.5241 2.8304 2.8452 2.8778 2.9155 3.3943 3.4053 3.4188 3.4476 3.4796 3.5128 3.6078 3.6463 3.8598 3.8784 3.9066 3.9435 3.9497 4.0325 4.1956 4.2487 4.2995 4.3017 4.4589 4.4714 8.6368 8.6435 8.6996 8.7043 9.2729 9.2977 9.3811 9.3841 9.4649 9.5044 9.5549 9.5590 9.6972 9.6980 k = 0.2250 0.1299 0.8836 ( 9978 PWs) bands (ev): -22.3829 -22.3829 -22.3806 -22.3806 -21.9345 -21.9345 -9.0595 -9.0590 -9.0254 -9.0248 -8.6771 -8.6771 -7.3831 -7.3571 -7.3011 -7.2540 -7.1664 -7.1623 -7.1161 -7.1049 -6.9664 -6.9362 -6.7120 -6.7051 -6.4387 -6.4084 -6.3708 -6.3612 -6.2727 -6.2445 -6.2297 -6.2047 -6.1588 -6.1375 -5.8924 -5.8855 1.9436 1.9483 1.9818 1.9907 2.0284 2.0336 2.2152 2.2386 2.3995 2.4329 2.5067 2.5076 2.8165 2.8320 2.8872 2.9331 3.3869 3.4002 3.4144 3.4372 3.4956 3.5268 3.6010 3.6392 3.8584 3.8794 3.8967 3.9501 3.9638 4.0637 4.2142 4.2614 4.3047 4.3224 4.4672 4.4814 8.6615 8.6678 8.7386 8.7423 9.2482 9.2747 9.3652 9.3679 9.4520 9.5015 9.5252 9.5392 9.6744 9.6816 k = 0.2500 0.1443 0.8836 ( 9962 PWs) bands (ev): -22.3828 -22.3828 -22.3806 -22.3806 -21.9345 -21.9345 -9.0589 -9.0582 -9.0266 -9.0258 -8.6772 -8.6772 -7.3889 -7.3614 -7.3008 -7.2487 -7.1610 -7.1578 -7.1173 -7.1076 -6.9664 -6.9281 -6.7098 -6.7015 -6.4463 -6.4096 -6.3689 -6.3614 -6.2755 -6.2559 -6.2324 -6.2110 -6.1602 -6.1373 -5.8831 -5.8756 1.9233 1.9308 1.9694 1.9792 2.0313 2.0333 2.2192 2.2457 2.4105 2.4351 2.4863 2.4988 2.8066 2.8230 2.8988 2.9541 3.3698 3.3855 3.4124 3.4343 3.5110 3.5408 3.5999 3.6334 3.8569 3.8804 3.8883 3.9502 3.9826 4.0864 4.2398 4.2680 4.3076 4.3486 4.4771 4.4919 8.6880 8.6934 8.7808 8.7830 9.2278 9.2558 9.3458 9.3481 9.4323 9.4797 9.5082 9.5211 9.6504 9.6632 k = 0.2750 0.1588 0.8836 ( 9982 PWs) bands (ev): -22.3827 -22.3827 -22.3807 -22.3807 -21.9345 -21.9345 -9.0582 -9.0573 -9.0278 -9.0269 -8.6773 -8.6773 -7.3940 -7.3659 -7.2995 -7.2434 -7.1586 -7.1569 -7.1139 -7.1097 -6.9663 -6.9201 -6.7074 -6.6979 -6.4539 -6.4113 -6.3654 -6.3623 -6.2778 -6.2735 -6.2296 -6.2167 -6.1615 -6.1374 -5.8742 -5.8665 1.9034 1.9129 1.9570 1.9670 2.0353 2.0363 2.2258 2.2549 2.4188 2.4224 2.4616 2.4984 2.8020 2.8186 2.9121 2.9773 3.3508 3.3676 3.3990 3.4393 3.5253 3.5523 3.6037 3.6297 3.8532 3.8813 3.8856 3.9502 3.9998 4.1021 4.2663 4.2702 4.3119 4.3774 4.4881 4.5026 8.7159 8.7202 8.8252 8.8256 9.2120 9.2414 9.3230 9.3246 9.4048 9.4406 9.5067 9.5095 9.6236 9.6412 k = 0.3000 0.1732 0.8836 ( 9978 PWs) bands (ev): -22.3826 -22.3826 -22.3808 -22.3808 -21.9345 -21.9345 -9.0574 -9.0564 -9.0291 -9.0281 -8.6774 -8.6774 -7.3982 -7.3706 -7.2971 -7.2382 -7.1633 -7.1544 -7.1110 -7.1075 -6.9655 -6.9125 -6.7050 -6.6945 -6.4608 -6.4133 -6.3642 -6.3606 -6.2920 -6.2792 -6.2266 -6.2219 -6.1624 -6.1376 -5.8660 -5.8583 1.8847 1.8950 1.9450 1.9546 2.0396 2.0434 2.2346 2.2659 2.4000 2.4204 2.4376 2.5000 2.8038 2.8188 2.9270 3.0020 3.3316 3.3468 3.3822 3.4434 3.5379 3.5592 3.6107 3.6293 3.8470 3.8822 3.8896 3.9502 4.0158 4.1137 4.2692 4.2788 4.3297 4.4065 4.4996 4.5131 8.7451 8.7479 8.8690 8.8709 9.2010 9.2316 9.2973 9.2976 9.3724 9.4010 9.5043 9.5065 9.5945 9.6175 k = 0.3250 0.1876 0.8836 ( 9966 PWs) bands (ev): -22.3826 -22.3826 -22.3808 -22.3808 -21.9345 -21.9345 -9.0566 -9.0555 -9.0304 -9.0292 -8.6775 -8.6775 -7.4015 -7.3753 -7.2937 -7.2334 -7.1699 -7.1535 -7.1113 -7.1004 -6.9638 -6.9060 -6.7024 -6.6914 -6.4666 -6.4155 -6.3671 -6.3546 -6.3105 -6.2798 -6.2268 -6.2242 -6.1628 -6.1382 -5.8584 -5.8510 1.8674 1.8779 1.9337 1.9427 2.0461 2.0524 2.2454 2.2786 2.3733 2.3997 2.4305 2.4985 2.8117 2.8233 2.9434 3.0276 3.3100 3.3273 3.3634 3.4440 3.5485 3.5615 3.6192 3.6325 3.8409 3.8829 3.8984 3.9505 4.0310 4.1232 4.2659 4.2755 4.3604 4.4341 4.5110 4.5229 8.7753 8.7764 8.9120 8.9165 9.1947 9.2260 9.2680 9.2695 9.3392 9.3639 9.5034 9.5053 9.5639 9.5945 k = 0.3500 0.2021 0.8836 ( 9962 PWs) bands (ev): -22.3825 -22.3825 -22.3809 -22.3809 -21.9345 -21.9345 -9.0557 -9.0545 -9.0317 -9.0304 -8.6776 -8.6775 -7.4040 -7.3800 -7.2894 -7.2293 -7.1768 -7.1542 -7.1104 -7.0942 -6.9606 -6.9009 -6.6998 -6.6887 -6.4707 -6.4175 -6.3707 -6.3481 -6.3284 -6.2798 -6.2313 -6.2229 -6.1626 -6.1390 -5.8516 -5.8447 1.8519 1.8619 1.9236 1.9316 2.0547 2.0632 2.2578 2.2928 2.3451 2.3705 2.4274 2.4926 2.8246 2.8315 2.9614 3.0534 3.2839 3.3130 3.3427 3.4402 3.5570 3.5609 3.6280 3.6379 3.8366 3.8828 3.9098 3.9514 4.0458 4.1318 4.2607 4.2660 4.3932 4.4591 4.5217 4.5318 8.8056 8.8065 8.9531 8.9604 9.1929 9.2222 9.2368 9.2423 9.3083 9.3308 9.5006 9.5054 9.5324 9.5751 k = 0.3750 0.2165 0.8836 ( 9982 PWs) bands (ev): -22.3824 -22.3824 -22.3810 -22.3810 -21.9345 -21.9345 -9.0549 -9.0536 -9.0329 -9.0316 -8.6776 -8.6776 -7.4057 -7.3846 -7.2842 -7.2265 -7.1827 -7.1563 -7.1085 -7.0897 -6.9557 -6.8978 -6.6971 -6.6866 -6.4727 -6.4194 -6.3750 -6.3489 -6.3375 -6.2797 -6.2351 -6.2226 -6.1616 -6.1401 -5.8456 -5.8394 1.8386 1.8476 1.9148 1.9217 2.0653 2.0755 2.2716 2.3082 2.3169 2.3407 2.4212 2.4825 2.8406 2.8426 2.9808 3.0786 3.2552 3.3037 3.3203 3.4314 3.5599 3.5633 3.6360 3.6438 3.8350 3.8817 3.9222 3.9531 4.0606 4.1401 4.2536 4.2541 4.4241 4.4805 4.5313 4.5394 8.8353 8.8384 8.9900 9.0007 9.1941 9.2045 9.2060 9.2300 9.2838 9.3036 9.4890 9.4990 9.5113 9.5625 k = 0.4000 0.2309 0.8836 ( 9974 PWs) bands (ev): -22.3823 -22.3823 -22.3811 -22.3811 -21.9345 -21.9345 -9.0540 -9.0528 -9.0339 -9.0327 -8.6777 -8.6777 -7.4066 -7.3890 -7.2782 -7.2261 -7.1866 -7.1594 -7.1058 -7.0872 -6.9492 -6.8969 -6.6945 -6.6852 -6.4723 -6.4215 -6.3795 -6.3640 -6.3307 -6.2803 -6.2378 -6.2234 -6.1601 -6.1416 -5.8404 -5.8353 1.8275 1.8352 1.9075 1.9131 2.0777 2.0891 2.2858 2.2906 2.3117 2.3247 2.4119 2.4691 2.8553 2.8575 3.0017 3.1026 3.2257 3.2966 3.2996 3.4177 3.5599 3.5674 3.6430 3.6489 3.8359 3.8791 3.9344 3.9556 4.0759 4.1479 4.2396 4.2463 4.4517 4.4978 4.5396 4.5458 8.8655 8.8709 9.0194 9.0343 9.1765 9.1773 9.1975 9.2244 9.2727 9.2845 9.4679 9.4700 9.5170 9.5571 k = 0.4250 0.2454 0.8836 ( 9982 PWs) bands (ev): -22.3823 -22.3823 -22.3811 -22.3811 -21.9345 -21.9345 -9.0532 -9.0521 -9.0348 -9.0337 -8.6777 -8.6777 -7.4066 -7.3930 -7.2716 -7.2289 -7.1873 -7.1633 -7.1027 -7.0865 -6.9413 -6.8983 -6.6919 -6.6844 -6.4692 -6.4244 -6.3840 -6.3777 -6.3225 -6.2823 -6.2390 -6.2253 -6.1579 -6.1434 -5.8362 -5.8322 1.8190 1.8250 1.9019 1.9061 2.0913 2.1032 2.2648 2.2845 2.3026 2.3419 2.4000 2.4533 2.8682 2.8728 3.0241 3.1243 3.1971 3.2721 3.3012 3.4003 3.5610 3.5697 3.6486 3.6528 3.8392 3.8751 3.9451 3.9585 4.0919 4.1544 4.2257 4.2377 4.4752 4.5103 4.5464 4.5507 8.8960 8.9040 9.0355 9.0555 9.1528 9.1567 9.1984 9.2134 9.2765 9.2770 9.4376 9.4466 9.5245 9.5556 k = 0.4500 0.2598 0.8836 ( 9986 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0525 -9.0517 -9.0354 -9.0346 -8.6777 -8.6777 -7.4060 -7.3967 -7.2644 -7.2344 -7.1852 -7.1678 -7.0992 -7.0874 -6.9326 -6.9021 -6.6896 -6.6843 -6.4636 -6.4294 -6.3881 -6.3875 -6.3142 -6.2862 -6.2385 -6.2278 -6.1555 -6.1454 -5.8329 -5.8302 1.8132 1.8173 1.8980 1.9009 2.1054 2.1163 2.2442 2.2602 2.3191 2.3592 2.3867 2.4359 2.8797 2.8846 3.0481 3.1382 3.1755 3.2473 3.3089 3.3804 3.5630 3.5702 3.6527 3.6555 3.8442 3.8698 3.9535 3.9611 4.1086 4.1574 4.2144 4.2287 4.4940 4.5178 4.5514 4.5541 8.9267 8.9373 9.0326 9.0548 9.1428 9.1483 9.1960 9.2026 9.2803 9.2887 9.4105 9.4222 9.5328 9.5547 k = 0.4750 0.2742 0.8836 ( 9982 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0519 -9.0515 -9.0357 -9.0353 -8.6778 -8.6777 -7.4046 -7.3999 -7.2568 -7.2414 -7.1816 -7.1724 -7.0957 -7.0895 -6.9237 -6.9078 -6.6876 -6.6848 -6.4558 -6.4372 -6.3923 -6.3913 -6.3060 -6.2917 -6.2366 -6.2308 -6.1529 -6.1477 -5.8307 -5.8293 1.8101 1.8122 1.8959 1.8974 2.1181 2.1253 2.2311 2.2408 2.3358 2.3666 2.3825 2.4177 2.8882 2.8913 3.0736 3.1255 3.1808 3.2232 3.3221 3.3596 3.5654 3.5695 3.6554 3.6568 3.8503 3.8636 3.9592 3.9625 4.1255 4.1531 4.2099 4.2200 4.5079 4.5199 4.5547 4.5560 8.9573 8.9707 9.0137 9.0335 9.1451 9.1482 9.1929 9.1952 9.2913 9.2996 9.3912 9.4005 9.5408 9.5523 k = 0.5000 0.2887 0.8836 ( 9980 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0515 -9.0515 -9.0357 -9.0357 -8.6778 -8.6778 -7.4025 -7.4025 -7.2490 -7.2490 -7.1772 -7.1772 -7.0924 -7.0924 -6.9152 -6.9152 -6.6859 -6.6859 -6.4466 -6.4466 -6.3931 -6.3931 -6.2984 -6.2984 -6.2339 -6.2339 -6.1502 -6.1502 -5.8294 -5.8294 1.8097 1.8097 1.8957 1.8957 2.1260 2.1260 2.2298 2.2298 2.3523 2.3523 2.3992 2.3992 2.8924 2.8924 3.0999 3.0999 3.2004 3.2004 3.3396 3.3396 3.5677 3.5677 3.6568 3.6568 3.8570 3.8570 3.9621 3.9621 4.1413 4.1413 4.2129 4.2129 4.5166 4.5166 4.5562 4.5562 8.9868 8.9868 9.0036 9.0036 9.1482 9.1482 9.1922 9.1922 9.3008 9.3008 9.3874 9.3874 9.5476 9.5476 k = 0.5000 0.2887 0.8836 ( 9980 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0515 -9.0515 -9.0357 -9.0357 -8.6778 -8.6778 -7.4025 -7.4025 -7.2490 -7.2490 -7.1772 -7.1772 -7.0924 -7.0924 -6.9152 -6.9152 -6.6859 -6.6859 -6.4466 -6.4466 -6.3931 -6.3931 -6.2984 -6.2984 -6.2339 -6.2339 -6.1502 -6.1502 -5.8294 -5.8294 1.8097 1.8097 1.8957 1.8957 2.1260 2.1260 2.2298 2.2298 2.3523 2.3523 2.3992 2.3992 2.8924 2.8924 3.0999 3.0999 3.2004 3.2004 3.3396 3.3396 3.5677 3.5677 3.6568 3.6568 3.8570 3.8570 3.9621 3.9621 4.1413 4.1413 4.2129 4.2129 4.5166 4.5166 4.5562 4.5562 8.9868 8.9868 9.0036 9.0036 9.1482 9.1482 9.1922 9.1922 9.3008 9.3008 9.3874 9.3874 9.5476 9.5476 k = 0.4861 0.3127 0.8836 ( 9976 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0515 -9.0515 -9.0357 -9.0357 -8.6778 -8.6778 -7.4026 -7.4026 -7.2486 -7.2486 -7.1773 -7.1773 -7.0929 -7.0929 -6.9146 -6.9146 -6.6860 -6.6860 -6.4465 -6.4465 -6.3934 -6.3934 -6.2982 -6.2982 -6.2341 -6.2341 -6.1502 -6.1502 -5.8293 -5.8293 1.8103 1.8103 1.8962 1.8962 2.1232 2.1232 2.2300 2.2300 2.3500 2.3500 2.4007 2.4007 2.8951 2.8951 3.1007 3.1007 3.2018 3.2018 3.3399 3.3399 3.5655 3.5655 3.6542 3.6542 3.8553 3.8553 3.9659 3.9659 4.1417 4.1417 4.2137 4.2137 4.5164 4.5164 4.5554 4.5554 8.9877 8.9877 9.0055 9.0055 9.1490 9.1490 9.1934 9.1934 9.3023 9.3023 9.3829 9.3829 9.5536 9.5536 k = 0.4722 0.3368 0.8836 ( 9970 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0513 -9.0513 -9.0359 -9.0359 -8.6778 -8.6778 -7.4028 -7.4028 -7.2475 -7.2475 -7.1778 -7.1778 -7.0944 -7.0944 -6.9129 -6.9129 -6.6861 -6.6861 -6.4463 -6.4463 -6.3943 -6.3943 -6.2977 -6.2977 -6.2349 -6.2349 -6.1502 -6.1502 -5.8288 -5.8288 1.8118 1.8118 1.8974 1.8974 2.1152 2.1152 2.2302 2.2302 2.3439 2.3439 2.4044 2.4044 2.9031 2.9031 3.1030 3.1030 3.2059 3.2059 3.3406 3.3406 3.5589 3.5589 3.6464 3.6464 3.8515 3.8515 3.9761 3.9761 4.1431 4.1431 4.2159 4.2159 4.5158 4.5158 4.5531 4.5531 8.9891 8.9891 9.0126 9.0126 9.1514 9.1514 9.1970 9.1970 9.3065 9.3065 9.3717 9.3717 9.5696 9.5696 k = 0.4583 0.3608 0.8836 ( 9972 PWs) bands (ev): -22.3821 -22.3821 -22.3813 -22.3813 -21.9345 -21.9345 -9.0511 -9.0511 -9.0362 -9.0362 -8.6778 -8.6778 -7.4031 -7.4031 -7.2456 -7.2456 -7.1786 -7.1786 -7.0968 -7.0968 -6.9102 -6.9102 -6.6864 -6.6864 -6.4460 -6.4460 -6.3957 -6.3957 -6.2968 -6.2968 -6.2361 -6.2361 -6.1502 -6.1502 -5.8280 -5.8280 1.8143 1.8143 1.8994 1.8994 2.1033 2.1033 2.2299 2.2299 2.3353 2.3353 2.4092 2.4092 2.9159 2.9159 3.1065 3.1065 3.2127 3.2127 3.3418 3.3418 3.5485 3.5485 3.6334 3.6334 3.8478 3.8478 3.9901 3.9901 4.1458 4.1458 4.2193 4.2193 4.5149 4.5149 4.5495 4.5495 8.9894 8.9894 9.0260 9.0260 9.1554 9.1554 9.2024 9.2024 9.3124 9.3124 9.3584 9.3584 9.5919 9.5919 k = 0.4444 0.3849 0.8836 ( 9968 PWs) bands (ev): -22.3821 -22.3821 -22.3813 -22.3813 -21.9345 -21.9345 -9.0508 -9.0508 -9.0366 -9.0366 -8.6778 -8.6778 -7.4035 -7.4035 -7.2430 -7.2430 -7.1797 -7.1797 -7.0999 -7.0999 -6.9066 -6.9066 -6.6868 -6.6868 -6.4455 -6.4455 -6.3977 -6.3977 -6.2957 -6.2957 -6.2376 -6.2376 -6.1502 -6.1502 -5.8270 -5.8270 1.8177 1.8177 1.9020 1.9020 2.0889 2.0889 2.2285 2.2285 2.3253 2.3253 2.4139 2.4139 2.9329 2.9329 3.1111 3.1111 3.2219 3.2219 3.3436 3.3436 3.5349 3.5349 3.6155 3.6155 3.8454 3.8454 4.0056 4.0056 4.1500 4.1500 4.2233 4.2233 4.5137 4.5137 4.5447 4.5447 8.9886 8.9886 9.0453 9.0453 9.1610 9.1610 9.2089 9.2089 9.3154 9.3154 9.3499 9.3499 9.6173 9.6173 k = 0.4306 0.4090 0.8836 ( 9988 PWs) bands (ev): -22.3821 -22.3821 -22.3813 -22.3813 -21.9345 -21.9345 -9.0503 -9.0503 -9.0371 -9.0371 -8.6778 -8.6778 -7.4040 -7.4040 -7.2399 -7.2399 -7.1813 -7.1813 -7.1033 -7.1033 -6.9026 -6.9026 -6.6872 -6.6872 -6.4446 -6.4446 -6.4002 -6.4002 -6.2946 -6.2946 -6.2393 -6.2393 -6.1502 -6.1502 -5.8258 -5.8258 1.8218 1.8218 1.9048 1.9048 2.0736 2.0736 2.2259 2.2259 2.3148 2.3148 2.4182 2.4182 2.9534 2.9534 3.1163 3.1163 3.2335 3.2335 3.3458 3.3458 3.5186 3.5186 3.5937 3.5937 3.8445 3.8445 4.0214 4.0214 4.1557 4.1557 4.2273 4.2273 4.5124 4.5124 4.5393 4.5393 8.9870 8.9870 9.0696 9.0696 9.1680 9.1680 9.2158 9.2158 9.3095 9.3095 9.3534 9.3534 9.6420 9.6420 k = 0.4167 0.4330 0.8836 ( 9988 PWs) bands (ev): -22.3821 -22.3821 -22.3813 -22.3813 -21.9345 -21.9345 -9.0498 -9.0498 -9.0377 -9.0377 -8.6778 -8.6778 -7.4046 -7.4046 -7.2362 -7.2362 -7.1832 -7.1832 -7.1069 -7.1069 -6.8983 -6.8983 -6.6877 -6.6877 -6.4435 -6.4435 -6.4032 -6.4032 -6.2935 -6.2935 -6.2410 -6.2410 -6.1502 -6.1502 -5.8244 -5.8244 1.8264 1.8264 1.9077 1.9077 2.0584 2.0584 2.2222 2.2222 2.3045 2.3045 2.4215 2.4215 2.9764 2.9764 3.1216 3.1216 3.2472 3.2472 3.3485 3.3485 3.5002 3.5002 3.5692 3.5692 3.8446 3.8446 4.0367 4.0367 4.1628 4.1628 4.2307 4.2307 4.5108 4.5108 4.5338 4.5338 8.9849 8.9849 9.0976 9.0976 9.1765 9.1765 9.2219 9.2219 9.2996 9.2996 9.3633 9.3633 9.6530 9.6530 k = 0.4028 0.4571 0.8836 ( 9992 PWs) bands (ev): -22.3820 -22.3820 -22.3814 -22.3814 -21.9345 -21.9345 -9.0492 -9.0492 -9.0384 -9.0384 -8.6778 -8.6778 -7.4051 -7.4051 -7.2322 -7.2322 -7.1856 -7.1856 -7.1102 -7.1102 -6.8941 -6.8941 -6.6883 -6.6883 -6.4420 -6.4420 -6.4065 -6.4065 -6.2926 -6.2926 -6.2425 -6.2425 -6.1503 -6.1503 -5.8231 -5.8231 1.8311 1.8311 1.9102 1.9102 2.0444 2.0444 2.2175 2.2175 2.2950 2.2950 2.4239 2.4239 3.0009 3.0009 3.1265 3.1265 3.2625 3.2625 3.3516 3.3516 3.4801 3.4801 3.5435 3.5435 3.8453 3.8453 4.0512 4.0512 4.1708 4.1708 4.2328 4.2328 4.5090 4.5090 4.5288 4.5288 8.9825 8.9825 9.1278 9.1278 9.1861 9.1861 9.2262 9.2262 9.2918 9.2918 9.3724 9.3724 9.6483 9.6483 k = 0.3889 0.4811 0.8836 ( 10004 PWs) bands (ev): -22.3820 -22.3820 -22.3814 -22.3814 -21.9345 -21.9345 -9.0486 -9.0486 -9.0392 -9.0392 -8.6778 -8.6778 -7.4056 -7.4056 -7.2279 -7.2279 -7.1884 -7.1884 -7.1132 -7.1132 -6.8902 -6.8902 -6.6888 -6.6888 -6.4401 -6.4401 -6.4101 -6.4101 -6.2920 -6.2920 -6.2438 -6.2438 -6.1503 -6.1503 -5.8218 -5.8218 1.8357 1.8357 1.9122 1.9122 2.0326 2.0326 2.2125 2.2125 2.2869 2.2869 2.4253 2.4253 3.0261 3.0261 3.1302 3.1302 3.2792 3.2792 3.3550 3.3550 3.4588 3.4588 3.5183 3.5183 3.8460 3.8460 4.0648 4.0648 4.1791 4.1791 4.2333 4.2333 4.5067 4.5067 4.5251 4.5251 8.9802 8.9802 9.1579 9.1579 9.1966 9.1966 9.2281 9.2281 9.2882 9.2882 9.3768 9.3768 9.6506 9.6506 k = 0.3750 0.5052 0.8836 ( 10020 PWs) bands (ev): -22.3819 -22.3819 -22.3815 -22.3815 -21.9345 -21.9345 -9.0479 -9.0479 -9.0399 -9.0399 -8.6778 -8.6778 -7.4061 -7.4061 -7.2234 -7.2234 -7.1916 -7.1916 -7.1157 -7.1157 -6.8868 -6.8868 -6.6893 -6.6893 -6.4379 -6.4379 -6.4139 -6.4139 -6.2916 -6.2916 -6.2447 -6.2447 -6.1504 -6.1504 -5.8206 -5.8206 1.8396 1.8396 1.9133 1.9133 2.0236 2.0236 2.2076 2.2076 2.2804 2.2804 2.4258 2.4258 3.0509 3.0509 3.1318 3.1318 3.2965 3.2965 3.3583 3.3583 3.4369 3.4369 3.4956 3.4956 3.8466 3.8466 4.0770 4.0770 4.1867 4.1867 4.2321 4.2321 4.5041 4.5041 4.5232 4.5232 8.9781 8.9781 9.1841 9.1841 9.2077 9.2077 9.2290 9.2290 9.2885 9.2885 9.3759 9.3759 9.6520 9.6520 k = 0.3611 0.5292 0.8836 ( 10010 PWs) bands (ev): -22.3818 -22.3818 -22.3816 -22.3816 -21.9345 -21.9345 -9.0473 -9.0473 -9.0406 -9.0406 -8.6778 -8.6778 -7.4064 -7.4064 -7.2191 -7.2191 -7.1951 -7.1951 -7.1174 -7.1174 -6.8842 -6.8842 -6.6897 -6.6897 -6.4354 -6.4354 -6.4177 -6.4177 -6.2915 -6.2915 -6.2452 -6.2452 -6.1505 -6.1505 -5.8197 -5.8197 1.8424 1.8424 1.9138 1.9138 2.0175 2.0175 2.2033 2.2033 2.2759 2.2759 2.4257 2.4257 3.0741 3.0741 3.1300 3.1300 3.3135 3.3135 3.3610 3.3610 3.4158 3.4158 3.4775 3.4775 3.8469 3.8469 4.0873 4.0873 4.1929 4.1929 4.2297 4.2297 4.5017 4.5017 4.5227 4.5227 8.9764 8.9764 9.2020 9.2020 9.2157 9.2157 9.2344 9.2344 9.2909 9.2909 9.3717 9.3717 9.6313 9.6313 k = 0.3472 0.5533 0.8836 ( 10014 PWs) bands (ev): -22.3818 -22.3818 -22.3816 -22.3816 -21.9345 -21.9345 -9.0467 -9.0467 -9.0412 -9.0412 -8.6778 -8.6778 -7.4067 -7.4067 -7.2154 -7.2154 -7.1982 -7.1982 -7.1184 -7.1184 -6.8825 -6.8825 -6.6899 -6.6899 -6.4329 -6.4329 -6.4210 -6.4210 -6.2915 -6.2915 -6.2455 -6.2455 -6.1505 -6.1505 -5.8191 -5.8191 1.8440 1.8440 1.9138 1.9138 2.0144 2.0144 2.2003 2.2003 2.2733 2.2733 2.4254 2.4254 3.0948 3.0948 3.1238 3.1238 3.3282 3.3282 3.3620 3.3620 3.3987 3.3987 3.4659 3.4659 3.8471 3.8471 4.0946 4.0946 4.1969 4.1969 4.2272 4.2272 4.5001 4.5001 4.5228 4.5228 8.9754 8.9754 9.2121 9.2121 9.2172 9.2172 9.2439 9.2439 9.2934 9.2934 9.3676 9.3676 9.6135 9.6135 k = 0.3333 0.5774 0.8836 ( 10026 PWs) bands (ev): -22.3817 -22.3817 -22.3817 -22.3817 -21.9345 -21.9345 -9.0465 -9.0465 -9.0414 -9.0414 -8.6778 -8.6778 -7.4067 -7.4067 -7.2138 -7.2138 -7.1998 -7.1998 -7.1187 -7.1187 -6.8819 -6.8819 -6.6900 -6.6900 -6.4316 -6.4316 -6.4226 -6.4226 -6.2915 -6.2915 -6.2456 -6.2456 -6.1505 -6.1505 -5.8189 -5.8189 1.8445 1.8445 1.9138 1.9138 2.0135 2.0135 2.1992 2.1992 2.2725 2.2725 2.4252 2.4252 3.1098 3.1098 3.1141 3.1141 3.3349 3.3349 3.3613 3.3613 3.3919 3.3919 3.4620 3.4620 3.8471 3.8471 4.0973 4.0973 4.1981 4.1981 4.2261 4.2261 4.4996 4.4996 4.5230 4.5230 8.9751 8.9751 9.2160 9.2160 9.2171 9.2171 9.2475 9.2475 9.2944 9.2944 9.3659 9.3659 9.6068 9.6068 k = 0.3333 0.5774 0.8836 ( 10026 PWs) bands (ev): -22.3817 -22.3817 -22.3817 -22.3817 -21.9345 -21.9345 -9.0465 -9.0465 -9.0414 -9.0414 -8.6778 -8.6778 -7.4067 -7.4067 -7.2138 -7.2138 -7.1998 -7.1998 -7.1187 -7.1187 -6.8819 -6.8819 -6.6900 -6.6900 -6.4316 -6.4316 -6.4226 -6.4226 -6.2915 -6.2915 -6.2456 -6.2456 -6.1505 -6.1505 -5.8189 -5.8189 1.8445 1.8445 1.9138 1.9138 2.0135 2.0135 2.1992 2.1992 2.2725 2.2725 2.4252 2.4252 3.1098 3.1098 3.1141 3.1141 3.3349 3.3349 3.3613 3.3613 3.3919 3.3919 3.4620 3.4620 3.8471 3.8471 4.0973 4.0973 4.1981 4.1981 4.2261 4.2261 4.4996 4.4996 4.5230 4.5230 8.9751 8.9751 9.2160 9.2160 9.2171 9.2171 9.2475 9.2475 9.2944 9.2944 9.3659 9.3659 9.6068 9.6068 k = 0.3188 0.5522 0.8836 ( 10018 PWs) bands (ev): -22.3818 -22.3818 -22.3816 -22.3816 -21.9345 -21.9345 -9.0468 -9.0468 -9.0411 -9.0411 -8.6778 -8.6778 -7.4066 -7.4066 -7.2157 -7.2157 -7.1980 -7.1980 -7.1184 -7.1184 -6.8826 -6.8826 -6.6899 -6.6899 -6.4330 -6.4330 -6.4208 -6.4208 -6.2915 -6.2915 -6.2455 -6.2455 -6.1505 -6.1505 -5.8191 -5.8191 1.8442 1.8442 1.9139 1.9139 2.0141 2.0141 2.2007 2.2007 2.2732 2.2732 2.4256 2.4256 3.0934 3.0934 3.1243 3.1243 3.3290 3.3290 3.3626 3.3626 3.3982 3.3982 3.4658 3.4658 3.8471 3.8471 4.0939 4.0939 4.1972 4.1972 4.2273 4.2273 4.5001 4.5001 4.5226 4.5226 8.9754 8.9754 9.2088 9.2088 9.2178 9.2178 9.2459 9.2459 9.2937 9.2937 9.3679 9.3679 9.6137 9.6137 k = 0.3043 0.5271 0.8836 ( 10014 PWs) bands (ev): -22.3819 -22.3819 -22.3815 -22.3815 -21.9345 -21.9345 -9.0475 -9.0475 -9.0404 -9.0404 -8.6778 -8.6778 -7.4063 -7.4063 -7.2199 -7.2199 -7.1941 -7.1941 -7.1176 -7.1176 -6.8845 -6.8845 -6.6898 -6.6898 -6.4355 -6.4355 -6.4171 -6.4171 -6.2911 -6.2911 -6.2455 -6.2455 -6.1504 -6.1504 -5.8200 -5.8200 1.8438 1.8438 1.9143 1.9143 2.0154 2.0154 2.2054 2.2054 2.2748 2.2748 2.4272 2.4272 3.0693 3.0693 3.1292 3.1292 3.3199 3.3199 3.3647 3.3647 3.4123 3.4123 3.4760 3.4760 3.8471 3.8471 4.0836 4.0836 4.1949 4.1949 4.2310 4.2310 4.5010 4.5010 4.5211 4.5211 8.9759 8.9759 9.1851 9.1851 9.2195 9.2195 9.2455 9.2455 9.2938 9.2938 9.3736 9.3736 9.6266 9.6266 k = 0.2899 0.5020 0.8836 ( 10010 PWs) bands (ev): -22.3819 -22.3819 -22.3815 -22.3815 -21.9345 -21.9345 -9.0484 -9.0484 -9.0394 -9.0394 -8.6777 -8.6777 -7.4057 -7.4057 -7.2250 -7.2250 -7.1895 -7.1895 -7.1166 -7.1166 -6.8876 -6.8876 -6.6897 -6.6897 -6.4379 -6.4379 -6.4128 -6.4128 -6.2902 -6.2902 -6.2454 -6.2454 -6.1503 -6.1503 -5.8215 -5.8215 1.8441 1.8441 1.9150 1.9150 2.0166 2.0166 2.2136 2.2136 2.2766 2.2766 2.4306 2.4306 3.0405 3.0405 3.1261 3.1261 3.3146 3.3146 3.3676 3.3676 3.4290 3.4290 3.4901 3.4901 3.8471 3.8471 4.0674 4.0674 4.1909 4.1909 4.2369 4.2369 4.5011 4.5011 4.5187 4.5187 8.9760 8.9760 9.1486 9.1486 9.2224 9.2224 9.2469 9.2469 9.2968 9.2968 9.3820 9.3820 9.5862 9.5862 k = 0.2754 0.4769 0.8836 ( 10012 PWs) bands (ev): -22.3820 -22.3820 -22.3814 -22.3814 -21.9345 -21.9345 -9.0494 -9.0494 -9.0382 -9.0382 -8.6777 -8.6777 -7.4048 -7.4048 -7.2304 -7.2304 -7.1846 -7.1846 -7.1155 -7.1155 -6.8918 -6.8918 -6.6897 -6.6897 -6.4397 -6.4397 -6.4081 -6.4081 -6.2888 -6.2888 -6.2455 -6.2455 -6.1502 -6.1502 -5.8237 -5.8237 1.8457 1.8457 1.9163 1.9163 2.0170 2.0170 2.2252 2.2252 2.2784 2.2784 2.4359 2.4359 3.0087 3.0087 3.1156 3.1156 3.3144 3.3144 3.3719 3.3719 3.4461 3.4461 3.5064 3.5064 3.8472 3.8472 4.0471 4.0471 4.1850 4.1850 4.2446 4.2446 4.4977 4.4977 4.5170 4.5170 8.9746 8.9746 9.1050 9.1050 9.2269 9.2269 9.2492 9.2492 9.3032 9.3032 9.3920 9.3920 9.5301 9.5301 k = 0.2609 0.4518 0.8836 ( 10012 PWs) bands (ev): -22.3821 -22.3821 -22.3813 -22.3813 -21.9345 -21.9345 -9.0505 -9.0505 -9.0369 -9.0369 -8.6777 -8.6777 -7.4036 -7.4036 -7.2358 -7.2358 -7.1796 -7.1796 -7.1145 -7.1145 -6.8968 -6.8968 -6.6900 -6.6900 -6.4406 -6.4406 -6.4033 -6.4033 -6.2867 -6.2867 -6.2457 -6.2457 -6.1500 -6.1500 -5.8266 -5.8266 1.8488 1.8488 1.9184 1.9184 2.0167 2.0167 2.2385 2.2385 2.2811 2.2811 2.4431 2.4431 2.9754 2.9754 3.0993 3.0993 3.3183 3.3183 3.3775 3.3775 3.4629 3.4629 3.5231 3.5231 3.8476 3.8476 4.0243 4.0243 4.1770 4.1770 4.2531 4.2531 4.4889 4.4889 4.5168 4.5168 8.9702 8.9702 9.0580 9.0580 9.2327 9.2327 9.2540 9.2540 9.3112 9.3112 9.4028 9.4028 9.4826 9.4826 k = 0.2464 0.4267 0.8836 ( 9996 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0516 -9.0516 -9.0356 -9.0356 -8.6777 -8.6777 -7.4021 -7.4021 -7.2411 -7.2411 -7.1746 -7.1746 -7.1139 -7.1139 -6.9026 -6.9026 -6.6907 -6.6907 -6.4407 -6.4407 -6.3986 -6.3986 -6.2838 -6.2838 -6.2460 -6.2460 -6.1498 -6.1498 -5.8303 -5.8303 1.8539 1.8539 1.9216 1.9216 2.0156 2.0156 2.2495 2.2495 2.2881 2.2881 2.4518 2.4518 2.9422 2.9422 3.0794 3.0794 3.3249 3.3249 3.3843 3.3843 3.4788 3.4788 3.5391 3.5391 3.8484 3.8484 4.0005 4.0005 4.1673 4.1673 4.2619 4.2619 4.4752 4.4752 4.5169 4.5169 8.9612 8.9612 9.0099 9.0099 9.2396 9.2396 9.2632 9.2632 9.3166 9.3166 9.4136 9.4136 9.4504 9.4504 k = 0.2319 0.4016 0.8836 ( 9988 PWs) bands (ev): -22.3823 -22.3823 -22.3811 -22.3811 -21.9345 -21.9345 -9.0527 -9.0527 -9.0342 -9.0342 -8.6776 -8.6776 -7.4001 -7.4001 -7.2463 -7.2463 -7.1696 -7.1696 -7.1138 -7.1138 -6.9088 -6.9088 -6.6918 -6.6918 -6.4400 -6.4400 -6.3940 -6.3940 -6.2800 -6.2800 -6.2463 -6.2463 -6.1495 -6.1495 -5.8348 -5.8348 1.8610 1.8610 1.9259 1.9259 2.0141 2.0141 2.2533 2.2533 2.3038 2.3038 2.4610 2.4610 2.9103 2.9103 3.0574 3.0574 3.3332 3.3332 3.3917 3.3917 3.4934 3.4934 3.5533 3.5533 3.8500 3.8500 3.9768 3.9768 4.1561 4.1561 4.2701 4.2701 4.4575 4.4575 4.5162 4.5162 8.9457 8.9457 8.9629 8.9629 9.2481 9.2481 9.2766 9.2766 9.3142 9.3142 9.4228 9.4228 9.4414 9.4414 k = 0.2174 0.3765 0.8836 ( 9970 PWs) bands (ev): -22.3824 -22.3824 -22.3810 -22.3810 -21.9345 -21.9345 -9.0538 -9.0538 -9.0328 -9.0328 -8.6776 -8.6776 -7.3977 -7.3977 -7.2513 -7.2513 -7.1648 -7.1648 -7.1142 -7.1142 -6.9153 -6.9153 -6.6934 -6.6934 -6.4385 -6.4385 -6.3896 -6.3896 -6.2752 -6.2752 -6.2466 -6.2466 -6.1493 -6.1493 -5.8401 -5.8401 1.8702 1.8702 1.9315 1.9315 2.0125 2.0125 2.2514 2.2514 2.3262 2.3262 2.4696 2.4696 2.8811 2.8811 3.0345 3.0345 3.3426 3.3426 3.3994 3.3994 3.5061 3.5061 3.5650 3.5650 3.8528 3.8528 3.9543 3.9543 4.1436 4.1436 4.2775 4.2775 4.4360 4.4360 4.5140 4.5140 8.9124 8.9124 8.9286 8.9286 9.2589 9.2589 9.2860 9.2860 9.3124 9.3124 9.4335 9.4335 9.4522 9.4522 k = 0.2029 0.3514 0.8836 ( 9974 PWs) bands (ev): -22.3825 -22.3825 -22.3809 -22.3809 -21.9345 -21.9345 -9.0548 -9.0548 -9.0315 -9.0315 -8.6775 -8.6775 -7.3948 -7.3948 -7.2560 -7.2560 -7.1604 -7.1604 -7.1152 -7.1152 -6.9218 -6.9218 -6.6953 -6.6953 -6.4364 -6.4364 -6.3855 -6.3855 -6.2696 -6.2696 -6.2468 -6.2468 -6.1491 -6.1491 -5.8463 -5.8463 1.8813 1.8813 1.9384 1.9384 2.0112 2.0112 2.2469 2.2469 2.3514 2.3514 2.4766 2.4766 2.8561 2.8561 3.0115 3.0115 3.3529 3.3529 3.4066 3.4066 3.5164 3.5164 3.5739 3.5739 3.8572 3.8572 3.9337 3.9337 4.1298 4.1298 4.2834 4.2834 4.4115 4.4115 4.5102 4.5102 8.8679 8.8679 8.9017 8.9017 9.2668 9.2668 9.2840 9.2840 9.3301 9.3301 9.4483 9.4483 9.4728 9.4728 k = 0.1884 0.3263 0.8836 ( 9958 PWs) bands (ev): -22.3825 -22.3825 -22.3808 -22.3808 -21.9345 -21.9345 -9.0558 -9.0558 -9.0301 -9.0301 -8.6775 -8.6775 -7.3915 -7.3915 -7.2604 -7.2604 -7.1569 -7.1569 -7.1164 -7.1164 -6.9282 -6.9282 -6.6976 -6.6976 -6.4338 -6.4338 -6.3818 -6.3818 -6.2635 -6.2635 -6.2465 -6.2465 -6.1488 -6.1488 -5.8532 -5.8532 1.8942 1.8942 1.9464 1.9464 2.0105 2.0105 2.2414 2.2414 2.3771 2.3771 2.4813 2.4813 2.8365 2.8365 2.9889 2.9889 3.3640 3.3640 3.4128 3.4128 3.5234 3.5234 3.5803 3.5803 3.8632 3.8632 3.9158 3.9158 4.1146 4.1146 4.2875 4.2875 4.3848 4.3848 4.5047 4.5047 8.8248 8.8248 8.8710 8.8710 9.2608 9.2608 9.2968 9.2968 9.3558 9.3558 9.4640 9.4640 9.5007 9.5007 k = 0.1739 0.3012 0.8836 ( 9976 PWs) bands (ev): -22.3826 -22.3826 -22.3808 -22.3808 -21.9345 -21.9345 -9.0568 -9.0568 -9.0288 -9.0288 -8.6774 -8.6774 -7.3877 -7.3877 -7.2645 -7.2645 -7.1550 -7.1550 -7.1172 -7.1172 -6.9342 -6.9342 -6.7002 -6.7002 -6.4309 -6.4309 -6.3785 -6.3785 -6.2582 -6.2582 -6.2443 -6.2443 -6.1485 -6.1485 -5.8610 -5.8610 1.9086 1.9086 1.9555 1.9555 2.0106 2.0106 2.2356 2.2356 2.4006 2.4006 2.4839 2.4839 2.8235 2.8235 2.9671 2.9671 3.3760 3.3760 3.4172 3.4172 3.5260 3.5260 3.5857 3.5857 3.8710 3.8710 3.9012 3.9012 4.0978 4.0978 4.2887 4.2887 4.3575 4.3575 4.4978 4.4978 8.7840 8.7840 8.8372 8.8372 9.2555 9.2555 9.3153 9.3153 9.3835 9.3835 9.4807 9.4807 9.5337 9.5337 k = 0.1594 0.2761 0.8836 ( 9982 PWs) bands (ev): -22.3827 -22.3827 -22.3807 -22.3807 -21.9345 -21.9345 -9.0577 -9.0577 -9.0275 -9.0275 -8.6773 -8.6773 -7.3834 -7.3834 -7.2683 -7.2683 -7.1554 -7.1554 -7.1168 -7.1168 -6.9400 -6.9400 -6.7029 -6.7029 -6.4278 -6.4278 -6.3755 -6.3755 -6.2555 -6.2555 -6.2384 -6.2384 -6.1482 -6.1482 -5.8694 -5.8694 1.9242 1.9242 1.9651 1.9651 2.0119 2.0119 2.2303 2.2303 2.4176 2.4176 2.4873 2.4873 2.8176 2.8176 2.9467 2.9467 3.3887 3.3887 3.4196 3.4196 3.5233 3.5233 3.5917 3.5917 3.8796 3.8796 3.8905 3.8905 4.0789 4.0789 4.2848 4.2848 4.3326 4.3326 4.4898 4.4898 8.7459 8.7459 8.8016 8.8016 9.2559 9.2559 9.3346 9.3346 9.4102 9.4102 9.4994 9.4994 9.5699 9.5699 k = 0.1449 0.2510 0.8836 ( 9982 PWs) bands (ev): -22.3828 -22.3828 -22.3806 -22.3806 -21.9345 -21.9345 -9.0585 -9.0585 -9.0263 -9.0263 -8.6772 -8.6772 -7.3785 -7.3785 -7.2717 -7.2717 -7.1586 -7.1586 -7.1147 -7.1147 -6.9453 -6.9453 -6.7058 -6.7058 -6.4247 -6.4247 -6.3730 -6.3730 -6.2551 -6.2551 -6.2294 -6.2294 -6.1479 -6.1479 -5.8786 -5.8786 1.9407 1.9407 1.9750 1.9750 2.0146 2.0146 2.2258 2.2258 2.4229 2.4229 2.4959 2.4959 2.8186 2.8186 2.9280 2.9280 3.4008 3.4008 3.4208 3.4208 3.5154 3.5154 3.5995 3.5995 3.8806 3.8806 3.8914 3.8914 4.0574 4.0574 4.2719 4.2719 4.3151 4.3151 4.4812 4.4812 8.7105 8.7105 8.7654 8.7654 9.2627 9.2627 9.3531 9.3531 9.4335 9.4335 9.5206 9.5206 9.6080 9.6080 k = 0.1304 0.2259 0.8836 ( 9966 PWs) bands (ev): -22.3828 -22.3828 -22.3806 -22.3806 -21.9345 -21.9345 -9.0592 -9.0592 -9.0252 -9.0252 -8.6771 -8.6771 -7.3732 -7.3732 -7.2747 -7.2747 -7.1642 -7.1642 -7.1113 -7.1113 -6.9501 -6.9501 -6.7086 -6.7086 -6.4215 -6.4215 -6.3709 -6.3709 -6.2555 -6.2555 -6.2187 -6.2187 -6.1475 -6.1475 -5.8883 -5.8883 1.9572 1.9572 1.9848 1.9848 2.0187 2.0187 2.2227 2.2227 2.4168 2.4168 2.5092 2.5092 2.8257 2.8257 2.9115 2.9115 3.4063 3.4063 3.4268 3.4268 3.5035 3.5035 3.6093 3.6093 3.8759 3.8759 3.9006 3.9006 4.0327 4.0327 4.2513 4.2513 4.3051 4.3051 4.4725 4.4725 8.6781 8.6781 8.7298 8.7298 9.2756 9.2756 9.3699 9.3699 9.4523 9.4523 9.5428 9.5428 9.6472 9.6472 k = 0.1159 0.2008 0.8836 ( 9970 PWs) bands (ev): -22.3829 -22.3829 -22.3805 -22.3805 -21.9345 -21.9345 -9.0599 -9.0599 -9.0241 -9.0241 -8.6770 -8.6770 -7.3675 -7.3675 -7.2774 -7.2774 -7.1716 -7.1716 -7.1071 -7.1071 -6.9545 -6.9545 -6.7113 -6.7113 -6.4184 -6.4184 -6.3692 -6.3692 -6.2562 -6.2562 -6.2071 -6.2071 -6.1471 -6.1471 -5.8985 -5.8985 1.9732 1.9732 1.9941 1.9941 2.0242 2.0242 2.2213 2.2213 2.4043 2.4043 2.5226 2.5226 2.8376 2.8376 2.8981 2.8981 3.4019 3.4019 3.4409 3.4409 3.4895 3.4895 3.6208 3.6208 3.8729 3.8729 3.9090 3.9090 4.0049 4.0049 4.2299 4.2299 4.2970 4.2970 4.4644 4.4644 8.6487 8.6487 8.6956 8.6956 9.2942 9.2942 9.3844 9.3844 9.4671 9.4671 9.5625 9.5625 9.6864 9.6864 k = 0.1014 0.1757 0.8836 ( 9964 PWs) bands (ev): -22.3830 -22.3830 -22.3804 -22.3804 -21.9345 -21.9345 -9.0605 -9.0605 -9.0232 -9.0232 -8.6769 -8.6769 -7.3614 -7.3614 -7.2797 -7.2797 -7.1803 -7.1803 -7.1024 -7.1024 -6.9585 -6.9585 -6.7139 -6.7139 -6.4155 -6.4155 -6.3679 -6.3679 -6.2570 -6.2570 -6.1950 -6.1950 -6.1466 -6.1466 -5.9090 -5.9090 1.9875 1.9875 2.0036 2.0036 2.0308 2.0308 2.2219 2.2219 2.3892 2.3892 2.5329 2.5329 2.8511 2.8511 2.8898 2.8898 3.3933 3.3933 3.4552 3.4552 3.4775 3.4775 3.6336 3.6336 3.8711 3.8711 3.9139 3.9139 3.9756 3.9756 4.2117 4.2117 4.2879 4.2879 4.4572 4.4572 8.6223 8.6223 8.6637 8.6637 9.3178 9.3178 9.3964 9.3964 9.4788 9.4788 9.5761 9.5761 9.7246 9.7246 k = 0.0870 0.1506 0.8836 ( 9976 PWs) bands (ev): -22.3830 -22.3830 -22.3804 -22.3804 -21.9345 -21.9345 -9.0610 -9.0610 -9.0223 -9.0223 -8.6768 -8.6768 -7.3551 -7.3551 -7.2815 -7.2815 -7.1896 -7.1896 -7.0978 -7.0978 -6.9621 -6.9621 -6.7163 -6.7163 -6.4128 -6.4128 -6.3670 -6.3670 -6.2579 -6.2579 -6.1830 -6.1830 -6.1460 -6.1460 -5.9196 -5.9196 1.9991 1.9991 2.0134 2.0134 2.0377 2.0377 2.2245 2.2245 2.3739 2.3739 2.5387 2.5387 2.8587 2.8587 2.8930 2.8930 3.3827 3.3827 3.4509 3.4509 3.4861 3.4861 3.6472 3.6472 3.8687 3.8687 3.9087 3.9087 3.9526 3.9526 4.1979 4.1979 4.2773 4.2773 4.4513 4.4513 8.5988 8.5988 8.6351 8.6351 9.3452 9.3452 9.4061 9.4061 9.4885 9.4885 9.5823 9.5823 9.7607 9.7607 k = 0.0725 0.1255 0.8836 ( 9962 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0615 -9.0615 -9.0216 -9.0216 -8.6767 -8.6767 -7.3487 -7.3487 -7.2829 -7.2829 -7.1991 -7.1991 -7.0934 -7.0934 -6.9652 -6.9652 -6.7185 -6.7185 -6.4104 -6.4104 -6.3663 -6.3663 -6.2588 -6.2588 -6.1715 -6.1715 -6.1450 -6.1450 -5.9300 -5.9300 2.0083 2.0083 2.0228 2.0228 2.0447 2.0447 2.2288 2.2288 2.3599 2.3599 2.5402 2.5402 2.8574 2.8574 2.9089 2.9089 3.3713 3.3713 3.4366 3.4366 3.5077 3.5077 3.6609 3.6609 3.8589 3.8589 3.8911 3.8911 3.9453 3.9453 4.1890 4.1890 4.2654 4.2654 4.4466 4.4466 8.5784 8.5784 8.6104 8.6104 9.3750 9.3750 9.4139 9.4139 9.4968 9.4968 9.5829 9.5829 9.7935 9.7935 k = 0.0580 0.1004 0.8836 ( 9954 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0618 -9.0618 -9.0210 -9.0210 -8.6767 -8.6767 -7.3426 -7.3426 -7.2837 -7.2837 -7.2083 -7.2083 -7.0895 -7.0895 -6.9679 -6.9679 -6.7203 -6.7203 -6.4082 -6.4082 -6.3659 -6.3659 -6.2596 -6.2596 -6.1616 -6.1616 -6.1432 -6.1432 -5.9399 -5.9399 2.0160 2.0160 2.0301 2.0301 2.0513 2.0513 2.2339 2.2339 2.3484 2.3484 2.5381 2.5381 2.8542 2.8542 2.9285 2.9285 3.3601 3.3601 3.4226 3.4226 3.5327 3.5327 3.6740 3.6740 3.8295 3.8295 3.8829 3.8829 3.9448 3.9448 4.1846 4.1846 4.2526 4.2526 4.4432 4.4432 8.5609 8.5609 8.5901 8.5901 9.4041 9.4041 9.4213 9.4213 9.5044 9.5044 9.5805 9.5805 9.8205 9.8205 k = 0.0435 0.0753 0.8836 ( 9936 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0621 -9.0621 -9.0205 -9.0205 -8.6766 -8.6766 -7.3370 -7.3370 -7.2840 -7.2840 -7.2168 -7.2168 -7.0863 -7.0863 -6.9701 -6.9701 -6.7217 -6.7217 -6.4064 -6.4064 -6.3657 -6.3657 -6.2602 -6.2602 -6.1548 -6.1548 -6.1398 -6.1398 -5.9486 -5.9486 2.0228 2.0228 2.0349 2.0349 2.0571 2.0571 2.2390 2.2390 2.3399 2.3399 2.5339 2.5339 2.8516 2.8516 2.9472 2.9472 3.3502 3.3502 3.4106 3.4106 3.5604 3.5604 3.6856 3.6856 3.7907 3.7907 3.8814 3.8814 3.9449 3.9449 4.1842 4.1842 4.2397 4.2397 4.4408 4.4408 8.5467 8.5467 8.5746 8.5746 9.4195 9.4195 9.4386 9.4386 9.5124 9.5124 9.5771 9.5771 9.8336 9.8336 k = 0.0290 0.0502 0.8836 ( 9932 PWs) bands (ev): -22.3831 -22.3831 -22.3803 -22.3803 -21.9345 -21.9345 -9.0623 -9.0623 -9.0202 -9.0202 -8.6766 -8.6766 -7.3325 -7.3325 -7.2839 -7.2839 -7.2238 -7.2238 -7.0838 -7.0838 -6.9717 -6.9717 -6.7228 -6.7228 -6.4051 -6.4051 -6.3656 -6.3656 -6.2607 -6.2607 -6.1515 -6.1515 -6.1350 -6.1350 -5.9556 -5.9556 2.0285 2.0285 2.0375 2.0375 2.0613 2.0613 2.2431 2.2431 2.3347 2.3347 2.5291 2.5291 2.8500 2.8500 2.9623 2.9623 3.3424 3.3424 3.4013 3.4013 3.5903 3.5903 3.6947 3.6947 3.7507 3.7507 3.8811 3.8811 3.9448 3.9448 4.1870 4.1870 4.2274 4.2274 4.4392 4.4392 8.5360 8.5360 8.5637 8.5637 9.4236 9.4236 9.4599 9.4599 9.5217 9.5217 9.5740 9.5740 9.8192 9.8192 k = 0.0145 0.0251 0.8836 ( 9916 PWs) bands (ev): -22.3831 -22.3831 -22.3802 -22.3802 -21.9345 -21.9345 -9.0624 -9.0624 -9.0200 -9.0200 -8.6765 -8.6765 -7.3296 -7.3296 -7.2836 -7.2836 -7.2285 -7.2285 -7.0823 -7.0823 -6.9727 -6.9727 -6.7234 -6.7234 -6.4043 -6.4043 -6.3656 -6.3656 -6.2610 -6.2610 -6.1502 -6.1502 -6.1309 -6.1309 -5.9602 -5.9602 2.0329 2.0329 2.0382 2.0382 2.0638 2.0638 2.2457 2.2457 2.3322 2.3322 2.5255 2.5255 2.8491 2.8491 2.9721 2.9721 3.3374 3.3374 3.3954 3.3954 3.6207 3.6207 3.7006 3.7006 3.7137 3.7137 3.8812 3.8812 3.9445 3.9445 4.1918 4.1918 4.2168 4.2168 4.4383 4.4383 8.5294 8.5294 8.5572 8.5572 9.4254 9.4254 9.4729 9.4729 9.5312 9.5312 9.5719 9.5719 9.8010 9.8010 k = 0.0000 0.0000 0.8836 ( 9896 PWs) bands (ev): -22.3831 -22.3831 -22.3802 -22.3802 -21.9345 -21.9345 -9.0625 -9.0625 -9.0199 -9.0199 -8.6765 -8.6765 -7.3285 -7.3285 -7.2834 -7.2834 -7.2302 -7.2302 -7.0817 -7.0817 -6.9731 -6.9731 -6.7236 -6.7236 -6.4040 -6.4040 -6.3656 -6.3656 -6.2611 -6.2611 -6.1499 -6.1499 -6.1294 -6.1294 -5.9618 -5.9618 2.0348 2.0348 2.0380 2.0380 2.0646 2.0646 2.2465 2.2465 2.3314 2.3314 2.5241 2.5241 2.8488 2.8488 2.9755 2.9755 3.3357 3.3357 3.3934 3.3934 3.6393 3.6393 3.6926 3.6926 3.7028 3.7028 3.8812 3.8812 3.9444 3.9444 4.1952 4.1952 4.2115 4.2115 4.4380 4.4380 8.5271 8.5271 8.5551 8.5551 9.4259 9.4259 9.4769 9.4769 9.5355 9.5355 9.5712 9.5712 9.7937 9.7937 k = 0.5000 0.2887 0.8836 ( 9980 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0515 -9.0515 -9.0357 -9.0357 -8.6778 -8.6778 -7.4025 -7.4025 -7.2490 -7.2490 -7.1772 -7.1772 -7.0924 -7.0924 -6.9152 -6.9152 -6.6859 -6.6859 -6.4466 -6.4466 -6.3931 -6.3931 -6.2984 -6.2984 -6.2339 -6.2339 -6.1502 -6.1502 -5.8294 -5.8294 1.8097 1.8097 1.8957 1.8957 2.1260 2.1260 2.2298 2.2298 2.3523 2.3523 2.3992 2.3992 2.8924 2.8924 3.0999 3.0999 3.2004 3.2004 3.3396 3.3396 3.5677 3.5677 3.6568 3.6568 3.8570 3.8570 3.9621 3.9621 4.1413 4.1413 4.2129 4.2129 4.5166 4.5166 4.5562 4.5562 8.9868 8.9868 9.0036 9.0036 9.1482 9.1482 9.1922 9.1922 9.3008 9.3008 9.3874 9.3874 9.5476 9.5476 k = 0.5000 0.2887 0.8551 ( 9986 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0516 -9.0514 -9.0358 -9.0355 -8.6778 -8.6775 -7.4048 -7.4003 -7.2494 -7.2493 -7.1799 -7.1740 -7.0983 -7.0862 -6.9186 -6.9115 -6.6896 -6.6848 -6.4462 -6.4448 -6.3956 -6.3900 -6.3038 -6.2925 -6.2417 -6.2256 -6.1530 -6.1473 -5.8312 -5.8292 1.7965 1.8166 1.8930 1.9095 2.1235 2.1289 2.2237 2.2343 2.3437 2.3610 2.4009 2.4012 2.8760 2.9097 3.0877 3.1091 3.1945 3.2067 3.3268 3.3516 3.5665 3.5707 3.6572 3.6600 3.8533 3.8586 3.9531 3.9681 4.1367 4.1442 4.2081 4.2189 4.5155 4.5191 4.5542 4.5582 8.9785 8.9875 8.9963 9.0034 9.1451 9.1469 9.1908 9.1932 9.3002 9.3023 9.3893 9.3929 9.5428 9.5483 k = 0.5000 0.2887 0.8266 ( 9986 PWs) bands (ev): -22.3822 -22.3822 -22.3812 -22.3812 -21.9345 -21.9345 -9.0517 -9.0512 -9.0359 -9.0353 -8.6776 -8.6770 -7.4071 -7.3982 -7.2505 -7.2502 -7.1822 -7.1704 -7.1041 -7.0799 -6.9218 -6.9075 -6.6957 -6.6862 -6.4438 -6.4409 -6.3974 -6.3865 -6.3082 -6.2867 -6.2484 -6.2175 -6.1558 -6.1440 -5.8346 -5.8305 1.7817 1.8141 1.9045 1.9293 2.1213 2.1319 2.2161 2.2372 2.3368 2.3684 2.4055 2.4081 2.8607 2.9275 3.0728 3.1153 3.1892 3.2126 3.3134 3.3625 3.5668 3.5753 3.6613 3.6666 3.8477 3.8582 3.9416 3.9709 4.1305 4.1454 4.2045 4.2261 4.5161 4.5231 4.5522 4.5603 8.9551 8.9752 8.9914 9.0018 9.1377 9.1411 9.1895 9.1934 9.3002 9.3043 9.3974 9.4021 9.5355 9.5463 k = 0.5000 0.2887 0.7981 ( 9986 PWs) bands (ev): -22.3822 -22.3822 -22.3813 -22.3813 -21.9346 -21.9346 -9.0516 -9.0509 -9.0360 -9.0350 -8.6772 -8.6763 -7.4094 -7.3961 -7.2522 -7.2515 -7.1842 -7.1663 -7.1094 -7.0735 -6.9247 -6.9031 -6.7037 -6.6899 -6.4397 -6.4352 -6.3985 -6.3825 -6.3115 -6.2825 -6.2522 -6.2100 -6.1585 -6.1401 -5.8395 -5.8332 1.7677 1.8065 1.9258 1.9523 2.1197 2.1351 2.2075 2.2384 2.3325 2.3743 2.4121 2.4195 2.8466 2.9457 3.0561 3.1189 3.1846 3.2172 3.2998 3.3720 3.5687 3.5816 3.6691 3.6759 3.8408 3.8561 3.9284 3.9704 4.1227 4.1445 4.2019 4.2342 4.5181 4.5280 4.5503 4.5629 8.9199 8.9475 8.9891 9.0046 9.1262 9.1308 9.1883 9.1925 9.3001 9.3064 9.4054 9.4086 9.5298 9.5446 k = 0.5000 0.2887 0.7696 ( 9990 PWs) bands (ev): -22.3823 -22.3823 -22.3813 -22.3813 -21.9346 -21.9346 -9.0515 -9.0506 -9.0360 -9.0347 -8.6765 -8.6754 -7.4118 -7.3941 -7.2548 -7.2533 -7.1859 -7.1619 -7.1142 -7.0672 -6.9275 -6.8983 -6.7133 -6.6956 -6.4344 -6.4282 -6.3986 -6.3782 -6.3136 -6.2825 -6.2508 -6.2035 -6.1610 -6.1353 -5.8459 -5.8375 1.7555 1.7980 1.9526 1.9767 2.1187 2.1388 2.1981 2.2383 2.3314 2.3793 2.4204 2.4339 2.8340 2.9638 3.0385 3.1206 3.1806 3.2196 3.2863 3.3798 3.5719 3.5895 3.6804 3.6871 3.8335 3.8520 3.9149 3.9669 4.1133 4.1412 4.1998 4.2426 4.5215 4.5336 4.5487 4.5662 8.8783 8.9109 8.9873 9.0092 9.1111 9.1158 9.1872 9.1903 9.2991 9.3076 9.4051 9.4065 9.5307 9.5456 k = 0.5000 0.2887 0.7411 ( 9980 PWs) bands (ev): -22.3823 -22.3823 -22.3813 -22.3813 -21.9347 -21.9347 -9.0514 -9.0503 -9.0360 -9.0344 -8.6757 -8.6743 -7.4140 -7.3921 -7.2580 -7.2555 -7.1875 -7.1573 -7.1183 -7.0608 -6.9300 -6.8931 -6.7240 -6.7028 -6.4283 -6.4208 -6.3975 -6.3738 -6.3143 -6.2861 -6.2448 -6.1984 -6.1632 -6.1293 -5.8538 -5.8431 1.7456 1.7906 1.9825 2.0007 2.1184 2.1432 2.1891 2.2370 2.3339 2.3842 2.4300 2.4500 2.8230 2.9815 3.0208 3.1211 3.1773 3.2193 3.2733 3.3859 3.5760 3.5989 3.6946 3.6989 3.8270 3.8450 3.9032 3.9605 4.1024 4.1357 4.1975 4.2505 4.5261 4.5394 4.5477 4.5708 8.8334 8.8692 8.9848 9.0148 9.0929 9.0959 9.1859 9.1864 9.2966 9.3071 9.3932 9.3943 9.5375 9.5479 k = 0.5000 0.2887 0.7126 ( 9982 PWs) bands (ev): -22.3824 -22.3824 -22.3814 -22.3814 -21.9348 -21.9348 -9.0512 -9.0499 -9.0359 -9.0341 -8.6746 -8.6730 -7.4162 -7.3902 -7.2618 -7.2580 -7.1889 -7.1530 -7.1214 -7.0546 -6.9324 -6.8875 -6.7354 -6.7112 -6.4217 -6.4140 -6.3950 -6.3692 -6.3135 -6.2911 -6.2369 -6.1950 -6.1646 -6.1220 -5.8632 -5.8500 1.7381 1.7853 2.0140 2.0220 2.1190 2.1474 2.1836 2.2350 2.3401 2.3893 2.4406 2.4668 2.8138 2.9984 3.0041 3.1210 3.1745 3.2158 3.2610 3.3899 3.5805 3.6095 3.7098 3.7111 3.8232 3.8337 3.8962 3.9518 4.0901 4.1282 4.1944 4.2571 4.5316 4.5449 4.5474 4.5767 8.7871 8.8250 8.9803 9.0210 9.0708 9.0722 9.1801 9.1843 9.2922 9.3042 9.3725 9.3738 9.5421 9.5466 k = 0.5000 0.2887 0.6841 ( 9984 PWs) bands (ev): -22.3824 -22.3824 -22.3815 -22.3815 -21.9349 -21.9349 -9.0510 -9.0494 -9.0358 -9.0337 -8.6734 -8.6715 -7.4183 -7.3883 -7.2661 -7.2607 -7.1902 -7.1495 -7.1229 -7.0484 -6.9344 -6.8815 -6.7472 -6.7203 -6.4151 -6.4087 -6.3906 -6.3647 -6.3109 -6.2961 -6.2292 -6.1932 -6.1644 -6.1134 -5.8739 -5.8581 1.7332 1.7823 2.0383 2.0456 2.1211 2.1462 2.1892 2.2328 2.3498 2.3945 2.4522 2.4837 2.8065 2.9889 3.0139 3.1213 3.1724 3.2093 3.2496 3.3918 3.5850 3.6210 3.7179 3.7288 3.8183 3.8238 3.8951 3.9412 4.0767 4.1192 4.1899 4.2617 4.5382 4.5480 4.5501 4.5840 8.7408 8.7799 8.9715 9.0263 9.0416 9.0506 9.1707 9.1818 9.2861 9.2984 9.3473 9.3476 9.5347 9.5370 k = 0.5000 0.2887 0.6556 ( 9996 PWs) bands (ev): -22.3825 -22.3825 -22.3815 -22.3815 -21.9350 -21.9350 -9.0507 -9.0490 -9.0357 -9.0333 -8.6720 -8.6699 -7.4202 -7.3865 -7.2710 -7.2638 -7.1915 -7.1476 -7.1221 -7.0422 -6.9361 -6.8752 -6.7589 -6.7297 -6.4087 -6.4048 -6.3850 -6.3604 -6.3064 -6.3005 -6.2232 -6.1928 -6.1617 -6.1039 -5.8858 -5.8673 1.7309 1.7818 2.0483 2.0735 2.1271 2.1377 2.2093 2.2310 2.3627 2.3999 2.4645 2.5004 2.8013 2.9760 3.0273 3.1225 3.1711 3.2002 3.2392 3.3915 3.5889 3.6330 3.7220 3.7444 3.8027 3.8299 3.8991 3.9294 4.0624 4.1091 4.1838 4.2639 4.5456 4.5492 4.5550 4.5922 8.6953 8.7352 8.9552 9.0034 9.0305 9.0346 9.1577 9.1778 9.2793 9.2880 9.3177 9.3222 9.5116 9.5166 k = 0.5000 0.2887 0.6271 ( 9988 PWs) bands (ev): -22.3826 -22.3826 -22.3816 -22.3816 -21.9351 -21.9351 -9.0505 -9.0486 -9.0354 -9.0329 -8.6705 -8.6682 -7.4219 -7.3847 -7.2762 -7.2671 -7.1926 -7.1477 -7.1189 -7.0361 -6.9373 -6.8687 -6.7703 -6.7394 -6.4028 -6.4017 -6.3792 -6.3564 -6.3040 -6.3001 -6.2200 -6.1936 -6.1559 -6.0937 -5.8988 -5.8774 1.7313 1.7839 2.0529 2.0910 2.1261 2.1421 2.2312 2.2389 2.3782 2.4054 2.4774 2.5163 2.7983 2.9660 3.0379 3.1252 3.1706 3.1890 3.2300 3.3888 3.5918 3.6447 3.7224 3.7479 3.7982 3.8408 3.9068 3.9169 4.0476 4.0983 4.1763 4.2637 4.5498 4.5550 4.5596 4.6011 8.6514 8.6917 8.9289 8.9631 9.0134 9.0379 9.1415 9.1720 9.2678 9.2732 9.2858 9.3048 9.4773 9.4864 k = 0.5000 0.2887 0.5986 ( 9992 PWs) bands (ev): -22.3827 -22.3827 -22.3817 -22.3817 -21.9353 -21.9353 -9.0501 -9.0481 -9.0352 -9.0325 -8.6689 -8.6665 -7.4233 -7.3829 -7.2817 -7.2706 -7.1937 -7.1492 -7.1139 -7.0301 -6.9378 -6.8621 -6.7811 -6.7489 -6.3990 -6.3976 -6.3737 -6.3529 -6.3065 -6.2923 -6.2197 -6.1953 -6.1469 -6.0833 -5.9127 -5.8883 1.7342 1.7886 2.0537 2.0967 2.1134 2.1636 2.2364 2.2744 2.3960 2.4108 2.4910 2.5313 2.7977 2.9594 3.0456 3.1291 3.1711 3.1768 3.2226 3.3838 3.5929 3.6556 3.7202 3.7333 3.8109 3.8542 3.9049 3.9170 4.0331 4.0876 4.1680 4.2617 4.5508 4.5637 4.5645 4.6102 8.6096 8.6500 8.8936 8.9178 8.9974 9.0365 9.1249 9.1642 9.2384 9.2514 9.2708 9.2965 9.4371 9.4500 k = 0.5000 0.2887 0.5701 ( 9996 PWs) bands (ev): -22.3828 -22.3828 -22.3818 -22.3818 -21.9354 -21.9354 -9.0498 -9.0476 -9.0349 -9.0320 -8.6672 -8.6646 -7.4244 -7.3811 -7.2874 -7.2745 -7.1947 -7.1514 -7.1079 -7.0242 -6.9377 -6.8557 -6.7909 -6.7581 -6.3966 -6.3933 -6.3686 -6.3499 -6.3079 -6.2834 -6.2215 -6.1976 -6.1358 -6.0730 -5.9272 -5.8997 1.7396 1.7959 2.0521 2.0962 2.1005 2.1802 2.2516 2.3134 2.4158 2.4163 2.5053 2.5452 2.7996 2.9565 3.0506 3.1314 3.1660 3.1728 3.2174 3.3768 3.5915 3.6647 3.7123 3.7168 3.8294 3.8661 3.8954 3.9283 4.0199 4.0776 4.1598 4.2584 4.5510 4.5672 4.5747 4.6191 8.5703 8.6104 8.8516 8.8686 8.9799 9.0264 9.1114 9.1543 9.2063 9.2189 9.2697 9.2916 9.3947 9.4105 k = 0.5000 0.2887 0.5416 ( 10008 PWs) bands (ev): -22.3828 -22.3828 -22.3819 -22.3819 -21.9356 -21.9356 -9.0495 -9.0472 -9.0345 -9.0315 -8.6655 -8.6627 -7.4253 -7.3793 -7.2932 -7.2785 -7.1957 -7.1541 -7.1015 -7.0183 -6.9366 -6.8500 -6.7990 -6.7669 -6.3945 -6.3900 -6.3637 -6.3471 -6.3085 -6.2740 -6.2245 -6.2003 -6.1235 -6.0635 -5.9417 -5.9113 1.7475 1.8056 2.0488 2.0881 2.0923 2.1880 2.2775 2.3544 2.4219 2.4370 2.5205 2.5580 2.8040 2.9575 3.0538 3.1259 3.1624 3.1757 3.2151 3.3681 3.5868 3.6711 3.6907 3.7125 3.8473 3.8683 3.8945 3.9398 4.0102 4.0695 4.1530 4.2548 4.5502 4.5696 4.5850 4.6277 8.5337 8.5734 8.8051 8.8164 8.9597 9.0066 9.1006 9.1402 9.1761 9.1910 9.2701 9.2865 9.3522 9.3697 k = 0.5000 0.2887 0.5131 ( 10004 PWs) bands (ev): -22.3829 -22.3829 -22.3820 -22.3820 -21.9358 -21.9358 -9.0491 -9.0468 -9.0341 -9.0311 -8.6637 -8.6609 -7.4258 -7.3776 -7.2990 -7.2828 -7.1966 -7.1569 -7.0948 -7.0125 -6.9346 -6.8461 -6.8043 -6.7751 -6.3927 -6.3878 -6.3589 -6.3446 -6.3087 -6.2649 -6.2283 -6.2029 -6.1109 -6.0557 -5.9553 -5.9228 1.7577 1.8178 2.0436 2.0772 2.0857 2.1909 2.3086 2.3955 2.4275 2.4596 2.5367 2.5699 2.8111 2.9625 3.0560 3.1120 3.1657 3.1801 3.2161 3.3579 3.5779 3.6706 3.6737 3.7074 3.8607 3.8615 3.8999 3.9507 4.0070 4.0647 4.1488 4.2515 4.5482 4.5709 4.5951 4.6356 8.5000 8.5391 8.7555 8.7620 8.9368 8.9804 9.0858 9.1172 9.1527 9.1727 9.2684 9.2763 9.3127 9.3289 k = 0.5000 0.2887 0.4846 ( 10000 PWs) bands (ev): -22.3830 -22.3830 -22.3821 -22.3821 -21.9359 -21.9359 -9.0488 -9.0464 -9.0337 -9.0306 -8.6619 -8.6590 -7.4259 -7.3759 -7.3048 -7.2873 -7.1975 -7.1601 -7.0880 -7.0068 -6.9314 -6.8452 -6.8055 -6.7826 -6.3913 -6.3866 -6.3541 -6.3420 -6.3090 -6.2568 -6.2322 -6.2050 -6.0984 -6.0511 -5.9665 -5.9337 1.7702 1.8323 2.0357 2.0691 2.0768 2.1921 2.3404 2.4332 2.4344 2.4844 2.5546 2.5813 2.8209 2.9712 3.0580 3.0948 3.1707 3.1861 3.2207 3.3468 3.5645 3.6528 3.6724 3.7009 3.8497 3.8688 3.9035 3.9610 4.0120 4.0644 4.1487 4.2492 4.5447 4.5708 4.6044 4.6426 8.4693 8.5076 8.7040 8.7066 8.9124 8.9516 9.0617 9.0868 9.1377 9.1622 9.2520 9.2572 9.2820 9.2908 k = 0.5000 0.2887 0.4561 ( 9994 PWs) bands (ev): -22.3831 -22.3831 -22.3822 -22.3822 -21.9361 -21.9361 -9.0485 -9.0460 -9.0332 -9.0301 -8.6601 -8.6572 -7.4257 -7.3743 -7.3105 -7.2919 -7.1984 -7.1634 -7.0812 -7.0012 -6.9272 -6.8475 -6.8024 -6.7893 -6.3903 -6.3862 -6.3492 -6.3396 -6.3100 -6.2509 -6.2360 -6.2056 -6.0868 -6.0518 -5.9730 -5.9436 1.7849 1.8490 2.0251 2.0642 2.0659 2.1928 2.3710 2.4389 2.4671 2.5134 2.5745 2.5924 2.8333 2.9834 3.0593 3.0777 3.1753 3.1938 3.2284 3.3353 3.5472 3.6368 3.6672 3.6922 3.8356 3.8680 3.9061 3.9707 4.0241 4.0692 4.1532 4.2484 4.5399 4.5692 4.6126 4.6485 8.4416 8.4789 8.6509 8.6517 8.8876 8.9226 9.0316 9.0537 9.1244 9.1526 9.2163 9.2300 9.2572 9.2579 k = 0.5000 0.2887 0.4276 ( 10008 PWs) bands (ev): -22.3832 -22.3832 -22.3823 -22.3823 -21.9363 -21.9363 -9.0481 -9.0457 -9.0327 -9.0296 -8.6583 -8.6554 -7.4252 -7.3728 -7.3160 -7.2966 -7.1994 -7.1669 -7.0744 -6.9959 -6.9218 -6.8517 -6.7962 -6.7952 -6.3897 -6.3864 -6.3443 -6.3374 -6.3119 -6.2480 -6.2394 -6.2043 -6.0767 -6.0587 -5.9736 -5.9518 1.8015 1.8677 2.0127 2.0533 2.0620 2.1933 2.3992 2.4446 2.4913 2.5473 2.5968 2.6036 2.8481 2.9986 3.0525 3.0696 3.1797 3.2034 3.2382 3.3239 3.5277 3.6215 3.6582 3.6812 3.8183 3.8598 3.9105 3.9789 4.0407 4.0791 4.1621 4.2494 4.5337 4.5659 4.6195 4.6530 8.4167 8.4530 8.5958 8.5994 8.8635 8.8948 8.9996 9.0203 9.1053 9.1362 9.1789 9.1991 9.2252 9.2344 k = 0.5000 0.2887 0.3991 ( 10006 PWs) bands (ev): -22.3833 -22.3833 -22.3824 -22.3824 -21.9364 -21.9364 -9.0478 -9.0454 -9.0322 -9.0291 -8.6566 -8.6537 -7.4243 -7.3715 -7.3214 -7.3012 -7.2003 -7.1705 -7.0676 -6.9908 -6.9156 -6.8564 -6.7999 -6.7883 -6.3894 -6.3869 -6.3395 -6.3357 -6.3149 -6.2481 -6.2422 -6.2013 -6.0703 -6.0687 -5.9695 -5.9576 1.8199 1.8883 1.9994 2.0395 2.0618 2.1935 2.4243 2.4503 2.5089 2.5827 2.6154 2.6218 2.8647 3.0164 3.0360 3.0729 3.1845 3.2150 3.2491 3.3134 3.5076 3.6057 3.6451 3.6685 3.7988 3.8466 3.9174 3.9847 4.0592 4.0933 4.1747 4.2519 4.5262 4.5610 4.6248 4.6561 8.3947 8.4296 8.5420 8.5479 8.8411 8.8692 8.9673 8.9873 9.0775 9.1059 9.1432 9.1785 9.1924 9.2158 k = 0.5000 0.2887 0.3706 ( 10018 PWs) bands (ev): -22.3835 -22.3835 -22.3825 -22.3825 -21.9366 -21.9366 -9.0475 -9.0451 -9.0316 -9.0287 -8.6550 -8.6521 -7.4231 -7.3704 -7.3264 -7.3059 -7.2014 -7.1743 -7.0607 -6.9860 -6.9086 -6.8609 -6.8035 -6.7794 -6.3895 -6.3876 -6.3351 -6.3351 -6.3189 -6.2504 -6.2445 -6.1981 -6.0838 -6.0634 -5.9628 -5.9602 1.8398 1.9104 1.9859 2.0250 2.0630 2.1933 2.4453 2.4567 2.5222 2.6160 2.6278 2.6491 2.8823 3.0190 3.0360 3.0788 3.1902 3.2286 3.2603 3.3046 3.4882 3.5888 3.6269 3.6559 3.7783 3.8308 3.9265 3.9883 4.0783 4.1103 4.1897 4.2560 4.5177 4.5546 4.6286 4.6577 8.3752 8.4087 8.4900 8.4977 8.8209 8.8464 8.9355 8.9550 9.0426 9.0656 9.1109 9.1614 9.1660 9.2011 k = 0.5000 0.2887 0.3420 ( 10006 PWs) bands (ev): -22.3835 -22.3835 -22.3825 -22.3825 -21.9368 -21.9368 -9.0473 -9.0449 -9.0311 -9.0282 -8.6534 -8.6507 -7.4216 -7.3696 -7.3310 -7.3105 -7.2024 -7.1782 -7.0538 -6.9815 -6.9013 -6.8649 -6.8055 -6.7698 -6.3899 -6.3882 -6.3367 -6.3313 -6.3228 -6.2537 -6.2462 -6.1966 -6.0966 -6.0608 -5.9596 -5.9550 1.8610 1.9339 1.9728 2.0100 2.0655 2.1924 2.4561 2.4702 2.5323 2.6409 2.6461 2.6772 2.9000 3.0031 3.0565 3.0859 3.1974 3.2443 3.2715 3.2985 3.4703 3.5711 3.6036 3.6441 3.7580 3.8138 3.9367 3.9905 4.0971 4.1280 4.2062 4.2610 4.5083 4.5467 4.6309 4.6579 8.3581 8.3898 8.4406 8.4496 8.8035 8.8270 8.9039 8.9234 9.0040 9.0223 9.0833 9.1341 9.1556 9.1878 k = 0.5000 0.2887 0.3135 ( 9996 PWs) bands (ev): -22.3836 -22.3836 -22.3826 -22.3826 -21.9369 -21.9369 -9.0470 -9.0447 -9.0305 -9.0278 -8.6519 -8.6493 -7.4198 -7.3691 -7.3351 -7.3150 -7.2035 -7.1821 -7.0469 -6.9775 -6.8940 -6.8683 -6.8056 -6.7597 -6.3905 -6.3888 -6.3418 -6.3283 -6.3253 -6.2574 -6.2473 -6.1987 -6.1066 -6.0605 -5.9561 -5.9468 1.8831 1.9580 1.9603 1.9954 2.0692 2.1909 2.4598 2.4880 2.5396 2.6546 2.6734 2.7039 2.9168 2.9889 3.0766 3.0930 3.2069 3.2614 3.2822 3.2968 3.4544 3.5534 3.5760 3.6332 3.7387 3.7968 3.9474 3.9921 4.1148 4.1446 4.2235 4.2664 4.4986 4.5375 4.6318 4.6567 8.3431 8.3718 8.3952 8.4040 8.7891 8.8112 8.8726 8.8925 8.9645 8.9792 9.0615 9.1113 9.1450 9.1743 k = 0.5000 0.2887 0.2850 ( 10002 PWs) bands (ev): -22.3837 -22.3837 -22.3827 -22.3827 -21.9371 -21.9371 -9.0468 -9.0446 -9.0299 -9.0274 -8.6505 -8.6480 -7.4178 -7.3691 -7.3387 -7.3192 -7.2047 -7.1859 -7.0400 -6.9741 -6.8875 -6.8711 -6.8035 -6.7493 -6.3915 -6.3893 -6.3501 -6.3266 -6.3265 -6.2608 -6.2481 -6.2055 -6.1123 -6.0618 -5.9506 -5.9388 1.9050 1.9494 1.9743 1.9895 2.0740 2.1885 2.4616 2.5056 2.5444 2.6689 2.6979 2.7273 2.9319 2.9768 3.0943 3.0990 3.2190 3.2783 3.2925 3.3023 3.4406 3.5370 3.5453 3.6233 3.7205 3.7804 3.9580 3.9936 4.1309 4.1586 4.2411 4.2717 4.4892 4.5274 4.6314 4.6544 8.3294 8.3448 8.3618 8.3640 8.7778 8.7990 8.8415 8.8623 8.9260 8.9378 9.0459 9.0939 9.1337 9.1599 k = 0.5000 0.2887 0.2565 ( 10004 PWs) bands (ev): -22.3838 -22.3838 -22.3828 -22.3828 -21.9372 -21.9372 -9.0465 -9.0445 -9.0294 -9.0270 -8.6492 -8.6469 -7.4156 -7.3697 -7.3417 -7.3233 -7.2058 -7.1896 -7.0330 -6.9712 -6.8821 -6.8733 -6.7989 -6.7388 -6.3927 -6.3896 -6.3602 -6.3274 -6.3264 -6.2636 -6.2484 -6.2166 -6.1137 -6.0639 -5.9439 -5.9311 1.9214 1.9452 1.9634 2.0118 2.0799 2.1852 2.4620 2.5231 2.5466 2.6836 2.7194 2.7469 2.9448 2.9673 3.1032 3.1080 3.2330 3.2928 3.3023 3.3176 3.4292 3.5129 3.5237 3.6143 3.7036 3.7648 3.9680 3.9955 4.1448 4.1690 4.2583 4.2760 4.4806 4.5168 4.6302 4.6511 8.3066 8.3117 8.3288 8.3491 8.7690 8.7897 8.8114 8.8335 8.8899 8.8988 9.0366 9.0820 9.1219 9.1449 k = 0.5000 0.2887 0.2280 ( 10008 PWs) bands (ev): -22.3839 -22.3839 -22.3829 -22.3829 -21.9373 -21.9373 -9.0463 -9.0444 -9.0288 -9.0267 -8.6481 -8.6460 -7.4132 -7.3708 -7.3439 -7.3270 -7.2069 -7.1932 -7.0261 -6.9690 -6.8781 -6.8749 -6.7915 -6.7284 -6.3943 -6.3898 -6.3712 -6.3282 -6.3281 -6.2660 -6.2485 -6.2299 -6.1121 -6.0662 -5.9368 -5.9241 1.9197 1.9500 1.9603 2.0369 2.0869 2.1811 2.4612 2.5408 2.5463 2.6986 2.7362 2.7635 2.9555 2.9603 3.1055 3.1167 3.2459 3.3073 3.3131 3.3388 3.4204 3.4807 3.5150 3.6064 3.6880 3.7501 3.9774 3.9981 4.1559 4.1750 4.2744 4.2788 4.4736 4.5063 4.6283 4.6472 8.2704 8.2801 8.3146 8.3376 8.7610 8.7762 8.7892 8.8083 8.8572 8.8628 9.0332 9.0754 9.1105 9.1300 k = 0.5000 0.2887 0.1995 ( 10016 PWs) bands (ev): -22.3840 -22.3840 -22.3830 -22.3830 -21.9375 -21.9375 -9.0461 -9.0444 -9.0283 -9.0264 -8.6470 -8.6451 -7.4106 -7.3725 -7.3455 -7.3305 -7.2080 -7.1965 -7.0192 -6.9675 -6.8760 -6.8755 -6.7818 -6.7184 -6.3962 -6.3905 -6.3819 -6.3317 -6.3291 -6.2688 -6.2483 -6.2427 -6.1089 -6.0684 -5.9297 -5.9178 1.9119 1.9372 1.9823 2.0615 2.0949 2.1762 2.4596 2.5434 2.5590 2.7137 2.7467 2.7785 2.9560 2.9639 3.1067 3.1211 3.2528 3.3237 3.3273 3.3588 3.4154 3.4526 3.5116 3.5996 3.6739 3.7364 3.9863 4.0018 4.1635 4.1762 4.2802 4.2886 4.4688 4.4965 4.6262 4.6429 8.2379 8.2479 8.3064 8.3279 8.7491 8.7499 8.7826 8.7913 8.8298 8.8303 9.0346 9.0731 9.1005 9.1165 k = 0.5000 0.2887 0.1710 ( 10006 PWs) bands (ev): -22.3840 -22.3840 -22.3830 -22.3830 -21.9376 -21.9376 -9.0459 -9.0444 -9.0279 -9.0262 -8.6461 -8.6444 -7.4080 -7.3747 -7.3465 -7.3337 -7.2089 -7.1995 -7.0124 -6.9668 -6.8766 -6.8741 -6.7703 -6.7092 -6.3986 -6.3965 -6.3869 -6.3369 -6.3297 -6.2747 -6.2513 -6.2481 -6.1050 -6.0706 -5.9229 -5.9123 1.9041 1.9256 2.0046 2.0844 2.1038 2.1707 2.4576 2.5380 2.5776 2.7289 2.7506 2.7922 2.9541 2.9702 3.1080 3.1225 3.2506 3.3403 3.3455 3.3653 3.4155 3.4397 3.5130 3.5939 3.6615 3.7235 3.9947 4.0069 4.1666 4.1724 4.2807 4.3002 4.4664 4.4883 4.6240 4.6385 8.2095 8.2188 8.3004 8.3197 8.7238 8.7303 8.7747 8.7851 8.8020 8.8120 9.0397 9.0731 9.0943 9.1058 k = 0.5000 0.2887 0.1425 ( 10006 PWs) bands (ev): -22.3841 -22.3841 -22.3831 -22.3831 -21.9377 -21.9377 -9.0457 -9.0444 -9.0274 -9.0260 -8.6453 -8.6439 -7.4053 -7.3771 -7.3471 -7.3365 -7.2097 -7.2022 -7.0058 -6.9668 -6.8769 -6.8734 -6.7576 -6.7012 -6.4064 -6.4017 -6.3868 -6.3436 -6.3301 -6.2842 -6.2543 -6.2479 -6.1008 -6.0725 -5.9168 -5.9076 1.8974 1.9151 2.0260 2.1043 2.1137 2.1651 2.4558 2.5302 2.5967 2.7439 2.7491 2.8034 2.9543 2.9745 3.1104 3.1225 3.2412 3.3432 3.3617 3.3648 3.4212 3.4494 3.5184 3.5890 3.6514 3.7113 4.0035 4.0138 4.1639 4.1641 4.2815 4.3084 4.4662 4.4821 4.6220 4.6342 8.1853 8.1936 8.2960 8.3128 8.7005 8.7092 8.7604 8.7743 8.7891 8.8066 9.0463 9.0720 9.0949 9.0998 k = 0.5000 0.2887 0.1140 ( 10006 PWs) bands (ev): -22.3841 -22.3841 -22.3831 -22.3831 -21.9377 -21.9377 -9.0455 -9.0445 -9.0270 -9.0259 -8.6446 -8.6434 -7.4025 -7.3798 -7.3473 -7.3390 -7.2103 -7.2045 -6.9995 -6.9677 -6.8769 -6.8733 -6.7444 -6.6952 -6.4152 -6.4054 -6.3857 -6.3511 -6.3299 -6.2945 -6.2543 -6.2479 -6.0967 -6.0745 -5.9115 -5.9039 1.8920 1.9061 2.0459 2.1193 2.1242 2.1603 2.4551 2.5205 2.6161 2.7434 2.7584 2.8112 2.9564 2.9770 3.1144 3.1221 3.2286 3.3174 3.3751 3.3813 3.4321 3.4668 3.5265 3.5848 3.6442 3.6995 4.0130 4.0228 4.1512 4.1559 4.2838 4.3132 4.4674 4.4781 4.6204 4.6303 8.1655 8.1726 8.2931 8.3070 8.6806 8.6894 8.7444 8.7542 8.7928 8.8078 9.0528 9.0702 9.1000 9.1015 k = 0.5000 0.2887 0.0855 ( 10002 PWs) bands (ev): -22.3842 -22.3842 -22.3831 -22.3831 -21.9378 -21.9378 -9.0453 -9.0446 -9.0267 -9.0258 -8.6440 -8.6431 -7.3997 -7.3826 -7.3472 -7.3411 -7.2107 -7.2065 -6.9936 -6.9693 -6.8766 -6.8736 -6.7313 -6.6915 -6.4218 -6.4100 -6.3841 -6.3587 -6.3292 -6.3036 -6.2534 -6.2480 -6.0928 -6.0764 -5.9070 -5.9013 1.8880 1.8986 2.0638 2.1261 2.1348 2.1587 2.4562 2.5094 2.6356 2.7342 2.7722 2.8150 2.9598 2.9779 3.1197 3.1223 3.2167 3.2887 3.3877 3.3932 3.4467 3.4815 3.5363 3.5808 3.6411 3.6882 4.0242 4.0341 4.1351 4.1427 4.2878 4.3146 4.4694 4.4759 4.6193 4.6268 8.1503 8.1558 8.2915 8.3023 8.6649 8.6725 8.7309 8.7376 8.7984 8.8107 9.0585 9.0700 9.1058 9.1104 k = 0.5000 0.2887 0.0570 ( 10004 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9378 -21.9378 -9.0452 -9.0447 -9.0264 -9.0258 -8.6435 -8.6430 -7.3968 -7.3854 -7.3469 -7.3429 -7.2108 -7.2081 -6.9881 -6.9717 -6.8762 -6.8740 -6.7190 -6.6909 -6.4256 -6.4151 -6.3821 -6.3656 -6.3276 -6.3111 -6.2521 -6.2483 -6.0893 -6.0785 -5.9034 -5.8996 1.8856 1.8927 2.0797 2.1239 2.1450 2.1605 2.4598 2.4975 2.6549 2.7222 2.7849 2.8150 2.9641 2.9773 3.1235 3.1250 3.2092 3.2615 3.3972 3.4008 3.4620 3.4898 3.5465 3.5765 3.6425 3.6771 4.0374 4.0475 4.1170 4.1262 4.2930 4.3132 4.4714 4.4750 4.6189 4.6239 8.1397 8.1434 8.2911 8.2984 8.6539 8.6593 8.7211 8.7254 8.8041 8.8129 9.0644 9.0717 9.1144 9.1192 k = 0.5000 0.2887 0.0285 ( 10018 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0450 -9.0448 -9.0262 -9.0259 -8.6432 -8.6429 -7.3940 -7.3883 -7.3463 -7.3443 -7.2107 -7.2093 -6.9830 -6.9748 -6.8757 -6.8745 -6.7081 -6.6936 -6.4264 -6.4202 -6.3794 -6.3713 -6.3252 -6.3171 -6.2509 -6.2489 -6.0861 -6.0807 -5.9009 -5.8990 1.8849 1.8884 2.0937 2.1162 2.1535 2.1615 2.4661 2.4857 2.6736 2.7077 2.7960 2.8116 2.9684 2.9754 3.1256 3.1281 3.2096 3.2378 3.4033 3.4050 3.4755 3.4908 3.5561 3.5712 3.6480 3.6664 4.0521 4.0612 4.1000 4.1086 4.2989 4.3096 4.4730 4.4746 4.6191 4.6216 8.1337 8.1356 8.2917 8.2954 8.6477 8.6506 8.7155 8.7176 8.8089 8.8135 9.0701 9.0738 9.1226 9.1257 k = 0.5000 0.2887-0.0000 ( 10018 PWs) bands (ev): -22.3842 -22.3842 -22.3832 -22.3832 -21.9379 -21.9379 -9.0449 -9.0449 -9.0260 -9.0260 -8.6430 -8.6430 -7.3911 -7.3911 -7.3455 -7.3455 -7.2102 -7.2102 -6.9786 -6.9786 -6.8751 -6.8751 -6.6995 -6.6995 -6.4243 -6.4243 -6.3759 -6.3759 -6.3217 -6.3217 -6.2498 -6.2498 -6.0833 -6.0833 -5.8994 -5.8994 1.8858 1.8858 2.1059 2.1059 2.1593 2.1593 2.4749 2.4749 2.6914 2.6914 2.8050 2.8050 2.9723 2.9723 3.1278 3.1278 3.2197 3.2197 3.4059 3.4059 3.4856 3.4856 3.5645 3.5645 3.6564 3.6564 4.0649 4.0649 4.0950 4.0950 4.3046 4.3046 4.4741 4.4741 4.6200 4.6200 8.1323 8.1323 8.2931 8.2931 8.6466 8.6466 8.7143 8.7143 8.8122 8.8122 9.0737 9.0737 9.1272 9.1272 k = 0.3333 0.5774-0.0000 ( 10029 PWs) bands (ev): -22.3837 -22.3837 -22.3837 -22.3837 -21.9379 -21.9379 -9.0364 -9.0364 -9.0348 -9.0348 -8.6444 -8.6444 -7.3963 -7.3963 -7.3264 -7.3264 -7.2508 -7.2508 -6.9533 -6.9533 -6.8558 -6.8558 -6.6807 -6.6807 -6.4467 -6.4467 -6.3717 -6.3717 -6.3706 -6.3706 -6.2035 -6.2035 -6.0489 -6.0489 -5.9505 -5.9505 1.9281 1.9281 2.0562 2.0562 2.1431 2.1431 2.5877 2.5877 2.6728 2.6728 2.7637 2.7637 3.0470 3.0470 3.0700 3.0700 3.1529 3.1529 3.3752 3.3752 3.4583 3.4583 3.5647 3.5647 3.9161 3.9161 3.9458 3.9458 3.9461 3.9461 4.3455 4.3455 4.5682 4.5682 4.5720 4.5720 8.2231 8.2231 8.4836 8.4836 8.4944 8.4944 8.7956 8.7956 8.8501 8.8501 8.8625 8.8625 8.9277 8.9277 k = 0.3333 0.5774 0.0285 ( 10008 PWs) bands (ev): -22.3837 -22.3837 -22.3837 -22.3837 -21.9379 -21.9379 -9.0365 -9.0365 -9.0350 -9.0346 -8.6445 -8.6445 -7.3964 -7.3964 -7.3262 -7.3262 -7.2512 -7.2499 -6.9536 -6.9536 -6.8565 -6.8553 -6.6827 -6.6827 -6.4448 -6.4448 -6.3715 -6.3712 -6.3702 -6.3702 -6.2035 -6.2035 -6.0489 -6.0489 -5.9524 -5.9498 1.9286 1.9286 2.0436 2.0670 2.1420 2.1420 2.5789 2.5969 2.6735 2.6735 2.7612 2.7612 3.0456 3.0456 3.0654 3.0766 3.1547 3.1547 3.3718 3.3718 3.4601 3.4601 3.5582 3.5640 3.9128 3.9128 3.9438 3.9512 3.9512 3.9537 4.3457 4.3457 4.5672 4.5672 4.5693 4.5732 8.2255 8.2255 8.4808 8.4847 8.4939 8.4939 8.7971 8.7971 8.8503 8.8543 8.8644 8.8644 8.9282 8.9367 k = 0.3333 0.5774 0.0570 ( 10014 PWs) bands (ev): -22.3837 -22.3837 -22.3837 -22.3837 -21.9378 -21.9378 -9.0365 -9.0365 -9.0352 -9.0344 -8.6447 -8.6447 -7.3967 -7.3967 -7.3255 -7.3255 -7.2512 -7.2486 -6.9545 -6.9545 -6.8572 -6.8549 -6.6883 -6.6883 -6.4396 -6.4396 -6.3708 -6.3701 -6.3689 -6.3689 -6.2036 -6.2036 -6.0489 -6.0489 -5.9556 -5.9502 1.9300 1.9300 2.0295 2.0757 2.1388 2.1388 2.5711 2.6061 2.6754 2.6754 2.7538 2.7538 3.0419 3.0419 3.0625 3.0854 3.1597 3.1597 3.3626 3.3626 3.4644 3.4644 3.5453 3.5564 3.9066 3.9066 3.9474 3.9627 3.9627 3.9663 4.3463 4.3463 4.5645 4.5645 4.5650 4.5728 8.2326 8.2326 8.4770 8.4844 8.4928 8.4928 8.8014 8.8014 8.8545 8.8632 8.8702 8.8702 8.9379 8.9550 k = 0.3333 0.5774 0.0855 ( 9996 PWs) bands (ev): -22.3836 -22.3836 -22.3836 -22.3836 -21.9378 -21.9378 -9.0366 -9.0366 -9.0355 -9.0343 -8.6450 -8.6450 -7.3972 -7.3972 -7.3245 -7.3245 -7.2509 -7.2469 -6.9560 -6.9560 -6.8580 -6.8547 -6.6970 -6.6970 -6.4319 -6.4319 -6.3696 -6.3684 -6.3667 -6.3667 -6.2036 -6.2036 -6.0489 -6.0489 -5.9600 -5.9518 1.9323 1.9323 2.0143 2.0819 2.1337 2.1337 2.5646 2.6149 2.6782 2.6782 2.7420 2.7420 3.0363 3.0363 3.0609 3.0964 3.1670 3.1670 3.3501 3.3501 3.4695 3.4695 3.5275 3.5430 3.9005 3.9005 3.9558 3.9769 3.9769 3.9824 4.3475 4.3475 4.5594 4.5601 4.5601 4.5711 8.2443 8.2443 8.4728 8.4831 8.4916 8.4916 8.8088 8.8088 8.8626 8.8766 8.8798 8.8798 8.9561 8.9778 k = 0.3333 0.5774 0.1140 ( 10002 PWs) bands (ev): -22.3836 -22.3836 -22.3836 -22.3836 -21.9377 -21.9377 -9.0368 -9.0368 -9.0358 -9.0342 -8.6454 -8.6454 -7.3979 -7.3979 -7.3230 -7.3230 -7.2501 -7.2449 -6.9580 -6.9580 -6.8587 -6.8546 -6.7079 -6.7079 -6.4227 -6.4227 -6.3680 -6.3659 -6.3635 -6.3635 -6.2035 -6.2035 -6.0488 -6.0488 -5.9655 -5.9546 1.9355 1.9355 1.9983 2.0855 2.1268 2.1268 2.5598 2.6228 2.6813 2.6813 2.7262 2.7262 3.0297 3.0297 3.0602 3.1096 3.1754 3.1754 3.3362 3.3362 3.4744 3.4744 3.5062 3.5255 3.8953 3.8953 3.9675 3.9924 3.9924 4.0002 4.3492 4.3492 4.5526 4.5543 4.5543 4.5684 8.2602 8.2602 8.4693 8.4818 8.4911 8.4911 8.8190 8.8190 8.8744 8.8930 8.8930 8.8942 8.9816 9.0056 k = 0.3333 0.5774 0.1425 ( 9999 PWs) bands (ev): -22.3836 -22.3836 -22.3836 -22.3836 -21.9377 -21.9377 -9.0370 -9.0370 -9.0361 -9.0341 -8.6459 -8.6459 -7.3987 -7.3987 -7.3211 -7.3211 -7.2491 -7.2424 -6.9606 -6.9606 -6.8592 -6.8545 -6.7204 -6.7204 -6.4132 -6.4132 -6.3660 -6.3629 -6.3591 -6.3591 -6.2031 -6.2031 -6.0485 -6.0485 -5.9723 -5.9584 1.9393 1.9393 1.9818 2.0863 2.1185 2.1185 2.5570 2.6295 2.6830 2.6830 2.7082 2.7082 3.0225 3.0225 3.0596 3.1246 3.1841 3.1841 3.3227 3.3227 3.4785 3.4785 3.4831 3.5056 3.8908 3.8908 3.9810 4.0080 4.0080 4.0181 4.3517 4.3517 4.5451 4.5476 4.5476 4.5649 8.2801 8.2801 8.4674 8.4816 8.4919 8.4919 8.8322 8.8322 8.8895 8.9095 8.9095 8.9155 9.0131 9.0387 k = 0.3333 0.5774 0.1710 ( 9996 PWs) bands (ev): -22.3835 -22.3835 -22.3835 -22.3835 -21.9376 -21.9376 -9.0372 -9.0372 -9.0365 -9.0341 -8.6465 -8.6465 -7.3996 -7.3996 -7.3189 -7.3189 -7.2477 -7.2397 -6.9637 -6.9637 -6.8595 -6.8545 -6.7337 -6.7337 -6.4042 -6.4042 -6.3638 -6.3593 -6.3538 -6.3538 -6.2023 -6.2023 -6.0477 -6.0477 -5.9801 -5.9633 1.9436 1.9436 1.9652 2.0844 2.1091 2.1091 2.5562 2.6348 2.6751 2.6751 2.6962 2.6962 3.0149 3.0149 3.0585 3.1410 3.1919 3.1919 3.3111 3.3111 3.4595 3.4818 3.4818 3.4853 3.8867 3.8867 3.9947 4.0229 4.0229 4.0348 4.3549 4.3549 4.5374 4.5403 4.5403 4.5611 8.3034 8.3034 8.4678 8.4834 8.4949 8.4949 8.8481 8.8481 8.9077 8.9289 8.9289 8.9398 9.0494 9.0759 k = 0.3333 0.5774 0.1995 ( 10005 PWs) bands (ev): -22.3835 -22.3835 -22.3835 -22.3835 -21.9375 -21.9375 -9.0375 -9.0375 -9.0368 -9.0341 -8.6473 -8.6473 -7.4006 -7.4006 -7.3163 -7.3163 -7.2461 -7.2366 -6.9672 -6.9672 -6.8594 -6.8545 -6.7474 -6.7474 -6.3964 -6.3964 -6.3615 -6.3551 -6.3477 -6.3477 -6.2010 -6.2010 -6.0463 -6.0463 -5.9891 -5.9692 1.9484 1.9484 1.9487 2.0800 2.0990 2.0990 2.5572 2.6384 2.6527 2.6527 2.6947 2.6947 3.0075 3.0075 3.0563 3.1581 3.1982 3.1982 3.3027 3.3027 3.4368 3.4661 3.4847 3.4847 3.8826 3.8826 4.0077 4.0364 4.0364 4.0490 4.3590 4.3590 4.5302 4.5331 4.5331 4.5574 8.3297 8.3297 8.4710 8.4877 8.5005 8.5005 8.8665 8.8665 8.9287 8.9508 8.9508 8.9665 9.0891 9.1160 k = 0.3333 0.5774 0.2280 ( 10023 PWs) bands (ev): -22.3834 -22.3834 -22.3834 -22.3834 -21.9373 -21.9373 -9.0378 -9.0378 -9.0372 -9.0342 -8.6482 -8.6482 -7.4017 -7.4017 -7.3134 -7.3134 -7.2443 -7.2334 -6.9712 -6.9712 -6.8588 -6.8542 -6.7611 -6.7611 -6.3898 -6.3898 -6.3591 -6.3505 -6.3416 -6.3416 -6.1991 -6.1991 -6.0440 -6.0440 -5.9992 -5.9759 1.9324 1.9533 1.9533 2.0734 2.0884 2.0884 2.5598 2.6259 2.6259 2.6403 2.6936 2.6936 3.0005 3.0005 3.0520 3.1748 3.2021 3.2021 3.2984 3.2984 3.4166 3.4493 3.4876 3.4876 3.8781 3.8781 4.0191 4.0475 4.0475 4.0598 4.3639 4.3639 4.5240 4.5265 4.5265 4.5541 8.3584 8.3584 8.4774 8.4952 8.5091 8.5091 8.8874 8.8874 8.9518 8.9745 8.9745 8.9948 9.1308 9.1578 k = 0.3333 0.5774 0.2565 ( 10026 PWs) bands (ev): -22.3833 -22.3833 -22.3833 -22.3833 -21.9372 -21.9372 -9.0382 -9.0382 -9.0375 -9.0343 -8.6492 -8.6492 -7.4029 -7.4029 -7.3101 -7.3101 -7.2424 -7.2300 -6.9756 -6.9756 -6.8576 -6.8538 -6.7745 -6.7745 -6.3842 -6.3842 -6.3569 -6.3455 -6.3362 -6.3362 -6.1967 -6.1967 -6.0405 -6.0405 -6.0102 -5.9835 1.9167 1.9582 1.9582 2.0650 2.0777 2.0777 2.5636 2.5971 2.5971 2.6402 2.6901 2.6901 2.9944 2.9944 3.0453 3.1895 3.2037 3.2037 3.2985 3.2985 3.4006 3.4360 3.4908 3.4908 3.8730 3.8730 4.0282 4.0559 4.0559 4.0663 4.3692 4.3692 4.5195 4.5212 4.5212 4.5516 8.3888 8.3888 8.4872 8.5062 8.5210 8.5210 8.9105 8.9105 8.9765 8.9993 8.9993 9.0238 9.1733 9.2001 k = 0.3333 0.5774 0.2850 ( 10026 PWs) bands (ev): -22.3832 -22.3832 -22.3832 -22.3832 -21.9371 -21.9371 -9.0386 -9.0386 -9.0379 -9.0344 -8.6503 -8.6503 -7.4040 -7.4040 -7.3066 -7.3066 -7.2404 -7.2266 -6.9803 -6.9803 -6.8558 -6.8529 -6.7875 -6.7875 -6.3795 -6.3795 -6.3549 -6.3402 -6.3320 -6.3320 -6.1939 -6.1939 -6.0355 -6.0355 -6.0222 -5.9919 1.9016 1.9627 1.9627 2.0550 2.0673 2.0673 2.5673 2.5673 2.5682 2.6383 2.6832 2.6832 2.9900 2.9900 3.0359 3.2004 3.2037 3.2037 3.3022 3.3022 3.3910 3.4268 3.4947 3.4947 3.8669 3.8669 4.0348 4.0610 4.0610 4.0681 4.3747 4.3747 4.5171 4.5177 4.5177 4.5501 8.4203 8.4203 8.5006 8.5207 8.5362 8.5362 8.9356 8.9356 9.0021 9.0244 9.0244 9.0525 9.2156 9.2418 k = 0.3333 0.5774 0.3135 ( 10020 PWs) bands (ev): -22.3831 -22.3831 -22.3831 -22.3831 -21.9369 -21.9369 -9.0390 -9.0390 -9.0383 -9.0346 -8.6516 -8.6516 -7.4051 -7.4051 -7.3027 -7.3027 -7.2384 -7.2232 -6.9855 -6.9855 -6.8531 -6.8515 -6.7998 -6.7998 -6.3755 -6.3755 -6.3532 -6.3348 -6.3294 -6.3294 -6.1911 -6.1911 -6.0349 -6.0287 -6.0287 -6.0008 1.8874 1.9667 1.9667 2.0439 2.0573 2.0573 2.5370 2.5370 2.5731 2.6343 2.6725 2.6725 2.9875 2.9875 3.0240 3.2030 3.2030 3.2057 3.3084 3.3084 3.3893 3.4217 3.4995 3.4995 3.8599 3.8599 4.0389 4.0629 4.0629 4.0652 4.3800 4.3800 4.5164 4.5164 4.5168 4.5497 8.4524 8.4524 8.5174 8.5389 8.5548 8.5548 8.9627 8.9627 9.0281 9.0491 9.0491 9.0798 9.2569 9.2813 k = 0.3333 0.5774 0.3420 ( 10014 PWs) bands (ev): -22.3830 -22.3830 -22.3830 -22.3830 -21.9368 -21.9368 -9.0394 -9.0394 -9.0386 -9.0348 -8.6529 -8.6529 -7.4061 -7.4061 -7.2986 -7.2986 -7.2363 -7.2199 -6.9909 -6.9909 -6.8495 -6.8495 -6.8114 -6.8114 -6.3720 -6.3720 -6.3520 -6.3293 -6.3283 -6.3283 -6.1889 -6.1889 -6.0484 -6.0200 -6.0200 -6.0102 1.8741 1.9698 1.9698 2.0320 2.0481 2.0481 2.5066 2.5066 2.5777 2.6284 2.6578 2.6578 2.9871 2.9871 3.0103 3.2025 3.2025 3.2053 3.3163 3.3163 3.3956 3.4204 3.5052 3.5052 3.8521 3.8521 4.0406 4.0581 4.0618 4.0618 4.3844 4.3844 4.5175 4.5175 4.5186 4.5504 8.4846 8.4846 8.5377 8.5606 8.5766 8.5766 8.9914 8.9914 9.0538 9.0726 9.0726 9.1047 9.2972 9.3147 k = 0.3333 0.5774 0.3706 ( 10014 PWs) bands (ev): -22.3830 -22.3830 -22.3830 -22.3829 -21.9366 -21.9366 -9.0399 -9.0399 -9.0390 -9.0350 -8.6544 -8.6544 -7.4071 -7.4071 -7.2942 -7.2942 -7.2344 -7.2167 -6.9967 -6.9967 -6.8468 -6.8450 -6.8221 -6.8221 -6.3692 -6.3692 -6.3514 -6.3283 -6.3283 -6.3239 -6.1874 -6.1874 -6.0625 -6.0201 -6.0094 -6.0094 1.8619 1.9719 1.9719 2.0197 2.0397 2.0397 2.4767 2.4767 2.5814 2.6206 2.6394 2.6394 2.9890 2.9890 2.9956 3.2004 3.2027 3.2027 3.3253 3.3253 3.4081 3.4222 3.5116 3.5116 3.8437 3.8437 4.0403 4.0475 4.0580 4.0580 4.3878 4.3878 4.5205 4.5205 4.5221 4.5519 8.5164 8.5164 8.5613 8.5858 8.6015 8.6015 9.0216 9.0216 9.0788 9.0945 9.0945 9.1267 9.3357 9.3357 k = 0.3333 0.5774 0.3991 ( 10011 PWs) bands (ev): -22.3829 -22.3829 -22.3829 -22.3829 -21.9364 -21.9364 -9.0404 -9.0404 -9.0394 -9.0353 -8.6559 -8.6559 -7.4079 -7.4079 -7.2896 -7.2896 -7.2326 -7.2138 -7.0028 -7.0028 -6.8432 -6.8395 -6.8319 -6.8319 -6.3671 -6.3671 -6.3516 -6.3290 -6.3290 -6.3187 -6.1870 -6.1870 -6.0769 -6.0301 -5.9971 -5.9971 1.8509 1.9727 1.9727 2.0072 2.0325 2.0325 2.4476 2.4476 2.5836 2.6110 2.6179 2.6179 2.9811 2.9928 2.9928 3.1933 3.2037 3.2037 3.3349 3.3349 3.4244 3.4262 3.5183 3.5183 3.8350 3.8350 4.0344 4.0386 4.0524 4.0524 4.3901 4.3901 4.5251 4.5251 4.5267 4.5540 8.5476 8.5476 8.5879 8.6142 8.6292 8.6292 9.0532 9.0532 9.1028 9.1147 9.1147 9.1458 9.3511 9.3511 k = 0.3333 0.5774 0.4276 ( 10029 PWs) bands (ev): -22.3828 -22.3828 -22.3828 -22.3828 -21.9363 -21.9363 -9.0409 -9.0409 -9.0397 -9.0356 -8.6576 -8.6576 -7.4086 -7.4086 -7.2847 -7.2847 -7.2309 -7.2112 -7.0092 -7.0092 -6.8407 -6.8407 -6.8387 -6.8330 -6.3662 -6.3662 -6.3526 -6.3298 -6.3298 -6.3141 -6.1877 -6.1877 -6.0916 -6.0403 -5.9835 -5.9835 1.8411 1.9722 1.9722 1.9947 2.0262 2.0262 2.4195 2.4195 2.5838 2.5939 2.5939 2.5996 2.9680 2.9983 2.9983 3.1855 3.2058 3.2058 3.3448 3.3448 3.4315 3.4419 3.5249 3.5249 3.8264 3.8264 4.0202 4.0361 4.0458 4.0458 4.3910 4.3910 4.5305 4.5305 4.5319 4.5565 8.5780 8.5780 8.6175 8.6456 8.6593 8.6593 9.0860 9.0860 9.1258 9.1332 9.1332 9.1625 9.3657 9.3657 k = 0.3333 0.5774 0.4561 ( 10023 PWs) bands (ev): -22.3827 -22.3827 -22.3827 -22.3827 -21.9361 -21.9361 -9.0414 -9.0414 -9.0401 -9.0360 -8.6592 -8.6592 -7.4092 -7.4092 -7.2796 -7.2796 -7.2293 -7.2090 -7.0160 -7.0160 -6.8486 -6.8486 -6.8332 -6.8254 -6.3666 -6.3666 -6.3545 -6.3302 -6.3302 -6.3102 -6.1894 -6.1894 -6.1061 -6.0503 -5.9690 -5.9690 1.8325 1.9707 1.9707 1.9823 2.0207 2.0207 2.3928 2.3928 2.5681 2.5681 2.5814 2.5869 2.9573 3.0050 3.0050 3.1781 3.2088 3.2088 3.3551 3.3551 3.4372 3.4589 3.5307 3.5307 3.8183 3.8183 4.0061 4.0336 4.0390 4.0390 4.3908 4.3908 4.5359 4.5359 4.5370 4.5589 8.6076 8.6076 8.6497 8.6796 8.6917 8.6917 9.1197 9.1197 9.1479 9.1506 9.1506 9.1777 9.3803 9.3803 k = 0.3333 0.5774 0.4846 ( 10017 PWs) bands (ev): -22.3826 -22.3826 -22.3826 -22.3826 -21.9359 -21.9359 -9.0419 -9.0419 -9.0404 -9.0363 -8.6610 -8.6610 -7.4096 -7.4096 -7.2743 -7.2743 -7.2279 -7.2071 -7.0231 -7.0231 -6.8555 -6.8555 -6.8267 -6.8168 -6.3685 -6.3685 -6.3575 -6.3297 -6.3297 -6.3073 -6.1919 -6.1919 -6.1201 -6.0602 -5.9538 -5.9538 1.8253 1.9684 1.9684 1.9703 2.0158 2.0158 2.3677 2.3677 2.5410 2.5410 2.5730 2.5762 2.9498 3.0128 3.0128 3.1718 3.2129 3.2129 3.3653 3.3653 3.4424 3.4737 3.5350 3.5350 3.8111 3.8111 3.9935 4.0318 4.0332 4.0332 4.3892 4.3892 4.5407 4.5407 4.5417 4.5609 8.6364 8.6364 8.6842 8.7161 8.7260 8.7260 9.1538 9.1538 9.1676 9.1676 9.1695 9.1920 9.3949 9.3949 k = 0.3333 0.5774 0.5131 ( 10017 PWs) bands (ev): -22.3825 -22.3825 -22.3825 -22.3825 -21.9358 -21.9358 -9.0424 -9.0424 -9.0407 -9.0367 -8.6627 -8.6627 -7.4099 -7.4099 -7.2687 -7.2687 -7.2266 -7.2057 -7.0305 -7.0305 -6.8614 -6.8614 -6.8192 -6.8072 -6.3718 -6.3718 -6.3616 -6.3282 -6.3282 -6.3060 -6.1952 -6.1952 -6.1333 -6.0698 -5.9385 -5.9385 1.8194 1.9587 1.9656 1.9656 2.0113 2.0113 2.3444 2.3444 2.5133 2.5133 2.5582 2.5682 2.9460 3.0213 3.0213 3.1668 3.2179 3.2179 3.3753 3.3753 3.4466 3.4849 3.5372 3.5372 3.8054 3.8054 3.9838 4.0291 4.0291 4.0311 4.3863 4.3863 4.5445 4.5445 4.5456 4.5622 8.6647 8.6647 8.7208 8.7545 8.7620 8.7620 9.1808 9.1808 9.1909 9.1923 9.1923 9.2064 9.4089 9.4089 k = 0.3333 0.5774 0.5416 ( 10017 PWs) bands (ev): -22.3824 -22.3824 -22.3824 -22.3824 -21.9356 -21.9356 -9.0429 -9.0429 -9.0410 -9.0371 -8.6645 -8.6645 -7.4100 -7.4100 -7.2630 -7.2630 -7.2255 -7.2047 -7.0382 -7.0382 -6.8663 -6.8663 -6.8106 -6.7968 -6.3762 -6.3762 -6.3668 -6.3261 -6.3261 -6.3065 -6.1991 -6.1991 -6.1450 -6.0789 -5.9232 -5.9232 1.8148 1.9475 1.9625 1.9625 2.0070 2.0070 2.3229 2.3229 2.4854 2.4854 2.5428 2.5575 2.9460 3.0303 3.0303 3.1631 3.2238 3.2238 3.3846 3.3846 3.4492 3.4915 3.5370 3.5370 3.8014 3.8014 3.9780 4.0276 4.0276 4.0320 4.3819 4.3819 4.5467 4.5467 4.5484 4.5627 8.6926 8.6926 8.7590 8.7945 8.7992 8.7992 9.1977 9.1977 9.2122 9.2211 9.2276 9.2276 9.4217 9.4217 k = 0.3333 0.5774 0.5701 ( 10005 PWs) bands (ev): -22.3823 -22.3823 -22.3823 -22.3823 -21.9354 -21.9354 -9.0434 -9.0434 -9.0412 -9.0375 -8.6663 -8.6663 -7.4099 -7.4099 -7.2570 -7.2570 -7.2245 -7.2041 -7.0462 -7.0462 -6.8704 -6.8704 -6.8011 -6.7855 -6.3813 -6.3813 -6.3731 -6.3233 -6.3233 -6.3095 -6.2033 -6.2033 -6.1548 -6.0875 -5.9084 -5.9084 1.8115 1.9368 1.9590 1.9590 2.0031 2.0031 2.3033 2.3033 2.4577 2.4577 2.5273 2.5447 2.9496 3.0397 3.0397 3.1606 3.2305 3.2305 3.3930 3.3930 3.4499 3.4932 3.5341 3.5341 3.7993 3.7993 3.9769 4.0292 4.0292 4.0349 4.3761 4.3761 4.5473 4.5473 4.5500 4.5622 8.7204 8.7204 8.7987 8.8359 8.8373 8.8373 9.2139 9.2139 9.2337 9.2363 9.2643 9.2643 9.4324 9.4324 k = 0.3333 0.5774 0.5986 ( 10005 PWs) bands (ev): -22.3822 -22.3822 -22.3822 -22.3822 -21.9353 -21.9353 -9.0439 -9.0439 -9.0414 -9.0379 -8.6680 -8.6680 -7.4098 -7.4098 -7.2509 -7.2509 -7.2235 -7.2040 -7.0544 -7.0544 -6.8737 -6.8737 -6.7908 -6.7736 -6.3867 -6.3867 -6.3804 -6.3202 -6.3202 -6.3151 -6.2079 -6.2079 -6.1623 -6.0956 -5.8942 -5.8942 1.8095 1.9266 1.9551 1.9551 1.9999 1.9999 2.2857 2.2857 2.4307 2.4307 2.5118 2.5304 2.9565 3.0493 3.0493 3.1591 3.2381 3.2381 3.4000 3.4000 3.4486 3.4897 3.5288 3.5288 3.7992 3.7992 3.9804 4.0343 4.0343 4.0396 4.3687 4.3687 4.5461 4.5461 4.5503 4.5607 8.7484 8.7484 8.8394 8.8761 8.8761 8.8781 9.2300 9.2300 9.2520 9.2551 9.3015 9.3015 9.4404 9.4404 k = 0.3333 0.5774 0.6271 ( 10002 PWs) bands (ev): -22.3821 -22.3821 -22.3821 -22.3821 -21.9351 -21.9351 -9.0444 -9.0444 -9.0416 -9.0383 -8.6696 -8.6696 -7.4095 -7.4095 -7.2446 -7.2446 -7.2226 -7.2041 -7.0627 -7.0627 -6.8762 -6.8762 -6.7797 -6.7613 -6.3923 -6.3923 -6.3885 -6.3234 -6.3168 -6.3168 -6.2127 -6.2127 -6.1673 -6.1030 -5.8809 -5.8809 1.8088 1.9169 1.9506 1.9506 1.9977 1.9977 2.2699 2.2699 2.4046 2.4046 2.4969 2.5153 2.9663 3.0589 3.0589 3.1583 3.2463 3.2463 3.4051 3.4051 3.4454 3.4818 3.5214 3.5214 3.8010 3.8010 3.9883 4.0428 4.0428 4.0460 4.3597 4.3597 4.5433 4.5433 4.5493 4.5581 8.7767 8.7767 8.8809 8.9153 8.9153 8.9209 9.2456 9.2456 9.2676 9.2761 9.3389 9.3389 9.4449 9.4449 k = 0.3333 0.5774 0.6556 ( 9996 PWs) bands (ev): -22.3820 -22.3820 -22.3820 -22.3820 -21.9350 -21.9350 -9.0448 -9.0448 -9.0417 -9.0387 -8.6712 -8.6712 -7.4092 -7.4092 -7.2382 -7.2382 -7.2218 -7.2046 -7.0711 -7.0711 -6.8782 -6.8782 -6.7680 -6.7487 -6.3978 -6.3978 -6.3972 -6.3342 -6.3133 -6.3133 -6.2176 -6.2176 -6.1699 -6.1099 -5.8685 -5.8685 1.8092 1.9076 1.9455 1.9455 1.9969 1.9969 2.2559 2.2559 2.3799 2.3799 2.4826 2.5001 2.9784 3.0684 3.0684 3.1579 3.2553 3.2553 3.4080 3.4080 3.4405 3.4703 3.5125 3.5125 3.8046 3.8046 3.9997 4.0539 4.0546 4.0546 4.3491 4.3491 4.5390 4.5390 4.5472 4.5545 8.8052 8.8052 8.9229 8.9545 8.9545 8.9638 9.2601 9.2601 9.2826 9.2960 9.3761 9.3761 9.4457 9.4457 k = 0.3333 0.5774 0.6841 ( 9999 PWs) bands (ev): -22.3819 -22.3819 -22.3819 -22.3819 -21.9349 -21.9349 -9.0452 -9.0452 -9.0419 -9.0392 -8.6726 -8.6726 -7.4088 -7.4088 -7.2318 -7.2318 -7.2210 -7.2053 -7.0794 -7.0794 -6.8796 -6.8796 -6.7559 -6.7362 -6.4061 -6.4030 -6.4030 -6.3468 -6.3097 -6.3097 -6.2226 -6.2226 -6.1707 -6.1162 -5.8573 -5.8573 1.8107 1.8987 1.9399 1.9399 1.9975 1.9975 2.2436 2.2436 2.3568 2.3568 2.4695 2.4852 2.9924 3.0775 3.0775 3.1574 3.2648 3.2648 3.4085 3.4085 3.4342 3.4566 3.5029 3.5029 3.8099 3.8099 4.0135 4.0627 4.0693 4.0693 4.3369 4.3369 4.5335 4.5335 4.5441 4.5501 8.8340 8.8340 8.9650 8.9936 8.9936 9.0064 9.2727 9.2727 9.2957 9.3138 9.4108 9.4108 9.4446 9.4446 k = 0.3333 0.5774 0.7126 ( 9987 PWs) bands (ev): -22.3819 -22.3819 -22.3819 -22.3819 -21.9348 -21.9348 -9.0455 -9.0455 -9.0419 -9.0396 -8.6739 -8.6739 -7.4083 -7.4083 -7.2254 -7.2254 -7.2201 -7.2063 -7.0876 -7.0876 -6.8805 -6.8805 -6.7438 -6.7242 -6.4148 -6.4078 -6.4078 -6.3606 -6.3060 -6.3060 -6.2274 -6.2274 -6.1699 -6.1220 -5.8474 -5.8474 1.8133 1.8901 1.9342 1.9342 1.9993 1.9993 2.2327 2.2327 2.3359 2.3359 2.4576 2.4713 3.0080 3.0861 3.0861 3.1562 3.2750 3.2750 3.4063 3.4063 3.4270 3.4419 3.4933 3.4933 3.8163 3.8163 4.0287 4.0718 4.0863 4.0863 4.3232 4.3232 4.5271 4.5271 4.5404 4.5452 8.8626 8.8626 9.0069 9.0321 9.0321 9.0484 9.2823 9.2823 9.3059 9.3281 9.4253 9.4253 9.4592 9.4592 k = 0.3333 0.5774 0.7411 ( 10011 PWs) bands (ev): -22.3818 -22.3818 -22.3818 -22.3818 -21.9347 -21.9347 -9.0458 -9.0458 -9.0419 -9.0399 -8.6750 -8.6750 -7.4079 -7.4079 -7.2192 -7.2192 -7.2192 -7.2074 -7.0954 -7.0954 -6.8812 -6.8812 -6.7318 -6.7131 -6.4228 -6.4121 -6.4121 -6.3749 -6.3025 -6.3025 -6.2320 -6.2320 -6.1680 -6.1275 -5.8388 -5.8388 1.8168 1.8819 1.9287 1.9287 2.0019 2.0019 2.2233 2.2233 2.3173 2.3173 2.4473 2.4587 3.0247 3.0940 3.0940 3.1540 3.2857 3.2857 3.4016 3.4016 3.4193 3.4275 3.4843 3.4843 3.8235 3.8235 4.0442 4.0807 4.1051 4.1051 4.3080 4.3080 4.5204 4.5204 4.5362 4.5400 8.8904 8.8904 9.0482 9.0699 9.0699 9.0893 9.2879 9.2879 9.3117 9.3375 9.4170 9.4170 9.4923 9.4923 k = 0.3333 0.5774 0.7696 ( 10011 PWs) bands (ev): -22.3818 -22.3818 -22.3818 -22.3818 -21.9346 -21.9346 -9.0461 -9.0461 -9.0419 -9.0403 -8.6760 -8.6760 -7.4075 -7.4075 -7.2183 -7.2132 -7.2132 -7.2086 -7.1027 -7.1027 -6.8816 -6.8816 -6.7204 -6.7035 -6.4296 -6.4157 -6.4157 -6.3891 -6.2992 -6.2992 -6.2362 -6.2362 -6.1653 -6.1325 -5.8317 -5.8317 1.8211 1.8739 1.9237 1.9237 2.0050 2.0050 2.2152 2.2152 2.3016 2.3016 2.4387 2.4478 3.0421 3.1008 3.1008 3.1500 3.2968 3.2968 3.3946 3.3946 3.4115 3.4146 3.4764 3.4764 3.8307 3.8307 4.0590 4.0885 4.1251 4.1251 4.2915 4.2915 4.5139 4.5139 4.5321 4.5349 8.9166 8.9166 9.0884 9.1064 9.1064 9.1286 9.2886 9.2886 9.3122 9.3406 9.4041 9.4041 9.5260 9.5260 k = 0.3333 0.5774 0.7981 ( 10002 PWs) bands (ev): -22.3817 -22.3817 -22.3817 -22.3817 -21.9346 -21.9346 -9.0463 -9.0463 -9.0419 -9.0406 -8.6768 -8.6768 -7.4072 -7.4072 -7.2172 -7.2099 -7.2079 -7.2079 -7.1091 -7.1091 -6.8818 -6.8818 -6.7099 -6.6958 -6.4344 -6.4187 -6.4187 -6.4026 -6.2962 -6.2962 -6.2400 -6.2400 -6.1621 -6.1373 -5.8262 -5.8262 1.8261 1.8661 1.9195 1.9195 2.0082 2.0082 2.2085 2.2085 2.2890 2.2890 2.4321 2.4389 3.0598 3.1065 3.1065 3.1437 3.3082 3.3082 3.3857 3.3857 3.4041 3.4044 3.4702 3.4702 3.8373 3.8373 4.0724 4.0946 4.1459 4.1459 4.2738 4.2738 4.5081 4.5081 4.5283 4.5303 8.9399 8.9399 9.1268 9.1412 9.1412 9.1652 9.2837 9.2837 9.3069 9.3368 9.3903 9.3903 9.5570 9.5570 k = 0.3333 0.5774 0.8266 ( 10029 PWs) bands (ev): -22.3817 -22.3817 -22.3817 -22.3817 -21.9345 -21.9345 -9.0464 -9.0464 -9.0418 -9.0409 -8.6773 -8.6773 -7.4070 -7.4070 -7.2162 -7.2112 -7.2036 -7.2036 -7.1142 -7.1142 -6.8819 -6.8819 -6.7010 -6.6908 -6.4366 -6.4208 -6.4208 -6.4145 -6.2937 -6.2937 -6.2429 -6.2429 -6.1585 -6.1419 -5.8221 -5.8221 1.8317 1.8587 1.9164 1.9164 2.0110 2.0110 2.2035 2.2035 2.2799 2.2799 2.4275 2.4320 3.0774 3.1107 3.1107 3.1349 3.3196 3.3196 3.3758 3.3758 3.3967 3.3983 3.4656 3.4656 3.8426 3.8426 4.0836 4.0984 4.1668 4.1668 4.2554 4.2554 4.5035 4.5035 4.5253 4.5266 8.9586 8.9586 9.1625 9.1734 9.1734 9.1970 9.2733 9.2733 9.2972 9.3262 9.3778 9.3778 9.5828 9.5828 k = 0.3333 0.5774 0.8551 ( 10026 PWs) bands (ev): -22.3817 -22.3817 -22.3817 -22.3817 -21.9345 -21.9345 -9.0465 -9.0465 -9.0416 -9.0412 -8.6776 -8.6776 -7.4068 -7.4068 -7.2150 -7.2125 -7.2008 -7.2008 -7.1175 -7.1175 -6.8819 -6.8819 -6.6942 -6.6888 -6.4357 -6.4244 -6.4221 -6.4221 -6.2921 -6.2921 -6.2449 -6.2449 -6.1546 -6.1463 -5.8197 -5.8197 1.8379 1.8514 1.9145 1.9145 2.0128 2.0128 2.2003 2.2003 2.2744 2.2744 2.4252 2.4274 3.0942 3.1133 3.1133 3.1235 3.3298 3.3298 3.3662 3.3662 3.3927 3.3939 3.4629 3.4629 3.8460 3.8460 4.0920 4.0994 4.1865 4.1865 4.2372 4.2372 4.5006 4.5006 4.5235 4.5241 8.9708 8.9708 9.1938 9.2015 9.2015 9.2180 9.2586 9.2586 9.2890 9.3105 9.3691 9.3691 9.6005 9.6005 k = 0.3333 0.5774 0.8836 ( 10026 PWs) bands (ev): -22.3817 -22.3817 -22.3817 -22.3817 -21.9345 -21.9345 -9.0465 -9.0465 -9.0414 -9.0414 -8.6778 -8.6778 -7.4067 -7.4067 -7.2138 -7.2138 -7.1998 -7.1998 -7.1187 -7.1187 -6.8819 -6.8819 -6.6900 -6.6900 -6.4316 -6.4316 -6.4226 -6.4226 -6.2915 -6.2915 -6.2456 -6.2456 -6.1505 -6.1505 -5.8189 -5.8189 1.8445 1.8445 1.9138 1.9138 2.0135 2.0135 2.1992 2.1992 2.2725 2.2725 2.4252 2.4252 3.1098 3.1098 3.1141 3.1141 3.3349 3.3349 3.3613 3.3613 3.3919 3.3919 3.4620 3.4620 3.8471 3.8471 4.0973 4.0973 4.1981 4.1981 4.2261 4.2261 4.4996 4.4996 4.5230 4.5230 8.9751 8.9751 9.2160 9.2160 9.2171 9.2171 9.2475 9.2475 9.2944 9.2944 9.3659 9.3659 9.6068 9.6068 Writing output data file BaI2.save init_run : 1.30s CPU 0.78s WALL ( 1 calls) electrons : 505.58s CPU 426.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.20s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 505.56s CPU 426.86s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.50s CPU 0.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.38s WALL ( 212 calls) cegterg : 434.32s CPU 385.53s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 313.17s CPU 243.21s WALL ( 5479 calls) s_psi : 20.40s CPU 17.38s WALL ( 5479 calls) g_psi : 0.40s CPU 0.32s WALL ( 4891 calls) cdiaghg : 119.25s CPU 116.74s WALL ( 5103 calls) cegterg:over : 16.26s CPU 16.12s WALL ( 4891 calls) cegterg:upda : 10.33s CPU 10.58s WALL ( 4891 calls) cegterg:last : 7.50s CPU 7.55s WALL ( 1009 calls) cdiaghg:chol : 5.21s CPU 5.17s WALL ( 5103 calls) cdiaghg:inve : 3.45s CPU 3.56s WALL ( 5103 calls) cdiaghg:para : 7.23s CPU 7.46s WALL ( 10206 calls) Called by h_psi: h_psi:vloc : 271.42s CPU 207.15s WALL ( 5479 calls) h_psi:vnl : 41.38s CPU 35.71s WALL ( 5479 calls) add_vuspsi : 23.22s CPU 19.77s WALL ( 5479 calls) General routines calbec : 18.12s CPU 15.91s WALL ( 5479 calls) fft : 0.08s CPU 0.06s WALL ( 19 calls) ffts : 0.05s CPU 0.02s WALL ( 4 calls) fftw : 262.45s CPU 199.32s WALL ( 924024 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 0.25s CPU 1.20s WALL ( 424 calls) Parallel routines fft_scatter : 144.58s CPU 127.94s WALL ( 924047 calls) PWSCF : 9m 8.21s CPU 8m11.06s WALL This run was terminated on: 20:33:23 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=