Program PWSCF v.5.4.0 starts on 10Feb2017 at 22:12:54 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 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./B2O3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 26 7 1376 599 95 Max 48 27 8 1378 615 100 Sum 1663 959 287 49595 21801 3545 bravais-lattice index = 14 lattice parameter (alat) = 8.5648 a.u. unit-cell volume = 501.4833 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.564785 celldm(2)= 1.000000 celldm(3)= 0.911019 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.482033 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.482033 0.876153 0.000000 ) a(3) = ( 0.000000 0.000000 0.911019 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.550171 -0.000000 ) b(2) = ( 0.000000 1.141353 -0.000000 ) b(3) = ( 0.000000 0.000000 1.097672 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 436 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0073342 0.0124060 -0.0000000), wk = 0.0022936 k( 3) = ( 0.0146684 0.0248120 -0.0000000), wk = 0.0022936 k( 4) = ( 0.0220027 0.0372180 -0.0000000), wk = 0.0022936 k( 5) = ( 0.0293369 0.0496241 -0.0000000), wk = 0.0022936 k( 6) = ( 0.0366711 0.0620301 -0.0000000), wk = 0.0022936 k( 7) = ( 0.0440053 0.0744361 -0.0000000), wk = 0.0022936 k( 8) = ( 0.0513396 0.0868421 -0.0000000), wk = 0.0022936 k( 9) = ( 0.0586738 0.0992481 -0.0000000), wk = 0.0022936 k( 10) = ( 0.0660080 0.1116541 -0.0000000), wk = 0.0022936 k( 11) = ( 0.0733422 0.1240602 -0.0000000), wk = 0.0022936 k( 12) = ( 0.0806765 0.1364662 -0.0000000), wk = 0.0022936 k( 13) = ( 0.0880107 0.1488722 -0.0000000), wk = 0.0022936 k( 14) = ( 0.0953449 0.1612782 -0.0000000), wk = 0.0022936 k( 15) = ( 0.1026791 0.1736842 -0.0000000), wk = 0.0022936 k( 16) = ( 0.1100134 0.1860902 -0.0000000), wk = 0.0022936 k( 17) = ( 0.1173476 0.1984962 -0.0000000), wk = 0.0022936 k( 18) = ( 0.1246818 0.2109023 -0.0000000), wk = 0.0022936 k( 19) = ( 0.1320160 0.2233083 -0.0000000), wk = 0.0022936 k( 20) = ( 0.1393503 0.2357143 -0.0000000), wk = 0.0022936 k( 21) = ( 0.1466845 0.2481203 -0.0000000), wk = 0.0022936 k( 22) = ( 0.1540187 0.2605263 -0.0000000), wk = 0.0022936 k( 23) = ( 0.1613529 0.2729323 -0.0000000), wk = 0.0022936 k( 24) = ( 0.1686872 0.2853384 -0.0000000), wk = 0.0022936 k( 25) = ( 0.1760214 0.2977444 -0.0000000), wk = 0.0022936 k( 26) = ( 0.1833556 0.3101504 -0.0000000), wk = 0.0022936 k( 27) = ( 0.1906898 0.3225564 -0.0000000), wk = 0.0022936 k( 28) = ( 0.1980241 0.3349624 -0.0000000), wk = 0.0022936 k( 29) = ( 0.2053583 0.3473684 -0.0000000), wk = 0.0022936 k( 30) = ( 0.2126925 0.3597744 -0.0000000), wk = 0.0022936 k( 31) = ( 0.2200267 0.3721805 -0.0000000), wk = 0.0022936 k( 32) = ( 0.2273609 0.3845865 -0.0000000), wk = 0.0022936 k( 33) = ( 0.2346952 0.3969925 -0.0000000), wk = 0.0022936 k( 34) = ( 0.2420294 0.4093985 -0.0000000), wk = 0.0022936 k( 35) = ( 0.2493636 0.4218045 -0.0000000), wk = 0.0022936 k( 36) = ( 0.2566978 0.4342105 -0.0000000), wk = 0.0022936 k( 37) = ( 0.2640321 0.4466166 -0.0000000), wk = 0.0022936 k( 38) = ( 0.2713663 0.4590226 -0.0000000), wk = 0.0022936 k( 39) = ( 0.2787005 0.4714286 -0.0000000), wk = 0.0022936 k( 40) = ( 0.2860347 0.4838346 -0.0000000), wk = 0.0022936 k( 41) = ( 0.2933690 0.4962406 -0.0000000), wk = 0.0022936 k( 42) = ( 0.3007032 0.5086466 -0.0000000), wk = 0.0022936 k( 43) = ( 0.3080374 0.5210526 -0.0000000), wk = 0.0022936 k( 44) = ( 0.3153716 0.5334587 -0.0000000), wk = 0.0022936 k( 45) = ( 0.3227059 0.5458647 -0.0000000), wk = 0.0022936 k( 46) = ( 0.3300401 0.5582707 -0.0000000), wk = 0.0022936 k( 47) = ( 0.3373743 0.5706767 -0.0000000), wk = 0.0022936 k( 48) = ( 0.3373743 0.5706767 -0.0000000), wk = 0.0022936 k( 49) = ( 0.3233170 0.5706767 -0.0000000), wk = 0.0022936 k( 50) = ( 0.3092598 0.5706767 -0.0000000), wk = 0.0022936 k( 51) = ( 0.2952025 0.5706767 -0.0000000), wk = 0.0022936 k( 52) = ( 0.2811453 0.5706767 -0.0000000), wk = 0.0022936 k( 53) = ( 0.2670880 0.5706767 -0.0000000), wk = 0.0022936 k( 54) = ( 0.2530307 0.5706767 -0.0000000), wk = 0.0022936 k( 55) = ( 0.2389735 0.5706767 -0.0000000), wk = 0.0022936 k( 56) = ( 0.2249162 0.5706767 -0.0000000), wk = 0.0022936 k( 57) = ( 0.2108589 0.5706767 -0.0000000), wk = 0.0022936 k( 58) = ( 0.1968017 0.5706767 -0.0000000), wk = 0.0022936 k( 59) = ( 0.1827444 0.5706767 -0.0000000), wk = 0.0022936 k( 60) = ( 0.1686872 0.5706767 -0.0000000), wk = 0.0022936 k( 61) = ( 0.1546299 0.5706767 -0.0000000), wk = 0.0022936 k( 62) = ( 0.1405726 0.5706767 -0.0000000), wk = 0.0022936 k( 63) = ( 0.1265154 0.5706767 -0.0000000), wk = 0.0022936 k( 64) = ( 0.1124581 0.5706767 -0.0000000), wk = 0.0022936 k( 65) = ( 0.0984008 0.5706767 -0.0000000), wk = 0.0022936 k( 66) = ( 0.0843436 0.5706767 -0.0000000), wk = 0.0022936 k( 67) = ( 0.0702863 0.5706767 -0.0000000), wk = 0.0022936 k( 68) = ( 0.0562291 0.5706767 -0.0000000), wk = 0.0022936 k( 69) = ( 0.0421718 0.5706767 -0.0000000), wk = 0.0022936 k( 70) = ( 0.0281145 0.5706767 -0.0000000), wk = 0.0022936 k( 71) = ( 0.0140573 0.5706767 -0.0000000), wk = 0.0022936 k( 72) = ( 0.0000000 0.5706767 -0.0000000), wk = 0.0022936 k( 73) = ( 0.0000000 0.5706767 -0.0000000), wk = 0.0022936 k( 74) = ( 0.0000000 0.5706767 0.0140727), wk = 0.0022936 k( 75) = ( 0.0000000 0.5706767 0.0281454), wk = 0.0022936 k( 76) = ( 0.0000000 0.5706767 0.0422182), wk = 0.0022936 k( 77) = ( 0.0000000 0.5706767 0.0562909), wk = 0.0022936 k( 78) = ( 0.0000000 0.5706767 0.0703636), wk = 0.0022936 k( 79) = ( 0.0000000 0.5706767 0.0844363), wk = 0.0022936 k( 80) = ( 0.0000000 0.5706767 0.0985091), wk = 0.0022936 k( 81) = ( 0.0000000 0.5706767 0.1125818), wk = 0.0022936 k( 82) = ( 0.0000000 0.5706767 0.1266545), wk = 0.0022936 k( 83) = ( 0.0000000 0.5706767 0.1407272), wk = 0.0022936 k( 84) = ( 0.0000000 0.5706767 0.1547999), wk = 0.0022936 k( 85) = ( 0.0000000 0.5706767 0.1688727), wk = 0.0022936 k( 86) = ( 0.0000000 0.5706767 0.1829454), wk = 0.0022936 k( 87) = ( 0.0000000 0.5706767 0.1970181), wk = 0.0022936 k( 88) = ( 0.0000000 0.5706767 0.2110908), wk = 0.0022936 k( 89) = ( 0.0000000 0.5706767 0.2251636), wk = 0.0022936 k( 90) = ( 0.0000000 0.5706767 0.2392363), wk = 0.0022936 k( 91) = ( 0.0000000 0.5706767 0.2533090), wk = 0.0022936 k( 92) = ( 0.0000000 0.5706767 0.2673817), wk = 0.0022936 k( 93) = ( 0.0000000 0.5706767 0.2814545), wk = 0.0022936 k( 94) = ( 0.0000000 0.5706767 0.2955272), wk = 0.0022936 k( 95) = ( 0.0000000 0.5706767 0.3095999), wk = 0.0022936 k( 96) = ( 0.0000000 0.5706767 0.3236726), wk = 0.0022936 k( 97) = ( 0.0000000 0.5706767 0.3377453), wk = 0.0022936 k( 98) = ( 0.0000000 0.5706767 0.3518181), wk = 0.0022936 k( 99) = ( 0.0000000 0.5706767 0.3658908), wk = 0.0022936 k( 100) = ( 0.0000000 0.5706767 0.3799635), wk = 0.0022936 k( 101) = ( 0.0000000 0.5706767 0.3940362), wk = 0.0022936 k( 102) = ( 0.0000000 0.5706767 0.4081089), wk = 0.0022936 k( 103) = ( 0.0000000 0.5706767 0.4221817), wk = 0.0022936 k( 104) = ( 0.0000000 0.5706767 0.4362544), wk = 0.0022936 k( 105) = ( 0.0000000 0.5706767 0.4503271), wk = 0.0022936 k( 106) = ( 0.0000000 0.5706767 0.4643998), wk = 0.0022936 k( 107) = ( 0.0000000 0.5706767 0.4784726), wk = 0.0022936 k( 108) = ( 0.0000000 0.5706767 0.4925453), wk = 0.0022936 k( 109) = ( 0.0000000 0.5706767 0.5066180), wk = 0.0022936 k( 110) = ( 0.0000000 0.5706767 0.5206907), wk = 0.0022936 k( 111) = ( 0.0000000 0.5706767 0.5347635), wk = 0.0022936 k( 112) = ( 0.0000000 0.5706767 0.5488362), wk = 0.0022936 k( 113) = ( 0.0000000 0.5706767 0.5488362), wk = 0.0022936 k( 114) = ( 0.0140573 0.5706767 0.5488362), wk = 0.0022936 k( 115) = ( 0.0281145 0.5706767 0.5488362), wk = 0.0022936 k( 116) = ( 0.0421718 0.5706767 0.5488362), wk = 0.0022936 k( 117) = ( 0.0562291 0.5706767 0.5488362), wk = 0.0022936 k( 118) = ( 0.0702863 0.5706767 0.5488362), wk = 0.0022936 k( 119) = ( 0.0843436 0.5706767 0.5488362), wk = 0.0022936 k( 120) = ( 0.0984008 0.5706767 0.5488362), wk = 0.0022936 k( 121) = ( 0.1124581 0.5706767 0.5488362), wk = 0.0022936 k( 122) = ( 0.1265154 0.5706767 0.5488362), wk = 0.0022936 k( 123) = ( 0.1405726 0.5706767 0.5488362), wk = 0.0022936 k( 124) = ( 0.1546299 0.5706767 0.5488362), wk = 0.0022936 k( 125) = ( 0.1686872 0.5706767 0.5488362), wk = 0.0022936 k( 126) = ( 0.1827444 0.5706767 0.5488362), wk = 0.0022936 k( 127) = ( 0.1968017 0.5706767 0.5488362), wk = 0.0022936 k( 128) = ( 0.2108589 0.5706767 0.5488362), wk = 0.0022936 k( 129) = ( 0.2249162 0.5706767 0.5488362), wk = 0.0022936 k( 130) = ( 0.2389735 0.5706767 0.5488362), wk = 0.0022936 k( 131) = ( 0.2530307 0.5706767 0.5488362), wk = 0.0022936 k( 132) = ( 0.2670880 0.5706767 0.5488362), wk = 0.0022936 k( 133) = ( 0.2811453 0.5706767 0.5488362), wk = 0.0022936 k( 134) = ( 0.2952025 0.5706767 0.5488362), wk = 0.0022936 k( 135) = ( 0.3092598 0.5706767 0.5488362), wk = 0.0022936 k( 136) = ( 0.3233170 0.5706767 0.5488362), wk = 0.0022936 k( 137) = ( 0.3373743 0.5706767 0.5488362), wk = 0.0022936 k( 138) = ( 0.3373743 0.5706767 0.5488362), wk = 0.0022936 k( 139) = ( 0.3300401 0.5582707 0.5488362), wk = 0.0022936 k( 140) = ( 0.3227059 0.5458647 0.5488362), wk = 0.0022936 k( 141) = ( 0.3153716 0.5334587 0.5488362), wk = 0.0022936 k( 142) = ( 0.3080374 0.5210526 0.5488362), wk = 0.0022936 k( 143) = ( 0.3007032 0.5086466 0.5488362), wk = 0.0022936 k( 144) = ( 0.2933690 0.4962406 0.5488362), wk = 0.0022936 k( 145) = ( 0.2860347 0.4838346 0.5488362), wk = 0.0022936 k( 146) = ( 0.2787005 0.4714286 0.5488362), wk = 0.0022936 k( 147) = ( 0.2713663 0.4590226 0.5488362), wk = 0.0022936 k( 148) = ( 0.2640321 0.4466166 0.5488362), wk = 0.0022936 k( 149) = ( 0.2566978 0.4342105 0.5488362), wk = 0.0022936 k( 150) = ( 0.2493636 0.4218045 0.5488362), wk = 0.0022936 k( 151) = ( 0.2420294 0.4093985 0.5488362), wk = 0.0022936 k( 152) = ( 0.2346952 0.3969925 0.5488362), wk = 0.0022936 k( 153) = ( 0.2273609 0.3845865 0.5488362), wk = 0.0022936 k( 154) = ( 0.2200267 0.3721805 0.5488362), wk = 0.0022936 k( 155) = ( 0.2126925 0.3597744 0.5488362), wk = 0.0022936 k( 156) = ( 0.2053583 0.3473684 0.5488362), wk = 0.0022936 k( 157) = ( 0.1980241 0.3349624 0.5488362), wk = 0.0022936 k( 158) = ( 0.1906898 0.3225564 0.5488362), wk = 0.0022936 k( 159) = ( 0.1833556 0.3101504 0.5488362), wk = 0.0022936 k( 160) = ( 0.1760214 0.2977444 0.5488362), wk = 0.0022936 k( 161) = ( 0.1686872 0.2853384 0.5488362), wk = 0.0022936 k( 162) = ( 0.1613529 0.2729323 0.5488362), wk = 0.0022936 k( 163) = ( 0.1540187 0.2605263 0.5488362), wk = 0.0022936 k( 164) = ( 0.1466845 0.2481203 0.5488362), wk = 0.0022936 k( 165) = ( 0.1393503 0.2357143 0.5488362), wk = 0.0022936 k( 166) = ( 0.1320160 0.2233083 0.5488362), wk = 0.0022936 k( 167) = ( 0.1246818 0.2109023 0.5488362), wk = 0.0022936 k( 168) = ( 0.1173476 0.1984962 0.5488362), wk = 0.0022936 k( 169) = ( 0.1100134 0.1860902 0.5488362), wk = 0.0022936 k( 170) = ( 0.1026791 0.1736842 0.5488362), wk = 0.0022936 k( 171) = ( 0.0953449 0.1612782 0.5488362), wk = 0.0022936 k( 172) = ( 0.0880107 0.1488722 0.5488362), wk = 0.0022936 k( 173) = ( 0.0806765 0.1364662 0.5488362), wk = 0.0022936 k( 174) = ( 0.0733422 0.1240602 0.5488362), wk = 0.0022936 k( 175) = ( 0.0660080 0.1116541 0.5488362), wk = 0.0022936 k( 176) = ( 0.0586738 0.0992481 0.5488362), wk = 0.0022936 k( 177) = ( 0.0513396 0.0868421 0.5488362), wk = 0.0022936 k( 178) = ( 0.0440053 0.0744361 0.5488362), wk = 0.0022936 k( 179) = ( 0.0366711 0.0620301 0.5488362), wk = 0.0022936 k( 180) = ( 0.0293369 0.0496241 0.5488362), wk = 0.0022936 k( 181) = ( 0.0220027 0.0372180 0.5488362), wk = 0.0022936 k( 182) = ( 0.0146684 0.0248120 0.5488362), wk = 0.0022936 k( 183) = ( 0.0073342 0.0124060 0.5488362), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.5488362), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.5488362), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.5347635), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.5206907), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.5066180), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.4925453), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.4784726), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.4643998), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.4503271), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.4362544), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.4221817), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.4081089), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.3940362), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.3799635), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.3658908), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.3518181), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.3377453), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.3236726), wk = 0.0022936 k( 202) = ( 0.0000000 0.0000000 0.3095999), wk = 0.0022936 k( 203) = ( 0.0000000 0.0000000 0.2955272), wk = 0.0022936 k( 204) = ( 0.0000000 0.0000000 0.2814545), wk = 0.0022936 k( 205) = ( 0.0000000 0.0000000 0.2673817), wk = 0.0022936 k( 206) = ( 0.0000000 0.0000000 0.2533090), wk = 0.0022936 k( 207) = ( 0.0000000 0.0000000 0.2392363), wk = 0.0022936 k( 208) = ( 0.0000000 0.0000000 0.2251636), wk = 0.0022936 k( 209) = ( 0.0000000 0.0000000 0.2110908), wk = 0.0022936 k( 210) = ( 0.0000000 0.0000000 0.1970181), wk = 0.0022936 k( 211) = ( 0.0000000 0.0000000 0.1829454), wk = 0.0022936 k( 212) = ( 0.0000000 0.0000000 0.1688727), wk = 0.0022936 k( 213) = ( 0.0000000 0.0000000 0.1547999), wk = 0.0022936 k( 214) = ( 0.0000000 0.0000000 0.1407272), wk = 0.0022936 k( 215) = ( 0.0000000 0.0000000 0.1266545), wk = 0.0022936 k( 216) = ( 0.0000000 0.0000000 0.1125818), wk = 0.0022936 k( 217) = ( 0.0000000 0.0000000 0.0985091), wk = 0.0022936 k( 218) = ( 0.0000000 0.0000000 0.0844363), wk = 0.0022936 k( 219) = ( 0.0000000 0.0000000 0.0703636), wk = 0.0022936 k( 220) = ( 0.0000000 0.0000000 0.0562909), wk = 0.0022936 k( 221) = ( 0.0000000 0.0000000 0.0422182), wk = 0.0022936 k( 222) = ( 0.0000000 0.0000000 0.0281454), wk = 0.0022936 k( 223) = ( 0.0000000 0.0000000 0.0140727), wk = 0.0022936 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 226) = ( -0.0121951 0.0072095 -0.0000000), wk = 0.0022936 k( 227) = ( -0.0243902 0.0144191 -0.0000000), wk = 0.0022936 k( 228) = ( -0.0365854 0.0216286 0.0000000), wk = 0.0022936 k( 229) = ( -0.0487805 0.0288382 -0.0000000), wk = 0.0022936 k( 230) = ( -0.0609756 0.0360477 -0.0000000), wk = 0.0022936 k( 231) = ( -0.0731707 0.0432573 0.0000000), wk = 0.0022936 k( 232) = ( -0.0853658 0.0504668 -0.0000000), wk = 0.0022936 k( 233) = ( -0.0975610 0.0576764 -0.0000000), wk = 0.0022936 k( 234) = ( -0.1097561 0.0648859 0.0000000), wk = 0.0022936 k( 235) = ( -0.1219512 0.0720955 -0.0000000), wk = 0.0022936 k( 236) = ( -0.1341463 0.0793050 0.0000000), wk = 0.0022936 k( 237) = ( -0.1463415 0.0865146 0.0000000), wk = 0.0022936 k( 238) = ( -0.1585366 0.0937241 0.0000000), wk = 0.0022936 k( 239) = ( -0.1707317 0.1009337 -0.0000000), wk = 0.0022936 k( 240) = ( -0.1829268 0.1081432 -0.0000000), wk = 0.0022936 k( 241) = ( -0.1951219 0.1153528 0.0000000), wk = 0.0022936 k( 242) = ( -0.2073171 0.1225623 0.0000000), wk = 0.0022936 k( 243) = ( -0.2195122 0.1297719 0.0000000), wk = 0.0022936 k( 244) = ( -0.2317073 0.1369814 -0.0000000), wk = 0.0022936 k( 245) = ( -0.2439024 0.1441909 -0.0000000), wk = 0.0022936 k( 246) = ( -0.2560976 0.1514005 0.0000000), wk = 0.0022936 k( 247) = ( -0.2682927 0.1586100 0.0000000), wk = 0.0022936 k( 248) = ( -0.2804878 0.1658196 -0.0000000), wk = 0.0022936 k( 249) = ( -0.2926829 0.1730291 -0.0000000), wk = 0.0022936 k( 250) = ( -0.3048781 0.1802387 -0.0000000), wk = 0.0022936 k( 251) = ( -0.3170732 0.1874482 0.0000000), wk = 0.0022936 k( 252) = ( -0.3292683 0.1946578 0.0000000), wk = 0.0022936 k( 253) = ( -0.3414634 0.2018673 0.0000000), wk = 0.0022936 k( 254) = ( -0.3536585 0.2090769 -0.0000000), wk = 0.0022936 k( 255) = ( -0.3658537 0.2162864 -0.0000000), wk = 0.0022936 k( 256) = ( -0.3780488 0.2234960 0.0000000), wk = 0.0022936 k( 257) = ( -0.3902439 0.2307055 0.0000000), wk = 0.0022936 k( 258) = ( -0.4024390 0.2379151 0.0000000), wk = 0.0022936 k( 259) = ( -0.4146341 0.2451246 -0.0000000), wk = 0.0022936 k( 260) = ( -0.4268293 0.2523342 -0.0000000), wk = 0.0022936 k( 261) = ( -0.4390244 0.2595437 0.0000000), wk = 0.0022936 k( 262) = ( -0.4512195 0.2667532 0.0000000), wk = 0.0022936 k( 263) = ( -0.4634146 0.2739628 0.0000000), wk = 0.0022936 k( 264) = ( -0.4756098 0.2811723 -0.0000000), wk = 0.0022936 k( 265) = ( -0.4878049 0.2883819 -0.0000000), wk = 0.0022936 k( 266) = ( -0.5000000 0.2955914 0.0000000), wk = 0.0022936 k( 267) = ( -0.5000000 0.2955914 0.0000000), wk = 0.0022936 k( 268) = ( -0.4929293 0.3075517 -0.0000000), wk = 0.0022936 k( 269) = ( -0.4858586 0.3195119 -0.0000000), wk = 0.0022936 k( 270) = ( -0.4787880 0.3314721 -0.0000000), wk = 0.0022936 k( 271) = ( -0.4717173 0.3434324 -0.0000000), wk = 0.0022936 k( 272) = ( -0.4646466 0.3553926 -0.0000000), wk = 0.0022936 k( 273) = ( -0.4575759 0.3673528 -0.0000000), wk = 0.0022936 k( 274) = ( -0.4505052 0.3793130 -0.0000000), wk = 0.0022936 k( 275) = ( -0.4434345 0.3912733 -0.0000000), wk = 0.0022936 k( 276) = ( -0.4363639 0.4032335 -0.0000000), wk = 0.0022936 k( 277) = ( -0.4292932 0.4151937 -0.0000000), wk = 0.0022936 k( 278) = ( -0.4222225 0.4271540 -0.0000000), wk = 0.0022936 k( 279) = ( -0.4151518 0.4391142 -0.0000000), wk = 0.0022936 k( 280) = ( -0.4080811 0.4510744 -0.0000000), wk = 0.0022936 k( 281) = ( -0.4010104 0.4630347 -0.0000000), wk = 0.0022936 k( 282) = ( -0.3939398 0.4749949 -0.0000000), wk = 0.0022936 k( 283) = ( -0.3868691 0.4869551 -0.0000000), wk = 0.0022936 k( 284) = ( -0.3797984 0.4989153 -0.0000000), wk = 0.0022936 k( 285) = ( -0.3727277 0.5108756 -0.0000000), wk = 0.0022936 k( 286) = ( -0.3656570 0.5228358 -0.0000000), wk = 0.0022936 k( 287) = ( -0.3585863 0.5347960 -0.0000000), wk = 0.0022936 k( 288) = ( -0.3515157 0.5467563 -0.0000000), wk = 0.0022936 k( 289) = ( -0.3444450 0.5587165 -0.0000000), wk = 0.0022936 k( 290) = ( -0.3373743 0.5706767 -0.0000000), wk = 0.0022936 k( 291) = ( -0.3373743 0.5706767 -0.0000000), wk = 0.0022936 k( 292) = ( -0.3373743 0.5706767 0.0140727), wk = 0.0022936 k( 293) = ( -0.3373743 0.5706767 0.0281454), wk = 0.0022936 k( 294) = ( -0.3373743 0.5706767 0.0422182), wk = 0.0022936 k( 295) = ( -0.3373743 0.5706767 0.0562909), wk = 0.0022936 k( 296) = ( -0.3373743 0.5706767 0.0703636), wk = 0.0022936 k( 297) = ( -0.3373743 0.5706767 0.0844363), wk = 0.0022936 k( 298) = ( -0.3373743 0.5706767 0.0985091), wk = 0.0022936 k( 299) = ( -0.3373743 0.5706767 0.1125818), wk = 0.0022936 k( 300) = ( -0.3373743 0.5706767 0.1266545), wk = 0.0022936 k( 301) = ( -0.3373743 0.5706767 0.1407272), wk = 0.0022936 k( 302) = ( -0.3373743 0.5706767 0.1547999), wk = 0.0022936 k( 303) = ( -0.3373743 0.5706767 0.1688727), wk = 0.0022936 k( 304) = ( -0.3373743 0.5706767 0.1829454), wk = 0.0022936 k( 305) = ( -0.3373743 0.5706767 0.1970181), wk = 0.0022936 k( 306) = ( -0.3373743 0.5706767 0.2110908), wk = 0.0022936 k( 307) = ( -0.3373743 0.5706767 0.2251636), wk = 0.0022936 k( 308) = ( -0.3373743 0.5706767 0.2392363), wk = 0.0022936 k( 309) = ( -0.3373743 0.5706767 0.2533090), wk = 0.0022936 k( 310) = ( -0.3373743 0.5706767 0.2673817), wk = 0.0022936 k( 311) = ( -0.3373743 0.5706767 0.2814545), wk = 0.0022936 k( 312) = ( -0.3373743 0.5706767 0.2955272), wk = 0.0022936 k( 313) = ( -0.3373743 0.5706767 0.3095999), wk = 0.0022936 k( 314) = ( -0.3373743 0.5706767 0.3236726), wk = 0.0022936 k( 315) = ( -0.3373743 0.5706767 0.3377453), wk = 0.0022936 k( 316) = ( -0.3373743 0.5706767 0.3518181), wk = 0.0022936 k( 317) = ( -0.3373743 0.5706767 0.3658908), wk = 0.0022936 k( 318) = ( -0.3373743 0.5706767 0.3799635), wk = 0.0022936 k( 319) = ( -0.3373743 0.5706767 0.3940362), wk = 0.0022936 k( 320) = ( -0.3373743 0.5706767 0.4081089), wk = 0.0022936 k( 321) = ( -0.3373743 0.5706767 0.4221817), wk = 0.0022936 k( 322) = ( -0.3373743 0.5706767 0.4362544), wk = 0.0022936 k( 323) = ( -0.3373743 0.5706767 0.4503271), wk = 0.0022936 k( 324) = ( -0.3373743 0.5706767 0.4643998), wk = 0.0022936 k( 325) = ( -0.3373743 0.5706767 0.4784726), wk = 0.0022936 k( 326) = ( -0.3373743 0.5706767 0.4925453), wk = 0.0022936 k( 327) = ( -0.3373743 0.5706767 0.5066180), wk = 0.0022936 k( 328) = ( -0.3373743 0.5706767 0.5206907), wk = 0.0022936 k( 329) = ( -0.3373743 0.5706767 0.5347635), wk = 0.0022936 k( 330) = ( -0.3373743 0.5706767 0.5488362), wk = 0.0022936 k( 331) = ( -0.3373743 0.5706767 0.5488362), wk = 0.0022936 k( 332) = ( -0.3444450 0.5587165 0.5488362), wk = 0.0022936 k( 333) = ( -0.3515157 0.5467563 0.5488362), wk = 0.0022936 k( 334) = ( -0.3585863 0.5347960 0.5488362), wk = 0.0022936 k( 335) = ( -0.3656570 0.5228358 0.5488362), wk = 0.0022936 k( 336) = ( -0.3727277 0.5108756 0.5488362), wk = 0.0022936 k( 337) = ( -0.3797984 0.4989153 0.5488362), wk = 0.0022936 k( 338) = ( -0.3868691 0.4869551 0.5488362), wk = 0.0022936 k( 339) = ( -0.3939398 0.4749949 0.5488362), wk = 0.0022936 k( 340) = ( -0.4010104 0.4630347 0.5488362), wk = 0.0022936 k( 341) = ( -0.4080811 0.4510744 0.5488362), wk = 0.0022936 k( 342) = ( -0.4151518 0.4391142 0.5488362), wk = 0.0022936 k( 343) = ( -0.4222225 0.4271540 0.5488362), wk = 0.0022936 k( 344) = ( -0.4292932 0.4151937 0.5488362), wk = 0.0022936 k( 345) = ( -0.4363639 0.4032335 0.5488362), wk = 0.0022936 k( 346) = ( -0.4434345 0.3912733 0.5488362), wk = 0.0022936 k( 347) = ( -0.4505052 0.3793130 0.5488362), wk = 0.0022936 k( 348) = ( -0.4575759 0.3673528 0.5488362), wk = 0.0022936 k( 349) = ( -0.4646466 0.3553926 0.5488362), wk = 0.0022936 k( 350) = ( -0.4717173 0.3434324 0.5488362), wk = 0.0022936 k( 351) = ( -0.4787880 0.3314721 0.5488362), wk = 0.0022936 k( 352) = ( -0.4858586 0.3195119 0.5488362), wk = 0.0022936 k( 353) = ( -0.4929293 0.3075517 0.5488362), wk = 0.0022936 k( 354) = ( -0.5000000 0.2955914 0.5488362), wk = 0.0022936 k( 355) = ( -0.5000000 0.2955914 0.5488362), wk = 0.0022936 k( 356) = ( -0.5000000 0.2955914 0.5347635), wk = 0.0022936 k( 357) = ( -0.5000000 0.2955914 0.5206907), wk = 0.0022936 k( 358) = ( -0.5000000 0.2955914 0.5066180), wk = 0.0022936 k( 359) = ( -0.5000000 0.2955914 0.4925453), wk = 0.0022936 k( 360) = ( -0.5000000 0.2955914 0.4784726), wk = 0.0022936 k( 361) = ( -0.5000000 0.2955914 0.4643998), wk = 0.0022936 k( 362) = ( -0.5000000 0.2955914 0.4503271), wk = 0.0022936 k( 363) = ( -0.5000000 0.2955914 0.4362544), wk = 0.0022936 k( 364) = ( -0.5000000 0.2955914 0.4221817), wk = 0.0022936 k( 365) = ( -0.5000000 0.2955914 0.4081089), wk = 0.0022936 k( 366) = ( -0.5000000 0.2955914 0.3940362), wk = 0.0022936 k( 367) = ( -0.5000000 0.2955914 0.3799635), wk = 0.0022936 k( 368) = ( -0.5000000 0.2955914 0.3658908), wk = 0.0022936 k( 369) = ( -0.5000000 0.2955914 0.3518181), wk = 0.0022936 k( 370) = ( -0.5000000 0.2955914 0.3377453), wk = 0.0022936 k( 371) = ( -0.5000000 0.2955914 0.3236726), wk = 0.0022936 k( 372) = ( -0.5000000 0.2955914 0.3095999), wk = 0.0022936 k( 373) = ( -0.5000000 0.2955914 0.2955272), wk = 0.0022936 k( 374) = ( -0.5000000 0.2955914 0.2814545), wk = 0.0022936 k( 375) = ( -0.5000000 0.2955914 0.2673817), wk = 0.0022936 k( 376) = ( -0.5000000 0.2955914 0.2533090), wk = 0.0022936 k( 377) = ( -0.5000000 0.2955914 0.2392363), wk = 0.0022936 k( 378) = ( -0.5000000 0.2955914 0.2251636), wk = 0.0022936 k( 379) = ( -0.5000000 0.2955914 0.2110908), wk = 0.0022936 k( 380) = ( -0.5000000 0.2955914 0.1970181), wk = 0.0022936 k( 381) = ( -0.5000000 0.2955914 0.1829454), wk = 0.0022936 k( 382) = ( -0.5000000 0.2955914 0.1688727), wk = 0.0022936 k( 383) = ( -0.5000000 0.2955914 0.1547999), wk = 0.0022936 k( 384) = ( -0.5000000 0.2955914 0.1407272), wk = 0.0022936 k( 385) = ( -0.5000000 0.2955914 0.1266545), wk = 0.0022936 k( 386) = ( -0.5000000 0.2955914 0.1125818), wk = 0.0022936 k( 387) = ( -0.5000000 0.2955914 0.0985091), wk = 0.0022936 k( 388) = ( -0.5000000 0.2955914 0.0844363), wk = 0.0022936 k( 389) = ( -0.5000000 0.2955914 0.0703636), wk = 0.0022936 k( 390) = ( -0.5000000 0.2955914 0.0562909), wk = 0.0022936 k( 391) = ( -0.5000000 0.2955914 0.0422182), wk = 0.0022936 k( 392) = ( -0.5000000 0.2955914 0.0281454), wk = 0.0022936 k( 393) = ( -0.5000000 0.2955914 0.0140727), wk = 0.0022936 k( 394) = ( -0.5000000 0.2955914 0.0000000), wk = 0.0022936 k( 395) = ( 0.0000000 0.0000000 0.5488362), wk = 0.0022936 k( 396) = ( -0.0121951 0.0072095 0.5488362), wk = 0.0022936 k( 397) = ( -0.0243902 0.0144191 0.5488362), wk = 0.0022936 k( 398) = ( -0.0365854 0.0216286 0.5488362), wk = 0.0022936 k( 399) = ( -0.0487805 0.0288382 0.5488362), wk = 0.0022936 k( 400) = ( -0.0609756 0.0360477 0.5488362), wk = 0.0022936 k( 401) = ( -0.0731707 0.0432573 0.5488362), wk = 0.0022936 k( 402) = ( -0.0853658 0.0504668 0.5488362), wk = 0.0022936 k( 403) = ( -0.0975610 0.0576764 0.5488362), wk = 0.0022936 k( 404) = ( -0.1097561 0.0648859 0.5488362), wk = 0.0022936 k( 405) = ( -0.1219512 0.0720955 0.5488362), wk = 0.0022936 k( 406) = ( -0.1341463 0.0793050 0.5488362), wk = 0.0022936 k( 407) = ( -0.1463415 0.0865146 0.5488362), wk = 0.0022936 k( 408) = ( -0.1585366 0.0937241 0.5488362), wk = 0.0022936 k( 409) = ( -0.1707317 0.1009337 0.5488362), wk = 0.0022936 k( 410) = ( -0.1829268 0.1081432 0.5488362), wk = 0.0022936 k( 411) = ( -0.1951219 0.1153528 0.5488362), wk = 0.0022936 k( 412) = ( -0.2073171 0.1225623 0.5488362), wk = 0.0022936 k( 413) = ( -0.2195122 0.1297719 0.5488362), wk = 0.0022936 k( 414) = ( -0.2317073 0.1369814 0.5488362), wk = 0.0022936 k( 415) = ( -0.2439024 0.1441909 0.5488362), wk = 0.0022936 k( 416) = ( -0.2560976 0.1514005 0.5488362), wk = 0.0022936 k( 417) = ( -0.2682927 0.1586100 0.5488362), wk = 0.0022936 k( 418) = ( -0.2804878 0.1658196 0.5488362), wk = 0.0022936 k( 419) = ( -0.2926829 0.1730291 0.5488362), wk = 0.0022936 k( 420) = ( -0.3048781 0.1802387 0.5488362), wk = 0.0022936 k( 421) = ( -0.3170732 0.1874482 0.5488362), wk = 0.0022936 k( 422) = ( -0.3292683 0.1946578 0.5488362), wk = 0.0022936 k( 423) = ( -0.3414634 0.2018673 0.5488362), wk = 0.0022936 k( 424) = ( -0.3536585 0.2090769 0.5488362), wk = 0.0022936 k( 425) = ( -0.3658537 0.2162864 0.5488362), wk = 0.0022936 k( 426) = ( -0.3780488 0.2234960 0.5488362), wk = 0.0022936 k( 427) = ( -0.3902439 0.2307055 0.5488362), wk = 0.0022936 k( 428) = ( -0.4024390 0.2379151 0.5488362), wk = 0.0022936 k( 429) = ( -0.4146341 0.2451246 0.5488362), wk = 0.0022936 k( 430) = ( -0.4268293 0.2523342 0.5488362), wk = 0.0022936 k( 431) = ( -0.4390244 0.2595437 0.5488362), wk = 0.0022936 k( 432) = ( -0.4512195 0.2667532 0.5488362), wk = 0.0022936 k( 433) = ( -0.4634146 0.2739628 0.5488362), wk = 0.0022936 k( 434) = ( -0.4756098 0.2811723 0.5488362), wk = 0.0022936 k( 435) = ( -0.4878049 0.2883819 0.5488362), wk = 0.0022936 k( 436) = ( -0.5000000 0.2955914 0.5488362), wk = 0.0022936 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0073342 0.0073342 0.0000000), wk = 0.0022936 k( 3) = ( 0.0146684 0.0146684 0.0000000), wk = 0.0022936 k( 4) = ( 0.0220027 0.0220027 0.0000000), wk = 0.0022936 k( 5) = ( 0.0293369 0.0293369 0.0000000), wk = 0.0022936 k( 6) = ( 0.0366711 0.0366711 0.0000000), wk = 0.0022936 k( 7) = ( 0.0440053 0.0440053 0.0000000), wk = 0.0022936 k( 8) = ( 0.0513396 0.0513396 0.0000000), wk = 0.0022936 k( 9) = ( 0.0586738 0.0586738 0.0000000), wk = 0.0022936 k( 10) = ( 0.0660080 0.0660080 0.0000000), wk = 0.0022936 k( 11) = ( 0.0733422 0.0733422 0.0000000), wk = 0.0022936 k( 12) = ( 0.0806765 0.0806765 0.0000000), wk = 0.0022936 k( 13) = ( 0.0880107 0.0880107 0.0000000), wk = 0.0022936 k( 14) = ( 0.0953449 0.0953449 0.0000000), wk = 0.0022936 k( 15) = ( 0.1026791 0.1026791 0.0000000), wk = 0.0022936 k( 16) = ( 0.1100134 0.1100134 -0.0000000), wk = 0.0022936 k( 17) = ( 0.1173476 0.1173476 0.0000000), wk = 0.0022936 k( 18) = ( 0.1246818 0.1246818 0.0000000), wk = 0.0022936 k( 19) = ( 0.1320160 0.1320160 -0.0000000), wk = 0.0022936 k( 20) = ( 0.1393503 0.1393503 0.0000000), wk = 0.0022936 k( 21) = ( 0.1466845 0.1466845 0.0000000), wk = 0.0022936 k( 22) = ( 0.1540187 0.1540187 0.0000000), wk = 0.0022936 k( 23) = ( 0.1613529 0.1613529 0.0000000), wk = 0.0022936 k( 24) = ( 0.1686872 0.1686872 0.0000000), wk = 0.0022936 k( 25) = ( 0.1760214 0.1760214 -0.0000000), wk = 0.0022936 k( 26) = ( 0.1833556 0.1833556 0.0000000), wk = 0.0022936 k( 27) = ( 0.1906898 0.1906898 0.0000000), wk = 0.0022936 k( 28) = ( 0.1980241 0.1980241 0.0000000), wk = 0.0022936 k( 29) = ( 0.2053583 0.2053583 -0.0000000), wk = 0.0022936 k( 30) = ( 0.2126925 0.2126925 0.0000000), wk = 0.0022936 k( 31) = ( 0.2200267 0.2200267 -0.0000000), wk = 0.0022936 k( 32) = ( 0.2273609 0.2273609 -0.0000000), wk = 0.0022936 k( 33) = ( 0.2346952 0.2346952 0.0000000), wk = 0.0022936 k( 34) = ( 0.2420294 0.2420294 -0.0000000), wk = 0.0022936 k( 35) = ( 0.2493636 0.2493636 0.0000000), wk = 0.0022936 k( 36) = ( 0.2566978 0.2566978 0.0000000), wk = 0.0022936 k( 37) = ( 0.2640321 0.2640321 -0.0000000), wk = 0.0022936 k( 38) = ( 0.2713663 0.2713663 -0.0000000), wk = 0.0022936 k( 39) = ( 0.2787005 0.2787005 0.0000000), wk = 0.0022936 k( 40) = ( 0.2860347 0.2860347 0.0000000), wk = 0.0022936 k( 41) = ( 0.2933690 0.2933690 0.0000000), wk = 0.0022936 k( 42) = ( 0.3007032 0.3007032 0.0000000), wk = 0.0022936 k( 43) = ( 0.3080374 0.3080374 0.0000000), wk = 0.0022936 k( 44) = ( 0.3153716 0.3153716 0.0000000), wk = 0.0022936 k( 45) = ( 0.3227059 0.3227059 0.0000000), wk = 0.0022936 k( 46) = ( 0.3300401 0.3300401 -0.0000000), wk = 0.0022936 k( 47) = ( 0.3373743 0.3373743 0.0000000), wk = 0.0022936 k( 48) = ( 0.3373743 0.3373743 0.0000000), wk = 0.0022936 k( 49) = ( 0.3233170 0.3441504 0.0000000), wk = 0.0022936 k( 50) = ( 0.3092598 0.3509264 -0.0000000), wk = 0.0022936 k( 51) = ( 0.2952025 0.3577025 -0.0000000), wk = 0.0022936 k( 52) = ( 0.2811453 0.3644786 0.0000000), wk = 0.0022936 k( 53) = ( 0.2670880 0.3712547 -0.0000000), wk = 0.0022936 k( 54) = ( 0.2530307 0.3780307 -0.0000000), wk = 0.0022936 k( 55) = ( 0.2389735 0.3848068 0.0000000), wk = 0.0022936 k( 56) = ( 0.2249162 0.3915829 -0.0000000), wk = 0.0022936 k( 57) = ( 0.2108589 0.3983589 -0.0000000), wk = 0.0022936 k( 58) = ( 0.1968017 0.4051350 0.0000000), wk = 0.0022936 k( 59) = ( 0.1827444 0.4119111 0.0000000), wk = 0.0022936 k( 60) = ( 0.1686872 0.4186872 0.0000000), wk = 0.0022936 k( 61) = ( 0.1546299 0.4254632 -0.0000000), wk = 0.0022936 k( 62) = ( 0.1405726 0.4322393 0.0000000), wk = 0.0022936 k( 63) = ( 0.1265154 0.4390154 0.0000000), wk = 0.0022936 k( 64) = ( 0.1124581 0.4457914 0.0000000), wk = 0.0022936 k( 65) = ( 0.0984008 0.4525675 0.0000000), wk = 0.0022936 k( 66) = ( 0.0843436 0.4593436 0.0000000), wk = 0.0022936 k( 67) = ( 0.0702863 0.4661196 0.0000000), wk = 0.0022936 k( 68) = ( 0.0562291 0.4728957 0.0000000), wk = 0.0022936 k( 69) = ( 0.0421718 0.4796718 0.0000000), wk = 0.0022936 k( 70) = ( 0.0281145 0.4864479 0.0000000), wk = 0.0022936 k( 71) = ( 0.0140573 0.4932239 0.0000000), wk = 0.0022936 k( 72) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 73) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 74) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0022936 k( 75) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0022936 k( 76) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0022936 k( 77) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0022936 k( 78) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0022936 k( 79) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0022936 k( 80) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0022936 k( 81) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0022936 k( 82) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0022936 k( 83) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0022936 k( 84) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0022936 k( 85) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0022936 k( 86) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022936 k( 87) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0022936 k( 88) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0022936 k( 89) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0022936 k( 90) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0022936 k( 91) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0022936 k( 92) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0022936 k( 93) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0022936 k( 94) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0022936 k( 95) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0022936 k( 96) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0022936 k( 97) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0022936 k( 98) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0022936 k( 99) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022936 k( 100) = ( 0.0000000 0.5000000 0.3461539), wk = 0.0022936 k( 101) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0022936 k( 102) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0022936 k( 103) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0022936 k( 104) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0022936 k( 105) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0022936 k( 106) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0022936 k( 107) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0022936 k( 108) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0022936 k( 109) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0022936 k( 110) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0022936 k( 111) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0022936 k( 112) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 113) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 114) = ( 0.0140573 0.4932239 0.5000000), wk = 0.0022936 k( 115) = ( 0.0281145 0.4864479 0.5000000), wk = 0.0022936 k( 116) = ( 0.0421718 0.4796718 0.5000000), wk = 0.0022936 k( 117) = ( 0.0562291 0.4728957 0.5000000), wk = 0.0022936 k( 118) = ( 0.0702863 0.4661196 0.5000000), wk = 0.0022936 k( 119) = ( 0.0843436 0.4593436 0.5000000), wk = 0.0022936 k( 120) = ( 0.0984008 0.4525675 0.5000000), wk = 0.0022936 k( 121) = ( 0.1124581 0.4457914 0.5000000), wk = 0.0022936 k( 122) = ( 0.1265154 0.4390154 0.5000000), wk = 0.0022936 k( 123) = ( 0.1405726 0.4322393 0.5000000), wk = 0.0022936 k( 124) = ( 0.1546299 0.4254632 0.5000000), wk = 0.0022936 k( 125) = ( 0.1686872 0.4186872 0.5000000), wk = 0.0022936 k( 126) = ( 0.1827444 0.4119111 0.5000000), wk = 0.0022936 k( 127) = ( 0.1968017 0.4051350 0.5000000), wk = 0.0022936 k( 128) = ( 0.2108589 0.3983589 0.5000000), wk = 0.0022936 k( 129) = ( 0.2249162 0.3915829 0.5000000), wk = 0.0022936 k( 130) = ( 0.2389735 0.3848068 0.5000000), wk = 0.0022936 k( 131) = ( 0.2530307 0.3780307 0.5000000), wk = 0.0022936 k( 132) = ( 0.2670880 0.3712547 0.5000000), wk = 0.0022936 k( 133) = ( 0.2811453 0.3644786 0.5000000), wk = 0.0022936 k( 134) = ( 0.2952025 0.3577025 0.5000000), wk = 0.0022936 k( 135) = ( 0.3092598 0.3509264 0.5000000), wk = 0.0022936 k( 136) = ( 0.3233170 0.3441504 0.5000000), wk = 0.0022936 k( 137) = ( 0.3373743 0.3373743 0.5000000), wk = 0.0022936 k( 138) = ( 0.3373743 0.3373743 0.5000000), wk = 0.0022936 k( 139) = ( 0.3300401 0.3300401 0.5000000), wk = 0.0022936 k( 140) = ( 0.3227059 0.3227059 0.5000000), wk = 0.0022936 k( 141) = ( 0.3153716 0.3153716 0.5000000), wk = 0.0022936 k( 142) = ( 0.3080374 0.3080374 0.5000000), wk = 0.0022936 k( 143) = ( 0.3007032 0.3007032 0.5000000), wk = 0.0022936 k( 144) = ( 0.2933690 0.2933690 0.5000000), wk = 0.0022936 k( 145) = ( 0.2860347 0.2860347 0.5000000), wk = 0.0022936 k( 146) = ( 0.2787005 0.2787005 0.5000000), wk = 0.0022936 k( 147) = ( 0.2713663 0.2713663 0.5000000), wk = 0.0022936 k( 148) = ( 0.2640321 0.2640321 0.5000000), wk = 0.0022936 k( 149) = ( 0.2566978 0.2566978 0.5000000), wk = 0.0022936 k( 150) = ( 0.2493636 0.2493636 0.5000000), wk = 0.0022936 k( 151) = ( 0.2420294 0.2420294 0.5000000), wk = 0.0022936 k( 152) = ( 0.2346952 0.2346952 0.5000000), wk = 0.0022936 k( 153) = ( 0.2273609 0.2273609 0.5000000), wk = 0.0022936 k( 154) = ( 0.2200267 0.2200267 0.5000000), wk = 0.0022936 k( 155) = ( 0.2126925 0.2126925 0.5000000), wk = 0.0022936 k( 156) = ( 0.2053583 0.2053583 0.5000000), wk = 0.0022936 k( 157) = ( 0.1980241 0.1980241 0.5000000), wk = 0.0022936 k( 158) = ( 0.1906898 0.1906898 0.5000000), wk = 0.0022936 k( 159) = ( 0.1833556 0.1833556 0.5000000), wk = 0.0022936 k( 160) = ( 0.1760214 0.1760214 0.5000000), wk = 0.0022936 k( 161) = ( 0.1686872 0.1686872 0.5000000), wk = 0.0022936 k( 162) = ( 0.1613529 0.1613529 0.5000000), wk = 0.0022936 k( 163) = ( 0.1540187 0.1540187 0.5000000), wk = 0.0022936 k( 164) = ( 0.1466845 0.1466845 0.5000000), wk = 0.0022936 k( 165) = ( 0.1393503 0.1393503 0.5000000), wk = 0.0022936 k( 166) = ( 0.1320160 0.1320160 0.5000000), wk = 0.0022936 k( 167) = ( 0.1246818 0.1246818 0.5000000), wk = 0.0022936 k( 168) = ( 0.1173476 0.1173476 0.5000000), wk = 0.0022936 k( 169) = ( 0.1100134 0.1100134 0.5000000), wk = 0.0022936 k( 170) = ( 0.1026791 0.1026791 0.5000000), wk = 0.0022936 k( 171) = ( 0.0953449 0.0953449 0.5000000), wk = 0.0022936 k( 172) = ( 0.0880107 0.0880107 0.5000000), wk = 0.0022936 k( 173) = ( 0.0806765 0.0806765 0.5000000), wk = 0.0022936 k( 174) = ( 0.0733422 0.0733422 0.5000000), wk = 0.0022936 k( 175) = ( 0.0660080 0.0660080 0.5000000), wk = 0.0022936 k( 176) = ( 0.0586738 0.0586738 0.5000000), wk = 0.0022936 k( 177) = ( 0.0513396 0.0513396 0.5000000), wk = 0.0022936 k( 178) = ( 0.0440053 0.0440053 0.5000000), wk = 0.0022936 k( 179) = ( 0.0366711 0.0366711 0.5000000), wk = 0.0022936 k( 180) = ( 0.0293369 0.0293369 0.5000000), wk = 0.0022936 k( 181) = ( 0.0220027 0.0220027 0.5000000), wk = 0.0022936 k( 182) = ( 0.0146684 0.0146684 0.5000000), wk = 0.0022936 k( 183) = ( 0.0073342 0.0073342 0.5000000), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0022936 k( 202) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0022936 k( 203) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0022936 k( 204) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0022936 k( 205) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0022936 k( 206) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0022936 k( 207) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0022936 k( 208) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0022936 k( 209) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0022936 k( 210) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0022936 k( 211) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022936 k( 212) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0022936 k( 213) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0022936 k( 214) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0022936 k( 215) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0022936 k( 216) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0022936 k( 217) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0022936 k( 218) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0022936 k( 219) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0022936 k( 220) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0022936 k( 221) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0022936 k( 222) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0022936 k( 223) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0022936 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 226) = ( -0.0121951 0.0121951 -0.0000000), wk = 0.0022936 k( 227) = ( -0.0243902 0.0243902 -0.0000000), wk = 0.0022936 k( 228) = ( -0.0365854 0.0365854 0.0000000), wk = 0.0022936 k( 229) = ( -0.0487805 0.0487805 0.0000000), wk = 0.0022936 k( 230) = ( -0.0609756 0.0609756 -0.0000000), wk = 0.0022936 k( 231) = ( -0.0731707 0.0731707 0.0000000), wk = 0.0022936 k( 232) = ( -0.0853658 0.0853658 -0.0000000), wk = 0.0022936 k( 233) = ( -0.0975610 0.0975610 0.0000000), wk = 0.0022936 k( 234) = ( -0.1097561 0.1097561 0.0000000), wk = 0.0022936 k( 235) = ( -0.1219512 0.1219512 -0.0000000), wk = 0.0022936 k( 236) = ( -0.1341463 0.1341463 0.0000000), wk = 0.0022936 k( 237) = ( -0.1463415 0.1463415 0.0000000), wk = 0.0022936 k( 238) = ( -0.1585366 0.1585366 0.0000000), wk = 0.0022936 k( 239) = ( -0.1707317 0.1707317 -0.0000000), wk = 0.0022936 k( 240) = ( -0.1829268 0.1829268 -0.0000000), wk = 0.0022936 k( 241) = ( -0.1951219 0.1951219 -0.0000000), wk = 0.0022936 k( 242) = ( -0.2073171 0.2073171 0.0000000), wk = 0.0022936 k( 243) = ( -0.2195122 0.2195122 0.0000000), wk = 0.0022936 k( 244) = ( -0.2317073 0.2317073 -0.0000000), wk = 0.0022936 k( 245) = ( -0.2439024 0.2439024 -0.0000000), wk = 0.0022936 k( 246) = ( -0.2560976 0.2560976 0.0000000), wk = 0.0022936 k( 247) = ( -0.2682927 0.2682927 0.0000000), wk = 0.0022936 k( 248) = ( -0.2804878 0.2804878 -0.0000000), wk = 0.0022936 k( 249) = ( -0.2926829 0.2926829 -0.0000000), wk = 0.0022936 k( 250) = ( -0.3048781 0.3048781 -0.0000000), wk = 0.0022936 k( 251) = ( -0.3170732 0.3170732 -0.0000000), wk = 0.0022936 k( 252) = ( -0.3292683 0.3292683 0.0000000), wk = 0.0022936 k( 253) = ( -0.3414634 0.3414634 -0.0000000), wk = 0.0022936 k( 254) = ( -0.3536585 0.3536585 -0.0000000), wk = 0.0022936 k( 255) = ( -0.3658537 0.3658537 -0.0000000), wk = 0.0022936 k( 256) = ( -0.3780488 0.3780488 0.0000000), wk = 0.0022936 k( 257) = ( -0.3902439 0.3902439 -0.0000000), wk = 0.0022936 k( 258) = ( -0.4024390 0.4024390 -0.0000000), wk = 0.0022936 k( 259) = ( -0.4146341 0.4146341 -0.0000000), wk = 0.0022936 k( 260) = ( -0.4268293 0.4268293 -0.0000000), wk = 0.0022936 k( 261) = ( -0.4390244 0.4390244 -0.0000000), wk = 0.0022936 k( 262) = ( -0.4512195 0.4512195 0.0000000), wk = 0.0022936 k( 263) = ( -0.4634146 0.4634146 0.0000000), wk = 0.0022936 k( 264) = ( -0.4756098 0.4756098 -0.0000000), wk = 0.0022936 k( 265) = ( -0.4878049 0.4878049 -0.0000000), wk = 0.0022936 k( 266) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 267) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 268) = ( -0.4929293 0.5070707 -0.0000000), wk = 0.0022936 k( 269) = ( -0.4858586 0.5141414 -0.0000000), wk = 0.0022936 k( 270) = ( -0.4787880 0.5212121 0.0000000), wk = 0.0022936 k( 271) = ( -0.4717173 0.5282827 -0.0000000), wk = 0.0022936 k( 272) = ( -0.4646466 0.5353534 -0.0000000), wk = 0.0022936 k( 273) = ( -0.4575759 0.5424241 -0.0000000), wk = 0.0022936 k( 274) = ( -0.4505052 0.5494948 0.0000000), wk = 0.0022936 k( 275) = ( -0.4434345 0.5565655 0.0000000), wk = 0.0022936 k( 276) = ( -0.4363639 0.5636361 0.0000000), wk = 0.0022936 k( 277) = ( -0.4292932 0.5707068 -0.0000000), wk = 0.0022936 k( 278) = ( -0.4222225 0.5777775 -0.0000000), wk = 0.0022936 k( 279) = ( -0.4151518 0.5848482 -0.0000000), wk = 0.0022936 k( 280) = ( -0.4080811 0.5919189 -0.0000000), wk = 0.0022936 k( 281) = ( -0.4010104 0.5989896 0.0000000), wk = 0.0022936 k( 282) = ( -0.3939398 0.6060602 -0.0000000), wk = 0.0022936 k( 283) = ( -0.3868691 0.6131309 0.0000000), wk = 0.0022936 k( 284) = ( -0.3797984 0.6202016 -0.0000000), wk = 0.0022936 k( 285) = ( -0.3727277 0.6272723 -0.0000000), wk = 0.0022936 k( 286) = ( -0.3656570 0.6343430 0.0000000), wk = 0.0022936 k( 287) = ( -0.3585863 0.6414136 -0.0000000), wk = 0.0022936 k( 288) = ( -0.3515157 0.6484843 0.0000000), wk = 0.0022936 k( 289) = ( -0.3444450 0.6555550 -0.0000000), wk = 0.0022936 k( 290) = ( -0.3373743 0.6626257 -0.0000000), wk = 0.0022936 k( 291) = ( -0.3373743 0.6626257 -0.0000000), wk = 0.0022936 k( 292) = ( -0.3373743 0.6626257 0.0128205), wk = 0.0022936 k( 293) = ( -0.3373743 0.6626257 0.0256410), wk = 0.0022936 k( 294) = ( -0.3373743 0.6626257 0.0384615), wk = 0.0022936 k( 295) = ( -0.3373743 0.6626257 0.0512821), wk = 0.0022936 k( 296) = ( -0.3373743 0.6626257 0.0641026), wk = 0.0022936 k( 297) = ( -0.3373743 0.6626257 0.0769231), wk = 0.0022936 k( 298) = ( -0.3373743 0.6626257 0.0897436), wk = 0.0022936 k( 299) = ( -0.3373743 0.6626257 0.1025641), wk = 0.0022936 k( 300) = ( -0.3373743 0.6626257 0.1153846), wk = 0.0022936 k( 301) = ( -0.3373743 0.6626257 0.1282051), wk = 0.0022936 k( 302) = ( -0.3373743 0.6626257 0.1410256), wk = 0.0022936 k( 303) = ( -0.3373743 0.6626257 0.1538461), wk = 0.0022936 k( 304) = ( -0.3373743 0.6626257 0.1666667), wk = 0.0022936 k( 305) = ( -0.3373743 0.6626257 0.1794872), wk = 0.0022936 k( 306) = ( -0.3373743 0.6626257 0.1923077), wk = 0.0022936 k( 307) = ( -0.3373743 0.6626257 0.2051282), wk = 0.0022936 k( 308) = ( -0.3373743 0.6626257 0.2179487), wk = 0.0022936 k( 309) = ( -0.3373743 0.6626257 0.2307692), wk = 0.0022936 k( 310) = ( -0.3373743 0.6626257 0.2435897), wk = 0.0022936 k( 311) = ( -0.3373743 0.6626257 0.2564103), wk = 0.0022936 k( 312) = ( -0.3373743 0.6626257 0.2692308), wk = 0.0022936 k( 313) = ( -0.3373743 0.6626257 0.2820513), wk = 0.0022936 k( 314) = ( -0.3373743 0.6626257 0.2948718), wk = 0.0022936 k( 315) = ( -0.3373743 0.6626257 0.3076923), wk = 0.0022936 k( 316) = ( -0.3373743 0.6626257 0.3205128), wk = 0.0022936 k( 317) = ( -0.3373743 0.6626257 0.3333333), wk = 0.0022936 k( 318) = ( -0.3373743 0.6626257 0.3461539), wk = 0.0022936 k( 319) = ( -0.3373743 0.6626257 0.3589744), wk = 0.0022936 k( 320) = ( -0.3373743 0.6626257 0.3717949), wk = 0.0022936 k( 321) = ( -0.3373743 0.6626257 0.3846154), wk = 0.0022936 k( 322) = ( -0.3373743 0.6626257 0.3974359), wk = 0.0022936 k( 323) = ( -0.3373743 0.6626257 0.4102564), wk = 0.0022936 k( 324) = ( -0.3373743 0.6626257 0.4230769), wk = 0.0022936 k( 325) = ( -0.3373743 0.6626257 0.4358974), wk = 0.0022936 k( 326) = ( -0.3373743 0.6626257 0.4487180), wk = 0.0022936 k( 327) = ( -0.3373743 0.6626257 0.4615385), wk = 0.0022936 k( 328) = ( -0.3373743 0.6626257 0.4743590), wk = 0.0022936 k( 329) = ( -0.3373743 0.6626257 0.4871795), wk = 0.0022936 k( 330) = ( -0.3373743 0.6626257 0.5000000), wk = 0.0022936 k( 331) = ( -0.3373743 0.6626257 0.5000000), wk = 0.0022936 k( 332) = ( -0.3444450 0.6555550 0.5000000), wk = 0.0022936 k( 333) = ( -0.3515157 0.6484843 0.5000000), wk = 0.0022936 k( 334) = ( -0.3585863 0.6414136 0.5000000), wk = 0.0022936 k( 335) = ( -0.3656570 0.6343430 0.5000000), wk = 0.0022936 k( 336) = ( -0.3727277 0.6272723 0.5000000), wk = 0.0022936 k( 337) = ( -0.3797984 0.6202016 0.5000000), wk = 0.0022936 k( 338) = ( -0.3868691 0.6131309 0.5000000), wk = 0.0022936 k( 339) = ( -0.3939398 0.6060602 0.5000000), wk = 0.0022936 k( 340) = ( -0.4010104 0.5989896 0.5000000), wk = 0.0022936 k( 341) = ( -0.4080811 0.5919189 0.5000000), wk = 0.0022936 k( 342) = ( -0.4151518 0.5848482 0.5000000), wk = 0.0022936 k( 343) = ( -0.4222225 0.5777775 0.5000000), wk = 0.0022936 k( 344) = ( -0.4292932 0.5707068 0.5000000), wk = 0.0022936 k( 345) = ( -0.4363639 0.5636361 0.5000000), wk = 0.0022936 k( 346) = ( -0.4434345 0.5565655 0.5000000), wk = 0.0022936 k( 347) = ( -0.4505052 0.5494948 0.5000000), wk = 0.0022936 k( 348) = ( -0.4575759 0.5424241 0.5000000), wk = 0.0022936 k( 349) = ( -0.4646466 0.5353534 0.5000000), wk = 0.0022936 k( 350) = ( -0.4717173 0.5282827 0.5000000), wk = 0.0022936 k( 351) = ( -0.4787880 0.5212121 0.5000000), wk = 0.0022936 k( 352) = ( -0.4858586 0.5141414 0.5000000), wk = 0.0022936 k( 353) = ( -0.4929293 0.5070707 0.5000000), wk = 0.0022936 k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 355) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 356) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0022936 k( 357) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0022936 k( 358) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0022936 k( 359) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0022936 k( 360) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0022936 k( 361) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0022936 k( 362) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0022936 k( 363) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0022936 k( 364) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0022936 k( 365) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0022936 k( 366) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0022936 k( 367) = ( -0.5000000 0.5000000 0.3461539), wk = 0.0022936 k( 368) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0022936 k( 369) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0022936 k( 370) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0022936 k( 371) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0022936 k( 372) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0022936 k( 373) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0022936 k( 374) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0022936 k( 375) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0022936 k( 376) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0022936 k( 377) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0022936 k( 378) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0022936 k( 379) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0022936 k( 380) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0022936 k( 381) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0022936 k( 382) = ( -0.5000000 0.5000000 0.1538462), wk = 0.0022936 k( 383) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0022936 k( 384) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0022936 k( 385) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0022936 k( 386) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0022936 k( 387) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0022936 k( 388) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0022936 k( 389) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0022936 k( 390) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0022936 k( 391) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0022936 k( 392) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0022936 k( 393) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0022936 k( 394) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 395) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 396) = ( -0.0121951 0.0121951 0.5000000), wk = 0.0022936 k( 397) = ( -0.0243902 0.0243902 0.5000000), wk = 0.0022936 k( 398) = ( -0.0365854 0.0365854 0.5000000), wk = 0.0022936 k( 399) = ( -0.0487805 0.0487805 0.5000000), wk = 0.0022936 k( 400) = ( -0.0609756 0.0609756 0.5000000), wk = 0.0022936 k( 401) = ( -0.0731707 0.0731707 0.5000000), wk = 0.0022936 k( 402) = ( -0.0853658 0.0853658 0.5000000), wk = 0.0022936 k( 403) = ( -0.0975610 0.0975610 0.5000000), wk = 0.0022936 k( 404) = ( -0.1097561 0.1097561 0.5000000), wk = 0.0022936 k( 405) = ( -0.1219512 0.1219512 0.5000000), wk = 0.0022936 k( 406) = ( -0.1341463 0.1341463 0.5000000), wk = 0.0022936 k( 407) = ( -0.1463415 0.1463415 0.5000000), wk = 0.0022936 k( 408) = ( -0.1585366 0.1585366 0.5000000), wk = 0.0022936 k( 409) = ( -0.1707317 0.1707317 0.5000000), wk = 0.0022936 k( 410) = ( -0.1829268 0.1829268 0.5000000), wk = 0.0022936 k( 411) = ( -0.1951219 0.1951219 0.5000000), wk = 0.0022936 k( 412) = ( -0.2073171 0.2073171 0.5000000), wk = 0.0022936 k( 413) = ( -0.2195122 0.2195122 0.5000000), wk = 0.0022936 k( 414) = ( -0.2317073 0.2317073 0.5000000), wk = 0.0022936 k( 415) = ( -0.2439024 0.2439024 0.5000000), wk = 0.0022936 k( 416) = ( -0.2560976 0.2560976 0.5000000), wk = 0.0022936 k( 417) = ( -0.2682927 0.2682927 0.5000000), wk = 0.0022936 k( 418) = ( -0.2804878 0.2804878 0.5000000), wk = 0.0022936 k( 419) = ( -0.2926829 0.2926829 0.5000000), wk = 0.0022936 k( 420) = ( -0.3048781 0.3048781 0.5000000), wk = 0.0022936 k( 421) = ( -0.3170732 0.3170732 0.5000000), wk = 0.0022936 k( 422) = ( -0.3292683 0.3292683 0.5000000), wk = 0.0022936 k( 423) = ( -0.3414634 0.3414634 0.5000000), wk = 0.0022936 k( 424) = ( -0.3536585 0.3536585 0.5000000), wk = 0.0022936 k( 425) = ( -0.3658537 0.3658537 0.5000000), wk = 0.0022936 k( 426) = ( -0.3780488 0.3780488 0.5000000), wk = 0.0022936 k( 427) = ( -0.3902439 0.3902439 0.5000000), wk = 0.0022936 k( 428) = ( -0.4024390 0.4024390 0.5000000), wk = 0.0022936 k( 429) = ( -0.4146341 0.4146341 0.5000000), wk = 0.0022936 k( 430) = ( -0.4268293 0.4268293 0.5000000), wk = 0.0022936 k( 431) = ( -0.4390244 0.4390244 0.5000000), wk = 0.0022936 k( 432) = ( -0.4512195 0.4512195 0.5000000), wk = 0.0022936 k( 433) = ( -0.4634146 0.4634146 0.5000000), wk = 0.0022936 k( 434) = ( -0.4756098 0.4756098 0.5000000), wk = 0.0022936 k( 435) = ( -0.4878049 0.4878049 0.5000000), wk = 0.0022936 k( 436) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022936 Dense grid: 49595 G-vectors FFT dimensions: ( 50, 50, 45) Smooth grid: 21801 G-vectors FFT dimensions: ( 40, 40, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 160, 58) NL pseudopotentials 0.17 Mb ( 80, 140) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1378) G-vector shells 0.01 Mb ( 695) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 160, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.25 Mb ( 140, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./B2O3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 8.0 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.8 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.4 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.3 secs Computing kpt #: 24 total cpu time spent up to now is 15.9 secs Computing kpt #: 25 total cpu time spent up to now is 16.7 secs Computing kpt #: 26 total cpu time spent up to now is 17.4 secs Computing kpt #: 27 total cpu time spent up to now is 18.2 secs Computing kpt #: 28 total cpu time spent up to now is 19.0 secs Computing kpt #: 29 total cpu time spent up to now is 20.1 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.7 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.4 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.1 secs Computing kpt #: 33 total cpu time spent up to now is 26.4 secs Computing kpt #: 34 total cpu time spent up to now is 27.1 secs Computing kpt #: 35 total cpu time spent up to now is 27.8 secs Computing kpt #: 36 total cpu time spent up to now is 28.5 secs Computing kpt #: 37 total cpu time spent up to now is 29.2 secs Computing kpt #: 38 total cpu time spent up to now is 29.9 secs Computing kpt #: 39 total cpu time spent up to now is 30.6 secs Computing kpt #: 40 total cpu time spent up to now is 31.3 secs Computing kpt #: 41 total cpu time spent up to now is 32.0 secs Computing kpt #: 42 total cpu time spent up to now is 32.7 secs Computing kpt #: 43 total cpu time spent up to now is 33.4 secs Computing kpt #: 44 total cpu time spent up to now is 34.1 secs Computing kpt #: 45 total cpu time spent up to now is 34.8 secs Computing kpt #: 46 total cpu time spent up to now is 35.6 secs Computing kpt #: 47 total cpu time spent up to now is 36.4 secs Computing kpt #: 48 total cpu time spent up to now is 37.2 secs Computing kpt #: 49 total cpu time spent up to now is 38.0 secs Computing kpt #: 50 total cpu time spent up to now is 38.8 secs Computing kpt #: 51 total cpu time spent up to now is 39.5 secs Computing kpt #: 52 total cpu time spent up to now is 40.3 secs Computing kpt #: 53 total cpu time spent up to now is 41.1 secs Computing kpt #: 54 total cpu time spent up to now is 41.7 secs Computing kpt #: 55 total cpu time spent up to now is 42.4 secs Computing kpt #: 56 total cpu time spent up to now is 43.1 secs Computing kpt #: 57 total cpu time spent up to now is 43.8 secs Computing kpt #: 58 total cpu time spent up to now is 44.6 secs Computing kpt #: 59 total cpu time spent up to now is 45.3 secs Computing kpt #: 60 total cpu time spent up to now is 46.1 secs Computing kpt #: 61 total cpu time spent up to now is 46.9 secs Computing kpt #: 62 total cpu time spent up to now is 47.7 secs Computing kpt #: 63 total cpu time spent up to now is 48.6 secs Computing kpt #: 64 total cpu time spent up to now is 49.4 secs Computing kpt #: 65 total cpu time spent up to now is 50.1 secs Computing kpt #: 66 total cpu time spent up to now is 50.8 secs Computing kpt #: 67 total cpu time spent up to now is 51.6 secs Computing kpt #: 68 total cpu time spent up to now is 52.3 secs Computing kpt #: 69 total cpu time spent up to now is 53.0 secs Computing kpt #: 70 total cpu time spent up to now is 53.7 secs Computing kpt #: 71 total cpu time spent up to now is 54.5 secs Computing kpt #: 72 total cpu time spent up to now is 55.2 secs Computing kpt #: 73 total cpu time spent up to now is 55.9 secs Computing kpt #: 74 total cpu time spent up to now is 56.6 secs Computing kpt #: 75 total cpu time spent up to now is 57.3 secs Computing kpt #: 76 total cpu time spent up to now is 58.0 secs Computing kpt #: 77 total cpu time spent up to now is 58.9 secs Computing kpt #: 78 total cpu time spent up to now is 59.8 secs Computing kpt #: 79 total cpu time spent up to now is 60.7 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 62.4 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.1 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.8 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.5 secs Computing kpt #: 84 total cpu time spent up to now is 69.0 secs Computing kpt #: 85 total cpu time spent up to now is 70.1 secs Computing kpt #: 86 total cpu time spent up to now is 71.2 secs Computing kpt #: 87 total cpu time spent up to now is 72.0 secs Computing kpt #: 88 total cpu time spent up to now is 72.7 secs Computing kpt #: 89 total cpu time spent up to now is 73.4 secs Computing kpt #: 90 total cpu time spent up to now is 74.1 secs Computing kpt #: 91 total cpu time spent up to now is 74.9 secs Computing kpt #: 92 total cpu time spent up to now is 75.5 secs Computing kpt #: 93 total cpu time spent up to now is 76.2 secs Computing kpt #: 94 total cpu time spent up to now is 76.9 secs Computing kpt #: 95 total cpu time spent up to now is 77.6 secs Computing kpt #: 96 total cpu time spent up to now is 78.3 secs Computing kpt #: 97 total cpu time spent up to now is 79.1 secs Computing kpt #: 98 total cpu time spent up to now is 79.7 secs Computing kpt #: 99 total cpu time spent up to now is 80.4 secs Computing kpt #: 100 total cpu time spent up to now is 81.2 secs Computing kpt #: 101 total cpu time spent up to now is 82.0 secs Computing kpt #: 102 total cpu time spent up to now is 82.6 secs Computing kpt #: 103 total cpu time spent up to now is 83.2 secs Computing kpt #: 104 total cpu time spent up to now is 83.8 secs Computing kpt #: 105 total cpu time spent up to now is 84.4 secs Computing kpt #: 106 total cpu time spent up to now is 85.0 secs Computing kpt #: 107 total cpu time spent up to now is 85.7 secs Computing kpt #: 108 total cpu time spent up to now is 86.3 secs Computing kpt #: 109 total cpu time spent up to now is 87.0 secs Computing kpt #: 110 total cpu time spent up to now is 87.7 secs Computing kpt #: 111 total cpu time spent up to now is 88.4 secs Computing kpt #: 112 total cpu time spent up to now is 89.2 secs Computing kpt #: 113 total cpu time spent up to now is 89.9 secs Computing kpt #: 114 total cpu time spent up to now is 90.6 secs Computing kpt #: 115 total cpu time spent up to now is 91.3 secs Computing kpt #: 116 total cpu time spent up to now is 92.0 secs Computing kpt #: 117 total cpu time spent up to now is 92.7 secs Computing kpt #: 118 total cpu time spent up to now is 93.5 secs Computing kpt #: 119 total cpu time spent up to now is 94.2 secs Computing kpt #: 120 total cpu time spent up to now is 94.9 secs Computing kpt #: 121 total cpu time spent up to now is 95.7 secs Computing kpt #: 122 total cpu time spent up to now is 96.4 secs Computing kpt #: 123 total cpu time spent up to now is 97.1 secs Computing kpt #: 124 total cpu time spent up to now is 97.8 secs Computing kpt #: 125 total cpu time spent up to now is 98.5 secs Computing kpt #: 126 total cpu time spent up to now is 99.3 secs Computing kpt #: 127 total cpu time spent up to now is 100.1 secs Computing kpt #: 128 total cpu time spent up to now is 100.8 secs Computing kpt #: 129 total cpu time spent up to now is 101.5 secs Computing kpt #: 130 total cpu time spent up to now is 102.2 secs Computing kpt #: 131 total cpu time spent up to now is 103.0 secs Computing kpt #: 132 total cpu time spent up to now is 103.7 secs Computing kpt #: 133 total cpu time spent up to now is 104.6 secs Computing kpt #: 134 total cpu time spent up to now is 105.5 secs Computing kpt #: 135 total cpu time spent up to now is 106.4 secs Computing kpt #: 136 total cpu time spent up to now is 107.3 secs Computing kpt #: 137 total cpu time spent up to now is 108.0 secs Computing kpt #: 138 total cpu time spent up to now is 108.9 secs Computing kpt #: 139 total cpu time spent up to now is 109.8 secs Computing kpt #: 140 total cpu time spent up to now is 110.7 secs Computing kpt #: 141 total cpu time spent up to now is 111.5 secs Computing kpt #: 142 total cpu time spent up to now is 112.3 secs Computing kpt #: 143 total cpu time spent up to now is 113.2 secs Computing kpt #: 144 total cpu time spent up to now is 114.0 secs Computing kpt #: 145 total cpu time spent up to now is 114.9 secs Computing kpt #: 146 total cpu time spent up to now is 115.6 secs Computing kpt #: 147 total cpu time spent up to now is 116.3 secs Computing kpt #: 148 total cpu time spent up to now is 117.0 secs Computing kpt #: 149 total cpu time spent up to now is 117.8 secs Computing kpt #: 150 total cpu time spent up to now is 118.7 secs Computing kpt #: 151 total cpu time spent up to now is 119.4 secs Computing kpt #: 152 total cpu time spent up to now is 120.1 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.7 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.4 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.0 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.7 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.3 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.9 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.6 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.2 secs Computing kpt #: 161 total cpu time spent up to now is 134.1 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.7 secs Computing kpt #: 163 total cpu time spent up to now is 136.5 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.2 secs Computing kpt #: 165 total cpu time spent up to now is 139.1 secs Computing kpt #: 166 total cpu time spent up to now is 140.4 secs Computing kpt #: 167 total cpu time spent up to now is 141.4 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.0 secs Computing kpt #: 169 total cpu time spent up to now is 143.8 secs Computing kpt #: 170 total cpu time spent up to now is 144.6 secs Computing kpt #: 171 total cpu time spent up to now is 145.3 secs Computing kpt #: 172 total cpu time spent up to now is 146.1 secs Computing kpt #: 173 total cpu time spent up to now is 146.8 secs Computing kpt #: 174 total cpu time spent up to now is 147.5 secs Computing kpt #: 175 total cpu time spent up to now is 148.2 secs Computing kpt #: 176 total cpu time spent up to now is 148.9 secs Computing kpt #: 177 total cpu time spent up to now is 149.6 secs Computing kpt #: 178 total cpu time spent up to now is 150.4 secs Computing kpt #: 179 total cpu time spent up to now is 151.1 secs Computing kpt #: 180 total cpu time spent up to now is 151.8 secs Computing kpt #: 181 total cpu time spent up to now is 152.5 secs Computing kpt #: 182 total cpu time spent up to now is 153.2 secs Computing kpt #: 183 total cpu time spent up to now is 153.9 secs Computing kpt #: 184 total cpu time spent up to now is 154.6 secs Computing kpt #: 185 total cpu time spent up to now is 155.3 secs Computing kpt #: 186 total cpu time spent up to now is 156.9 secs Computing kpt #: 187 total cpu time spent up to now is 157.7 secs Computing kpt #: 188 total cpu time spent up to now is 158.4 secs Computing kpt #: 189 total cpu time spent up to now is 159.0 secs Computing kpt #: 190 total cpu time spent up to now is 159.6 secs Computing kpt #: 191 total cpu time spent up to now is 160.3 secs Computing kpt #: 192 total cpu time spent up to now is 160.9 secs Computing kpt #: 193 total cpu time spent up to now is 161.4 secs Computing kpt #: 194 total cpu time spent up to now is 162.0 secs Computing kpt #: 195 total cpu time spent up to now is 162.6 secs Computing kpt #: 196 total cpu time spent up to now is 163.2 secs Computing kpt #: 197 total cpu time spent up to now is 163.8 secs Computing kpt #: 198 total cpu time spent up to now is 164.4 secs Computing kpt #: 199 total cpu time spent up to now is 165.0 secs Computing kpt #: 200 total cpu time spent up to now is 165.6 secs Computing kpt #: 201 total cpu time spent up to now is 166.2 secs Computing kpt #: 202 total cpu time spent up to now is 166.8 secs Computing kpt #: 203 total cpu time spent up to now is 167.4 secs Computing kpt #: 204 total cpu time spent up to now is 168.0 secs Computing kpt #: 205 total cpu time spent up to now is 168.6 secs Computing kpt #: 206 total cpu time spent up to now is 169.2 secs Computing kpt #: 207 total cpu time spent up to now is 169.8 secs Computing kpt #: 208 total cpu time spent up to now is 170.4 secs Computing kpt #: 209 total cpu time spent up to now is 171.1 secs Computing kpt #: 210 total cpu time spent up to now is 171.7 secs Computing kpt #: 211 total cpu time spent up to now is 172.3 secs Computing kpt #: 212 total cpu time spent up to now is 172.9 secs Computing kpt #: 213 total cpu time spent up to now is 173.5 secs Computing kpt #: 214 total cpu time spent up to now is 174.1 secs Computing kpt #: 215 total cpu time spent up to now is 174.7 secs Computing kpt #: 216 total cpu time spent up to now is 175.2 secs Computing kpt #: 217 total cpu time spent up to now is 175.8 secs Computing kpt #: 218 total cpu time spent up to now is 176.5 secs Computing kpt #: 219 total cpu time spent up to now is 177.1 secs Computing kpt #: 220 total cpu time spent up to now is 177.7 secs Computing kpt #: 221 total cpu time spent up to now is 178.3 secs Computing kpt #: 222 total cpu time spent up to now is 178.9 secs Computing kpt #: 223 total cpu time spent up to now is 179.5 secs Computing kpt #: 224 total cpu time spent up to now is 180.1 secs Computing kpt #: 225 total cpu time spent up to now is 180.7 secs Computing kpt #: 226 total cpu time spent up to now is 181.3 secs Computing kpt #: 227 total cpu time spent up to now is 181.9 secs Computing kpt #: 228 total cpu time spent up to now is 182.5 secs Computing kpt #: 229 total cpu time spent up to now is 183.1 secs Computing kpt #: 230 total cpu time spent up to now is 183.7 secs Computing kpt #: 231 total cpu time spent up to now is 184.4 secs Computing kpt #: 232 total cpu time spent up to now is 185.0 secs Computing kpt #: 233 total cpu time spent up to now is 185.8 secs Computing kpt #: 234 total cpu time spent up to now is 186.6 secs Computing kpt #: 235 total cpu time spent up to now is 187.4 secs Computing kpt #: 236 total cpu time spent up to now is 188.2 secs Computing kpt #: 237 total cpu time spent up to now is 189.1 secs Computing kpt #: 238 total cpu time spent up to now is 189.9 secs Computing kpt #: 239 total cpu time spent up to now is 190.7 secs Computing kpt #: 240 total cpu time spent up to now is 191.6 secs Computing kpt #: 241 total cpu time spent up to now is 192.4 secs Computing kpt #: 242 total cpu time spent up to now is 193.3 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.0 secs Computing kpt #: 244 total cpu time spent up to now is 195.6 secs Computing kpt #: 245 total cpu time spent up to now is 196.1 secs Computing kpt #: 246 total cpu time spent up to now is 196.7 secs Computing kpt #: 247 total cpu time spent up to now is 197.3 secs Computing kpt #: 248 total cpu time spent up to now is 197.9 secs Computing kpt #: 249 total cpu time spent up to now is 198.4 secs Computing kpt #: 250 total cpu time spent up to now is 199.0 secs Computing kpt #: 251 total cpu time spent up to now is 199.6 secs Computing kpt #: 252 total cpu time spent up to now is 200.2 secs Computing kpt #: 253 total cpu time spent up to now is 200.8 secs Computing kpt #: 254 total cpu time spent up to now is 201.4 secs Computing kpt #: 255 total cpu time spent up to now is 202.0 secs Computing kpt #: 256 total cpu time spent up to now is 202.6 secs Computing kpt #: 257 total cpu time spent up to now is 203.2 secs Computing kpt #: 258 total cpu time spent up to now is 203.8 secs Computing kpt #: 259 total cpu time spent up to now is 204.4 secs Computing kpt #: 260 total cpu time spent up to now is 205.1 secs Computing kpt #: 261 total cpu time spent up to now is 205.7 secs Computing kpt #: 262 total cpu time spent up to now is 206.3 secs Computing kpt #: 263 total cpu time spent up to now is 206.9 secs Computing kpt #: 264 total cpu time spent up to now is 207.5 secs Computing kpt #: 265 total cpu time spent up to now is 208.1 secs Computing kpt #: 266 total cpu time spent up to now is 208.7 secs Computing kpt #: 267 total cpu time spent up to now is 209.3 secs Computing kpt #: 268 total cpu time spent up to now is 209.9 secs Computing kpt #: 269 total cpu time spent up to now is 210.5 secs Computing kpt #: 270 total cpu time spent up to now is 211.1 secs Computing kpt #: 271 total cpu time spent up to now is 211.7 secs Computing kpt #: 272 total cpu time spent up to now is 212.3 secs Computing kpt #: 273 total cpu time spent up to now is 212.9 secs Computing kpt #: 274 total cpu time spent up to now is 213.5 secs Computing kpt #: 275 total cpu time spent up to now is 214.1 secs Computing kpt #: 276 total cpu time spent up to now is 214.7 secs Computing kpt #: 277 total cpu time spent up to now is 215.3 secs Computing kpt #: 278 total cpu time spent up to now is 215.9 secs Computing kpt #: 279 total cpu time spent up to now is 216.5 secs Computing kpt #: 280 total cpu time spent up to now is 217.1 secs Computing kpt #: 281 total cpu time spent up to now is 217.7 secs Computing kpt #: 282 total cpu time spent up to now is 218.4 secs Computing kpt #: 283 total cpu time spent up to now is 219.2 secs Computing kpt #: 284 total cpu time spent up to now is 220.1 secs Computing kpt #: 285 total cpu time spent up to now is 221.3 secs Computing kpt #: 286 total cpu time spent up to now is 222.3 secs Computing kpt #: 287 total cpu time spent up to now is 223.1 secs Computing kpt #: 288 total cpu time spent up to now is 223.9 secs Computing kpt #: 289 total cpu time spent up to now is 224.7 secs Computing kpt #: 290 total cpu time spent up to now is 225.5 secs Computing kpt #: 291 total cpu time spent up to now is 226.3 secs Computing kpt #: 292 total cpu time spent up to now is 227.1 secs Computing kpt #: 293 total cpu time spent up to now is 227.9 secs Computing kpt #: 294 total cpu time spent up to now is 228.7 secs Computing kpt #: 295 total cpu time spent up to now is 229.5 secs Computing kpt #: 296 total cpu time spent up to now is 230.3 secs Computing kpt #: 297 total cpu time spent up to now is 231.0 secs Computing kpt #: 298 total cpu time spent up to now is 231.8 secs Computing kpt #: 299 total cpu time spent up to now is 232.5 secs Computing kpt #: 300 total cpu time spent up to now is 233.2 secs Computing kpt #: 301 total cpu time spent up to now is 234.0 secs Computing kpt #: 302 total cpu time spent up to now is 234.7 secs Computing kpt #: 303 total cpu time spent up to now is 235.5 secs Computing kpt #: 304 total cpu time spent up to now is 236.2 secs Computing kpt #: 305 total cpu time spent up to now is 236.9 secs Computing kpt #: 306 total cpu time spent up to now is 237.7 secs Computing kpt #: 307 total cpu time spent up to now is 238.4 secs Computing kpt #: 308 total cpu time spent up to now is 239.8 secs Computing kpt #: 309 total cpu time spent up to now is 240.7 secs Computing kpt #: 310 total cpu time spent up to now is 241.6 secs Computing kpt #: 311 total cpu time spent up to now is 242.5 secs Computing kpt #: 312 total cpu time spent up to now is 243.4 secs Computing kpt #: 313 total cpu time spent up to now is 244.3 secs Computing kpt #: 314 total cpu time spent up to now is 245.1 secs Computing kpt #: 315 total cpu time spent up to now is 245.9 secs Computing kpt #: 316 total cpu time spent up to now is 246.7 secs Computing kpt #: 317 total cpu time spent up to now is 247.5 secs Computing kpt #: 318 total cpu time spent up to now is 248.3 secs Computing kpt #: 319 total cpu time spent up to now is 249.1 secs Computing kpt #: 320 total cpu time spent up to now is 249.9 secs Computing kpt #: 321 total cpu time spent up to now is 250.7 secs Computing kpt #: 322 total cpu time spent up to now is 251.6 secs Computing kpt #: 323 total cpu time spent up to now is 252.5 secs Computing kpt #: 324 total cpu time spent up to now is 253.4 secs Computing kpt #: 325 total cpu time spent up to now is 254.3 secs Computing kpt #: 326 total cpu time spent up to now is 255.2 secs Computing kpt #: 327 total cpu time spent up to now is 256.3 secs Computing kpt #: 328 total cpu time spent up to now is 257.1 secs Computing kpt #: 329 total cpu time spent up to now is 258.0 secs Computing kpt #: 330 total cpu time spent up to now is 258.9 secs Computing kpt #: 331 total cpu time spent up to now is 259.7 secs Computing kpt #: 332 total cpu time spent up to now is 260.6 secs Computing kpt #: 333 total cpu time spent up to now is 261.5 secs Computing kpt #: 334 total cpu time spent up to now is 262.4 secs Computing kpt #: 335 total cpu time spent up to now is 263.3 secs Computing kpt #: 336 total cpu time spent up to now is 264.1 secs Computing kpt #: 337 total cpu time spent up to now is 265.0 secs Computing kpt #: 338 total cpu time spent up to now is 265.7 secs Computing kpt #: 339 total cpu time spent up to now is 266.6 secs Computing kpt #: 340 total cpu time spent up to now is 267.5 secs Computing kpt #: 341 total cpu time spent up to now is 268.5 secs Computing kpt #: 342 total cpu time spent up to now is 269.5 secs Computing kpt #: 343 total cpu time spent up to now is 270.4 secs Computing kpt #: 344 total cpu time spent up to now is 271.2 secs Computing kpt #: 345 total cpu time spent up to now is 272.3 secs Computing kpt #: 346 total cpu time spent up to now is 273.4 secs Computing kpt #: 347 total cpu time spent up to now is 274.3 secs Computing kpt #: 348 total cpu time spent up to now is 275.1 secs Computing kpt #: 349 total cpu time spent up to now is 275.9 secs Computing kpt #: 350 total cpu time spent up to now is 276.7 secs Computing kpt #: 351 total cpu time spent up to now is 277.5 secs Computing kpt #: 352 total cpu time spent up to now is 278.4 secs Computing kpt #: 353 total cpu time spent up to now is 279.3 secs Computing kpt #: 354 total cpu time spent up to now is 280.2 secs Computing kpt #: 355 total cpu time spent up to now is 281.4 secs Computing kpt #: 356 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.2 secs Computing kpt #: 357 total cpu time spent up to now is 283.9 secs Computing kpt #: 358 total cpu time spent up to now is 284.6 secs Computing kpt #: 359 total cpu time spent up to now is 285.3 secs Computing kpt #: 360 total cpu time spent up to now is 286.0 secs Computing kpt #: 361 total cpu time spent up to now is 286.7 secs Computing kpt #: 362 total cpu time spent up to now is 287.3 secs Computing kpt #: 363 total cpu time spent up to now is 288.0 secs Computing kpt #: 364 total cpu time spent up to now is 288.6 secs Computing kpt #: 365 total cpu time spent up to now is 289.2 secs Computing kpt #: 366 total cpu time spent up to now is 289.8 secs Computing kpt #: 367 total cpu time spent up to now is 290.4 secs Computing kpt #: 368 total cpu time spent up to now is 291.0 secs Computing kpt #: 369 total cpu time spent up to now is 291.6 secs Computing kpt #: 370 total cpu time spent up to now is 292.2 secs Computing kpt #: 371 total cpu time spent up to now is 292.8 secs Computing kpt #: 372 total cpu time spent up to now is 293.4 secs Computing kpt #: 373 total cpu time spent up to now is 293.9 secs Computing kpt #: 374 total cpu time spent up to now is 294.5 secs Computing kpt #: 375 total cpu time spent up to now is 295.1 secs Computing kpt #: 376 total cpu time spent up to now is 295.7 secs Computing kpt #: 377 total cpu time spent up to now is 296.4 secs Computing kpt #: 378 total cpu time spent up to now is 297.1 secs Computing kpt #: 379 total cpu time spent up to now is 297.9 secs Computing kpt #: 380 total cpu time spent up to now is 298.7 secs Computing kpt #: 381 total cpu time spent up to now is 299.4 secs Computing kpt #: 382 total cpu time spent up to now is 300.2 secs Computing kpt #: 383 total cpu time spent up to now is 300.9 secs Computing kpt #: 384 total cpu time spent up to now is 301.7 secs Computing kpt #: 385 total cpu time spent up to now is 302.6 secs Computing kpt #: 386 total cpu time spent up to now is 303.3 secs Computing kpt #: 387 total cpu time spent up to now is 303.9 secs Computing kpt #: 388 total cpu time spent up to now is 304.5 secs Computing kpt #: 389 total cpu time spent up to now is 305.1 secs Computing kpt #: 390 total cpu time spent up to now is 305.7 secs Computing kpt #: 391 total cpu time spent up to now is 306.3 secs Computing kpt #: 392 total cpu time spent up to now is 306.9 secs Computing kpt #: 393 total cpu time spent up to now is 307.5 secs Computing kpt #: 394 total cpu time spent up to now is 308.1 secs Computing kpt #: 395 total cpu time spent up to now is 308.8 secs Computing kpt #: 396 total cpu time spent up to now is 309.6 secs Computing kpt #: 397 total cpu time spent up to now is 310.3 secs Computing kpt #: 398 total cpu time spent up to now is 311.0 secs Computing kpt #: 399 total cpu time spent up to now is 311.8 secs Computing kpt #: 400 total cpu time spent up to now is 312.5 secs Computing kpt #: 401 total cpu time spent up to now is 313.2 secs Computing kpt #: 402 total cpu time spent up to now is 314.0 secs Computing kpt #: 403 total cpu time spent up to now is 314.6 secs Computing kpt #: 404 total cpu time spent up to now is 315.3 secs Computing kpt #: 405 total cpu time spent up to now is 316.0 secs Computing kpt #: 406 total cpu time spent up to now is 316.8 secs Computing kpt #: 407 total cpu time spent up to now is 317.5 secs Computing kpt #: 408 total cpu time spent up to now is 318.2 secs Computing kpt #: 409 total cpu time spent up to now is 319.0 secs Computing kpt #: 410 total cpu time spent up to now is 319.7 secs Computing kpt #: 411 total cpu time spent up to now is 320.4 secs Computing kpt #: 412 total cpu time spent up to now is 321.2 secs Computing kpt #: 413 total cpu time spent up to now is 321.9 secs Computing kpt #: 414 total cpu time spent up to now is 322.7 secs Computing kpt #: 415 total cpu time spent up to now is 323.4 secs Computing kpt #: 416 total cpu time spent up to now is 324.2 secs Computing kpt #: 417 total cpu time spent up to now is 325.0 secs Computing kpt #: 418 total cpu time spent up to now is 325.8 secs Computing kpt #: 419 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.5 secs Computing kpt #: 420 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 329.1 secs Computing kpt #: 421 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.8 secs Computing kpt #: 422 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.4 secs Computing kpt #: 423 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.0 secs Computing kpt #: 424 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.6 secs Computing kpt #: 425 total cpu time spent up to now is 336.5 secs Computing kpt #: 426 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.2 secs Computing kpt #: 427 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.9 secs Computing kpt #: 428 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 341.6 secs Computing kpt #: 429 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.2 secs Computing kpt #: 430 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.8 secs Computing kpt #: 431 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 346.6 secs Computing kpt #: 432 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.3 secs Computing kpt #: 433 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.0 secs Computing kpt #: 434 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.7 secs Computing kpt #: 435 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.4 secs Computing kpt #: 436 total cpu time spent up to now is 354.2 secs ethr = 2.08E-08, avg # of iterations = 36.8 total cpu time spent up to now is 354.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2757 PWs) bands (ev): -16.1342 -16.1342 -13.1871 -13.1871 -13.0424 -13.0424 -12.8180 -12.8180 -12.0272 -12.0272 -11.9237 -11.9237 -3.9422 -3.9422 -3.6512 -3.6512 -3.4327 -3.4327 -1.8970 -1.8970 -1.4155 -1.4155 -0.7434 -0.7434 0.1561 0.1561 0.3660 0.3660 1.1155 1.1155 1.9738 1.9738 4.1166 4.1166 4.1756 4.1756 4.4415 4.4415 4.5343 4.5343 4.5577 4.5577 5.3306 5.3306 5.6102 5.6102 5.6348 5.6348 14.6214 14.6214 15.3157 15.3157 15.7413 15.7413 16.4501 16.4501 16.8163 16.8163 k = 0.0073 0.0124-0.0000 ( 2761 PWs) bands (ev): -16.1333 -16.1333 -13.1866 -13.1866 -13.0517 -13.0516 -12.8104 -12.8103 -12.0277 -12.0276 -11.9236 -11.9236 -3.9414 -3.9414 -3.6564 -3.6558 -3.4257 -3.4253 -1.8962 -1.8957 -1.4158 -1.4157 -0.7481 -0.7470 0.1555 0.1563 0.3717 0.3718 1.1142 1.1145 1.9723 1.9725 4.1158 4.1165 4.1756 4.1756 4.4411 4.4412 4.5301 4.5316 4.5572 4.5590 5.3304 5.3315 5.6020 5.6129 5.6309 5.6415 14.6239 14.6239 15.3169 15.3171 15.7405 15.7406 16.4526 16.4527 16.8158 16.8161 k = 0.0147 0.0248-0.0000 ( 2765 PWs) bands (ev): -16.1309 -16.1309 -13.1851 -13.1851 -13.0765 -13.0765 -12.7905 -12.7905 -12.0290 -12.0290 -11.9232 -11.9232 -3.9392 -3.9392 -3.6694 -3.6685 -3.4058 -3.4051 -1.8934 -1.8926 -1.4164 -1.4162 -0.7608 -0.7587 0.1550 0.1563 0.3886 0.3888 1.1106 1.1112 1.9679 1.9684 4.1143 4.1157 4.1755 4.1756 4.4402 4.4402 4.5207 4.5228 4.5567 4.5593 5.3310 5.3332 5.5914 5.6064 5.6337 5.6482 14.6313 14.6314 15.3205 15.3210 15.7384 15.7384 16.4601 16.4602 16.8145 16.8151 k = 0.0220 0.0372-0.0000 ( 2767 PWs) bands (ev): -16.1268 -16.1268 -13.1826 -13.1826 -13.1115 -13.1114 -12.7638 -12.7637 -12.0311 -12.0311 -11.9227 -11.9227 -3.9354 -3.9354 -3.6871 -3.6859 -3.3765 -3.3756 -1.8888 -1.8875 -1.4174 -1.4170 -0.7808 -0.7777 0.1550 0.1568 0.4151 0.4156 1.1048 1.1056 1.9606 1.9613 4.1119 4.1140 4.1753 4.1756 4.4385 4.4387 4.5077 4.5098 4.5544 4.5574 5.3321 5.3354 5.5788 5.5948 5.6392 5.6545 14.6437 14.6437 15.3267 15.3274 15.7348 15.7349 16.4727 16.4728 16.8125 16.8134 k = 0.0293 0.0496-0.0000 ( 2767 PWs) bands (ev): -16.1211 -16.1211 -13.1792 -13.1791 -13.1527 -13.1526 -12.7342 -12.7341 -12.0342 -12.0342 -11.9220 -11.9220 -3.9302 -3.9302 -3.7065 -3.7051 -3.3406 -3.3396 -1.8825 -1.8807 -1.4188 -1.4183 -0.8069 -0.8028 0.1564 0.1584 0.4498 0.4507 1.0966 1.0977 1.9505 1.9514 4.1084 4.1113 4.1752 4.1756 4.4363 4.4365 4.4918 4.4937 4.5497 4.5527 5.3336 5.3380 5.5643 5.5806 5.6452 5.6605 14.6609 14.6609 15.3354 15.3364 15.7298 15.7299 16.4903 16.4904 16.8099 16.8109 k = 0.0367 0.0620-0.0000 ( 2773 PWs) bands (ev): -16.1138 -16.1138 -13.1980 -13.1979 -13.1747 -13.1747 -12.7037 -12.7036 -12.0380 -12.0380 -11.9212 -11.9212 -3.9234 -3.9234 -3.7259 -3.7244 -3.3002 -3.2991 -1.8746 -1.8723 -1.4205 -1.4199 -0.8377 -0.8329 0.1593 0.1614 0.4912 0.4925 1.0862 1.0876 1.9376 1.9387 4.1037 4.1074 4.1751 4.1755 4.4332 4.4336 4.4736 4.4750 4.5422 4.5450 5.3353 5.3407 5.5479 5.5643 5.6514 5.6665 14.6826 14.6827 15.3466 15.3478 15.7234 15.7234 16.5127 16.5129 16.8064 16.8078 k = 0.0440 0.0744-0.0000 ( 2765 PWs) bands (ev): -16.1049 -16.1049 -13.2461 -13.2460 -13.1693 -13.1693 -12.6736 -12.6735 -12.0427 -12.0427 -11.9202 -11.9201 -3.9152 -3.9152 -3.7442 -3.7425 -3.2563 -3.2552 -1.8656 -1.8627 -1.4228 -1.4220 -0.8720 -0.8663 0.1641 0.1662 0.5379 0.5397 1.0736 1.0752 1.9218 1.9231 4.0976 4.1021 4.1750 4.1755 4.4289 4.4299 4.4537 4.4543 4.5324 4.5348 5.3368 5.3433 5.5298 5.5462 5.6580 5.6728 14.7089 14.7090 15.3602 15.3617 15.7155 15.7155 16.5401 16.5402 16.8023 16.8039 k = 0.0513 0.0868-0.0000 ( 2761 PWs) bands (ev): -16.0944 -16.0944 -13.2963 -13.2962 -13.1630 -13.1630 -12.6445 -12.6443 -12.0481 -12.0481 -11.9190 -11.9190 -3.9054 -3.9054 -3.7608 -3.7591 -3.2096 -3.2085 -1.8557 -1.8522 -1.4254 -1.4246 -0.9082 -0.9018 0.1706 0.1726 0.5889 0.5911 1.0587 1.0606 1.9031 1.9048 4.0897 4.0951 4.1750 4.1756 4.4201 4.4228 4.4340 4.4356 4.5205 4.5222 5.3379 5.3454 5.5099 5.5265 5.6652 5.6797 14.7393 14.7394 15.3763 15.3781 15.7061 15.7061 16.5722 16.5724 16.7975 16.7993 k = 0.0587 0.0992-0.0000 ( 2753 PWs) bands (ev): -16.0822 -16.0822 -13.3482 -13.3482 -13.1557 -13.1556 -12.6168 -12.6166 -12.0544 -12.0543 -11.9177 -11.9177 -3.8942 -3.8942 -3.7754 -3.7735 -3.1608 -3.1597 -1.8454 -1.8413 -1.4286 -1.4276 -0.9449 -0.9378 0.1789 0.1807 0.6433 0.6459 1.0416 1.0438 1.8817 1.8836 4.0797 4.0859 4.1750 4.1757 4.3999 4.4020 4.4248 4.4263 4.5070 4.5079 5.3383 5.3468 5.4887 5.5054 5.6732 5.6872 14.7736 14.7738 15.3948 15.3969 15.6952 15.6953 16.6090 16.6092 16.7919 16.7939 k = 0.0660 0.1117-0.0000 ( 2753 PWs) bands (ev): -16.0685 -16.0685 -13.4016 -13.4015 -13.1475 -13.1474 -12.5907 -12.5906 -12.0613 -12.0613 -11.9163 -11.9163 -3.8815 -3.8815 -3.7877 -3.7857 -3.1101 -3.1090 -1.8355 -1.8308 -1.4323 -1.4312 -0.9806 -0.9729 0.1889 0.1905 0.7003 0.7033 1.0223 1.0248 1.8575 1.8596 4.0672 4.0742 4.1752 4.1760 4.3735 4.3745 4.4194 4.4206 4.4926 4.4928 5.3377 5.3471 5.4662 5.4831 5.6819 5.6956 14.8115 14.8118 15.4157 15.4180 15.6828 15.6829 16.6503 16.6505 16.7856 16.7878 k = 0.0733 0.1241-0.0000 ( 2745 PWs) bands (ev): -16.0532 -16.0531 -13.4560 -13.4560 -13.1383 -13.1382 -12.5665 -12.5663 -12.0690 -12.0690 -11.9149 -11.9149 -3.8673 -3.8673 -3.7976 -3.7956 -3.0580 -3.0569 -1.8268 -1.8214 -1.4366 -1.4354 -1.0140 -1.0055 0.2005 0.2019 0.7592 0.7627 1.0009 1.0036 1.8307 1.8330 4.0517 4.0595 4.1755 4.1764 4.3440 4.3441 4.4142 4.4152 4.4772 4.4786 5.3359 5.3463 5.4428 5.4600 5.6915 5.7049 14.8527 14.8530 15.4390 15.4417 15.6690 15.6691 16.6961 16.6963 16.7786 16.7809 k = 0.0807 0.1365-0.0000 ( 2749 PWs) bands (ev): -16.0363 -16.0362 -13.5115 -13.5114 -13.1282 -13.1282 -12.5441 -12.5440 -12.0774 -12.0773 -11.9133 -11.9133 -3.8516 -3.8515 -3.8051 -3.8029 -3.0047 -3.0035 -1.8202 -1.8141 -1.4415 -1.4402 -1.0434 -1.0343 0.2137 0.2148 0.8197 0.8236 0.9772 0.9802 1.8012 1.8037 4.0329 4.0414 4.1759 4.1770 4.3110 4.3117 4.4087 4.4097 4.4624 4.4650 5.3327 5.3441 5.4188 5.4365 5.7019 5.7150 14.8969 14.8972 15.4647 15.4677 15.6536 15.6537 16.7461 16.7463 16.7707 16.7732 k = 0.0880 0.1489-0.0000 ( 2745 PWs) bands (ev): -16.0178 -16.0178 -13.5677 -13.5677 -13.1173 -13.1172 -12.5238 -12.5236 -12.0864 -12.0864 -11.9117 -11.9117 -3.8344 -3.8344 -3.8100 -3.8078 -2.9504 -2.9492 -1.8167 -1.8099 -1.4472 -1.4457 -1.0673 -1.0575 0.2283 0.2292 0.8811 0.8855 0.9514 0.9548 1.7692 1.7719 4.0104 4.0196 4.1766 4.1778 4.2753 4.2767 4.4031 4.4040 4.4490 4.4527 5.3279 5.3403 5.3947 5.4130 5.7130 5.7258 14.9435 14.9440 15.4929 15.4961 15.6369 15.6370 16.7619 16.7646 16.8003 16.8006 k = 0.0953 0.1613-0.0000 ( 2741 PWs) bands (ev): -15.9977 -15.9977 -13.6246 -13.6246 -13.1055 -13.1054 -12.5055 -12.5053 -12.0962 -12.0961 -11.9101 -11.9101 -3.8160 -3.8157 -3.8122 -3.8101 -2.8955 -2.8943 -1.8172 -1.8100 -1.4536 -1.4520 -1.0841 -1.0739 0.2443 0.2450 0.9235 0.9260 0.9444 0.9481 1.7347 1.7377 3.9840 3.9938 4.1776 4.1789 4.2371 4.2391 4.3973 4.3982 4.4374 4.4421 5.3214 5.3345 5.3714 5.3901 5.7246 5.7372 14.9923 14.9928 15.5236 15.5271 15.6187 15.6187 16.7522 16.7550 16.8585 16.8588 k = 0.1027 0.1737-0.0000 ( 2737 PWs) bands (ev): -15.9762 -15.9762 -13.6820 -13.6820 -13.0929 -13.0928 -12.4892 -12.4890 -12.1065 -12.1065 -11.9084 -11.9084 -3.8126 -3.8101 -3.7955 -3.7954 -2.8403 -2.8390 -1.8227 -1.8151 -1.4608 -1.4591 -1.0928 -1.0823 0.2616 0.2621 0.8933 0.8968 1.0063 1.0111 1.6981 1.7013 3.9536 3.9639 4.1787 4.1802 4.1968 4.1992 4.3914 4.3922 4.4279 4.4334 5.3128 5.3253 5.3505 5.3685 5.7365 5.7489 15.0429 15.0435 15.5567 15.5605 15.5991 15.5992 16.7415 16.7443 16.9205 16.9208 k = 0.1100 0.1861-0.0000 ( 2737 PWs) bands (ev): -15.9531 -15.9530 -13.7399 -13.7399 -13.0794 -13.0793 -12.4749 -12.4747 -12.1175 -12.1175 -11.9067 -11.9067 -3.8103 -3.8076 -3.7739 -3.7738 -2.7851 -2.7837 -1.8333 -1.8256 -1.4689 -1.4671 -1.0926 -1.0819 0.2803 0.2804 0.8609 0.8647 1.0690 1.0743 1.6594 1.6628 3.9190 3.9297 4.1543 4.1566 4.1809 4.1821 4.3856 4.3863 4.4205 4.4265 5.3016 5.3099 5.3352 5.3489 5.7485 5.7608 15.0949 15.0955 15.5781 15.5782 15.5926 15.5967 16.7296 16.7325 16.9860 16.9863 k = 0.1173 0.1985-0.0000 ( 2737 PWs) bands (ev): -15.9284 -15.9284 -13.7980 -13.7980 -13.0652 -13.0651 -12.4627 -12.4625 -12.1291 -12.1291 -11.9050 -11.9049 -3.8056 -3.8029 -3.7508 -3.7507 -2.7302 -2.7287 -1.8490 -1.8413 -1.4780 -1.4760 -1.0832 -1.0726 0.3001 0.3002 0.8263 0.8303 1.1317 1.1373 1.6188 1.6225 3.8804 3.8914 4.1104 4.1128 4.1828 4.1842 4.3799 4.3805 4.4152 4.4215 5.2876 5.2899 5.3243 5.3320 5.7603 5.7725 15.1478 15.1484 15.5560 15.5561 15.6310 15.6353 16.7165 16.7194 17.0549 17.0552 k = 0.1247 0.2109-0.0000 ( 2733 PWs) bands (ev): -15.9023 -15.9023 -13.8564 -13.8564 -13.0502 -13.0501 -12.4525 -12.4523 -12.1413 -12.1413 -11.9032 -11.9032 -3.7988 -3.7959 -3.7262 -3.7261 -2.6762 -2.6745 -1.8688 -1.8614 -1.4881 -1.4861 -1.0650 -1.0546 0.3208 0.3212 0.7894 0.7936 1.1940 1.2000 1.5766 1.5805 3.8378 3.8490 4.0654 4.0677 4.1852 4.1867 4.3744 4.3748 4.4116 4.4180 5.2688 5.2713 5.3146 5.3176 5.7718 5.7840 15.2013 15.2019 15.5327 15.5328 15.6721 15.6767 16.7019 16.7049 17.1269 17.1273 k = 0.1320 0.2233-0.0000 ( 2731 PWs) bands (ev): -15.8747 -15.8747 -13.9149 -13.9149 -13.0344 -13.0343 -12.4443 -12.4441 -12.1541 -12.1540 -11.9015 -11.9015 -3.7899 -3.7869 -3.7002 -3.7001 -2.6236 -2.6216 -1.8916 -1.8846 -1.4994 -1.4972 -1.0387 -1.0287 0.3428 0.3434 0.7501 0.7546 1.2559 1.2622 1.5331 1.5372 3.7913 3.8028 4.0195 4.0216 4.1882 4.1898 4.3693 4.3696 4.4096 4.4160 5.2480 5.2538 5.3047 5.3049 5.7828 5.7949 15.2550 15.2557 15.5083 15.5084 15.7161 15.7209 16.6859 16.6889 17.2017 17.2021 k = 0.1394 0.2357-0.0000 ( 2739 PWs) bands (ev): -15.8456 -15.8456 -13.9734 -13.9734 -13.0180 -13.0179 -12.4380 -12.4378 -12.1674 -12.1673 -11.8998 -11.8997 -3.7792 -3.7760 -3.6728 -3.6726 -2.5732 -2.5710 -1.9158 -1.9093 -1.5119 -1.5096 -1.0052 -0.9956 0.3657 0.3667 0.7084 0.7131 1.3170 1.3238 1.4885 1.4928 3.7414 3.7528 3.9731 3.9750 4.1915 4.1932 4.3646 4.3647 4.4087 4.4151 5.2283 5.2363 5.2926 5.2949 5.7928 5.8049 15.3087 15.3094 15.4829 15.4830 15.7629 15.7678 16.6681 16.6711 17.2791 17.2795 k = 0.1467 0.2481-0.0000 ( 2739 PWs) bands (ev): -15.8151 -15.8151 -14.0318 -14.0318 -13.0009 -13.0008 -12.4336 -12.4334 -12.1812 -12.1811 -11.8981 -11.8981 -3.7667 -3.7634 -3.6439 -3.6437 -2.5261 -2.5235 -1.9393 -1.9335 -1.5257 -1.5233 -0.9656 -0.9564 0.3897 0.3909 0.6643 0.6692 1.3773 1.3845 1.4433 1.4478 3.6881 3.6996 3.9264 3.9281 4.1954 4.1971 4.3605 4.3606 4.4089 4.4151 5.2098 5.2194 5.2808 5.2845 5.8020 5.8141 15.3621 15.3627 15.4567 15.4568 15.8126 15.8176 16.6485 16.6515 17.3585 17.3590 k = 0.1540 0.2605-0.0000 ( 2737 PWs) bands (ev): -15.7831 -15.7831 -14.0901 -14.0901 -12.9832 -12.9831 -12.4310 -12.4308 -12.1955 -12.1954 -11.8964 -11.8964 -3.7527 -3.7492 -3.6136 -3.6134 -2.4839 -2.4807 -1.9598 -1.9549 -1.5409 -1.5384 -0.9207 -0.9120 0.4147 0.4162 0.6176 0.6227 1.3968 1.4017 1.4374 1.4447 3.6321 3.6435 3.8798 3.8813 4.1997 4.2014 4.3572 4.3574 4.4097 4.4157 5.1927 5.2035 5.2691 5.2738 5.8099 5.8220 15.4150 15.4154 15.4297 15.4299 15.8651 15.8702 16.6270 16.6300 17.4395 17.4402 k = 0.1614 0.2729-0.0000 ( 2725 PWs) bands (ev): -15.7498 -15.7497 -14.1482 -14.1482 -12.9649 -12.9647 -12.4301 -12.4299 -12.2103 -12.2102 -11.8948 -11.8948 -3.7374 -3.7337 -3.5818 -3.5816 -2.4484 -2.4445 -1.9747 -1.9707 -1.5576 -1.5549 -0.8713 -0.8630 0.4406 0.4424 0.5684 0.5736 1.3510 1.3561 1.4956 1.5034 3.5736 3.5849 3.8332 3.8346 4.2044 4.2061 4.3549 4.3553 4.4109 4.4168 5.1770 5.1887 5.2574 5.2628 5.8166 5.8288 15.4021 15.4023 15.4672 15.4676 15.9204 15.9255 16.6035 16.6065 17.5217 17.5225 k = 0.1687 0.2853-0.0000 ( 2719 PWs) bands (ev): -15.7150 -15.7150 -14.2059 -14.2059 -12.9460 -12.9459 -12.4309 -12.4307 -12.2255 -12.2254 -11.8933 -11.8933 -3.7210 -3.7172 -3.5487 -3.5485 -2.4219 -2.4171 -1.9812 -1.9782 -1.5758 -1.5730 -0.8182 -0.8103 0.4673 0.4694 0.5165 0.5219 1.3051 1.3104 1.5528 1.5611 3.5132 3.5242 3.7870 3.7882 4.2095 4.2111 4.3538 4.3545 4.4124 4.4180 5.1628 5.1753 5.2457 5.2517 5.8218 5.8340 15.3740 15.3742 15.5187 15.5189 15.9783 15.9833 16.5779 16.5808 17.6042 17.6052 k = 0.1760 0.2977-0.0000 ( 2717 PWs) bands (ev): -15.6789 -15.6789 -14.2632 -14.2632 -12.9266 -12.9265 -12.4333 -12.4331 -12.2411 -12.2411 -11.8918 -11.8918 -3.7039 -3.6999 -3.5142 -3.5139 -2.4061 -2.4004 -1.9768 -1.9749 -1.5956 -1.5927 -0.7620 -0.7545 0.4620 0.4676 0.4949 0.4973 1.2595 1.2650 1.6089 1.6176 3.4511 3.4619 3.7411 3.7421 4.2149 4.2164 4.3543 4.3553 4.4139 4.4193 5.1501 5.1632 5.2339 5.2404 5.8255 5.8378 15.3455 15.3458 15.5694 15.5695 16.0388 16.0437 16.5501 16.5529 17.6863 17.6873 k = 0.1834 0.3102-0.0000 ( 2713 PWs) bands (ev): -15.6415 -15.6415 -14.3201 -14.3201 -12.9068 -12.9067 -12.4373 -12.4370 -12.2572 -12.2571 -11.8905 -11.8904 -3.6864 -3.6822 -3.4784 -3.4780 -2.4011 -2.3947 -1.9610 -1.9599 -1.6171 -1.6140 -0.7033 -0.6961 0.4049 0.4106 0.5233 0.5260 1.2145 1.2202 1.6636 1.6727 3.3880 3.3985 3.6956 3.6966 4.2204 4.2217 4.3566 4.3579 4.4151 4.4202 5.1388 5.1525 5.2223 5.2292 5.8275 5.8399 15.3168 15.3171 15.6192 15.6195 16.1015 16.1063 16.5201 16.5229 17.7664 17.7675 k = 0.1907 0.3226-0.0000 ( 2709 PWs) bands (ev): -15.6027 -15.6027 -14.3765 -14.3765 -12.8866 -12.8864 -12.4426 -12.4424 -12.2736 -12.2736 -11.8892 -11.8892 -3.6688 -3.6644 -3.4412 -3.4408 -2.4053 -2.3983 -1.9349 -1.9345 -1.6403 -1.6371 -0.6426 -0.6358 0.3452 0.3510 0.5524 0.5554 1.1703 1.1762 1.7170 1.7264 3.3241 3.3343 3.6508 3.6516 4.2261 4.2272 4.3609 4.3626 4.4160 4.4208 5.1289 5.1432 5.2108 5.2180 5.8278 5.8403 15.2880 15.2883 15.6682 15.6688 16.1664 16.1710 16.4881 16.4908 17.8424 17.8436 k = 0.1980 0.3350-0.0000 ( 2717 PWs) bands (ev): -15.5628 -15.5627 -14.4323 -14.4323 -12.8660 -12.8659 -12.4493 -12.4490 -12.2904 -12.2904 -11.8881 -11.8881 -3.6515 -3.6470 -3.4027 -3.4023 -2.4158 -2.4085 -1.9009 -1.9009 -1.6652 -1.6619 -0.5805 -0.5740 0.2830 0.2888 0.5823 0.5857 1.1270 1.1332 1.7689 1.7787 3.2600 3.2698 3.6066 3.6073 4.2319 4.2327 4.3674 4.3695 4.4163 4.4208 5.1204 5.1351 5.1995 5.2070 5.8263 5.8389 15.2591 15.2595 15.7165 15.7174 16.2331 16.2375 16.4539 16.4566 17.9099 17.9109 k = 0.2054 0.3474-0.0000 ( 2715 PWs) bands (ev): -15.5215 -15.5215 -14.4874 -14.4874 -12.8451 -12.8450 -12.4572 -12.4569 -12.3076 -12.3075 -11.8871 -11.8871 -3.6349 -3.6302 -3.3629 -3.3624 -2.4299 -2.4223 -1.8615 -1.8612 -1.6919 -1.6884 -0.5175 -0.5112 0.2183 0.2242 0.6130 0.6168 1.0848 1.0911 1.8192 1.8295 3.1959 3.2053 3.5632 3.5638 4.2379 4.2383 4.3762 4.3788 4.4158 4.4199 5.1131 5.1282 5.1885 5.1963 5.8230 5.8357 15.2304 15.2308 15.7643 15.7653 16.3014 16.3057 16.4178 16.4204 17.9605 17.9609 k = 0.2127 0.3598-0.0000 ( 2715 PWs) bands (ev): -15.4791 -15.4790 -14.5418 -14.5418 -12.8239 -12.8238 -12.4662 -12.4660 -12.3250 -12.3249 -11.8862 -11.8862 -3.6195 -3.6147 -3.3219 -3.3213 -2.4451 -2.4374 -1.8184 -1.8180 -1.7202 -1.7167 -0.4541 -0.4481 0.1513 0.1573 0.6446 0.6487 1.0438 1.0502 1.8680 1.8786 3.1321 3.1412 3.5207 3.5212 4.2442 4.2443 4.3874 4.3904 4.4144 4.4182 5.1071 5.1225 5.1779 5.1858 5.8179 5.8307 15.2020 15.2024 15.8114 15.8127 16.3709 16.3752 16.3798 16.3826 17.9904 17.9905 k = 0.2200 0.3722-0.0000 ( 2715 PWs) bands (ev): -15.4354 -15.4354 -14.5955 -14.5955 -12.8026 -12.8025 -12.4763 -12.4761 -12.3427 -12.3426 -11.8855 -11.8855 -3.6058 -3.6008 -3.2797 -3.2790 -2.4596 -2.4518 -1.7730 -1.7725 -1.7503 -1.7466 -0.3908 -0.3850 0.0822 0.0882 0.6771 0.6816 1.0038 1.0105 1.9152 1.9262 3.0691 3.0778 3.4792 3.4796 4.2506 4.2509 4.4006 4.4040 4.4121 4.4156 5.1022 5.1179 5.1677 5.1758 5.8110 5.8239 15.1739 15.1743 15.8579 15.8594 16.3402 16.3426 16.4422 16.4459 18.0092 18.0094 k = 0.2274 0.3846-0.0000 ( 2715 PWs) bands (ev): -15.3907 -15.3907 -14.6483 -14.6483 -12.7811 -12.7810 -12.4874 -12.4872 -12.3607 -12.3606 -11.8850 -11.8850 -3.5942 -3.5891 -3.2363 -3.2355 -2.4718 -2.4640 -1.7820 -1.7782 -1.7263 -1.7258 -0.3282 -0.3227 0.0110 0.0170 0.7107 0.7156 0.9650 0.9718 1.9607 1.9721 3.0071 3.0154 3.4388 3.4392 4.2577 4.2583 4.4073 4.4100 4.4174 4.4215 5.0983 5.1142 5.1581 5.1663 5.8022 5.8153 15.1463 15.1468 15.9038 15.9055 16.2992 16.3015 16.5141 16.5176 18.0245 18.0358 k = 0.2347 0.3970-0.0000 ( 2723 PWs) bands (ev): -15.3448 -15.3448 -14.7003 -14.7003 -12.7596 -12.7595 -12.4994 -12.4991 -12.3789 -12.3788 -11.8847 -11.8847 -3.5851 -3.5800 -3.1918 -3.1909 -2.4809 -2.4731 -1.8152 -1.8112 -1.6791 -1.6786 -0.2669 -0.2616 -0.0620 -0.0561 0.7455 0.7508 0.9272 0.9342 2.0046 2.0162 2.9464 2.9542 3.3996 3.3999 4.2656 4.2666 4.4025 4.4049 4.4349 4.4394 5.0954 5.1113 5.1491 5.1573 5.7917 5.8049 15.1193 15.1199 15.9490 15.9510 16.2570 16.2591 16.5866 16.5898 17.9956 18.0010 k = 0.2420 0.4094-0.0000 ( 2723 PWs) bands (ev): -15.2979 -15.2979 -14.7513 -14.7513 -12.7381 -12.7380 -12.5121 -12.5119 -12.3973 -12.3972 -11.8845 -11.8845 -3.5789 -3.5738 -3.1463 -3.1453 -2.4858 -2.4781 -1.8498 -1.8457 -1.6319 -1.6313 -0.2077 -0.2025 -0.1365 -0.1308 0.7816 0.7874 0.8905 0.8977 2.0468 2.0587 2.8872 2.8945 3.3618 3.3620 4.2745 4.2760 4.3960 4.3979 4.4547 4.4596 5.0933 5.1089 5.1410 5.1489 5.7794 5.7928 15.0930 15.0937 15.9936 15.9957 16.2138 16.2158 16.6595 16.6625 17.9499 17.9555 k = 0.2494 0.4218-0.0000 ( 2710 PWs) bands (ev): -15.2500 -15.2500 -14.8014 -14.8014 -12.7167 -12.7166 -12.5255 -12.5253 -12.4158 -12.4157 -11.8846 -11.8846 -3.5759 -3.5708 -3.0998 -3.0986 -2.4861 -2.4785 -1.8857 -1.8813 -1.5849 -1.5844 -0.2135 -0.2072 -0.1501 -0.1457 0.8191 0.8253 0.8551 0.8625 2.0873 2.0995 2.8296 2.8366 3.3255 3.3255 4.2849 4.2867 4.3878 4.3894 4.4765 4.4817 5.0918 5.1068 5.1341 5.1414 5.7656 5.7791 15.0676 15.0683 16.0374 16.0397 16.1699 16.1718 16.7325 16.7352 17.9022 17.9078 k = 0.2567 0.4342-0.0000 ( 2726 PWs) bands (ev): -15.2011 -15.2011 -14.8504 -14.8504 -12.6955 -12.6954 -12.5395 -12.5393 -12.4344 -12.4343 -11.8849 -11.8849 -3.5762 -3.5712 -3.0525 -3.0511 -2.4814 -2.4740 -1.9225 -1.9180 -1.5385 -1.5380 -0.2908 -0.2848 -0.0967 -0.0923 0.8190 0.8256 0.8609 0.8666 2.1260 2.1385 2.7740 2.7806 3.2906 3.2907 4.2965 4.2989 4.3781 4.3792 4.4999 4.5055 5.0906 5.1043 5.1287 5.1347 5.7501 5.7638 15.0432 15.0439 16.0802 16.0826 16.1257 16.1274 16.8051 16.8076 17.8525 17.8581 k = 0.2640 0.4466-0.0000 ( 2726 PWs) bands (ev): -15.1513 -15.1513 -14.8984 -14.8984 -12.6747 -12.6746 -12.5540 -12.5538 -12.4530 -12.4529 -11.8854 -11.8854 -3.5800 -3.5750 -3.0044 -3.0027 -2.4714 -2.4643 -1.9601 -1.9553 -1.4929 -1.4924 -0.3695 -0.3636 -0.0468 -0.0427 0.7847 0.7920 0.9023 0.9088 2.1631 2.1757 2.7205 2.7267 3.2573 3.2576 4.3097 4.3127 4.3668 4.3676 4.5249 4.5309 5.0895 5.1009 5.1255 5.1291 5.7333 5.7471 15.0198 15.0205 16.0812 16.0828 16.1221 16.1246 16.8771 16.8792 17.8009 17.8065 k = 0.2714 0.4590-0.0000 ( 2722 PWs) bands (ev): -15.1006 -15.1006 -14.9453 -14.9453 -12.6545 -12.6544 -12.5690 -12.5687 -12.4714 -12.4713 -11.8861 -11.8861 -3.5869 -3.5822 -2.9557 -2.9537 -2.4564 -2.4494 -1.9982 -1.9931 -1.4483 -1.4477 -0.4492 -0.4434 -0.0013 0.0026 0.7507 0.7582 0.9467 0.9536 2.1984 2.2112 2.6693 2.6750 3.2258 3.2263 4.3240 4.3281 4.3540 4.3550 4.5514 4.5578 5.0880 5.0964 5.1243 5.1248 5.7152 5.7292 14.9975 14.9983 16.0370 16.0384 16.1626 16.1652 16.9477 16.9495 17.7474 17.7531 k = 0.2787 0.4714-0.0000 ( 2726 PWs) bands (ev): -15.0491 -15.0491 -14.9911 -14.9911 -12.6352 -12.6351 -12.5842 -12.5840 -12.4894 -12.4892 -11.8871 -11.8871 -3.5970 -3.5925 -2.9067 -2.9043 -2.4362 -2.4296 -2.0364 -2.0310 -1.4047 -1.4041 -0.5297 -0.5240 0.0393 0.0431 0.7170 0.7246 0.9937 1.0009 2.2320 2.2450 2.6203 2.6256 3.1962 3.1968 4.3324 4.3377 4.3473 4.3485 4.5792 4.5859 5.0859 5.0912 5.1221 5.1246 5.6959 5.7101 14.9765 14.9773 15.9932 15.9945 16.2018 16.2044 17.0164 17.0179 17.6921 17.6977 k = 0.2860 0.4838-0.0000 ( 2720 PWs) bands (ev): -15.0357 -15.0356 -14.9968 -14.9968 -12.6177 -12.6176 -12.5998 -12.5996 -12.5061 -12.5059 -11.8883 -11.8883 -3.6099 -3.6056 -2.8576 -2.8548 -2.4114 -2.4050 -2.0742 -2.0683 -1.3622 -1.3617 -0.6109 -0.6053 0.0747 0.0784 0.6834 0.6911 1.0434 1.0509 2.2640 2.2771 2.5739 2.5787 3.1684 3.1693 4.3197 4.3226 4.3635 4.3657 4.6081 4.6151 5.0829 5.0857 5.1208 5.1258 5.6758 5.6901 14.9569 14.9577 15.9501 15.9513 16.2393 16.2419 17.0825 17.0836 17.6351 17.6407 k = 0.2934 0.4962-0.0000 ( 2718 PWs) bands (ev): -15.0790 -15.0790 -14.9438 -14.9438 -12.6155 -12.6153 -12.6037 -12.6036 -12.5199 -12.5197 -11.8897 -11.8897 -3.6251 -3.6211 -2.8088 -2.8055 -2.3821 -2.3760 -2.1111 -2.1047 -1.3210 -1.3205 -0.6926 -0.6871 0.1046 0.1081 0.6497 0.6576 1.0956 1.1033 2.2942 2.3074 2.5300 2.5344 3.1427 3.1437 4.3021 4.3050 4.3838 4.3869 4.6380 4.6453 5.0792 5.0802 5.1207 5.1275 5.6550 5.6695 14.9388 14.9396 15.9081 15.9091 16.2750 16.2776 17.1448 17.1455 17.5763 17.5819 k = 0.3007 0.5086-0.0000 ( 2722 PWs) bands (ev): -15.1212 -15.1212 -14.8902 -14.8902 -12.6313 -12.6311 -12.5972 -12.5972 -12.5268 -12.5266 -11.8914 -11.8913 -3.6425 -3.6386 -2.7610 -2.7569 -2.3489 -2.3430 -2.1462 -2.1391 -1.2810 -1.2806 -0.7746 -0.7692 0.1289 0.1324 0.6159 0.6238 1.1502 1.1581 2.3227 2.3361 2.4888 2.4927 3.1190 3.1203 4.2827 4.2860 4.4064 4.4102 4.6687 4.6764 5.0747 5.0750 5.1211 5.1292 5.6338 5.6484 14.9223 14.9231 15.8673 15.8681 16.3085 16.3111 17.2022 17.2026 17.5160 17.5214 k = 0.3080 0.5211-0.0000 ( 2724 PWs) bands (ev): -15.1620 -15.1620 -14.8360 -14.8359 -12.6472 -12.6470 -12.6019 -12.6018 -12.5233 -12.5231 -11.8932 -11.8932 -3.6614 -3.6579 -2.7151 -2.7102 -2.3120 -2.3065 -2.1785 -2.1705 -1.2424 -1.2420 -0.8569 -0.8516 0.1477 0.1510 0.5816 0.5896 1.2069 1.2150 2.3495 2.3631 2.4503 2.4536 3.0974 3.0990 4.2618 4.2656 4.4311 4.4354 4.7002 4.7081 5.0694 5.0706 5.1217 5.1306 5.6125 5.6272 14.9074 14.9082 15.8280 15.8286 16.3396 16.3422 17.2534 17.2535 17.4540 17.4594 k = 0.3154 0.5335-0.0000 ( 2736 PWs) bands (ev): -15.2016 -15.2016 -14.7812 -14.7812 -12.6630 -12.6628 -12.6151 -12.6151 -12.5121 -12.5119 -11.8953 -11.8953 -3.6817 -3.6784 -2.6725 -2.6665 -2.2719 -2.2667 -2.2062 -2.1973 -1.2053 -1.2048 -0.9391 -0.9339 0.1609 0.1642 0.5469 0.5549 1.2653 1.2735 2.3738 2.3885 2.4154 2.4172 3.0781 3.0799 4.2397 4.2439 4.4576 4.4624 4.7321 4.7404 5.0641 5.0659 5.1220 5.1314 5.5914 5.6061 14.8944 14.8951 15.7904 15.7908 16.3682 16.3706 17.2965 17.2970 17.3907 17.3960 k = 0.3227 0.5459-0.0000 ( 2732 PWs) bands (ev): -15.2398 -15.2398 -14.7260 -14.7260 -12.6787 -12.6785 -12.6324 -12.6324 -12.4977 -12.4974 -11.8975 -11.8975 -3.7029 -3.6998 -2.6353 -2.6282 -2.2289 -2.2281 -2.2231 -2.2171 -1.1695 -1.1691 -1.0212 -1.0161 0.1690 0.1722 0.5114 0.5195 1.3250 1.3333 2.3763 2.3831 2.4035 2.4127 3.0609 3.0630 4.2164 4.2211 4.4859 4.4912 4.7644 4.7730 5.0590 5.0613 5.1216 5.1312 5.5709 5.5856 14.8832 14.8840 15.7548 15.7550 16.3939 16.3962 17.3259 17.3306 17.3315 17.3318 k = 0.3300 0.5583-0.0000 ( 2728 PWs) bands (ev): -15.2767 -15.2767 -14.6704 -14.6704 -12.6943 -12.6941 -12.6517 -12.6517 -12.4822 -12.4820 -11.8999 -11.8999 -3.7247 -3.7218 -2.6063 -2.5982 -2.2381 -2.2270 -2.1835 -2.1786 -1.1354 -1.1348 -1.1028 -1.0980 0.1720 0.1752 0.4752 0.4833 1.3856 1.3939 2.3477 2.3520 2.4238 2.4352 3.0461 3.0484 4.1921 4.1973 4.5158 4.5216 4.7969 4.8057 5.0541 5.0566 5.1200 5.1297 5.5514 5.5660 14.8741 14.8747 15.7214 15.7214 16.4165 16.4188 17.2599 17.2650 17.3557 17.3569 k = 0.3374 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.3122 -15.3122 -14.6146 -14.6146 -12.7096 -12.7094 -12.6722 -12.6722 -12.4667 -12.4665 -11.9025 -11.9025 -3.7469 -3.7443 -2.5883 -2.5796 -2.2357 -2.2240 -2.1358 -2.1312 -1.1844 -1.1794 -1.1022 -1.1020 0.1703 0.1735 0.4380 0.4461 1.4464 1.4547 2.3197 2.3233 2.4448 2.4564 3.0335 3.0361 4.1669 4.1725 4.5473 4.5535 4.8294 4.8385 5.0492 5.0520 5.1169 5.1266 5.5334 5.5477 14.8670 14.8676 15.6901 15.6903 16.4360 16.4381 17.1927 17.1976 17.3709 17.3722 k = 0.3374 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.3122 -15.3122 -14.6146 -14.6146 -12.7096 -12.7094 -12.6722 -12.6722 -12.4667 -12.4665 -11.9025 -11.9025 -3.7469 -3.7443 -2.5883 -2.5796 -2.2357 -2.2240 -2.1358 -2.1312 -1.1844 -1.1794 -1.1022 -1.1020 0.1703 0.1735 0.4380 0.4461 1.4464 1.4547 2.3197 2.3233 2.4448 2.4564 3.0335 3.0361 4.1669 4.1725 4.5473 4.5535 4.8294 4.8385 5.0492 5.0520 5.1169 5.1266 5.5334 5.5477 14.8670 14.8676 15.6901 15.6903 16.4360 16.4381 17.1927 17.1976 17.3709 17.3722 k = 0.3233 0.5707-0.0000 ( 2725 PWs) bands (ev): -15.2955 -15.2954 -14.6417 -14.6417 -12.7026 -12.7024 -12.6609 -12.6609 -12.4742 -12.4739 -11.9015 -11.9015 -3.7358 -3.7330 -2.5956 -2.5871 -2.2446 -2.2335 -2.1554 -2.1504 -1.1484 -1.1440 -1.1149 -1.1132 0.1711 0.1744 0.4589 0.4670 1.4152 1.4235 2.3350 2.3388 2.4328 2.4443 3.0407 3.0432 4.1800 4.1854 4.5292 4.5352 4.8126 4.8216 5.0535 5.0565 5.1192 5.1291 5.5421 5.5565 14.8715 14.8721 15.7049 15.7050 16.4269 16.4291 17.2117 17.2164 17.3768 17.3785 k = 0.3093 0.5707-0.0000 ( 2727 PWs) bands (ev): -15.2798 -15.2798 -14.6676 -14.6676 -12.6966 -12.6964 -12.6479 -12.6479 -12.4813 -12.4811 -11.9012 -11.9011 -3.7245 -3.7216 -2.6051 -2.5970 -2.2640 -2.2540 -2.1641 -2.1581 -1.1494 -1.1481 -1.0907 -1.0861 0.1698 0.1731 0.4841 0.4922 1.3821 1.3903 2.3535 2.3580 2.4174 2.4285 3.0507 3.0532 4.1937 4.1989 4.5069 4.5125 4.7947 4.8034 5.0614 5.0650 5.1219 5.1324 5.5510 5.5655 14.8790 14.8798 15.7192 15.7194 16.4173 16.4196 17.2011 17.2052 17.4055 17.4081 k = 0.2952 0.5707-0.0000 ( 2725 PWs) bands (ev): -15.2653 -15.2653 -14.6921 -14.6921 -12.6912 -12.6910 -12.6335 -12.6335 -12.4881 -12.4879 -11.9016 -11.9015 -3.7129 -3.7099 -2.6163 -2.6087 -2.2919 -2.2830 -2.1645 -2.1578 -1.1682 -1.1677 -1.0485 -1.0435 0.1666 0.1699 0.5130 0.5211 1.3470 1.3553 2.3732 2.3806 2.4005 2.4095 3.0634 3.0659 4.2080 4.2129 4.4806 4.4858 4.7758 4.7843 5.0723 5.0773 5.1250 5.1368 5.5603 5.5747 14.8898 14.8905 15.7331 15.7334 16.4074 16.4098 17.1723 17.1758 17.4463 17.4494 k = 0.2811 0.5707-0.0000 ( 2726 PWs) bands (ev): -15.2519 -15.2519 -14.7152 -14.7152 -12.6863 -12.6861 -12.6179 -12.6179 -12.4946 -12.4943 -11.9028 -11.9027 -3.7009 -3.6978 -2.6289 -2.6217 -2.3242 -2.3160 -2.1613 -2.1545 -1.1883 -1.1881 -1.0044 -0.9991 0.1618 0.1651 0.5453 0.5534 1.3103 1.3185 2.3707 2.3856 2.4059 2.4081 3.0784 3.0810 4.2225 4.2271 4.4506 4.4554 4.7561 4.7643 5.0851 5.0924 5.1287 5.1425 5.5697 5.5841 14.9037 14.9045 15.7463 15.7467 16.3970 16.3996 17.1348 17.1379 17.4896 17.4932 k = 0.2671 0.5707-0.0000 ( 2730 PWs) bands (ev): -15.2398 -15.2398 -14.7369 -14.7369 -12.6818 -12.6816 -12.6012 -12.6012 -12.5007 -12.5005 -11.9049 -11.9048 -3.6885 -3.6853 -2.6424 -2.6358 -2.3585 -2.3508 -2.1576 -2.1509 -1.2077 -1.2075 -0.9595 -0.9542 0.1556 0.1589 0.5805 0.5886 1.2720 1.2802 2.3469 2.3604 2.4335 2.4359 3.0954 3.0980 4.2369 4.2413 4.4175 4.4217 4.7358 4.7438 5.0983 5.1087 5.1339 5.1506 5.5794 5.5935 14.9209 14.9217 15.7587 15.7593 16.3861 16.3889 17.0929 17.0956 17.5317 17.5355 k = 0.2530 0.5707-0.0000 ( 2726 PWs) bands (ev): -15.2289 -15.2289 -14.7571 -14.7571 -12.6775 -12.6773 -12.5836 -12.5836 -12.5064 -12.5062 -11.9078 -11.9078 -3.6755 -3.6722 -2.6567 -2.6508 -2.3935 -2.3862 -2.1549 -2.1485 -1.2253 -1.2248 -0.9144 -0.9090 0.1483 0.1516 0.6181 0.6262 1.2322 1.2404 2.3191 2.3321 2.4646 2.4675 3.1141 3.1168 4.2508 4.2550 4.3817 4.3855 4.7151 4.7228 5.1100 5.1221 5.1443 5.1625 5.5892 5.6031 14.9412 14.9421 15.7704 15.7710 16.3745 16.3776 17.0485 17.0511 17.5710 17.5749 k = 0.2390 0.5707-0.0000 ( 2725 PWs) bands (ev): -15.2192 -15.2192 -14.7759 -14.7758 -12.6736 -12.6734 -12.5651 -12.5651 -12.5118 -12.5115 -11.9118 -11.9117 -3.6618 -3.6584 -2.6720 -2.6668 -2.4285 -2.4215 -2.1540 -2.1481 -1.2401 -1.2394 -0.8693 -0.8638 0.1404 0.1436 0.6575 0.6657 1.1912 1.1994 2.2886 2.3014 2.4985 2.5017 3.1341 3.1369 4.2629 4.2676 4.3442 4.3482 4.6942 4.7016 5.1188 5.1290 5.1627 5.1786 5.5990 5.6126 14.9647 14.9657 15.7811 15.7819 16.3620 16.3653 17.0029 17.0052 17.6067 17.6107 k = 0.2249 0.5707-0.0000 ( 2722 PWs) bands (ev): -15.2108 -15.2108 -14.7930 -14.7930 -12.6699 -12.6697 -12.5461 -12.5461 -12.5164 -12.5162 -11.9167 -11.9167 -3.6473 -3.6438 -2.6885 -2.6841 -2.4627 -2.4562 -2.1555 -2.1501 -1.2517 -1.2508 -0.8244 -0.8190 0.1320 0.1352 0.6983 0.7066 1.1494 1.1575 2.2557 2.2684 2.5349 2.5383 3.1553 3.1580 4.2660 4.2756 4.3082 4.3172 4.6733 4.6804 5.1250 5.1329 5.1851 5.1984 5.6088 5.6221 14.9913 14.9924 15.7910 15.7918 16.3482 16.3518 16.9568 16.9590 17.6390 17.6430 k = 0.2109 0.5707-0.0000 ( 2728 PWs) bands (ev): -15.2037 -15.2037 -14.8087 -14.8086 -12.6665 -12.6663 -12.5294 -12.5293 -12.5175 -12.5173 -11.9228 -11.9227 -3.6319 -3.6283 -2.7064 -2.7030 -2.4956 -2.4897 -2.1594 -2.1546 -1.2597 -1.2586 -0.7801 -0.7747 0.1237 0.1268 0.7398 0.7480 1.1072 1.1153 2.2209 2.2334 2.5735 2.5770 3.1772 3.1800 4.2427 4.2527 4.3003 4.3100 4.6527 4.6595 5.1294 5.1356 5.2092 5.2206 5.6185 5.6314 15.0209 15.0221 15.8000 15.8008 16.3328 16.3366 16.9110 16.9132 17.6677 17.6717 k = 0.1968 0.5707-0.0000 ( 2730 PWs) bands (ev): -15.1978 -15.1977 -14.8227 -14.8227 -12.6633 -12.6631 -12.5283 -12.5281 -12.5019 -12.5018 -11.9299 -11.9298 -3.6154 -3.6117 -2.7264 -2.7240 -2.5263 -2.5212 -2.1657 -2.1614 -1.2641 -1.2627 -0.7367 -0.7313 0.1160 0.1189 0.7806 0.7888 1.0656 1.0738 2.1843 2.1967 2.6141 2.6177 3.1995 3.2024 4.2026 4.2098 4.3096 4.3168 4.6327 4.6391 5.1327 5.1378 5.2340 5.2440 5.6281 5.6405 15.0535 15.0547 15.8080 15.8089 16.3153 16.3194 16.8663 16.8684 17.6935 17.6974 k = 0.1827 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.1930 -15.1929 -14.8353 -14.8353 -12.6604 -12.6602 -12.5318 -12.5316 -12.4807 -12.4807 -11.9381 -11.9380 -3.5978 -3.5941 -2.7491 -2.7478 -2.5543 -2.5501 -2.1740 -2.1703 -1.2650 -1.2634 -0.6944 -0.6892 0.1093 0.1121 0.8183 0.8264 1.0273 1.0357 2.1461 2.1584 2.6564 2.6601 3.2221 3.2249 4.1578 4.1639 4.3193 4.3253 4.6136 4.6196 5.1352 5.1396 5.2589 5.2679 5.6374 5.6493 15.0888 15.0902 15.8152 15.8160 16.2953 16.2996 16.8233 16.8255 17.7167 17.7205 k = 0.1687 0.5707-0.0000 ( 2734 PWs) bands (ev): -15.1892 -15.1892 -14.8464 -14.8464 -12.6578 -12.6576 -12.5354 -12.5352 -12.4585 -12.4585 -11.9474 -11.9473 -3.5790 -3.5752 -2.7752 -2.7747 -2.5789 -2.5756 -2.1841 -2.1808 -1.2627 -1.2609 -0.6539 -0.6489 0.1042 0.1068 0.8454 0.8533 0.9992 1.0080 2.1066 2.1187 2.7003 2.7041 3.2445 3.2474 4.1112 4.1165 4.3275 4.3329 4.5959 4.6016 5.1372 5.1411 5.2836 5.2918 5.6463 5.6576 15.1269 15.1283 15.8215 15.8224 16.2722 16.2767 16.7828 16.7849 17.7377 17.7414 k = 0.1546 0.5707-0.0000 ( 2729 PWs) bands (ev): -15.1865 -15.1865 -14.8561 -14.8561 -12.6555 -12.6553 -12.5387 -12.5385 -12.4357 -12.4356 -11.9578 -11.9577 -3.5589 -3.5549 -2.8056 -2.8043 -2.5999 -2.5974 -2.1953 -2.1925 -1.2577 -1.2557 -0.6155 -0.6107 0.1014 0.1038 0.8475 0.8549 0.9961 1.0054 2.0658 2.0778 2.7456 2.7495 3.2665 3.2694 4.0635 4.0684 4.3337 4.3386 4.5801 4.5853 5.1388 5.1423 5.3077 5.3153 5.6548 5.6655 15.1674 15.1690 15.8271 15.8278 16.2456 16.2503 16.7454 16.7474 17.7571 17.7606 k = 0.1406 0.5707-0.0000 ( 2727 PWs) bands (ev): -15.1847 -15.1846 -14.8644 -14.8644 -12.6534 -12.6533 -12.5418 -12.5416 -12.4125 -12.4124 -11.9693 -11.9692 -3.5373 -3.5332 -2.8392 -2.8370 -2.6174 -2.6155 -2.2072 -2.2047 -1.2504 -1.2484 -0.5798 -0.5753 0.1017 0.1039 0.8214 0.8287 1.0209 1.0304 2.0240 2.0359 2.7920 2.7959 3.2876 3.2906 4.0153 4.0198 4.3373 4.3419 4.5665 4.5714 5.1401 5.1432 5.3308 5.3379 5.6627 5.6728 15.2104 15.2121 15.8318 15.8325 16.2152 16.2200 16.7115 16.7135 17.7751 17.7784 k = 0.1265 0.5707-0.0000 ( 2725 PWs) bands (ev): -15.1835 -15.1835 -14.8715 -14.8715 -12.6516 -12.6515 -12.5445 -12.5443 -12.3889 -12.3889 -11.9818 -11.9817 -3.5142 -3.5100 -2.8756 -2.8725 -2.6318 -2.6304 -2.2192 -2.2172 -1.2414 -1.2394 -0.5474 -0.5432 0.1056 0.1077 0.7814 0.7885 1.0594 1.0688 1.9814 1.9931 2.8392 2.8432 3.3074 3.3104 3.9671 3.9713 4.3380 4.3424 4.5557 4.5601 5.1411 5.1439 5.3528 5.3593 5.6701 5.6795 15.2555 15.2573 15.8359 15.8365 16.1808 16.1856 16.6815 16.6834 17.7921 17.7951 k = 0.1125 0.5707-0.0000 ( 2725 PWs) bands (ev): -15.1830 -15.1830 -14.8775 -14.8775 -12.6501 -12.6499 -12.5469 -12.5468 -12.3653 -12.3653 -11.9953 -11.9952 -3.4895 -3.4853 -2.9139 -2.9103 -2.6435 -2.6423 -2.2311 -2.2293 -1.2314 -1.2295 -0.5187 -0.5150 0.1138 0.1160 0.7359 0.7430 1.1029 1.1123 1.9382 1.9497 2.8871 2.8911 3.3254 3.3285 3.9195 3.9234 4.3361 4.3401 4.5476 4.5517 5.1419 5.1445 5.3733 5.3793 5.6768 5.6854 15.3026 15.3046 15.8393 15.8397 16.1426 16.1474 16.6556 16.6574 17.8081 17.8109 k = 0.0984 0.5707-0.0000 ( 2726 PWs) bands (ev): -15.1830 -15.1830 -14.8824 -14.8824 -12.6487 -12.6486 -12.5490 -12.5489 -12.3418 -12.3418 -12.0097 -12.0096 -3.4632 -3.4590 -2.9537 -2.9496 -2.6531 -2.6520 -2.2423 -2.2408 -1.2210 -1.2191 -0.4941 -0.4909 0.1269 0.1293 0.6881 0.6950 1.1483 1.1577 1.8947 1.9059 2.9351 2.9392 3.3409 3.3443 3.8731 3.8767 4.3317 4.3355 4.5422 4.5459 5.1426 5.1448 5.3921 5.3976 5.6828 5.6906 15.3515 15.3536 15.8419 15.8422 16.1008 16.1056 16.6337 16.6353 17.8232 17.8257 k = 0.0843 0.5707-0.0000 ( 2727 PWs) bands (ev): -15.1833 -15.1832 -14.8865 -14.8865 -12.6476 -12.6475 -12.5508 -12.5507 -12.3187 -12.3186 -12.0249 -12.0248 -3.4353 -3.4310 -2.9943 -2.9900 -2.6607 -2.6598 -2.2525 -2.2513 -1.2105 -1.2088 -0.4739 -0.4711 0.1452 0.1479 0.6391 0.6458 1.1943 1.2035 1.8513 1.8621 2.9830 2.9871 3.3533 3.3568 3.8288 3.8322 4.3257 4.3290 4.5391 4.5423 5.1431 5.1451 5.4091 5.4139 5.6881 5.6950 15.4019 15.4041 15.8438 15.8439 16.0561 16.0608 16.6156 16.6169 17.8372 17.8394 k = 0.0703 0.5707-0.0000 ( 2733 PWs) bands (ev): -15.1837 -15.1837 -14.8897 -14.8897 -12.6467 -12.6466 -12.5523 -12.5522 -12.2961 -12.2960 -12.0405 -12.0404 -3.4058 -3.4014 -3.0354 -3.0308 -2.6667 -2.6659 -2.2616 -2.2606 -1.2007 -1.1992 -0.4578 -0.4556 0.1687 0.1719 0.5896 0.5962 1.2397 1.2488 1.8084 1.8188 3.0301 3.0342 3.3616 3.3653 3.7877 3.7908 4.3187 4.3216 4.5377 4.5404 5.1435 5.1452 5.4239 5.4281 5.6926 5.6985 15.4535 15.4559 15.8445 15.8447 16.0093 16.0139 16.6009 16.6020 17.8500 17.8519 k = 0.0562 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.1843 -15.1843 -14.8922 -14.8922 -12.6460 -12.6459 -12.5535 -12.5534 -12.2747 -12.2746 -12.0562 -12.0561 -3.3747 -3.3702 -3.0764 -3.0718 -2.6714 -2.6707 -2.2692 -2.2684 -1.1919 -1.1906 -0.4457 -0.4440 0.1971 0.2008 0.5402 0.5467 1.2837 1.2923 1.7670 1.7767 3.0755 3.0795 3.3651 3.3689 3.7513 3.7540 4.3118 4.3142 4.5374 4.5396 5.1439 5.1452 5.4365 5.4399 5.6964 5.7013 15.5062 15.5087 15.8432 15.8437 15.9619 15.9663 16.5893 16.5903 17.8612 17.8628 k = 0.0422 0.5707-0.0000 ( 2728 PWs) bands (ev): -15.1848 -15.1848 -14.8941 -14.8940 -12.6455 -12.6454 -12.5544 -12.5544 -12.2550 -12.2549 -12.0713 -12.0712 -3.3419 -3.3374 -3.1171 -3.1124 -2.6749 -2.6744 -2.2752 -2.2747 -1.1846 -1.1836 -0.4370 -0.4358 0.2302 0.2343 0.4913 0.4975 1.3248 1.3326 1.7285 1.7371 3.1180 3.1217 3.3632 3.3670 3.7212 3.7234 4.3056 4.3074 4.5377 4.5394 5.1442 5.1452 5.4466 5.4492 5.6995 5.7032 15.5594 15.5621 15.8372 15.8383 15.9174 15.9213 16.5807 16.5814 17.8706 17.8718 k = 0.0281 0.5707-0.0000 ( 2730 PWs) bands (ev): -15.1852 -15.1852 -14.8953 -14.8953 -12.6451 -12.6450 -12.5551 -12.5550 -12.2383 -12.2382 -12.0847 -12.0847 -3.3076 -3.3030 -3.1572 -3.1525 -2.6773 -2.6769 -2.2796 -2.2792 -1.1790 -1.1783 -0.4312 -0.4304 0.2671 0.2717 0.4432 0.4492 1.3606 1.3669 1.6955 1.7024 3.1550 3.1583 3.3567 3.3600 3.6988 3.7004 4.3008 4.3020 4.5383 4.5394 5.1444 5.1451 5.4540 5.4558 5.7019 5.7044 15.6125 15.6152 15.8180 15.8198 15.8856 15.8883 16.5747 16.5752 17.8777 17.8785 k = 0.0141 0.5707-0.0000 ( 2728 PWs) bands (ev): -15.1855 -15.1855 -14.8961 -14.8961 -12.6448 -12.6448 -12.5555 -12.5554 -12.2265 -12.2264 -12.0945 -12.0945 -3.2719 -3.2673 -3.1965 -3.1918 -2.6786 -2.6784 -2.2822 -2.2820 -1.1755 -1.1752 -0.4279 -0.4275 0.3073 0.3123 0.3964 0.4021 1.3869 1.3907 1.6726 1.6766 3.1825 3.1846 3.3488 3.3510 3.6853 3.6861 4.2978 4.2984 4.5389 4.5395 5.1446 5.1450 5.4587 5.4596 5.7036 5.7048 15.6634 15.6659 15.7810 15.7833 15.8733 15.8744 16.5713 16.5715 17.8822 17.8826 k = 0.0000 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.1856 -15.1856 -14.8963 -14.8963 -12.6448 -12.6448 -12.5556 -12.5556 -12.2221 -12.2221 -12.0982 -12.0982 -3.2355 -3.2355 -3.2295 -3.2295 -2.6790 -2.6790 -2.2830 -2.2830 -1.1742 -1.1742 -0.4267 -0.4267 0.3472 0.3472 0.3597 0.3597 1.3982 1.3982 1.6655 1.6655 3.1939 3.1939 3.3458 3.3458 3.6810 3.6810 4.2970 4.2970 4.5393 4.5393 5.1448 5.1448 5.4606 5.4606 5.7045 5.7045 15.6967 15.6967 15.7533 15.7533 15.8710 15.8710 16.5702 16.5702 17.8838 17.8838 k = 0.0000 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.1856 -15.1856 -14.8963 -14.8963 -12.6448 -12.6448 -12.5556 -12.5556 -12.2221 -12.2221 -12.0982 -12.0982 -3.2355 -3.2355 -3.2295 -3.2295 -2.6790 -2.6790 -2.2830 -2.2830 -1.1742 -1.1742 -0.4267 -0.4267 0.3472 0.3472 0.3597 0.3597 1.3982 1.3982 1.6655 1.6655 3.1939 3.1939 3.3458 3.3458 3.6810 3.6810 4.2970 4.2970 4.5393 4.5393 5.1448 5.1448 5.4606 5.4606 5.7045 5.7045 15.6967 15.6967 15.7533 15.7533 15.8710 15.8710 16.5702 16.5702 17.8838 17.8838 k = 0.0000 0.5707 0.0141 ( 2732 PWs) bands (ev): -15.1849 -15.1849 -14.8956 -14.8956 -12.6468 -12.6468 -12.5570 -12.5570 -12.2213 -12.2213 -12.0981 -12.0981 -3.2355 -3.2353 -3.2307 -3.2307 -2.6744 -2.6744 -2.2824 -2.2823 -1.1736 -1.1736 -0.4274 -0.4272 0.3462 0.3463 0.3587 0.3588 1.3978 1.3980 1.6654 1.6656 3.1915 3.1919 3.3460 3.3463 3.6805 3.6806 4.2945 4.2950 4.5431 4.5439 5.1448 5.1449 5.4606 5.4608 5.7044 5.7045 15.6937 15.6937 15.7481 15.7484 15.8750 15.8753 16.5696 16.5697 17.8861 17.8861 k = 0.0000 0.5707 0.0281 ( 2732 PWs) bands (ev): -15.1827 -15.1827 -14.8935 -14.8935 -12.6528 -12.6528 -12.5612 -12.5612 -12.2192 -12.2192 -12.0975 -12.0975 -3.2394 -3.2391 -3.2301 -3.2300 -2.6608 -2.6608 -2.2804 -2.2802 -1.1719 -1.1717 -0.4293 -0.4289 0.3432 0.3435 0.3557 0.3558 1.3966 1.3972 1.6656 1.6659 3.1849 3.1857 3.3469 3.3476 3.6791 3.6792 4.2882 4.2891 4.5549 4.5563 5.1450 5.1451 5.4608 5.4612 5.7041 5.7042 15.6846 15.6846 15.7347 15.7352 15.8857 15.8864 16.5678 16.5680 17.8928 17.8929 k = 0.0000 0.5707 0.0422 ( 2730 PWs) bands (ev): -15.1790 -15.1790 -14.8899 -14.8899 -12.6627 -12.6627 -12.5682 -12.5682 -12.2158 -12.2157 -12.0967 -12.0967 -3.2482 -3.2480 -3.2260 -3.2258 -2.6390 -2.6389 -2.2770 -2.2767 -1.1688 -1.1686 -0.4324 -0.4319 0.3384 0.3389 0.3508 0.3509 1.3949 1.3957 1.6657 1.6663 3.1742 3.1753 3.3485 3.3496 3.6768 3.6769 4.2790 4.2802 4.5733 4.5753 5.1454 5.1455 5.4613 5.4618 5.7036 5.7037 15.6697 15.6698 15.7159 15.7165 15.9005 15.9013 16.5650 16.5653 17.9038 17.9039 k = 0.0000 0.5707 0.0563 ( 2726 PWs) bands (ev): -15.1739 -15.1739 -14.8850 -14.8850 -12.6762 -12.6762 -12.5779 -12.5779 -12.2112 -12.2112 -12.0956 -12.0956 -3.2598 -3.2595 -3.2199 -3.2195 -2.6097 -2.6096 -2.2724 -2.2720 -1.1645 -1.1643 -0.4367 -0.4360 0.3319 0.3325 0.3441 0.3443 1.3924 1.3935 1.6659 1.6666 3.1597 3.1611 3.3508 3.3522 3.6736 3.6738 4.2682 4.2697 4.5969 4.5994 5.1458 5.1460 5.4619 5.4626 5.7028 5.7030 15.6495 15.6495 15.6938 15.6944 15.9175 15.9184 16.5614 16.5618 17.9187 17.9188 k = 0.0000 0.5707 0.0704 ( 2728 PWs) bands (ev): -15.1673 -15.1673 -14.8786 -14.8786 -12.6932 -12.6931 -12.5902 -12.5902 -12.2057 -12.2057 -12.0942 -12.0941 -3.2729 -3.2726 -3.2121 -3.2116 -2.5739 -2.5738 -2.2665 -2.2660 -1.1588 -1.1585 -0.4424 -0.4415 0.3238 0.3246 0.3357 0.3360 1.3891 1.3905 1.6658 1.6666 3.1417 3.1434 3.3536 3.3554 3.6695 3.6698 4.2566 4.2583 4.6245 4.6273 5.1464 5.1467 5.4628 5.4637 5.7019 5.7021 15.6243 15.6243 15.6697 15.6702 15.9356 15.9366 16.5571 16.5576 17.9370 17.9371 k = 0.0000 0.5707 0.0844 ( 2728 PWs) bands (ev): -15.1593 -15.1593 -14.8708 -14.8708 -12.7133 -12.7132 -12.6052 -12.6051 -12.1996 -12.1995 -12.0925 -12.0925 -3.2869 -3.2865 -3.2026 -3.2020 -2.5326 -2.5325 -2.2595 -2.2589 -1.1517 -1.1513 -0.4493 -0.4482 0.3144 0.3153 0.3260 0.3263 1.3850 1.3866 1.6653 1.6663 3.1207 3.1226 3.3569 3.3590 3.6647 3.6650 4.2449 4.2468 4.6550 4.6582 5.1472 5.1475 5.4639 5.4650 5.7007 5.7010 15.5948 15.5949 15.6442 15.6447 15.9545 15.9555 16.5524 16.5529 17.9581 17.9582 k = 0.0000 0.5707 0.0985 ( 2732 PWs) bands (ev): -15.1498 -15.1498 -14.8616 -14.8616 -12.7363 -12.7363 -12.6226 -12.6226 -12.1929 -12.1928 -12.0907 -12.0907 -3.3010 -3.3005 -3.1917 -3.1910 -2.4865 -2.4863 -2.2515 -2.2508 -1.1430 -1.1426 -0.4575 -0.4563 0.3037 0.3047 0.3151 0.3154 1.3799 1.3818 1.6643 1.6654 3.0970 3.0991 3.3604 3.3628 3.6593 3.6595 4.2333 4.2354 4.6877 4.6911 5.1481 5.1484 5.4653 5.4665 5.6993 5.6996 15.5617 15.5618 15.6181 15.6185 15.9739 15.9749 16.5475 16.5481 17.9813 17.9813 k = 0.0000 0.5707 0.1126 ( 2736 PWs) bands (ev): -15.1388 -15.1388 -14.8510 -14.8510 -12.7620 -12.7620 -12.6424 -12.6424 -12.1859 -12.1858 -12.0887 -12.0887 -3.3146 -3.3142 -3.1795 -3.1787 -2.4363 -2.4361 -2.2426 -2.2419 -1.1325 -1.1322 -0.4670 -0.4657 0.2920 0.2933 0.3033 0.3036 1.3739 1.3760 1.6624 1.6637 3.0711 3.0734 3.3640 3.3667 3.6532 3.6535 4.2220 4.2243 4.7218 4.7256 5.1492 5.1495 5.4668 5.4682 5.6977 5.6981 15.5257 15.5259 15.5918 15.5922 15.9937 15.9947 16.5426 16.5433 18.0057 18.0057 k = 0.0000 0.5707 0.1267 ( 2730 PWs) bands (ev): -15.1265 -15.1265 -14.8390 -14.8390 -12.7902 -12.7901 -12.6645 -12.6645 -12.1787 -12.1786 -12.0866 -12.0866 -3.3275 -3.3270 -3.1661 -3.1652 -2.3826 -2.3822 -2.2329 -2.2322 -1.1203 -1.1200 -0.4779 -0.4764 0.2797 0.2811 0.2908 0.2910 1.3668 1.3691 1.6594 1.6609 3.0437 3.0461 3.3675 3.3705 3.6467 3.6469 4.2109 4.2134 4.7570 4.7610 5.1505 5.1509 5.4686 5.4702 5.6959 5.6963 15.4877 15.4879 15.5658 15.5661 16.0139 16.0148 16.5380 16.5387 18.0054 18.0106 k = 0.0000 0.5707 0.1407 ( 2732 PWs) bands (ev): -15.1127 -15.1126 -14.8257 -14.8257 -12.8206 -12.8205 -12.6888 -12.6888 -12.1714 -12.1713 -12.0845 -12.0845 -3.3393 -3.3387 -3.1516 -3.1506 -2.3258 -2.3254 -2.2227 -2.2219 -1.1061 -1.1058 -0.4901 -0.4885 0.2668 0.2684 0.2778 0.2781 1.3586 1.3611 1.6552 1.6567 3.0150 3.0176 3.3707 3.3739 3.6397 3.6399 4.2000 4.2027 4.7928 4.7970 5.1520 5.1524 5.4707 5.4724 5.6938 5.6942 15.4483 15.4485 15.5405 15.5408 16.0342 16.0351 16.5338 16.5346 17.9860 17.9870 k = 0.0000 0.5707 0.1548 ( 2734 PWs) bands (ev): -15.0974 -15.0974 -14.8109 -14.8109 -12.8531 -12.8530 -12.7153 -12.7152 -12.1641 -12.1641 -12.0823 -12.0823 -3.3497 -3.3492 -3.1363 -3.1352 -2.2664 -2.2660 -2.2119 -2.2112 -1.0898 -1.0895 -0.5035 -0.5018 0.2537 0.2554 0.2648 0.2649 1.3492 1.3519 1.6494 1.6510 2.9857 2.9883 3.3733 3.3767 3.6326 3.6327 4.1892 4.1920 4.8289 4.8333 5.1537 5.1542 5.4729 5.4748 5.6915 5.6919 15.4083 15.4086 15.5164 15.5166 16.0547 16.0556 16.5302 16.5311 17.9671 17.9680 k = 0.0000 0.5707 0.1689 ( 2738 PWs) bands (ev): -15.0808 -15.0808 -14.7949 -14.7948 -12.8875 -12.8875 -12.7436 -12.7436 -12.1570 -12.1569 -12.0801 -12.0801 -3.3587 -3.3581 -3.1203 -3.1192 -2.2058 -2.2056 -2.1995 -2.1994 -1.0712 -1.0710 -0.5182 -0.5164 0.2406 0.2425 0.2517 0.2518 1.3386 1.3415 1.6417 1.6435 2.9562 2.9588 3.3749 3.3785 3.6254 3.6254 4.1782 4.1812 4.8649 4.8695 5.1557 5.1562 5.4754 5.4775 5.6890 5.6894 15.3685 15.3688 15.4939 15.4940 16.0751 16.0760 16.5275 16.5284 17.9481 17.9488 k = 0.0000 0.5707 0.1829 ( 2736 PWs) bands (ev): -15.0628 -15.0628 -14.7774 -14.7774 -12.9237 -12.9237 -12.7739 -12.7739 -12.1500 -12.1500 -12.0778 -12.0778 -3.3662 -3.3655 -3.1038 -3.1026 -2.1902 -2.1894 -2.1413 -2.1405 -1.0502 -1.0502 -0.5339 -0.5320 0.2278 0.2299 0.2390 0.2390 1.3269 1.3298 1.6321 1.6339 2.9269 2.9296 3.3755 3.3792 3.6181 3.6182 4.1669 4.1701 4.9007 4.9054 5.1580 5.1585 5.4781 5.4804 5.6863 5.6867 15.3295 15.3299 15.4733 15.4734 16.0953 16.0963 16.5257 16.5267 17.9285 17.9291 k = 0.0000 0.5707 0.1970 ( 2728 PWs) bands (ev): -15.0434 -15.0434 -14.7587 -14.7587 -12.9615 -12.9615 -12.8059 -12.8059 -12.1432 -12.1432 -12.0756 -12.0756 -3.3720 -3.3713 -3.0871 -3.0859 -2.1790 -2.1784 -2.0767 -2.0759 -1.0269 -1.0268 -0.5506 -0.5486 0.2154 0.2177 0.2266 0.2268 1.3139 1.3170 1.6201 1.6220 2.8983 2.9009 3.3747 3.3785 3.6110 3.6112 4.1551 4.1585 4.9359 4.9408 5.1608 5.1613 5.4811 5.4835 5.6833 5.6838 15.2920 15.2923 15.4550 15.4550 16.1152 16.1161 16.5251 16.5261 17.9079 17.9083 k = 0.0000 0.5707 0.2111 ( 2728 PWs) bands (ev): -15.0226 -15.0226 -14.7386 -14.7386 -13.0009 -13.0008 -12.8397 -12.8396 -12.1367 -12.1366 -12.0734 -12.0734 -3.3762 -3.3755 -3.0703 -3.0690 -2.1679 -2.1674 -2.0113 -2.0103 -1.0010 -1.0008 -0.5679 -0.5658 0.2037 0.2061 0.2148 0.2152 1.2997 1.3029 1.6058 1.6077 2.8706 2.8732 3.3722 3.3761 3.6040 3.6045 4.1427 4.1462 4.9704 4.9755 5.1639 5.1644 5.4843 5.4868 5.6802 5.6806 15.2564 15.2568 15.4393 15.4393 16.1344 16.1353 16.5257 16.5267 17.8858 17.8860 k = 0.0000 0.5707 0.2252 ( 2730 PWs) bands (ev): -15.0004 -15.0004 -14.7172 -14.7172 -13.0416 -13.0416 -12.8749 -12.8749 -12.1304 -12.1303 -12.0713 -12.0713 -3.3787 -3.3780 -3.0537 -3.0524 -2.1570 -2.1566 -1.9454 -1.9443 -0.9726 -0.9723 -0.5855 -0.5834 0.1929 0.1955 0.2039 0.2043 1.2842 1.2875 1.5887 1.5907 2.8443 2.8468 3.3679 3.3718 3.5974 3.5980 4.1294 4.1331 5.0041 5.0092 5.1676 5.1680 5.4877 5.4903 5.6769 5.6773 15.2234 15.2238 15.4265 15.4266 16.1526 16.1536 16.5276 16.5287 17.8616 17.8616 k = 0.0000 0.5707 0.2392 ( 2730 PWs) bands (ev): -14.9770 -14.9770 -14.6946 -14.6946 -13.0836 -13.0836 -12.9116 -12.9116 -12.1243 -12.1242 -12.0692 -12.0692 -3.3796 -3.3788 -3.0375 -3.0361 -2.1463 -2.1461 -1.8798 -1.8785 -0.9417 -0.9412 -0.6032 -0.6009 0.1833 0.1860 0.1937 0.1944 1.2676 1.2710 1.5690 1.5710 2.8195 2.8221 3.3616 3.3656 3.5911 3.5920 4.1153 4.1192 5.0366 5.0419 5.1718 5.1722 5.4913 5.4940 5.6734 5.6738 15.1933 15.1937 15.4168 15.4170 16.1697 16.1707 16.5311 16.5321 17.8348 17.8350 k = 0.0000 0.5707 0.2533 ( 2730 PWs) bands (ev): -14.9522 -14.9522 -14.6707 -14.6707 -13.1267 -13.1267 -12.9497 -12.9497 -12.1185 -12.1184 -12.0672 -12.0672 -3.3788 -3.3780 -3.0219 -3.0205 -2.1357 -2.1356 -1.8152 -1.8137 -0.9084 -0.9077 -0.6202 -0.6179 0.1749 0.1777 0.1846 0.1855 1.2498 1.2532 1.5464 1.5484 2.7967 2.7992 3.3533 3.3573 3.5852 3.5862 4.1001 4.1041 5.0680 5.0733 5.1766 5.1769 5.4951 5.4979 5.6697 5.6701 15.1666 15.1670 15.4106 15.4108 16.1853 16.1862 16.5361 16.5372 17.8051 17.8055 k = 0.0000 0.5707 0.2674 ( 2728 PWs) bands (ev): -14.9261 -14.9261 -14.6456 -14.6456 -13.1709 -13.1709 -12.9890 -12.9890 -12.1129 -12.1128 -12.0653 -12.0653 -3.3764 -3.3756 -3.0072 -3.0058 -2.1253 -2.1252 -1.7523 -1.7506 -0.8727 -0.8718 -0.6359 -0.6336 0.1679 0.1710 0.1765 0.1776 1.2308 1.2343 1.5209 1.5230 2.7759 2.7783 3.3430 3.3470 3.5795 3.5808 4.0839 4.0880 5.0980 5.1034 5.1821 5.1824 5.4991 5.5020 5.6660 5.6663 15.1436 15.1441 15.4078 15.4082 16.1990 16.1999 16.5428 16.5439 17.7721 17.7726 k = 0.0000 0.5707 0.2815 ( 2728 PWs) bands (ev): -14.8987 -14.8987 -14.6193 -14.6193 -13.2161 -13.2160 -13.0294 -13.0294 -12.1076 -12.1076 -12.0634 -12.0634 -3.3724 -3.3715 -2.9936 -2.9922 -2.1148 -2.1146 -1.6921 -1.6902 -0.8350 -0.8339 -0.6496 -0.6472 0.1626 0.1659 0.1697 0.1709 1.2107 1.2143 1.4925 1.4946 2.7573 2.7596 3.3306 3.3346 3.5741 3.5756 4.0665 4.0707 5.1266 5.1320 5.1885 5.1886 5.5033 5.5061 5.6621 5.6623 15.1245 15.1250 15.4088 15.4092 16.2105 16.2115 16.5512 16.5523 17.7354 17.7362 k = 0.0000 0.5707 0.2955 ( 2730 PWs) bands (ev): -14.8701 -14.8700 -14.5918 -14.5918 -13.2620 -13.2620 -13.0709 -13.0709 -12.1026 -12.1025 -12.0617 -12.0617 -3.3669 -3.3660 -2.9814 -2.9800 -2.1042 -2.1037 -1.6358 -1.6337 -0.7955 -0.7941 -0.6603 -0.6578 0.1590 0.1627 0.1642 0.1654 1.1895 1.1931 1.4613 1.4634 2.7410 2.7433 3.3162 3.3202 3.5688 3.5706 4.0479 4.0523 5.1534 5.1589 5.1956 5.1957 5.5076 5.5104 5.6581 5.6583 15.1097 15.1102 15.4135 15.4139 16.2195 16.2205 16.5614 16.5625 17.6948 17.6958 k = 0.0000 0.5707 0.3096 ( 2730 PWs) bands (ev): -14.8402 -14.8402 -14.5632 -14.5632 -13.3086 -13.3086 -13.1133 -13.1132 -12.0978 -12.0978 -12.0600 -12.0600 -3.3599 -3.3590 -2.9707 -2.9693 -2.0931 -2.0925 -1.5846 -1.5823 -0.7545 -0.7529 -0.6667 -0.6643 0.1567 0.1607 0.1610 0.1617 1.1671 1.1708 1.4272 1.4293 2.7271 2.7294 3.3000 3.3039 3.5638 3.5659 4.0281 4.0326 5.1781 5.1837 5.2039 5.2043 5.5120 5.5148 5.6540 5.6541 15.0992 15.0998 15.4219 15.4224 16.2257 16.2267 16.5735 16.5745 17.6503 17.6514 k = 0.0000 0.5707 0.3237 ( 2724 PWs) bands (ev): -14.8091 -14.8091 -14.5335 -14.5335 -13.3559 -13.3558 -13.1565 -13.1564 -12.0933 -12.0932 -12.0585 -12.0584 -3.3515 -3.3506 -2.9618 -2.9604 -2.0813 -2.0806 -1.5399 -1.5375 -0.7125 -0.7107 -0.6679 -0.6655 0.1546 0.1583 0.1607 0.1627 1.1437 1.1474 1.3904 1.3926 2.7156 2.7179 3.2818 3.2857 3.5591 3.5613 4.0072 4.0118 5.1990 5.2039 5.2157 5.2159 5.5165 5.5192 5.6499 5.6499 15.0933 15.0939 15.4340 15.4345 16.2289 16.2299 16.5873 16.5883 17.6017 17.6030 k = 0.0000 0.5707 0.3377 ( 2724 PWs) bands (ev): -14.7769 -14.7769 -14.5027 -14.5027 -13.4036 -13.4036 -13.2004 -13.2003 -12.0890 -12.0890 -12.0570 -12.0570 -3.3417 -3.3408 -2.9549 -2.9535 -2.0687 -2.0678 -1.5031 -1.5005 -0.6701 -0.6681 -0.6625 -0.6601 0.1533 0.1570 0.1639 0.1664 1.1191 1.1229 1.3509 1.3532 2.7066 2.7089 3.2619 3.2658 3.5547 3.5571 3.9852 3.9899 5.2139 5.2165 5.2321 5.2343 5.5210 5.5236 5.6457 5.6457 15.0919 15.0925 15.4496 15.4502 16.2289 16.2299 16.6029 16.6039 17.5493 17.5507 k = 0.0000 0.5707 0.3518 ( 2726 PWs) bands (ev): -14.7435 -14.7435 -14.4710 -14.4709 -13.4517 -13.4516 -13.2449 -13.2449 -12.0850 -12.0850 -12.0557 -12.0557 -3.3307 -3.3297 -2.9501 -2.9487 -2.0550 -2.0540 -1.4752 -1.4725 -0.6502 -0.6480 -0.6274 -0.6252 0.1535 0.1574 0.1701 0.1728 1.0935 1.0972 1.3090 1.3113 2.7000 2.7023 3.2402 3.2442 3.5507 3.5534 3.9623 3.9670 5.2253 5.2268 5.2510 5.2540 5.5256 5.5281 5.6414 5.6415 15.0951 15.0958 15.4685 15.4692 16.2257 16.2267 16.6201 16.6211 17.4934 17.4949 k = 0.0000 0.5707 0.3659 ( 2726 PWs) bands (ev): -14.7090 -14.7090 -14.4383 -14.4383 -13.5000 -13.4999 -13.2899 -13.2899 -12.0812 -12.0812 -12.0545 -12.0544 -3.3184 -3.3174 -2.9476 -2.9461 -2.0401 -2.0389 -1.4566 -1.4539 -0.6303 -0.6283 -0.5855 -0.5831 0.1555 0.1598 0.1794 0.1821 1.0667 1.0704 1.2647 1.2671 2.6959 2.6982 3.2170 3.2209 3.5474 3.5503 3.9384 3.9432 5.2361 5.2370 5.2693 5.2724 5.5302 5.5324 5.6370 5.6373 15.1029 15.1036 15.4904 15.4911 16.2194 16.2205 16.6388 16.6397 17.4345 17.4361 k = 0.0000 0.5707 0.3800 ( 2732 PWs) bands (ev): -14.6734 -14.6734 -14.4048 -14.4047 -13.5483 -13.5483 -13.3354 -13.3353 -12.0777 -12.0776 -12.0534 -12.0534 -3.3050 -3.3040 -2.9473 -2.9459 -2.0237 -2.0224 -1.4474 -1.4447 -0.6036 -0.6020 -0.5447 -0.5422 0.1597 0.1644 0.1919 0.1947 1.0387 1.0425 1.2182 1.2207 2.6942 2.6965 3.1922 3.1961 3.5449 3.5479 3.9138 3.9187 5.2469 5.2475 5.2862 5.2892 5.5348 5.5368 5.6327 5.6331 15.1152 15.1160 15.5147 15.5155 16.2105 16.2115 16.6586 16.6594 17.3733 17.3751 k = 0.0000 0.5707 0.3940 ( 2726 PWs) bands (ev): -14.6368 -14.6368 -14.3705 -14.3705 -13.5967 -13.5966 -13.3811 -13.3810 -12.0744 -12.0743 -12.0524 -12.0524 -3.2906 -3.2895 -2.9493 -2.9479 -2.0057 -2.0043 -1.4468 -1.4442 -0.5714 -0.5701 -0.5058 -0.5031 0.1665 0.1716 0.2078 0.2107 1.0096 1.0134 1.1698 1.1724 2.6949 2.6973 3.1660 3.1699 3.5434 3.5466 3.8887 3.8936 5.2578 5.2583 5.3015 5.3044 5.5393 5.5410 5.6284 5.6288 15.1319 15.1327 15.5407 15.5415 16.1995 16.2005 16.6789 16.6796 17.3110 17.3129 k = 0.0000 0.5707 0.4081 ( 2722 PWs) bands (ev): -14.5992 -14.5992 -14.3356 -14.3356 -13.6447 -13.6447 -13.4270 -13.4269 -12.0713 -12.0712 -12.0516 -12.0516 -3.2751 -3.2740 -2.9536 -2.9522 -1.9862 -1.9847 -1.4537 -1.4512 -0.5353 -0.5343 -0.4693 -0.4665 0.1764 0.1819 0.2272 0.2302 0.9793 0.9831 1.1195 1.1222 2.6980 2.7004 3.1386 3.1425 3.5431 3.5465 3.8632 3.8681 5.2690 5.2692 5.3152 5.3177 5.5438 5.5452 5.6241 5.6246 15.1528 15.1536 15.5673 15.5682 16.1875 16.1885 16.6986 16.6992 17.2491 17.2511 k = 0.0000 0.5707 0.4222 ( 2720 PWs) bands (ev): -14.5607 -14.5607 -14.3004 -14.3004 -13.6922 -13.6922 -13.4730 -13.4729 -12.0684 -12.0684 -12.0509 -12.0509 -3.2588 -3.2577 -2.9600 -2.9587 -1.9650 -1.9634 -1.4670 -1.4645 -0.4972 -0.4966 -0.4356 -0.4328 0.1900 0.1958 0.2502 0.2533 0.9479 0.9516 1.0676 1.0704 2.7035 2.7059 3.1102 3.1141 3.5442 3.5477 3.8375 3.8425 5.2801 5.2802 5.3271 5.3293 5.5482 5.5492 5.6197 5.6204 15.1777 15.1785 15.5930 15.5940 16.1760 16.1769 16.7159 16.7164 17.1899 17.1919 k = 0.0000 0.5707 0.4363 ( 2720 PWs) bands (ev): -14.5214 -14.5214 -14.2651 -14.2651 -13.7388 -13.7388 -13.5189 -13.5189 -12.0658 -12.0657 -12.0504 -12.0504 -3.2417 -3.2406 -2.9686 -2.9672 -1.9422 -1.9406 -1.4852 -1.4828 -0.4593 -0.4590 -0.4052 -0.4024 0.2077 0.2139 0.2766 0.2798 0.9152 0.9189 1.0143 1.0173 2.7112 2.7138 3.0809 3.0848 3.5468 3.5504 3.8118 3.8168 5.2911 5.2911 5.3372 5.3391 5.5524 5.5531 5.6154 5.6162 15.2063 15.2072 15.6159 15.6170 16.1672 16.1680 16.7277 16.7281 17.1371 17.1392 k = 0.0000 0.5707 0.4503 ( 2716 PWs) bands (ev): -14.4813 -14.4812 -14.2304 -14.2303 -13.7839 -13.7839 -13.5647 -13.5647 -12.0634 -12.0633 -12.0500 -12.0500 -3.2240 -3.2228 -2.9791 -2.9777 -1.9179 -1.9162 -1.5075 -1.5052 -0.4231 -0.4230 -0.3784 -0.3757 0.2300 0.2366 0.3062 0.3096 0.8814 0.8851 0.9600 0.9631 2.7213 2.7239 3.0512 3.0550 3.5510 3.5548 3.7863 3.7913 5.3017 5.3019 5.3456 5.3471 5.5566 5.5570 5.6112 5.6121 15.2383 15.2392 15.6336 15.6348 16.1635 16.1643 16.7291 16.7294 17.0962 17.0984 k = 0.0000 0.5707 0.4644 ( 2712 PWs) bands (ev): -14.4405 -14.4405 -14.1971 -14.1970 -13.8265 -13.8265 -13.6102 -13.6102 -12.0611 -12.0611 -12.0498 -12.0498 -3.2056 -3.2044 -2.9913 -2.9899 -1.8921 -1.8903 -1.5328 -1.5306 -0.3904 -0.3903 -0.3552 -0.3527 0.2575 0.2643 0.3385 0.3421 0.8466 0.8502 0.9049 0.9081 2.7336 2.7363 3.0212 3.0250 3.5569 3.5609 3.7612 3.7662 5.3120 5.3122 5.3522 5.3534 5.5607 5.5607 5.6070 5.6079 15.2732 15.2742 15.6435 15.6448 16.1678 16.1686 16.7147 16.7150 17.0731 17.0752 k = 0.0000 0.5707 0.4785 ( 2710 PWs) bands (ev): -14.3992 -14.3991 -14.1671 -14.1671 -13.8648 -13.8648 -13.6552 -13.6552 -12.0591 -12.0591 -12.0498 -12.0497 -3.1868 -3.1856 -3.0051 -3.0037 -1.8649 -1.8631 -1.5604 -1.5583 -0.3620 -0.3619 -0.3359 -0.3335 0.2899 0.2969 0.3727 0.3765 0.8109 0.8144 0.8497 0.8530 2.7481 2.7509 2.9912 2.9949 3.5646 3.5687 3.7368 3.7418 5.3216 5.3220 5.3571 5.3579 5.5644 5.5647 5.6028 5.6039 15.3107 15.3117 15.6437 15.6449 16.1823 16.1831 16.6823 16.6827 17.0704 17.0724 k = 0.0000 0.5707 0.4925 ( 2708 PWs) bands (ev): -14.3575 -14.3575 -14.1440 -14.1440 -13.8951 -13.8951 -13.6995 -13.6995 -12.0573 -12.0573 -12.0499 -12.0498 -3.1677 -3.1665 -3.0202 -3.0189 -1.8365 -1.8347 -1.5897 -1.5876 -0.3385 -0.3384 -0.3203 -0.3181 0.3270 0.3340 0.4078 0.4119 0.7747 0.7781 0.7952 0.7985 2.7648 2.7677 2.9615 2.9651 3.5742 3.5785 3.7132 3.7181 5.3306 5.3310 5.3603 5.3608 5.5681 5.5686 5.5987 5.5998 15.3503 15.3513 15.6334 15.6347 16.2079 16.2086 16.6354 16.6360 17.0853 17.0871 k = 0.0000 0.5707 0.5066 ( 2704 PWs) bands (ev): -14.3158 -14.3157 -14.1335 -14.1335 -13.9117 -13.9117 -13.7429 -13.7428 -12.0557 -12.0557 -12.0502 -12.0501 -3.1484 -3.1471 -3.0366 -3.0352 -1.8071 -1.8052 -1.6202 -1.6181 -0.3203 -0.3201 -0.3084 -0.3064 0.3678 0.3748 0.4419 0.4465 0.7385 0.7418 0.7431 0.7462 2.7835 2.7866 2.9323 2.9360 3.5857 3.5900 3.6907 3.6955 5.3387 5.3391 5.3618 5.3621 5.5718 5.5725 5.5947 5.5958 15.3912 15.3922 15.6136 15.6148 16.2439 16.2446 16.5795 16.5801 17.1130 17.1146 k = 0.0000 0.5707 0.5207 ( 2702 PWs) bands (ev): -14.2744 -14.2744 -14.1406 -14.1406 -13.9096 -13.9096 -13.7848 -13.7847 -12.0543 -12.0543 -12.0506 -12.0506 -3.1290 -3.1277 -3.0538 -3.0525 -1.7768 -1.7749 -1.6513 -1.6493 -0.3072 -0.3068 -0.3002 -0.2985 0.4103 0.4173 0.4716 0.4768 0.6962 0.6994 0.7043 0.7070 2.8042 2.8074 2.9041 2.9076 3.5990 3.6034 3.6693 3.6741 5.3458 5.3462 5.3617 5.3617 5.5754 5.5764 5.5907 5.5919 15.4328 15.4339 15.5858 15.5870 16.2888 16.2896 16.5192 16.5199 17.1492 17.1506 k = 0.0000 0.5707 0.5348 ( 2708 PWs) bands (ev): -14.2341 -14.2341 -14.1636 -14.1635 -13.8906 -13.8905 -13.8245 -13.8244 -12.0531 -12.0531 -12.0513 -12.0512 -3.1096 -3.1084 -3.0719 -3.0706 -1.7459 -1.7439 -1.6829 -1.6809 -0.2990 -0.2983 -0.2958 -0.2944 0.4509 0.4579 0.4886 0.4948 0.6635 0.6661 0.6743 0.6767 2.8268 2.8301 2.8769 2.8804 3.6140 3.6186 3.6493 3.6541 5.3518 5.3521 5.3598 5.3600 5.5792 5.5802 5.5868 5.5879 15.4742 15.4753 15.5522 15.5533 16.3407 16.3415 16.4578 16.4586 17.1914 17.1927 k = 0.0000 0.5707 0.5488 ( 2700 PWs) bands (ev): -14.1964 -14.1964 -14.1962 -14.1962 -13.8606 -13.8606 -13.8605 -13.8605 -12.0521 -12.0521 -12.0520 -12.0520 -3.0906 -3.0906 -3.0893 -3.0893 -1.7145 -1.7145 -1.7125 -1.7125 -0.2953 -0.2953 -0.2943 -0.2943 0.4813 0.4813 0.4882 0.4882 0.6566 0.6566 0.6588 0.6588 2.8511 2.8511 2.8545 2.8545 3.6309 3.6309 3.6356 3.6356 5.3565 5.3565 5.3568 5.3568 5.5829 5.5829 5.5841 5.5841 15.5144 15.5144 15.5156 15.5156 16.3977 16.3977 16.3984 16.3984 17.2381 17.2386 k = 0.0000 0.5707 0.5488 ( 2700 PWs) bands (ev): -14.1964 -14.1964 -14.1962 -14.1962 -13.8606 -13.8606 -13.8605 -13.8605 -12.0521 -12.0521 -12.0520 -12.0520 -3.0906 -3.0906 -3.0893 -3.0893 -1.7145 -1.7145 -1.7125 -1.7125 -0.2953 -0.2953 -0.2943 -0.2943 0.4813 0.4813 0.4882 0.4882 0.6566 0.6566 0.6588 0.6588 2.8511 2.8511 2.8545 2.8545 3.6309 3.6309 3.6356 3.6356 5.3565 5.3565 5.3568 5.3568 5.5829 5.5829 5.5841 5.5841 15.5144 15.5144 15.5156 15.5156 16.3977 16.3977 16.3984 16.3984 17.2380 17.2390 k = 0.0141 0.5707 0.5488 ( 2708 PWs) bands (ev): -14.1961 -14.1960 -14.1959 -14.1959 -13.8608 -13.8608 -13.8606 -13.8606 -12.0525 -12.0525 -12.0524 -12.0524 -3.0890 -3.0890 -3.0877 -3.0877 -1.7166 -1.7166 -1.7146 -1.7146 -0.2941 -0.2941 -0.2931 -0.2930 0.4781 0.4781 0.4849 0.4849 0.6598 0.6598 0.6620 0.6620 2.8495 2.8495 2.8528 2.8528 3.6336 3.6336 3.6382 3.6382 5.3540 5.3541 5.3560 5.3560 5.5822 5.5822 5.5844 5.5845 15.5141 15.5141 15.5152 15.5153 16.3959 16.3959 16.3967 16.3967 17.2399 17.2405 k = 0.0281 0.5707 0.5488 ( 2708 PWs) bands (ev): -14.1951 -14.1951 -14.1950 -14.1950 -13.8611 -13.8611 -13.8609 -13.8609 -12.0537 -12.0537 -12.0536 -12.0536 -3.0843 -3.0843 -3.0830 -3.0830 -1.7229 -1.7229 -1.7209 -1.7209 -0.2906 -0.2906 -0.2894 -0.2894 0.4692 0.4692 0.4757 0.4757 0.6689 0.6690 0.6710 0.6710 2.8446 2.8446 2.8480 2.8480 3.6416 3.6416 3.6462 3.6462 5.3484 5.3484 5.3521 5.3521 5.5809 5.5809 5.5848 5.5849 15.5130 15.5130 15.5142 15.5143 16.3907 16.3907 16.3917 16.3917 17.2439 17.2450 k = 0.0422 0.5707 0.5488 ( 2704 PWs) bands (ev): -14.1936 -14.1936 -14.1934 -14.1934 -13.8616 -13.8616 -13.8615 -13.8614 -12.0557 -12.0557 -12.0556 -12.0556 -3.0765 -3.0764 -3.0751 -3.0751 -1.7333 -1.7332 -1.7312 -1.7312 -0.2848 -0.2848 -0.2835 -0.2834 0.4560 0.4560 0.4621 0.4621 0.6823 0.6824 0.6844 0.6844 2.8369 2.8369 2.8402 2.8402 3.6546 3.6546 3.6592 3.6592 5.3396 5.3396 5.3450 5.3450 5.5793 5.5793 5.5849 5.5850 15.5112 15.5112 15.5125 15.5126 16.3823 16.3824 16.3835 16.3835 17.2511 17.2514 k = 0.0562 0.5707 0.5488 ( 2706 PWs) bands (ev): -14.1915 -14.1914 -14.1913 -14.1913 -13.8623 -13.8623 -13.8621 -13.8621 -12.0585 -12.0585 -12.0584 -12.0584 -3.0656 -3.0655 -3.0642 -3.0642 -1.7476 -1.7476 -1.7455 -1.7455 -0.2769 -0.2769 -0.2754 -0.2753 0.4398 0.4398 0.4456 0.4456 0.6986 0.6986 0.7006 0.7007 2.8265 2.8265 2.8299 2.8299 3.6723 3.6723 3.6769 3.6769 5.3278 5.3279 5.3346 5.3347 5.5775 5.5775 5.5846 5.5846 15.5087 15.5088 15.5102 15.5103 16.3711 16.3712 16.3725 16.3725 17.2614 17.2620 k = 0.0703 0.5707 0.5488 ( 2708 PWs) bands (ev): -14.1888 -14.1888 -14.1887 -14.1887 -13.8631 -13.8630 -13.8629 -13.8629 -12.0620 -12.0620 -12.0619 -12.0619 -3.0517 -3.0516 -3.0503 -3.0503 -1.7656 -1.7656 -1.7636 -1.7635 -0.2670 -0.2669 -0.2652 -0.2652 0.4218 0.4219 0.4273 0.4273 0.7166 0.7167 0.7187 0.7187 2.8140 2.8140 2.8174 2.8174 3.6942 3.6942 3.6987 3.6987 5.3132 5.3132 5.3211 5.3212 5.5755 5.5755 5.5838 5.5838 15.5056 15.5057 15.5072 15.5073 16.3575 16.3575 16.3590 16.3590 17.2726 17.2733 k = 0.0843 0.5707 0.5488 ( 2710 PWs) bands (ev): -14.1858 -14.1858 -14.1857 -14.1856 -13.8639 -13.8639 -13.8638 -13.8638 -12.0662 -12.0661 -12.0661 -12.0661 -3.0349 -3.0348 -3.0335 -3.0335 -1.7872 -1.7871 -1.7851 -1.7851 -0.2553 -0.2552 -0.2533 -0.2532 0.4027 0.4028 0.4080 0.4080 0.7356 0.7357 0.7378 0.7378 2.7999 2.7999 2.8032 2.8033 3.7197 3.7198 3.7242 3.7242 5.2957 5.2958 5.3046 5.3047 5.5733 5.5733 5.5826 5.5826 15.5019 15.5020 15.5037 15.5038 16.3418 16.3418 16.3435 16.3435 17.2859 17.2867 k = 0.0984 0.5707 0.5488 ( 2708 PWs) bands (ev): -14.1824 -14.1824 -14.1823 -14.1822 -13.8647 -13.8647 -13.8646 -13.8646 -12.0710 -12.0710 -12.0709 -12.0709 -3.0152 -3.0152 -3.0138 -3.0138 -1.8120 -1.8119 -1.8098 -1.8098 -0.2420 -0.2419 -0.2398 -0.2397 0.3830 0.3830 0.3880 0.3881 0.7552 0.7553 0.7574 0.7574 2.7846 2.7846 2.7879 2.7880 3.7485 3.7485 3.7529 3.7529 5.2756 5.2756 5.2852 5.2852 5.5709 5.5709 5.5810 5.5810 15.4976 15.4977 15.4996 15.4997 16.3245 16.3246 16.3264 16.3264 17.3003 17.3011 k = 0.1125 0.5707 0.5488 ( 2710 PWs) bands (ev): -14.1788 -14.1788 -14.1787 -14.1786 -13.8654 -13.8654 -13.8653 -13.8652 -12.0765 -12.0764 -12.0764 -12.0764 -2.9930 -2.9929 -2.9915 -2.9915 -1.8397 -1.8397 -1.8376 -1.8375 -0.2273 -0.2272 -0.2249 -0.2248 0.3630 0.3630 0.3679 0.3679 0.7749 0.7750 0.7771 0.7772 2.7685 2.7686 2.7718 2.7719 3.7799 3.7800 3.7842 3.7843 5.2529 5.2530 5.2630 5.2630 5.5683 5.5683 5.5789 5.5789 15.4929 15.4930 15.4950 15.4952 16.3061 16.3062 16.3081 16.3081 17.3158 17.3163 k = 0.1265 0.5707 0.5488 ( 2710 PWs) bands (ev): -14.1751 -14.1751 -14.1750 -14.1749 -13.8658 -13.8658 -13.8657 -13.8657 -12.0824 -12.0824 -12.0824 -12.0824 -2.9681 -2.9681 -2.9667 -2.9667 -1.8701 -1.8700 -1.8679 -1.8679 -0.2114 -0.2114 -0.2088 -0.2088 0.3429 0.3429 0.3476 0.3477 0.7945 0.7946 0.7967 0.7968 2.7522 2.7522 2.7554 2.7555 3.8136 3.8137 3.8178 3.8178 5.2279 5.2279 5.2382 5.2382 5.5655 5.5655 5.5764 5.5764 15.4878 15.4879 15.4901 15.4902 16.2869 16.2869 16.2890 16.2890 17.3317 17.3322 k = 0.1406 0.5707 0.5488 ( 2712 PWs) bands (ev): -14.1715 -14.1715 -14.1714 -14.1713 -13.8659 -13.8658 -13.8657 -13.8657 -12.0889 -12.0889 -12.0889 -12.0888 -2.9410 -2.9410 -2.9395 -2.9395 -1.9028 -1.9028 -1.9006 -1.9006 -0.1946 -0.1946 -0.1918 -0.1918 0.3229 0.3229 0.3275 0.3275 0.8139 0.8139 0.8160 0.8161 2.7358 2.7359 2.7391 2.7391 3.8491 3.8492 3.8532 3.8532 5.2007 5.2007 5.2110 5.2111 5.5625 5.5625 5.5735 5.5735 15.4823 15.4824 15.4847 15.4849 16.2671 16.2672 16.2693 16.2694 17.3489 17.3493 k = 0.1546 0.5707 0.5488 ( 2708 PWs) bands (ev): -14.1682 -14.1682 -14.1681 -14.1680 -13.8653 -13.8653 -13.8652 -13.8651 -12.0958 -12.0958 -12.0957 -12.0957 -2.9117 -2.9117 -2.9102 -2.9102 -1.9375 -1.9375 -1.9353 -1.9353 -0.1770 -0.1770 -0.1741 -0.1740 0.3031 0.3031 0.3076 0.3077 0.8327 0.8327 0.8348 0.8349 2.7198 2.7198 2.7230 2.7230 3.8861 3.8861 3.8900 3.8900 5.1715 5.1715 5.1818 5.1818 5.5592 5.5592 5.5702 5.5703 15.4766 15.4767 15.4792 15.4793 16.2471 16.2472 16.2494 16.2494 17.3638 17.3651 k = 0.1687 0.5707 0.5488 ( 2710 PWs) bands (ev): -14.1654 -14.1653 -14.1653 -14.1652 -13.8640 -13.8639 -13.8638 -13.8638 -12.1030 -12.1030 -12.1030 -12.1030 -2.8806 -2.8806 -2.8790 -2.8790 -1.9740 -1.9739 -1.9717 -1.9716 -0.1588 -0.1588 -0.1557 -0.1556 0.2836 0.2837 0.2881 0.2881 0.8508 0.8509 0.8530 0.8530 2.7044 2.7044 2.7075 2.7076 3.9240 3.9241 3.9278 3.9279 5.1405 5.1405 5.1507 5.1507 5.5556 5.5556 5.5666 5.5666 15.4707 15.4709 15.4734 15.4736 16.2271 16.2272 16.2294 16.2295 17.3798 17.3810 k = 0.1827 0.5707 0.5488 ( 2714 PWs) bands (ev): -14.1633 -14.1633 -14.1632 -14.1631 -13.8617 -13.8616 -13.8615 -13.8615 -12.1105 -12.1105 -12.1105 -12.1105 -2.8480 -2.8480 -2.8464 -2.8463 -2.0117 -2.0116 -2.0094 -2.0093 -0.1402 -0.1401 -0.1369 -0.1368 0.2646 0.2646 0.2690 0.2690 0.8682 0.8682 0.8703 0.8703 2.6898 2.6899 2.6929 2.6930 3.9627 3.9628 3.9664 3.9664 5.1080 5.1081 5.1180 5.1180 5.5517 5.5517 5.5625 5.5625 15.4648 15.4649 15.4676 15.4678 16.2072 16.2073 16.2095 16.2096 17.3962 17.3972 k = 0.1968 0.5707 0.5488 ( 2720 PWs) bands (ev): -14.1622 -14.1621 -14.1620 -14.1620 -13.8582 -13.8581 -13.8581 -13.8580 -12.1182 -12.1182 -12.1182 -12.1182 -2.8142 -2.8142 -2.8125 -2.8125 -2.0502 -2.0502 -2.0479 -2.0479 -0.1211 -0.1210 -0.1176 -0.1176 0.2460 0.2460 0.2503 0.2503 0.8846 0.8846 0.8866 0.8866 2.6763 2.6764 2.6793 2.6794 4.0018 4.0018 4.0053 4.0053 5.0744 5.0745 5.0841 5.0841 5.5475 5.5476 5.5581 5.5581 15.4589 15.4590 15.4618 15.4620 16.1875 16.1876 16.1899 16.1900 17.4113 17.4128 k = 0.2109 0.5707 0.5488 ( 2714 PWs) bands (ev): -14.1623 -14.1622 -14.1621 -14.1620 -13.8533 -13.8533 -13.8532 -13.8531 -12.1260 -12.1260 -12.1260 -12.1260 -2.7798 -2.7798 -2.7781 -2.7780 -2.0892 -2.0891 -2.0868 -2.0868 -0.1017 -0.1017 -0.0982 -0.0981 0.2278 0.2279 0.2321 0.2322 0.8999 0.8999 0.9018 0.9019 2.6640 2.6641 2.6670 2.6670 4.0409 4.0409 4.0442 4.0442 5.0400 5.0400 5.0493 5.0493 5.5431 5.5431 5.5534 5.5535 15.4532 15.4533 15.4562 15.4563 16.1682 16.1683 16.1706 16.1707 17.4266 17.4281 k = 0.2249 0.5707 0.5488 ( 2716 PWs) bands (ev): -14.1637 -14.1636 -14.1635 -14.1635 -13.8469 -13.8468 -13.8468 -13.8467 -12.1339 -12.1339 -12.1338 -12.1338 -2.7455 -2.7455 -2.7437 -2.7436 -2.1278 -2.1278 -2.1254 -2.1254 -0.0822 -0.0821 -0.0785 -0.0784 0.2103 0.2103 0.2145 0.2146 0.9139 0.9139 0.9158 0.9159 2.6531 2.6532 2.6560 2.6561 4.0796 4.0797 4.0827 4.0827 5.0050 5.0051 5.0140 5.0141 5.5384 5.5384 5.5484 5.5485 15.4476 15.4478 15.4507 15.4508 16.1493 16.1494 16.1517 16.1518 17.4416 17.4434 k = 0.2390 0.5707 0.5488 ( 2712 PWs) bands (ev): -14.1666 -14.1666 -14.1665 -14.1664 -13.8388 -13.8387 -13.8387 -13.8386 -12.1417 -12.1417 -12.1416 -12.1416 -2.7122 -2.7122 -2.7103 -2.7103 -2.1652 -2.1652 -2.1628 -2.1628 -0.0624 -0.0623 -0.0586 -0.0585 0.1932 0.1933 0.1975 0.1975 0.9266 0.9266 0.9284 0.9285 2.6437 2.6438 2.6465 2.6466 4.1176 4.1177 4.1204 4.1204 4.9701 4.9702 4.9788 4.9788 5.5334 5.5335 5.5432 5.5432 15.4424 15.4425 15.4455 15.4457 16.1309 16.1310 16.1333 16.1334 17.4566 17.4578 k = 0.2530 0.5707 0.5488 ( 2718 PWs) bands (ev): -14.1712 -14.1711 -14.1710 -14.1709 -13.8289 -13.8289 -13.8288 -13.8287 -12.1494 -12.1494 -12.1494 -12.1493 -2.6814 -2.6813 -2.6795 -2.6795 -2.2000 -2.1999 -2.1976 -2.1976 -0.0424 -0.0424 -0.0385 -0.0385 0.1768 0.1768 0.1811 0.1811 0.9377 0.9377 0.9395 0.9395 2.6360 2.6360 2.6387 2.6388 4.1544 4.1544 4.1569 4.1569 4.9358 4.9358 4.9440 4.9441 5.5282 5.5283 5.5377 5.5377 15.4374 15.4376 15.4407 15.4408 16.1130 16.1131 16.1154 16.1155 17.4717 17.4726 k = 0.2671 0.5707 0.5488 ( 2720 PWs) bands (ev): -14.1774 -14.1773 -14.1772 -14.1771 -13.8173 -13.8173 -13.8172 -13.8171 -12.1569 -12.1569 -12.1569 -12.1569 -2.6551 -2.6550 -2.6532 -2.6532 -2.2302 -2.2301 -2.2279 -2.2278 -0.0223 -0.0222 -0.0183 -0.0183 0.1610 0.1610 0.1652 0.1653 0.9471 0.9472 0.9489 0.9489 2.6300 2.6300 2.6326 2.6327 4.1893 4.1894 4.1915 4.1916 4.9025 4.9026 4.9104 4.9105 5.5229 5.5229 5.5320 5.5320 15.4330 15.4331 15.4362 15.4364 16.0957 16.0958 16.0980 16.0982 17.4856 17.4868 k = 0.2811 0.5707 0.5488 ( 2718 PWs) bands (ev): -14.1852 -14.1851 -14.1850 -14.1850 -13.8039 -13.8039 -13.8038 -13.8037 -12.1642 -12.1642 -12.1642 -12.1641 -2.6361 -2.6361 -2.6344 -2.6344 -2.2530 -2.2529 -2.2508 -2.2507 -0.0020 -0.0019 0.0020 0.0021 0.1458 0.1458 0.1500 0.1501 0.9548 0.9548 0.9565 0.9565 2.6258 2.6259 2.6284 2.6285 4.2219 4.2219 4.2237 4.2237 4.8712 4.8713 4.8788 4.8788 5.5174 5.5174 5.5262 5.5263 15.4289 15.4291 15.4322 15.4324 16.0790 16.0792 16.0813 16.0815 17.5002 17.5011 k = 0.2952 0.5707 0.5488 ( 2720 PWs) bands (ev): -14.1946 -14.1946 -14.1945 -14.1944 -13.7889 -13.7888 -13.7888 -13.7887 -12.1712 -12.1712 -12.1711 -12.1711 -2.6279 -2.6279 -2.6264 -2.6264 -2.2652 -2.2651 -2.2632 -2.2631 0.0185 0.0186 0.0225 0.0225 0.1313 0.1314 0.1356 0.1356 0.9604 0.9605 0.9622 0.9622 2.6236 2.6237 2.6261 2.6262 4.2511 4.2511 4.2526 4.2526 4.8426 4.8427 4.8499 4.8500 5.5118 5.5118 5.5204 5.5204 15.4253 15.4255 15.4286 15.4288 16.0630 16.0632 16.0653 16.0654 17.5139 17.5146 k = 0.3093 0.5707 0.5488 ( 2720 PWs) bands (ev): -14.2056 -14.2055 -14.2054 -14.2053 -13.7722 -13.7722 -13.7721 -13.7720 -12.1778 -12.1778 -12.1777 -12.1777 -2.6328 -2.6327 -2.6316 -2.6315 -2.2646 -2.2645 -2.2629 -2.2628 0.0389 0.0390 0.0427 0.0428 0.1180 0.1180 0.1221 0.1222 0.9641 0.9641 0.9658 0.9658 2.6234 2.6235 2.6258 2.6259 4.2761 4.2761 4.2771 4.2771 4.8179 4.8179 4.8249 4.8250 5.5062 5.5063 5.5146 5.5147 15.4222 15.4224 15.4255 15.4257 16.0478 16.0479 16.0500 16.0501 17.5279 17.5285 k = 0.3233 0.5707 0.5488 ( 2722 PWs) bands (ev): -14.2180 -14.2179 -14.2178 -14.2177 -13.7541 -13.7540 -13.7540 -13.7539 -12.1839 -12.1839 -12.1839 -12.1839 -2.6505 -2.6505 -2.6496 -2.6495 -2.2516 -2.2515 -2.2501 -2.2500 0.0582 0.0583 0.0613 0.0613 0.1071 0.1072 0.1109 0.1110 0.9655 0.9656 0.9673 0.9673 2.6253 2.6253 2.6276 2.6277 4.2959 4.2959 4.2964 4.2964 4.7980 4.7980 4.8048 4.8049 5.5008 5.5008 5.5090 5.5090 15.4195 15.4196 15.4228 15.4230 16.0334 16.0335 16.0355 16.0357 17.5415 17.5421 k = 0.3374 0.5707 0.5488 ( 2716 PWs) bands (ev): -14.2316 -14.2316 -14.2315 -14.2314 -13.7346 -13.7345 -13.7345 -13.7344 -12.1896 -12.1896 -12.1896 -12.1896 -2.6789 -2.6788 -2.6780 -2.6780 -2.2287 -2.2286 -2.2273 -2.2272 0.0708 0.0709 0.0714 0.0715 0.1050 0.1052 0.1080 0.1081 0.9647 0.9648 0.9665 0.9665 2.6292 2.6293 2.6315 2.6316 4.3093 4.3093 4.3094 4.3095 4.7839 4.7840 4.7907 4.7907 5.4956 5.4956 5.5036 5.5037 15.4171 15.4173 15.4204 15.4206 16.0199 16.0201 16.0220 16.0222 17.5549 17.5558 k = 0.3374 0.5707 0.5488 ( 2716 PWs) bands (ev): -14.2316 -14.2316 -14.2315 -14.2314 -13.7346 -13.7345 -13.7345 -13.7344 -12.1896 -12.1896 -12.1896 -12.1896 -2.6789 -2.6788 -2.6780 -2.6780 -2.2287 -2.2286 -2.2273 -2.2272 0.0708 0.0709 0.0714 0.0715 0.1050 0.1052 0.1080 0.1081 0.9647 0.9648 0.9665 0.9665 2.6292 2.6293 2.6315 2.6316 4.3093 4.3093 4.3094 4.3095 4.7839 4.7840 4.7907 4.7907 5.4956 5.4956 5.5036 5.5037 15.4171 15.4173 15.4204 15.4206 16.0199 16.0201 16.0220 16.0222 17.5550 17.5559 k = 0.3300 0.5583 0.5488 ( 2722 PWs) bands (ev): -14.2023 -14.2022 -14.2021 -14.2020 -13.7754 -13.7753 -13.7752 -13.7752 -12.1787 -12.1787 -12.1787 -12.1787 -2.6127 -2.6126 -2.6118 -2.6117 -2.2832 -2.2831 -2.2818 -2.2817 0.0642 0.0643 0.0648 0.0649 0.0918 0.0919 0.0946 0.0948 0.9689 0.9689 0.9706 0.9706 2.6199 2.6200 2.6223 2.6224 4.2901 4.2901 4.2902 4.2903 4.8050 4.8051 4.8119 4.8120 5.5061 5.5061 5.5144 5.5144 15.4215 15.4217 15.4248 15.4250 16.0456 16.0457 16.0478 16.0479 17.5297 17.5307 k = 0.3227 0.5459 0.5488 ( 2722 PWs) bands (ev): -14.1719 -14.1718 -14.1717 -14.1717 -13.8164 -13.8164 -13.8163 -13.8162 -12.1679 -12.1679 -12.1679 -12.1679 -2.5458 -2.5457 -2.5449 -2.5448 -2.3388 -2.3387 -2.3374 -2.3373 0.0576 0.0578 0.0582 0.0584 0.0764 0.0766 0.0792 0.0793 0.9736 0.9737 0.9752 0.9752 2.6123 2.6124 2.6148 2.6149 4.2722 4.2723 4.2724 4.2724 4.8245 4.8246 4.8316 4.8316 5.5172 5.5173 5.5257 5.5257 15.4256 15.4258 15.4290 15.4292 16.0702 16.0704 16.0725 16.0727 17.5077 17.5084 k = 0.3154 0.5335 0.5488 ( 2720 PWs) bands (ev): -14.1405 -14.1405 -14.1404 -14.1403 -13.8577 -13.8576 -13.8575 -13.8575 -12.1572 -12.1572 -12.1572 -12.1572 -2.4785 -2.4784 -2.4775 -2.4774 -2.3955 -2.3954 -2.3941 -2.3940 0.0504 0.0505 0.0506 0.0506 0.0603 0.0605 0.0624 0.0625 0.9789 0.9790 0.9804 0.9805 2.6066 2.6067 2.6092 2.6093 4.2558 4.2558 4.2559 4.2559 4.8423 4.8424 4.8495 4.8495 5.5290 5.5291 5.5376 5.5376 15.4294 15.4296 15.4328 15.4329 16.0936 16.0938 16.0960 16.0961 17.4883 17.4887 k = 0.3080 0.5211 0.5488 ( 2724 PWs) bands (ev): -14.1082 -14.1082 -14.1081 -14.1080 -13.8990 -13.8990 -13.8989 -13.8988 -12.1466 -12.1466 -12.1466 -12.1466 -2.4533 -2.4532 -2.4519 -2.4518 -2.4107 -2.4106 -2.4097 -2.4096 0.0350 0.0351 0.0368 0.0370 0.0500 0.0500 0.0501 0.0501 0.9850 0.9850 0.9863 0.9864 2.6029 2.6030 2.6056 2.6057 4.2409 4.2409 4.2410 4.2410 4.8584 4.8584 4.8655 4.8655 5.5415 5.5416 5.5502 5.5502 15.4326 15.4328 15.4360 15.4362 16.1156 16.1157 16.1180 16.1182 17.4732 17.4742 k = 0.3007 0.5086 0.5488 ( 2720 PWs) bands (ev): -14.0751 -14.0750 -14.0749 -14.0748 -13.9404 -13.9403 -13.9403 -13.9402 -12.1362 -12.1361 -12.1361 -12.1361 -2.5118 -2.5117 -2.5104 -2.5103 -2.3432 -2.3431 -2.3421 -2.3420 0.0129 0.0130 0.0151 0.0153 0.0437 0.0438 0.0442 0.0443 0.9917 0.9918 0.9930 0.9931 2.6013 2.6014 2.6041 2.6042 4.2275 4.2276 4.2277 4.2277 4.8725 4.8725 4.8796 4.8797 5.5547 5.5547 5.5634 5.5634 15.4352 15.4354 15.4385 15.4387 16.1360 16.1361 16.1385 16.1386 17.4616 17.4627 k = 0.2934 0.4962 0.5488 ( 2724 PWs) bands (ev): -14.0410 -14.0409 -14.0409 -14.0408 -13.9817 -13.9817 -13.9816 -13.9815 -12.1258 -12.1258 -12.1258 -12.1258 -2.5712 -2.5711 -2.5698 -2.5697 -2.2758 -2.2757 -2.2747 -2.2746 -0.0122 -0.0121 -0.0100 -0.0099 0.0388 0.0390 0.0394 0.0396 0.9993 0.9993 1.0004 1.0005 2.6019 2.6020 2.6047 2.6048 4.2158 4.2159 4.2160 4.2160 4.8847 4.8847 4.8917 4.8918 5.5685 5.5686 5.5772 5.5772 15.4368 15.4370 15.4402 15.4403 16.1547 16.1548 16.1572 16.1573 17.4541 17.4554 k = 0.2860 0.4838 0.5488 ( 2728 PWs) bands (ev): -14.0229 -14.0228 -14.0228 -14.0227 -14.0062 -14.0061 -14.0060 -14.0060 -12.1156 -12.1156 -12.1156 -12.1155 -2.6313 -2.6312 -2.6300 -2.6299 -2.2089 -2.2088 -2.2078 -2.2077 -0.0398 -0.0397 -0.0377 -0.0375 0.0347 0.0348 0.0353 0.0354 1.0077 1.0077 1.0087 1.0088 2.6048 2.6049 2.6077 2.6078 4.2058 4.2058 4.2059 4.2059 4.8949 4.8950 4.9019 4.9019 5.5830 5.5830 5.5915 5.5915 15.4375 15.4377 15.4408 15.4410 16.1717 16.1718 16.1743 16.1744 17.4506 17.4516 k = 0.2787 0.4714 0.5488 ( 2724 PWs) bands (ev): -14.0639 -14.0638 -14.0637 -14.0637 -13.9706 -13.9705 -13.9705 -13.9704 -12.1055 -12.1055 -12.1055 -12.1055 -2.6921 -2.6920 -2.6908 -2.6907 -2.1426 -2.1426 -2.1415 -2.1414 -0.0697 -0.0695 -0.0676 -0.0675 0.0311 0.0312 0.0318 0.0319 1.0169 1.0169 1.0178 1.0178 2.6100 2.6101 2.6130 2.6130 4.1974 4.1974 4.1975 4.1975 4.9033 4.9033 4.9100 4.9101 5.5980 5.5980 5.6064 5.6064 15.4371 15.4373 15.4403 15.4405 16.1870 16.1871 16.1896 16.1897 17.4508 17.4517 k = 0.2714 0.4590 0.5488 ( 2728 PWs) bands (ev): -14.1046 -14.1045 -14.1044 -14.1043 -13.9344 -13.9343 -13.9342 -13.9341 -12.0956 -12.0956 -12.0956 -12.0955 -2.7535 -2.7534 -2.7522 -2.7521 -2.0773 -2.0772 -2.0761 -2.0761 -0.1017 -0.1016 -0.0998 -0.0996 0.0281 0.0282 0.0288 0.0289 1.0268 1.0269 1.0277 1.0277 2.6176 2.6177 2.6206 2.6207 4.1906 4.1907 4.1908 4.1908 4.9097 4.9097 4.9162 4.9163 5.6135 5.6135 5.6217 5.6217 15.4355 15.4357 15.4386 15.4389 16.2009 16.2010 16.2035 16.2036 17.4547 17.4552 k = 0.2640 0.4466 0.5488 ( 2726 PWs) bands (ev): -14.1449 -14.1448 -14.1447 -14.1447 -13.8975 -13.8974 -13.8973 -13.8972 -12.0858 -12.0858 -12.0858 -12.0858 -2.8154 -2.8153 -2.8142 -2.8140 -2.0130 -2.0130 -2.0119 -2.0118 -0.1357 -0.1355 -0.1338 -0.1337 0.0256 0.0257 0.0263 0.0264 1.0376 1.0377 1.0384 1.0384 2.6276 2.6277 2.6307 2.6308 4.1855 4.1856 4.1857 4.1857 4.9143 4.9143 4.9206 4.9206 5.6294 5.6294 5.6374 5.6374 15.4325 15.4327 15.4356 15.4359 16.2134 16.2135 16.2160 16.2161 17.4618 17.4630 k = 0.2567 0.4342 0.5488 ( 2726 PWs) bands (ev): -14.1848 -14.1847 -14.1846 -14.1846 -13.8600 -13.8600 -13.8599 -13.8598 -12.0762 -12.0762 -12.0762 -12.0761 -2.8778 -2.8777 -2.8765 -2.8764 -1.9501 -1.9500 -1.9489 -1.9488 -0.1714 -0.1713 -0.1697 -0.1695 0.0237 0.0238 0.0244 0.0245 1.0492 1.0493 1.0498 1.0499 2.6400 2.6401 2.6432 2.6433 4.1820 4.1821 4.1821 4.1822 4.9172 4.9172 4.9232 4.9233 5.6456 5.6456 5.6533 5.6534 15.4282 15.4284 15.4313 15.4315 16.2248 16.2249 16.2274 16.2275 17.4720 17.4737 k = 0.2494 0.4218 0.5488 ( 2718 PWs) bands (ev): -14.2242 -14.2241 -14.2241 -14.2240 -13.8221 -13.8220 -13.8219 -13.8218 -12.0668 -12.0667 -12.0667 -12.0667 -2.9405 -2.9404 -2.9392 -2.9391 -1.8886 -1.8885 -1.8873 -1.8872 -0.2087 -0.2086 -0.2071 -0.2070 0.0223 0.0224 0.0230 0.0231 1.0614 1.0615 1.0619 1.0620 2.6549 2.6550 2.6581 2.6582 4.1800 4.1801 4.1801 4.1802 4.9185 4.9185 4.9243 4.9243 5.6620 5.6620 5.6695 5.6695 15.4225 15.4227 15.4255 15.4257 16.2355 16.2356 16.2381 16.2381 17.4848 17.4855 k = 0.2420 0.4094 0.5488 ( 2714 PWs) bands (ev): -14.2631 -14.2630 -14.2629 -14.2629 -13.7837 -13.7836 -13.7835 -13.7834 -12.0575 -12.0575 -12.0575 -12.0574 -3.0034 -3.0033 -3.0022 -3.0021 -1.8287 -1.8286 -1.8274 -1.8273 -0.2474 -0.2473 -0.2459 -0.2457 0.0215 0.0216 0.0222 0.0223 1.0743 1.0744 1.0747 1.0748 2.6721 2.6722 2.6753 2.6754 4.1794 4.1795 4.1795 4.1796 4.9184 4.9184 4.9238 4.9239 5.6785 5.6785 5.6857 5.6857 15.4153 15.4155 15.4183 15.4185 16.2458 16.2459 16.2483 16.2483 17.4992 17.5009 k = 0.2347 0.3970 0.5488 ( 2718 PWs) bands (ev): -14.3013 -14.3013 -14.3012 -14.3011 -13.7449 -13.7448 -13.7447 -13.7447 -12.0484 -12.0484 -12.0484 -12.0483 -3.0665 -3.0664 -3.0654 -3.0653 -1.7705 -1.7704 -1.7693 -1.7692 -0.2872 -0.2871 -0.2858 -0.2857 0.0212 0.0213 0.0219 0.0220 1.0877 1.0878 1.0881 1.0881 2.6916 2.6917 2.6949 2.6949 4.1802 4.1803 4.1803 4.1804 4.9169 4.9170 4.9221 4.9221 5.6950 5.6950 5.7019 5.7019 15.4068 15.4070 15.4096 15.4099 16.2559 16.2560 16.2583 16.2584 17.5146 17.5167 k = 0.2274 0.3846 0.5488 ( 2710 PWs) bands (ev): -14.3389 -14.3389 -14.3388 -14.3387 -13.7058 -13.7058 -13.7057 -13.7056 -12.0395 -12.0395 -12.0395 -12.0395 -3.1297 -3.1296 -3.1286 -3.1285 -1.7143 -1.7142 -1.7130 -1.7129 -0.3279 -0.3278 -0.3266 -0.3265 0.0214 0.0215 0.0221 0.0222 1.1016 1.1017 1.1019 1.1020 2.7132 2.7133 2.7166 2.7166 4.1822 4.1824 4.1824 4.1825 4.9145 4.9145 4.9193 4.9194 5.7113 5.7114 5.7180 5.7180 15.3968 15.3971 15.3996 15.3998 16.2662 16.2663 16.2686 16.2687 17.5310 17.5326 k = 0.2200 0.3722 0.5488 ( 2706 PWs) bands (ev): -14.3758 -14.3758 -14.3757 -14.3756 -13.6666 -13.6665 -13.6664 -13.6663 -12.0308 -12.0308 -12.0308 -12.0308 -3.1929 -3.1928 -3.1918 -3.1917 -1.6600 -1.6599 -1.6587 -1.6586 -0.3694 -0.3693 -0.3681 -0.3680 0.0222 0.0223 0.0228 0.0230 1.1160 1.1161 1.1162 1.1163 2.7369 2.7370 2.7403 2.7404 4.1855 4.1856 4.1856 4.1857 4.9111 4.9112 4.9157 4.9157 5.7275 5.7275 5.7338 5.7339 15.3855 15.3858 15.3882 15.3885 16.2771 16.2772 16.2794 16.2795 17.5476 17.5495 k = 0.2127 0.3598 0.5488 ( 2706 PWs) bands (ev): -14.4119 -14.4119 -14.4118 -14.4117 -13.6271 -13.6270 -13.6270 -13.6269 -12.0223 -12.0223 -12.0223 -12.0223 -3.2560 -3.2559 -3.2549 -3.2548 -1.6079 -1.6077 -1.6066 -1.6064 -0.4113 -0.4112 -0.4101 -0.4100 0.0234 0.0235 0.0241 0.0242 1.1308 1.1309 1.1309 1.1310 2.7625 2.7626 2.7659 2.7659 4.1898 4.1899 4.1900 4.1901 4.9071 4.9072 4.9114 4.9114 5.7433 5.7434 5.7494 5.7494 15.3730 15.3733 15.3756 15.3759 16.2887 16.2888 16.2909 16.2910 17.5636 17.5654 k = 0.2054 0.3474 0.5488 ( 2706 PWs) bands (ev): -14.4473 -14.4472 -14.4471 -14.4470 -13.5877 -13.5876 -13.5875 -13.5874 -12.0141 -12.0140 -12.0140 -12.0140 -3.3188 -3.3187 -3.3178 -3.3177 -1.5579 -1.5577 -1.5566 -1.5564 -0.4534 -0.4533 -0.4523 -0.4522 0.0251 0.0253 0.0258 0.0259 1.1458 1.1459 1.1459 1.1460 2.7897 2.7898 2.7931 2.7931 4.1952 4.1953 4.1953 4.1954 4.9027 4.9028 4.9067 4.9067 5.7588 5.7588 5.7645 5.7645 15.3593 15.3596 15.3618 15.3621 16.3013 16.3014 16.3035 16.3036 17.5761 17.5772 k = 0.1980 0.3350 0.5488 ( 2702 PWs) bands (ev): -14.4817 -14.4816 -14.4815 -14.4815 -13.5482 -13.5481 -13.5481 -13.5480 -12.0060 -12.0060 -12.0060 -12.0059 -3.3813 -3.3812 -3.3803 -3.3802 -1.5101 -1.5099 -1.5088 -1.5086 -0.4957 -0.4956 -0.4946 -0.4945 0.0274 0.0275 0.0280 0.0281 1.1610 1.1611 1.1611 1.1612 2.8183 2.8184 2.8217 2.8217 4.2014 4.2015 4.2016 4.2017 4.8981 4.8982 4.9018 4.9018 5.7737 5.7737 5.7792 5.7792 15.3445 15.3448 15.3469 15.3472 16.3152 16.3153 16.3173 16.3174 17.5878 17.5893 k = 0.1907 0.3226 0.5488 ( 2714 PWs) bands (ev): -14.5153 -14.5152 -14.5151 -14.5150 -13.5089 -13.5088 -13.5087 -13.5086 -11.9982 -11.9981 -11.9981 -11.9981 -3.4433 -3.4432 -3.4424 -3.4422 -1.4645 -1.4644 -1.4632 -1.4631 -0.5377 -0.5376 -0.5368 -0.5367 0.0300 0.0302 0.0307 0.0308 1.1764 1.1764 1.1765 1.1765 2.8480 2.8481 2.8514 2.8514 4.2084 4.2085 4.2086 4.2087 4.8936 4.8937 4.8970 4.8971 5.7880 5.7881 5.7932 5.7933 15.3287 15.3290 15.3310 15.3313 16.3304 16.3305 16.3325 16.3326 17.5957 17.5993 k = 0.1834 0.3102 0.5488 ( 2722 PWs) bands (ev): -14.5479 -14.5478 -14.5477 -14.5476 -13.4698 -13.4697 -13.4696 -13.4695 -11.9906 -11.9906 -11.9905 -11.9905 -3.5048 -3.5047 -3.5038 -3.5037 -1.4213 -1.4211 -1.4200 -1.4199 -0.5795 -0.5794 -0.5786 -0.5785 0.0331 0.0333 0.0337 0.0339 1.1918 1.1918 1.1919 1.1919 2.8785 2.8786 2.8819 2.8820 4.2161 4.2162 4.2163 4.2164 4.8895 4.8895 4.8926 4.8927 5.8017 5.8018 5.8067 5.8067 15.3121 15.3124 15.3143 15.3146 16.3471 16.3472 16.3491 16.3492 17.5999 17.6005 k = 0.1760 0.2977 0.5488 ( 2722 PWs) bands (ev): -14.5795 -14.5794 -14.5793 -14.5792 -13.4310 -13.4309 -13.4308 -13.4307 -11.9832 -11.9832 -11.9832 -11.9831 -3.5655 -3.5654 -3.5646 -3.5645 -1.3803 -1.3801 -1.3790 -1.3789 -0.6207 -0.6206 -0.6199 -0.6198 0.0366 0.0368 0.0372 0.0374 1.2072 1.2073 1.2073 1.2074 2.9096 2.9097 2.9129 2.9130 4.2244 4.2245 4.2245 4.2247 4.8859 4.8860 4.8888 4.8889 5.8147 5.8148 5.8194 5.8194 15.2948 15.2950 15.2969 15.2972 16.3654 16.3655 16.3674 16.3675 17.5999 17.6015 k = 0.1687 0.2853 0.5488 ( 2738 PWs) bands (ev): -14.6101 -14.6100 -14.6099 -14.6098 -13.3926 -13.3925 -13.3924 -13.3923 -11.9761 -11.9761 -11.9761 -11.9760 -3.6254 -3.6253 -3.6245 -3.6244 -1.3415 -1.3414 -1.3403 -1.3401 -0.6612 -0.6611 -0.6605 -0.6604 0.0405 0.0407 0.0411 0.0412 1.2225 1.2226 1.2227 1.2227 2.9408 2.9409 2.9441 2.9442 4.2331 4.2332 4.2333 4.2334 4.8833 4.8833 4.8859 4.8860 5.8269 5.8269 5.8313 5.8314 15.2768 15.2771 15.2788 15.2791 16.3852 16.3853 16.3872 16.3873 17.5948 17.5992 k = 0.1614 0.2729 0.5488 ( 2738 PWs) bands (ev): -14.6396 -14.6395 -14.6394 -14.6394 -13.3547 -13.3546 -13.3545 -13.3545 -11.9692 -11.9692 -11.9692 -11.9692 -3.6843 -3.6842 -3.6834 -3.6833 -1.3050 -1.3049 -1.3038 -1.3037 -0.7009 -0.7009 -0.7002 -0.7001 0.0448 0.0450 0.0454 0.0455 1.2378 1.2379 1.2379 1.2380 2.9718 2.9719 2.9750 2.9751 4.2423 4.2424 4.2425 4.2426 4.8817 4.8817 4.8842 4.8842 5.8383 5.8383 5.8425 5.8425 15.2584 15.2587 15.2604 15.2607 16.4067 16.4068 16.4086 16.4087 17.5844 17.5852 k = 0.1540 0.2605 0.5488 ( 2738 PWs) bands (ev): -14.6680 -14.6680 -14.6679 -14.6678 -13.3174 -13.3173 -13.3173 -13.3172 -11.9626 -11.9626 -11.9626 -11.9626 -3.7420 -3.7419 -3.7412 -3.7411 -1.2707 -1.2706 -1.2696 -1.2694 -0.7397 -0.7396 -0.7390 -0.7389 0.0494 0.0496 0.0499 0.0501 1.2528 1.2529 1.2530 1.2531 3.0023 3.0023 3.0054 3.0055 4.2517 4.2518 4.2519 4.2520 4.8815 4.8815 4.8838 4.8838 5.8488 5.8488 5.8528 5.8528 15.2397 15.2400 15.2416 15.2418 16.4295 16.4296 16.4315 16.4316 17.5686 17.5687 k = 0.1467 0.2481 0.5488 ( 2738 PWs) bands (ev): -14.6953 -14.6953 -14.6952 -14.6951 -13.2809 -13.2808 -13.2807 -13.2806 -11.9563 -11.9563 -11.9563 -11.9562 -3.7985 -3.7984 -3.7977 -3.7976 -1.2386 -1.2385 -1.2375 -1.2373 -0.7773 -0.7772 -0.7767 -0.7766 0.0544 0.0545 0.0549 0.0550 1.2676 1.2677 1.2678 1.2679 3.0318 3.0319 3.0349 3.0350 4.2613 4.2614 4.2615 4.2617 4.8829 4.8829 4.8850 4.8850 5.8584 5.8584 5.8622 5.8622 15.2208 15.2211 15.2226 15.2229 16.4538 16.4539 16.4557 16.4558 17.5479 17.5485 k = 0.1394 0.2357 0.5488 ( 2734 PWs) bands (ev): -14.7215 -14.7215 -14.7213 -14.7213 -13.2451 -13.2450 -13.2450 -13.2449 -11.9502 -11.9502 -11.9502 -11.9502 -3.8535 -3.8534 -3.8528 -3.8527 -1.2086 -1.2085 -1.2075 -1.2074 -0.8137 -0.8136 -0.8131 -0.8130 0.0596 0.0597 0.0600 0.0602 1.2821 1.2822 1.2822 1.2824 3.0601 3.0602 3.0632 3.0632 4.2711 4.2712 4.2713 4.2714 4.8860 4.8860 4.8879 4.8880 5.8671 5.8671 5.8707 5.8707 15.2019 15.2022 15.2035 15.2038 16.4791 16.4792 16.4811 16.4812 17.5221 17.5224 k = 0.1320 0.2233 0.5488 ( 2730 PWs) bands (ev): -14.7465 -14.7464 -14.7463 -14.7463 -13.2103 -13.2103 -13.2102 -13.2101 -11.9445 -11.9444 -11.9444 -11.9444 -3.9070 -3.9069 -3.9063 -3.9062 -1.1807 -1.1806 -1.1796 -1.1795 -0.8487 -0.8486 -0.8482 -0.8481 0.0650 0.0652 0.0655 0.0656 1.2962 1.2963 1.2964 1.2965 3.0869 3.0870 3.0898 3.0899 4.2809 4.2810 4.2811 4.2812 4.8910 4.8911 4.8928 4.8928 5.8748 5.8749 5.8782 5.8782 15.1831 15.1834 15.1846 15.1849 16.5053 16.5054 16.5073 16.5074 17.4926 17.4934 k = 0.1247 0.2109 0.5488 ( 2730 PWs) bands (ev): -14.7702 -14.7702 -14.7701 -14.7700 -13.1766 -13.1765 -13.1765 -13.1764 -11.9389 -11.9389 -11.9389 -11.9389 -3.9587 -3.9586 -3.9580 -3.9579 -1.1548 -1.1546 -1.1538 -1.1536 -0.8823 -0.8822 -0.8818 -0.8817 0.0707 0.0708 0.0711 0.0712 1.3099 1.3100 1.3100 1.3102 3.1119 3.1120 3.1147 3.1148 4.2906 4.2907 4.2908 4.2909 4.8980 4.8980 4.8996 4.8997 5.8816 5.8816 5.8848 5.8848 15.1644 15.1647 15.1659 15.1662 16.5321 16.5322 16.5341 16.5342 17.4603 17.4621 k = 0.1173 0.1985 0.5488 ( 2730 PWs) bands (ev): -14.7928 -14.7927 -14.7926 -14.7926 -13.1440 -13.1439 -13.1439 -13.1438 -11.9337 -11.9337 -11.9337 -11.9336 -4.0085 -4.0084 -4.0079 -4.0078 -1.1308 -1.1307 -1.1299 -1.1297 -0.9143 -0.9142 -0.9139 -0.9138 0.0765 0.0766 0.0769 0.0770 1.3231 1.3232 1.3232 1.3234 3.1349 3.1350 3.1376 3.1377 4.3002 4.3003 4.3004 4.3005 4.9069 4.9070 4.9085 4.9086 5.8873 5.8874 5.8903 5.8904 15.1461 15.1464 15.1475 15.1478 16.5589 16.5590 16.5610 16.5611 17.4264 17.4277 k = 0.1100 0.1861 0.5488 ( 2734 PWs) bands (ev): -14.8141 -14.8140 -14.8139 -14.8139 -13.1127 -13.1126 -13.1126 -13.1125 -11.9288 -11.9288 -11.9287 -11.9287 -4.0563 -4.0562 -4.0557 -4.0556 -1.1088 -1.1086 -1.1079 -1.1077 -0.9448 -0.9447 -0.9444 -0.9443 0.0824 0.0826 0.0828 0.0829 1.3357 1.3358 1.3359 1.3360 3.1558 3.1559 3.1584 3.1584 4.3096 4.3097 4.3098 4.3099 4.9178 4.9179 4.9193 4.9194 5.8921 5.8922 5.8950 5.8950 15.1283 15.1286 15.1295 15.1298 16.5851 16.5853 16.5873 16.5874 17.3917 17.3931 k = 0.1027 0.1737 0.5488 ( 2734 PWs) bands (ev): -14.8341 -14.8340 -14.8339 -14.8339 -13.0828 -13.0827 -13.0827 -13.0826 -11.9242 -11.9241 -11.9241 -11.9241 -4.1018 -4.1017 -4.1013 -4.1012 -1.0885 -1.0884 -1.0877 -1.0875 -0.9735 -0.9734 -0.9731 -0.9730 0.0884 0.0886 0.0888 0.0889 1.3478 1.3479 1.3480 1.3481 3.1744 3.1745 3.1769 3.1769 4.3187 4.3188 4.3189 4.3190 4.9306 4.9306 4.9319 4.9320 5.8959 5.8960 5.8986 5.8987 15.1110 15.1113 15.1122 15.1125 16.6103 16.6104 16.6126 16.6127 17.3581 17.3587 k = 0.0953 0.1613 0.5488 ( 2738 PWs) bands (ev): -14.8528 -14.8528 -14.8526 -14.8526 -13.0544 -13.0543 -13.0542 -13.0542 -11.9198 -11.9198 -11.9198 -11.9198 -4.1450 -4.1449 -4.1445 -4.1444 -1.0701 -1.0700 -1.0694 -1.0692 -1.0003 -1.0003 -1.0001 -1.0000 0.0944 0.0945 0.0947 0.0948 1.3593 1.3594 1.3594 1.3596 3.1909 3.1909 3.1931 3.1932 4.3275 4.3276 4.3277 4.3278 4.9449 4.9450 4.9462 4.9463 5.8989 5.8989 5.9014 5.9014 15.0945 15.0948 15.0955 15.0958 16.6335 16.6336 16.6358 16.6360 17.3268 17.3279 k = 0.0880 0.1489 0.5488 ( 2738 PWs) bands (ev): -14.8702 -14.8701 -14.8700 -14.8700 -13.0275 -13.0275 -13.0274 -13.0273 -11.9158 -11.9158 -11.9158 -11.9157 -4.1857 -4.1856 -4.1853 -4.1851 -1.0537 -1.0535 -1.0532 -1.0530 -1.0250 -1.0249 -1.0249 -1.0248 0.1003 0.1005 0.1006 0.1007 1.3701 1.3702 1.3702 1.3703 3.2051 3.2051 3.2072 3.2072 4.3359 4.3360 4.3360 4.3361 4.9607 4.9608 4.9619 4.9620 5.9009 5.9010 5.9033 5.9033 15.0787 15.0790 15.0797 15.0800 16.6539 16.6540 16.6563 16.6565 17.2991 17.2998 k = 0.0807 0.1365 0.5488 ( 2734 PWs) bands (ev): -14.8862 -14.8862 -14.8861 -14.8860 -13.0024 -13.0023 -13.0023 -13.0022 -11.9121 -11.9121 -11.9120 -11.9120 -4.2238 -4.2236 -4.2233 -4.2232 -1.0511 -1.0511 -1.0505 -1.0504 -1.0362 -1.0361 -1.0352 -1.0350 0.1061 0.1062 0.1064 0.1065 1.3801 1.3803 1.3803 1.3804 3.2171 3.2172 3.2191 3.2192 4.3438 4.3439 4.3439 4.3440 4.9775 4.9776 4.9787 4.9788 5.9021 5.9022 5.9043 5.9044 15.0638 15.0641 15.0647 15.0650 16.6706 16.6708 16.6731 16.6732 17.2765 17.2771 k = 0.0733 0.1241 0.5488 ( 2730 PWs) bands (ev): -14.9009 -14.9009 -14.9008 -14.9007 -12.9791 -12.9790 -12.9790 -12.9789 -11.9087 -11.9087 -11.9086 -11.9086 -4.2590 -4.2589 -4.2586 -4.2585 -1.0713 -1.0712 -1.0709 -1.0708 -1.0237 -1.0235 -1.0229 -1.0227 0.1117 0.1118 0.1119 0.1121 1.3895 1.3896 1.3896 1.3898 3.2273 3.2273 3.2291 3.2291 4.3512 4.3513 4.3513 4.3514 4.9951 4.9951 4.9961 4.9962 5.9026 5.9027 5.9046 5.9047 15.0499 15.0502 15.0507 15.0510 16.6830 16.6831 16.6855 16.6856 17.2597 17.2599 k = 0.0660 0.1117 0.5488 ( 2724 PWs) bands (ev): -14.9143 -14.9143 -14.9141 -14.9141 -12.9577 -12.9576 -12.9575 -12.9575 -11.9056 -11.9056 -11.9055 -11.9055 -4.2913 -4.2912 -4.2910 -4.2909 -1.0906 -1.0905 -1.0903 -1.0902 -1.0117 -1.0115 -1.0110 -1.0108 0.1170 0.1172 0.1173 0.1174 1.3980 1.3982 1.3982 1.3983 3.2356 3.2356 3.2372 3.2373 4.3580 4.3582 4.3582 4.3583 5.0129 5.0130 5.0139 5.0139 5.9024 5.9025 5.9043 5.9043 15.0371 15.0374 15.0378 15.0381 16.6905 16.6907 16.6930 16.6932 17.2495 17.2495 k = 0.0587 0.0992 0.5488 ( 2724 PWs) bands (ev): -14.9263 -14.9263 -14.9261 -14.9261 -12.9382 -12.9382 -12.9381 -12.9381 -11.9028 -11.9028 -11.9028 -11.9028 -4.3206 -4.3205 -4.3203 -4.3202 -1.1080 -1.1079 -1.1078 -1.1077 -1.0010 -1.0008 -1.0004 -1.0002 0.1220 0.1222 0.1222 0.1224 1.4058 1.4059 1.4059 1.4060 3.2423 3.2424 3.2437 3.2438 4.3643 4.3644 4.3644 4.3645 5.0305 5.0306 5.0314 5.0315 5.9017 5.9018 5.9034 5.9034 15.0254 15.0257 15.0261 15.0264 16.6935 16.6936 16.6958 16.6960 17.2453 17.2454 k = 0.0513 0.0868 0.5488 ( 2724 PWs) bands (ev): -14.9369 -14.9369 -14.9367 -14.9367 -12.9209 -12.9208 -12.9207 -12.9207 -11.9004 -11.9004 -11.9003 -11.9003 -4.3467 -4.3466 -4.3464 -4.3463 -1.1235 -1.1234 -1.1233 -1.1232 -0.9917 -0.9915 -0.9912 -0.9910 0.1266 0.1268 0.1268 0.1269 1.4127 1.4128 1.4128 1.4129 3.2476 3.2477 3.2488 3.2489 4.3699 4.3700 4.3700 4.3701 5.0476 5.0476 5.0484 5.0485 5.9006 5.9006 5.9021 5.9021 15.0149 15.0152 15.0155 15.0158 16.6924 16.6925 16.6946 16.6947 17.2468 17.2471 k = 0.0440 0.0744 0.5488 ( 2720 PWs) bands (ev): -14.9461 -14.9461 -14.9459 -14.9459 -12.9057 -12.9056 -12.9055 -12.9055 -11.8982 -11.8982 -11.8982 -11.8982 -4.3696 -4.3695 -4.3693 -4.3692 -1.1370 -1.1369 -1.1368 -1.1367 -0.9837 -0.9835 -0.9833 -0.9831 0.1308 0.1309 0.1309 0.1310 1.4187 1.4188 1.4189 1.4190 3.2517 3.2518 3.2528 3.2528 4.3748 4.3749 4.3749 4.3750 5.0635 5.0636 5.0642 5.0643 5.8992 5.8992 5.9005 5.9005 15.0057 15.0060 15.0062 15.0065 16.6883 16.6885 16.6903 16.6904 17.2526 17.2528 k = 0.0367 0.0620 0.5488 ( 2714 PWs) bands (ev): -14.9539 -14.9539 -14.9537 -14.9537 -12.8927 -12.8926 -12.8925 -12.8925 -11.8964 -11.8964 -11.8964 -11.8964 -4.3891 -4.3889 -4.3889 -4.3888 -1.1484 -1.1484 -1.1483 -1.1482 -0.9770 -0.9769 -0.9766 -0.9765 0.1344 0.1345 0.1345 0.1346 1.4239 1.4240 1.4240 1.4241 3.2548 3.2549 3.2557 3.2558 4.3791 4.3791 4.3792 4.3792 5.0779 5.0780 5.0786 5.0787 5.8977 5.8977 5.8988 5.8988 14.9979 14.9982 14.9983 14.9986 16.6825 16.6826 16.6842 16.6843 17.2611 17.2612 k = 0.0293 0.0496 0.5488 ( 2714 PWs) bands (ev): -14.9603 -14.9603 -14.9601 -14.9601 -12.8820 -12.8819 -12.8818 -12.8818 -11.8950 -11.8949 -11.8949 -11.8949 -4.4051 -4.4050 -4.4050 -4.4049 -1.1578 -1.1577 -1.1577 -1.1576 -0.9716 -0.9714 -0.9713 -0.9711 0.1374 0.1375 0.1375 0.1376 1.4281 1.4282 1.4283 1.4283 3.2571 3.2572 3.2578 3.2579 4.3826 4.3826 4.3827 4.3827 5.0904 5.0905 5.0909 5.0910 5.8962 5.8962 5.8971 5.8971 14.9914 14.9917 14.9917 14.9920 16.6761 16.6762 16.6774 16.6776 17.2706 17.2708 k = 0.0220 0.0372 0.5488 ( 2714 PWs) bands (ev): -14.9652 -14.9652 -14.9651 -14.9651 -12.8736 -12.8736 -12.8735 -12.8734 -11.8938 -11.8938 -11.8937 -11.8937 -4.4177 -4.4176 -4.4176 -4.4175 -1.1651 -1.1651 -1.1650 -1.1650 -0.9674 -0.9672 -0.9672 -0.9670 0.1398 0.1399 0.1399 0.1400 1.4315 1.4315 1.4316 1.4316 3.2587 3.2588 3.2593 3.2593 4.3853 4.3853 4.3854 4.3855 5.1006 5.1006 5.1010 5.1010 5.8948 5.8949 5.8955 5.8956 14.9863 14.9865 14.9866 14.9868 16.6701 16.6702 16.6711 16.6712 17.2797 17.2800 k = 0.0147 0.0248 0.5488 ( 2718 PWs) bands (ev): -14.9688 -14.9688 -14.9686 -14.9686 -12.8676 -12.8676 -12.8674 -12.8674 -11.8930 -11.8930 -11.8929 -11.8929 -4.4267 -4.4266 -4.4266 -4.4265 -1.1704 -1.1703 -1.1703 -1.1702 -0.9644 -0.9642 -0.9642 -0.9641 0.1416 0.1416 0.1417 0.1417 1.4338 1.4339 1.4340 1.4340 3.2598 3.2599 3.2602 3.2602 4.3873 4.3873 4.3874 4.3874 5.1081 5.1081 5.1083 5.1084 5.8938 5.8939 5.8943 5.8943 14.9826 14.9828 14.9830 14.9831 16.6653 16.6654 16.6659 16.6661 17.2873 17.2874 k = 0.0073 0.0124 0.5488 ( 2726 PWs) bands (ev): -14.9710 -14.9709 -14.9708 -14.9708 -12.8639 -12.8639 -12.8638 -12.8638 -11.8925 -11.8925 -11.8924 -11.8924 -4.4321 -4.4321 -4.4320 -4.4320 -1.1735 -1.1735 -1.1734 -1.1734 -0.9626 -0.9625 -0.9624 -0.9624 0.1426 0.1427 0.1427 0.1428 1.4353 1.4353 1.4354 1.4354 3.2605 3.2605 3.2606 3.2607 4.3885 4.3885 4.3886 4.3886 5.1127 5.1128 5.1128 5.1129 5.8932 5.8933 5.8934 5.8935 14.9805 14.9805 14.9808 14.9809 16.6622 16.6624 16.6626 16.6627 17.2922 17.2922 k = 0.0000 0.0000 0.5488 ( 2726 PWs) bands (ev): -14.9717 -14.9717 -14.9715 -14.9715 -12.8627 -12.8627 -12.8626 -12.8626 -11.8923 -11.8923 -11.8923 -11.8923 -4.4339 -4.4339 -4.4338 -4.4338 -1.1745 -1.1745 -1.1744 -1.1744 -0.9620 -0.9620 -0.9618 -0.9618 0.1430 0.1430 0.1431 0.1431 1.4357 1.4357 1.4359 1.4359 3.2607 3.2607 3.2608 3.2608 4.3888 4.3888 4.3890 4.3890 5.1143 5.1143 5.1144 5.1144 5.8931 5.8931 5.8931 5.8931 14.9798 14.9798 14.9801 14.9801 16.6613 16.6613 16.6614 16.6614 17.2939 17.2939 k = 0.0000 0.0000 0.5488 ( 2726 PWs) bands (ev): -14.9717 -14.9717 -14.9715 -14.9715 -12.8627 -12.8627 -12.8626 -12.8626 -11.8923 -11.8923 -11.8923 -11.8923 -4.4339 -4.4339 -4.4338 -4.4338 -1.1745 -1.1745 -1.1744 -1.1744 -0.9620 -0.9620 -0.9618 -0.9618 0.1430 0.1430 0.1431 0.1431 1.4357 1.4357 1.4359 1.4359 3.2607 3.2607 3.2608 3.2608 4.3888 4.3888 4.3890 4.3890 5.1143 5.1143 5.1144 5.1144 5.8931 5.8931 5.8931 5.8931 14.9798 14.9798 14.9801 14.9801 16.6613 16.6613 16.6614 16.6614 17.2939 17.2939 k = 0.0000 0.0000 0.5348 ( 2722 PWs) bands (ev): -15.0258 -15.0258 -14.9165 -14.9165 -12.8675 -12.8675 -12.8581 -12.8581 -11.8927 -11.8927 -11.8921 -11.8921 -4.4331 -4.4331 -4.4323 -4.4323 -1.2121 -1.2121 -1.1366 -1.1366 -1.0134 -1.0134 -0.9236 -0.9236 0.1128 0.1128 0.1859 0.1859 1.4140 1.4140 1.4536 1.4536 3.2552 3.2552 3.2697 3.2697 4.3874 4.3874 4.3898 4.3898 5.1000 5.1000 5.1284 5.1284 5.8825 5.8825 5.9023 5.9023 14.9803 14.9803 14.9859 14.9859 16.6473 16.6473 16.6660 16.6660 17.2615 17.2615 k = 0.0000 0.0000 0.5207 ( 2721 PWs) bands (ev): -15.0792 -15.0792 -14.8606 -14.8606 -12.8724 -12.8724 -12.8538 -12.8538 -11.8932 -11.8932 -11.8921 -11.8921 -4.4300 -4.4300 -4.4284 -4.4284 -1.2494 -1.2494 -1.0987 -1.0987 -1.0774 -1.0774 -0.8982 -0.8982 0.0949 0.0949 0.2405 0.2405 1.3884 1.3884 1.4672 1.4672 3.2529 3.2529 3.2821 3.2821 4.3853 4.3853 4.3903 4.3903 5.0854 5.0854 5.1419 5.1419 5.8704 5.8704 5.9101 5.9101 14.9870 14.9870 14.9981 14.9981 16.6247 16.6247 16.6608 16.6608 17.2327 17.2327 k = 0.0000 0.0000 0.5066 ( 2717 PWs) bands (ev): -15.1316 -15.1316 -14.8041 -14.8041 -12.8776 -12.8776 -12.8497 -12.8497 -11.8939 -11.8939 -11.8922 -11.8922 -4.4246 -4.4246 -4.4223 -4.4223 -1.2862 -1.2862 -1.1539 -1.1539 -1.0600 -1.0600 -0.8841 -0.8841 0.0884 0.0884 0.3052 0.3052 1.3590 1.3590 1.4767 1.4767 3.2536 3.2536 3.2981 3.2981 4.3826 4.3826 4.3903 4.3903 5.0707 5.0707 5.1550 5.1550 5.8571 5.8571 5.9163 5.9163 15.0001 15.0001 15.0164 15.0164 16.5947 16.5947 16.6458 16.6458 17.2069 17.2069 k = 0.0000 0.0000 0.4925 ( 2725 PWs) bands (ev): -15.1831 -15.1831 -14.7469 -14.7469 -12.8830 -12.8830 -12.8459 -12.8459 -11.8948 -11.8948 -11.8924 -11.8924 -4.4169 -4.4169 -4.4140 -4.4140 -1.3225 -1.3225 -1.2396 -1.2396 -1.0217 -1.0217 -0.8798 -0.8798 0.0918 0.0918 0.3780 0.3780 1.3259 1.3259 1.4819 1.4819 3.2571 3.2571 3.3180 3.3180 4.3792 4.3792 4.3900 4.3900 5.0559 5.0559 5.1673 5.1673 5.8426 5.8426 5.9210 5.9210 15.0195 15.0195 15.0406 15.0406 16.5585 16.5585 16.6215 16.6215 17.1833 17.1833 k = 0.0000 0.0000 0.4785 ( 2727 PWs) bands (ev): -15.2335 -15.2335 -14.6891 -14.6891 -12.8886 -12.8886 -12.8423 -12.8423 -11.8959 -11.8959 -11.8928 -11.8928 -4.4068 -4.4068 -4.4036 -4.4036 -1.3582 -1.3582 -1.3332 -1.3332 -0.9835 -0.9835 -0.8831 -0.8831 0.1034 0.1034 0.4566 0.4566 1.2894 1.2894 1.4829 1.4829 3.2634 3.2634 3.3418 3.3418 4.3751 4.3751 4.3894 4.3894 5.0411 5.0411 5.1788 5.1788 5.8270 5.8270 5.9242 5.9242 15.0450 15.0450 15.0706 15.0706 16.5174 16.5174 16.5885 16.5885 17.1608 17.1608 k = 0.0000 0.0000 0.4644 ( 2735 PWs) bands (ev): -15.2829 -15.2829 -14.6308 -14.6308 -12.8943 -12.8943 -12.8389 -12.8389 -11.8973 -11.8973 -11.8934 -11.8934 -4.3944 -4.3944 -4.3910 -4.3910 -1.4334 -1.4334 -1.3929 -1.3929 -0.9456 -0.9456 -0.8924 -0.8924 0.1218 0.1218 0.5391 0.5391 1.2497 1.2497 1.4796 1.4796 3.2722 3.2722 3.3696 3.3696 4.3703 4.3703 4.3886 4.3886 5.0265 5.0265 5.1893 5.1893 5.8104 5.8104 5.9258 5.9258 15.0766 15.0766 15.1058 15.1058 16.4727 16.4727 16.5473 16.5473 17.1388 17.1388 k = 0.0000 0.0000 0.4503 ( 2739 PWs) bands (ev): -15.3312 -15.3312 -14.5721 -14.5721 -12.9002 -12.9002 -12.8358 -12.8358 -11.8988 -11.8988 -11.8940 -11.8940 -4.3796 -4.3796 -4.3764 -4.3764 -1.5379 -1.5379 -1.4271 -1.4271 -0.9119 -0.9119 -0.9023 -0.9023 0.1455 0.1455 0.6236 0.6236 1.2068 1.2068 1.4720 1.4720 3.2835 3.2835 3.4016 3.4016 4.3650 4.3650 4.3878 4.3878 5.0120 5.0120 5.1987 5.1987 5.7932 5.7932 5.9260 5.9260 15.1140 15.1140 15.1461 15.1461 16.4253 16.4253 16.4989 16.4989 17.1167 17.1167 k = 0.0000 0.0000 0.4363 ( 2743 PWs) bands (ev): -15.3783 -15.3783 -14.5130 -14.5130 -12.9062 -12.9062 -12.8330 -12.8330 -11.9006 -11.9006 -11.8947 -11.8947 -4.3627 -4.3627 -4.3599 -4.3599 -1.6458 -1.6458 -1.4605 -1.4605 -0.9248 -0.9248 -0.8694 -0.8694 0.1735 0.1735 0.7089 0.7089 1.1611 1.1611 1.4603 1.4603 3.2970 3.2970 3.4377 3.4377 4.3590 4.3590 4.3870 4.3870 4.9979 4.9979 5.2066 5.2066 5.7753 5.7753 5.9246 5.9246 15.1569 15.1569 15.1910 15.1910 16.3760 16.3760 16.4440 16.4440 17.0941 17.0941 k = 0.0000 0.0000 0.4222 ( 2733 PWs) bands (ev): -15.4242 -15.4242 -14.4537 -14.4537 -12.9123 -12.9123 -12.8304 -12.8304 -11.9025 -11.9025 -11.8956 -11.8956 -4.3434 -4.3434 -4.3414 -4.3414 -1.7560 -1.7560 -1.4930 -1.4930 -0.9445 -0.9445 -0.8326 -0.8326 0.2050 0.2050 0.7937 0.7937 1.1127 1.1127 1.4443 1.4443 3.3127 3.3127 3.4781 3.4781 4.3525 4.3525 4.3862 4.3862 4.9842 4.9842 5.2129 5.2129 5.7572 5.7572 5.9218 5.9218 15.2052 15.2052 15.2400 15.2400 16.3256 16.3256 16.3834 16.3834 17.0707 17.0707 k = 0.0000 0.0000 0.4081 ( 2733 PWs) bands (ev): -15.4689 -15.4689 -14.3942 -14.3942 -12.9184 -12.9184 -12.8280 -12.8280 -11.9048 -11.9048 -11.8965 -11.8965 -4.3220 -4.3220 -4.3212 -4.3212 -1.8675 -1.8675 -1.5245 -1.5245 -0.9662 -0.9662 -0.7964 -0.7964 0.2392 0.2392 0.8770 0.8770 1.0619 1.0619 1.4244 1.4244 3.3304 3.3304 3.5225 3.5225 4.3454 4.3454 4.3856 4.3856 4.9708 4.9709 5.2173 5.2173 5.7391 5.7391 5.9177 5.9177 15.2585 15.2585 15.2925 15.2925 16.2744 16.2744 16.3180 16.3180 17.0463 17.0463 k = 0.0000 0.0000 0.3940 ( 2729 PWs) bands (ev): -15.5123 -15.5123 -14.3346 -14.3346 -12.9247 -12.9247 -12.8259 -12.8259 -11.9073 -11.9073 -11.8975 -11.8975 -4.2993 -4.2992 -4.2984 -4.2984 -1.9798 -1.9798 -1.5551 -1.5551 -0.9891 -0.9891 -0.7609 -0.7609 0.2755 0.2755 0.9583 0.9583 1.0090 1.0090 1.4005 1.4005 3.3499 3.3499 3.5710 3.5710 4.3379 4.3379 4.3853 4.3853 4.9581 4.9581 5.2195 5.2195 5.7214 5.7214 5.9121 5.9121 15.3164 15.3164 15.3478 15.3478 16.2229 16.2229 16.2483 16.2483 17.0208 17.0208 k = 0.0000 0.0000 0.3800 ( 2725 PWs) bands (ev): -15.5545 -15.5545 -14.2750 -14.2750 -12.9310 -12.9310 -12.8240 -12.8240 -11.9100 -11.9100 -11.8986 -11.8986 -4.2757 -4.2757 -4.2728 -4.2728 -2.0921 -2.0921 -1.5845 -1.5845 -1.0129 -1.0129 -0.7263 -0.7263 0.3135 0.3135 0.9542 0.9542 1.0369 1.0369 1.3730 1.3730 3.3712 3.3712 3.6232 3.6232 4.3301 4.3301 4.3852 4.3852 4.9461 4.9461 5.2192 5.2192 5.7043 5.7043 5.9053 5.9053 15.3786 15.3786 15.4052 15.4052 16.1714 16.1714 16.1753 16.1753 16.9944 16.9944 k = 0.0000 0.0000 0.3659 ( 2729 PWs) bands (ev): -15.5954 -15.5954 -14.2155 -14.2155 -12.9373 -12.9373 -12.8223 -12.8223 -11.9129 -11.9129 -11.8997 -11.8997 -4.2507 -4.2507 -4.2452 -4.2452 -2.2039 -2.2039 -1.6128 -1.6128 -1.0370 -1.0370 -0.6928 -0.6928 0.3529 0.3529 0.8978 0.8978 1.1123 1.1123 1.3418 1.3418 3.3941 3.3941 3.6790 3.6790 4.3219 4.3219 4.3854 4.3854 4.9348 4.9348 5.2161 5.2161 5.6882 5.6882 5.8973 5.8973 15.4445 15.4445 15.4637 15.4637 16.0993 16.0993 16.1203 16.1203 16.9671 16.9671 k = 0.0000 0.0000 0.3518 ( 2727 PWs) bands (ev): -15.6349 -15.6349 -14.1562 -14.1562 -12.9436 -12.9436 -12.8209 -12.8209 -11.9162 -11.9162 -11.9009 -11.9009 -4.2244 -4.2244 -4.2157 -4.2157 -2.3148 -2.3148 -1.6399 -1.6399 -1.0613 -1.0613 -0.6606 -0.6606 0.3932 0.3932 0.8402 0.8402 1.1844 1.1844 1.3074 1.3074 3.4185 3.4185 3.7380 3.7380 4.3135 4.3135 4.3861 4.3861 4.9245 4.9245 5.2098 5.2098 5.6735 5.6735 5.8881 5.8881 15.5138 15.5138 15.5226 15.5226 16.0212 16.0212 16.0696 16.0696 16.9390 16.9390 k = 0.0000 0.0000 0.3377 ( 2735 PWs) bands (ev): -15.6730 -15.6730 -14.0973 -14.0973 -12.9499 -12.9499 -12.8196 -12.8196 -11.9197 -11.9197 -11.9021 -11.9021 -4.1969 -4.1969 -4.1844 -4.1844 -2.4243 -2.4243 -1.6658 -1.6658 -1.0856 -1.0856 -0.6299 -0.6299 0.4342 0.4342 0.7817 0.7817 1.2529 1.2529 1.2699 1.2699 3.4442 3.4442 3.7998 3.7998 4.3050 4.3050 4.3870 4.3870 4.9153 4.9153 5.2001 5.2001 5.6604 5.6604 5.8779 5.8779 15.5803 15.5804 15.5861 15.5861 15.9415 15.9415 16.0196 16.0196 16.9102 16.9102 k = 0.0000 0.0000 0.3237 ( 2727 PWs) bands (ev): -15.7098 -15.7098 -14.0389 -14.0389 -12.9562 -12.9562 -12.8186 -12.8186 -11.9234 -11.9234 -11.9034 -11.9034 -4.1683 -4.1683 -4.1513 -4.1513 -2.5321 -2.5321 -1.6904 -1.6904 -1.1096 -1.1096 -0.6010 -0.6010 0.4757 0.4757 0.7228 0.7228 1.2295 1.2295 1.3178 1.3178 3.4712 3.4712 3.8637 3.8637 4.2963 4.2963 4.3883 4.3883 4.9074 4.9074 5.1870 5.1870 5.6491 5.6491 5.8667 5.8667 15.6364 15.6364 15.6606 15.6606 15.8608 15.8608 15.9703 15.9703 16.8810 16.8810 k = 0.0000 0.0000 0.3096 ( 2727 PWs) bands (ev): -15.7451 -15.7451 -13.9810 -13.9810 -12.9624 -12.9624 -12.8177 -12.8177 -11.9274 -11.9274 -11.9047 -11.9047 -4.1388 -4.1388 -4.1167 -4.1167 -2.6378 -2.6378 -1.7136 -1.7136 -1.1332 -1.1332 -0.5741 -0.5741 0.5173 0.5173 0.6639 0.6639 1.1866 1.1866 1.3789 1.3789 3.4993 3.4993 3.9292 3.9292 4.2876 4.2876 4.3900 4.3900 4.9010 4.9010 5.1704 5.1704 5.6398 5.6398 5.8546 5.8546 15.6892 15.6892 15.7369 15.7369 15.7794 15.7794 15.9221 15.9221 16.8516 16.8516 k = 0.0000 0.0000 0.2955 ( 2725 PWs) bands (ev): -15.7790 -15.7790 -13.9238 -13.9238 -12.9685 -12.9685 -12.8169 -12.8169 -11.9317 -11.9317 -11.9060 -11.9060 -4.1085 -4.1085 -4.0807 -4.0807 -2.7411 -2.7411 -1.7355 -1.7355 -1.1562 -1.1562 -0.5496 -0.5496 0.5586 0.5586 0.6058 0.6058 1.1416 1.1416 1.4365 1.4365 3.5284 3.5284 3.9955 3.9955 4.2790 4.2790 4.3920 4.3920 4.8965 4.8965 5.1504 5.1504 5.6324 5.6324 5.8418 5.8418 15.6980 15.6980 15.7375 15.7375 15.8144 15.8144 15.8749 15.8749 16.8220 16.8220 k = 0.0000 0.0000 0.2815 ( 2725 PWs) bands (ev): -15.8115 -15.8115 -13.8675 -13.8675 -12.9745 -12.9745 -12.8164 -12.8164 -11.9363 -11.9363 -11.9073 -11.9073 -4.0777 -4.0777 -4.0433 -4.0433 -2.8418 -2.8418 -1.7559 -1.7559 -1.1786 -1.1786 -0.5279 -0.5279 0.5475 0.5475 0.6012 0.6012 1.0946 1.0946 1.4904 1.4904 3.5585 3.5585 4.0617 4.0617 4.2705 4.2705 4.3943 4.3943 4.8942 4.8942 5.1272 5.1272 5.6268 5.6268 5.8283 5.8283 15.6169 15.6169 15.7803 15.7803 15.8288 15.8288 15.8925 15.8925 16.7926 16.7926 k = 0.0000 0.0000 0.2674 ( 2739 PWs) bands (ev): -15.8425 -15.8425 -13.8122 -13.8122 -12.9803 -12.9803 -12.8160 -12.8160 -11.9411 -11.9411 -11.9086 -11.9086 -4.0465 -4.0465 -4.0049 -4.0049 -2.9395 -2.9395 -1.7749 -1.7749 -1.2003 -1.2003 -0.5093 -0.5093 0.4921 0.4921 0.6420 0.6420 1.0462 1.0462 1.5408 1.5408 3.5893 3.5893 4.1268 4.1268 4.2621 4.2621 4.3970 4.3970 4.8944 4.8944 5.1010 5.1011 5.6228 5.6228 5.8142 5.8142 15.5365 15.5365 15.7840 15.7840 15.8165 15.8165 15.9706 15.9706 16.7636 16.7636 k = 0.0000 0.0000 0.2533 ( 2739 PWs) bands (ev): -15.8719 -15.8719 -13.7580 -13.7580 -12.9860 -12.9860 -12.8157 -12.8157 -11.9461 -11.9461 -11.9099 -11.9099 -4.0152 -4.0152 -3.9654 -3.9654 -3.0339 -3.0339 -1.7924 -1.7924 -1.2213 -1.2213 -0.4944 -0.4944 0.4390 0.4390 0.6825 0.6825 0.9966 0.9966 1.5879 1.5879 3.6208 3.6208 4.1897 4.1897 4.2542 4.2542 4.3999 4.3999 4.8979 4.8979 5.0724 5.0724 5.6201 5.6202 5.7998 5.7998 15.4574 15.4574 15.7406 15.7406 15.8454 15.8454 16.0480 16.0480 16.7351 16.7351 k = 0.0000 0.0000 0.2392 ( 2747 PWs) bands (ev): -15.8999 -15.8999 -13.7051 -13.7051 -12.9916 -12.9916 -12.8155 -12.8155 -11.9513 -11.9513 -11.9111 -11.9111 -3.9838 -3.9838 -3.9253 -3.9253 -3.1249 -3.1249 -1.8085 -1.8085 -1.2413 -1.2413 -0.4838 -0.4838 0.3890 0.3890 0.7223 0.7223 0.9462 0.9462 1.6317 1.6317 3.6530 3.6530 4.2421 4.2421 4.2537 4.2537 4.4030 4.4030 4.9052 4.9052 5.0416 5.0416 5.6186 5.6186 5.7850 5.7850 15.3797 15.3797 15.6988 15.6988 15.8668 15.8668 16.1242 16.1242 16.7072 16.7072 k = 0.0000 0.0000 0.2252 ( 2739 PWs) bands (ev): -15.9264 -15.9264 -13.6537 -13.6537 -12.9969 -12.9969 -12.8154 -12.8154 -11.9568 -11.9568 -11.9124 -11.9124 -3.9527 -3.9527 -3.8847 -3.8847 -3.2122 -3.2122 -1.8230 -1.8230 -1.2604 -1.2604 -0.4778 -0.4778 0.3431 0.3431 0.7612 0.7612 0.8955 0.8955 1.6724 1.6724 3.6855 3.6855 4.2378 4.2378 4.3057 4.3057 4.4064 4.4064 4.9168 4.9168 5.0090 5.0090 5.6180 5.6180 5.7702 5.7702 15.3040 15.3040 15.6585 15.6585 15.8806 15.8806 16.1985 16.1985 16.6802 16.6802 k = 0.0000 0.0000 0.2111 ( 2741 PWs) bands (ev): -15.9513 -15.9513 -13.6040 -13.6040 -13.0020 -13.0020 -12.8154 -12.8154 -11.9624 -11.9624 -11.9136 -11.9136 -3.9220 -3.9220 -3.8437 -3.8437 -3.2955 -3.2955 -1.8360 -1.8360 -1.2786 -1.2786 -0.4771 -0.4771 0.3018 0.3018 0.7989 0.7989 0.8448 0.8448 1.7102 1.7102 3.7185 3.7185 4.2307 4.2307 4.3549 4.3549 4.4101 4.4101 4.9330 4.9330 4.9752 4.9752 5.6181 5.6181 5.7552 5.7553 15.2305 15.2305 15.6200 15.6200 15.8874 15.8874 16.2703 16.2703 16.6542 16.6542 k = 0.0000 0.0000 0.1970 ( 2745 PWs) bands (ev): -15.9747 -15.9747 -13.5561 -13.5561 -13.0069 -13.0069 -12.8155 -12.8155 -11.9681 -11.9681 -11.9148 -11.9148 -3.8920 -3.8920 -3.8028 -3.8028 -3.3747 -3.3747 -1.8475 -1.8475 -1.2958 -1.2958 -0.4818 -0.4818 0.2660 0.2660 0.7942 0.7942 0.8357 0.8357 1.7451 1.7451 3.7517 3.7517 4.2238 4.2238 4.3960 4.3960 4.4158 4.4158 4.9369 4.9369 4.9580 4.9580 5.6186 5.6186 5.7404 5.7404 15.1597 15.1597 15.5832 15.5832 15.8879 15.8879 16.3389 16.3389 16.6293 16.6293 k = 0.0000 0.0000 0.1829 ( 2741 PWs) bands (ev): -15.9965 -15.9965 -13.5102 -13.5102 -13.0115 -13.0115 -12.8156 -12.8156 -11.9740 -11.9740 -11.9159 -11.9159 -3.8628 -3.8628 -3.7622 -3.7622 -3.4494 -3.4494 -1.8576 -1.8576 -1.3119 -1.3119 -0.4921 -0.4921 0.2358 0.2358 0.7449 0.7449 0.8706 0.8706 1.7774 1.7774 3.7851 3.7851 4.2174 4.2174 4.4134 4.4134 4.4383 4.4383 4.9022 4.9022 4.9837 4.9837 5.6195 5.6195 5.7259 5.7259 15.0919 15.0919 15.5484 15.5484 15.8831 15.8831 16.4040 16.4040 16.6057 16.6057 k = 0.0000 0.0000 0.1689 ( 2745 PWs) bands (ev): -16.0168 -16.0168 -13.4665 -13.4665 -13.0159 -13.0159 -12.8158 -12.8158 -11.9799 -11.9799 -11.9170 -11.9170 -3.8347 -3.8347 -3.7223 -3.7223 -3.5196 -3.5196 -1.8662 -1.8662 -1.3269 -1.3269 -0.5077 -0.5077 0.2114 0.2114 0.6967 0.6967 0.9039 0.9039 1.8069 1.8069 3.8185 3.8185 4.2113 4.2113 4.4180 4.4180 4.4668 4.4668 4.8656 4.8656 5.0153 5.0153 5.6206 5.6206 5.7117 5.7117 15.0275 15.0275 15.5157 15.5157 15.8740 15.8740 16.4651 16.4651 16.5836 16.5836 k = 0.0000 0.0000 0.1548 ( 2749 PWs) bands (ev): -16.0354 -16.0354 -13.4252 -13.4252 -13.0200 -13.0200 -12.8160 -12.8160 -11.9858 -11.9858 -11.9180 -11.9180 -3.8079 -3.8079 -3.6833 -3.6833 -3.5849 -3.5849 -1.8735 -1.8735 -1.3408 -1.3408 -0.5278 -0.5278 0.1925 0.1925 0.6502 0.6502 0.9354 0.9354 1.8339 1.8339 3.8518 3.8518 4.2057 4.2057 4.4216 4.4216 4.4900 4.4900 4.8286 4.8286 5.0505 5.0505 5.6218 5.6218 5.6981 5.6981 14.9667 14.9667 15.4850 15.4850 15.8618 15.8618 16.5217 16.5217 16.5629 16.5629 k = 0.0000 0.0000 0.1407 ( 2749 PWs) bands (ev): -16.0525 -16.0525 -13.3865 -13.3865 -13.0237 -13.0237 -12.8163 -12.8163 -11.9917 -11.9917 -11.9189 -11.9189 -3.7827 -3.7827 -3.6469 -3.6469 -3.6440 -3.6440 -1.8796 -1.8796 -1.3536 -1.3536 -0.5516 -0.5516 0.1785 0.1785 0.6058 0.6058 0.9648 0.9648 1.8584 1.8584 3.8849 3.8849 4.2005 4.2005 4.4248 4.4248 4.5081 4.5081 4.7916 4.7916 5.0879 5.0879 5.6230 5.6230 5.6852 5.6852 14.9099 14.9099 15.4567 15.4567 15.8475 15.8475 16.5437 16.5437 16.5736 16.5736 k = 0.0000 0.0000 0.1267 ( 2753 PWs) bands (ev): -16.0680 -16.0680 -13.3506 -13.3506 -13.0272 -13.0272 -12.8165 -12.8165 -11.9974 -11.9974 -11.9198 -11.9198 -3.7591 -3.7591 -3.7005 -3.7005 -3.6097 -3.6097 -1.8844 -1.8844 -1.3653 -1.3653 -0.5778 -0.5778 0.1687 0.1687 0.5640 0.5640 0.9921 0.9921 1.8805 1.8805 3.9176 3.9176 4.1958 4.1958 4.4278 4.4278 4.5218 4.5218 4.7550 4.7550 5.1260 5.1260 5.6241 5.6241 5.6731 5.6731 14.8575 14.8575 15.4306 15.4306 15.8321 15.8321 16.5263 16.5263 16.6205 16.6205 k = 0.0000 0.0000 0.1126 ( 2751 PWs) bands (ev): -16.0818 -16.0818 -13.3178 -13.3178 -13.0303 -13.0303 -12.8168 -12.8168 -12.0028 -12.0028 -11.9206 -11.9206 -3.7503 -3.7503 -3.7375 -3.7375 -3.5760 -3.5760 -1.8883 -1.8883 -1.3757 -1.3757 -0.6052 -0.6052 0.1622 0.1622 0.5253 0.5253 1.0170 1.0170 1.9002 1.9002 3.9496 3.9496 4.1916 4.1916 4.4306 4.4306 4.5322 4.5322 4.7191 4.7191 5.1634 5.1634 5.6250 5.6250 5.6620 5.6620 14.8096 14.8096 15.4071 15.4071 15.8163 15.8163 16.5105 16.5105 16.6623 16.6623 k = 0.0000 0.0000 0.0985 ( 2753 PWs) bands (ev): -16.0941 -16.0941 -13.2882 -13.2882 -13.0331 -13.0331 -12.8170 -12.8170 -12.0079 -12.0079 -11.9213 -11.9213 -3.7947 -3.7947 -3.7180 -3.7180 -3.5448 -3.5448 -1.8912 -1.8912 -1.3850 -1.3850 -0.6326 -0.6326 0.1582 0.1582 0.4899 0.4899 1.0394 1.0394 1.9175 1.9175 3.9807 3.9807 4.1879 4.1879 4.4331 4.4331 4.5399 4.5399 4.6843 4.6843 5.1990 5.1990 5.6254 5.6254 5.6523 5.6523 14.7667 14.7667 15.3860 15.3860 15.8008 15.8008 16.4965 16.4965 16.6990 16.6990 k = 0.0000 0.0000 0.0844 ( 2749 PWs) bands (ev): -16.1047 -16.1047 -13.2621 -13.2621 -13.0355 -13.0355 -12.8173 -12.8173 -12.0127 -12.0127 -11.9219 -11.9219 -3.8334 -3.8334 -3.7007 -3.7007 -3.5167 -3.5167 -1.8933 -1.8933 -1.3931 -1.3931 -0.6588 -0.6588 0.1561 0.1561 0.4583 0.4583 1.0592 1.0592 1.9325 1.9325 4.0104 4.0104 4.1846 4.1846 4.4353 4.4353 4.5456 4.5456 4.6511 4.6511 5.2316 5.2316 5.6251 5.6251 5.6443 5.6443 14.7289 14.7289 15.3676 15.3676 15.7864 15.7864 16.4843 16.4843 16.7306 16.7306 k = 0.0000 0.0000 0.0704 ( 2753 PWs) bands (ev): -16.1137 -16.1137 -13.2396 -13.2396 -13.0376 -13.0376 -12.8175 -12.8175 -12.0169 -12.0169 -11.9224 -11.9224 -3.8664 -3.8664 -3.6859 -3.6859 -3.4921 -3.4921 -1.8948 -1.8948 -1.3999 -1.3999 -0.6827 -0.6827 0.1552 0.1552 0.4308 0.4308 1.0761 1.0761 1.9451 1.9451 4.0383 4.0383 4.1819 4.1819 4.4372 4.4372 4.5498 4.5498 4.6203 4.6203 5.2605 5.2605 5.6233 5.6233 5.6388 5.6389 14.6965 14.6965 15.3519 15.3519 15.7734 15.7734 16.4739 16.4739 16.7570 16.7570 k = 0.0000 0.0000 0.0563 ( 2753 PWs) bands (ev): -16.1210 -16.1210 -13.2209 -13.2209 -13.0393 -13.0393 -12.8177 -12.8177 -12.0204 -12.0204 -11.9229 -11.9229 -3.8936 -3.8936 -3.6735 -3.6735 -3.4713 -3.4713 -1.8958 -1.8958 -1.4055 -1.4055 -0.7036 -0.7036 0.1551 0.1551 0.4079 0.4079 1.0902 1.0902 1.9555 1.9555 4.0635 4.0635 4.1796 4.1796 4.4388 4.4388 4.5527 4.5527 4.5925 4.5925 5.2851 5.2851 5.6200 5.6200 5.6361 5.6361 14.6697 14.6697 15.3390 15.3390 15.7622 15.7622 16.4654 16.4654 16.7785 16.7785 k = 0.0000 0.0000 0.0422 ( 2761 PWs) bands (ev): -16.1268 -16.1268 -13.2062 -13.2062 -13.0406 -13.0406 -12.8178 -12.8178 -12.0233 -12.0233 -11.9232 -11.9232 -3.9148 -3.9148 -3.6638 -3.6638 -3.4547 -3.4547 -1.8964 -1.8964 -1.4099 -1.4099 -0.7206 -0.7206 0.1553 0.1553 0.3897 0.3897 1.1012 1.1012 1.9635 1.9635 4.0851 4.0851 4.1779 4.1779 4.4400 4.4400 4.5545 4.5545 4.5691 4.5691 5.3047 5.3047 5.6161 5.6161 5.6351 5.6351 14.6487 14.6487 15.3288 15.3288 15.7532 15.7532 16.4587 16.4587 16.7951 16.7951 k = 0.0000 0.0000 0.0281 ( 2761 PWs) bands (ev): -16.1309 -16.1309 -13.1956 -13.1956 -13.0416 -13.0416 -12.8179 -12.8179 -12.0255 -12.0255 -11.9235 -11.9235 -3.9300 -3.9300 -3.6569 -3.6569 -3.4426 -3.4426 -1.8967 -1.8967 -1.4130 -1.4130 -0.7331 -0.7331 0.1557 0.1557 0.3766 0.3766 1.1091 1.1091 1.9692 1.9692 4.1020 4.1020 4.1766 4.1766 4.4408 4.4408 4.5494 4.5494 4.5573 4.5573 5.3190 5.3190 5.6129 5.6129 5.6348 5.6348 14.6335 14.6335 15.3216 15.3216 15.7466 15.7466 16.4539 16.4539 16.8069 16.8069 k = 0.0000 0.0000 0.0141 ( 2761 PWs) bands (ev): -16.1333 -16.1333 -13.1892 -13.1892 -13.0422 -13.0422 -12.8180 -12.8180 -12.0268 -12.0268 -11.9236 -11.9236 -3.9391 -3.9391 -3.6526 -3.6526 -3.4352 -3.4352 -1.8969 -1.8969 -1.4149 -1.4149 -0.7408 -0.7408 0.1560 0.1560 0.3686 0.3686 1.1139 1.1139 1.9727 1.9727 4.1128 4.1128 4.1759 4.1759 4.4413 4.4413 4.5383 4.5383 4.5575 4.5575 5.3277 5.3277 5.6109 5.6109 5.6348 5.6348 14.6244 14.6244 15.3172 15.3172 15.7426 15.7426 16.4511 16.4511 16.8139 16.8139 k = 0.0000 0.0000 0.0000 ( 2757 PWs) bands (ev): -16.1342 -16.1342 -13.1871 -13.1871 -13.0424 -13.0424 -12.8180 -12.8180 -12.0272 -12.0272 -11.9237 -11.9237 -3.9422 -3.9422 -3.6512 -3.6512 -3.4327 -3.4327 -1.8970 -1.8970 -1.4155 -1.4155 -0.7434 -0.7434 0.1561 0.1561 0.3660 0.3660 1.1155 1.1155 1.9738 1.9738 4.1166 4.1166 4.1756 4.1756 4.4415 4.4415 4.5343 4.5343 4.5577 4.5577 5.3306 5.3306 5.6102 5.6102 5.6348 5.6348 14.6214 14.6214 15.3157 15.3157 15.7413 15.7413 16.4501 16.4501 16.8163 16.8163 k = 0.0000 0.0000 0.0000 ( 2757 PWs) bands (ev): -16.1342 -16.1342 -13.1871 -13.1871 -13.0424 -13.0424 -12.8180 -12.8180 -12.0272 -12.0272 -11.9237 -11.9237 -3.9422 -3.9422 -3.6512 -3.6512 -3.4327 -3.4327 -1.8970 -1.8970 -1.4155 -1.4155 -0.7434 -0.7434 0.1561 0.1561 0.3660 0.3660 1.1155 1.1155 1.9738 1.9738 4.1166 4.1166 4.1756 4.1756 4.4415 4.4415 4.5343 4.5343 4.5577 4.5577 5.3306 5.3306 5.6102 5.6102 5.6348 5.6348 14.6214 14.6214 15.3157 15.3157 15.7413 15.7413 16.4501 16.4501 16.8163 16.8163 k =-0.0122 0.0072-0.0000 ( 2763 PWs) bands (ev): -16.1337 -16.1337 -13.1869 -13.1869 -13.0429 -13.0429 -12.8185 -12.8184 -12.0269 -12.0269 -11.9245 -11.9245 -3.9433 -3.9430 -3.6491 -3.6491 -3.4310 -3.4307 -1.8974 -1.8973 -1.4142 -1.4141 -0.7442 -0.7441 0.1537 0.1541 0.3654 0.3656 1.1173 1.1175 1.9749 1.9750 4.1001 4.1004 4.1910 4.1912 4.4368 4.4381 4.5357 4.5360 4.5576 4.5588 5.3306 5.3306 5.6091 5.6094 5.6341 5.6341 14.6229 14.6229 15.3150 15.3151 15.7374 15.7374 16.4558 16.4562 16.8158 16.8158 k =-0.0244 0.0144-0.0000 ( 2767 PWs) bands (ev): -16.1322 -16.1322 -13.1863 -13.1863 -13.0447 -13.0447 -12.8198 -12.8198 -12.0260 -12.0260 -11.9268 -11.9268 -3.9464 -3.9459 -3.6428 -3.6427 -3.4257 -3.4251 -1.8986 -1.8983 -1.4100 -1.4098 -0.7462 -0.7461 0.1470 0.1478 0.3639 0.3642 1.1227 1.1232 1.9781 1.9784 4.0693 4.0696 4.2191 4.2194 4.4246 4.4269 4.5401 4.5407 4.5584 4.5606 5.3306 5.3306 5.6064 5.6069 5.6320 5.6320 14.6275 14.6275 15.3128 15.3131 15.7262 15.7262 16.4729 16.4737 16.8144 16.8144 k =-0.0366 0.0216 0.0000 ( 2771 PWs) bands (ev): -16.1297 -16.1297 -13.1854 -13.1854 -13.0476 -13.0475 -12.8220 -12.8220 -12.0246 -12.0245 -11.9308 -11.9308 -3.9513 -3.9505 -3.6323 -3.6322 -3.4169 -3.4160 -1.9005 -1.9000 -1.4031 -1.4028 -0.7497 -0.7495 0.1362 0.1372 0.3614 0.3620 1.1317 1.1324 1.9834 1.9839 4.0350 4.0353 4.2491 4.2493 4.4057 4.4085 4.5474 4.5483 4.5595 4.5622 5.3305 5.3307 5.6019 5.6027 5.6286 5.6287 14.6351 14.6352 15.3092 15.3097 15.7092 15.7092 16.4999 16.5010 16.8121 16.8122 k =-0.0488 0.0288-0.0000 ( 2774 PWs) bands (ev): -16.1262 -16.1262 -13.1842 -13.1842 -13.0516 -13.0516 -12.8251 -12.8251 -12.0225 -12.0225 -11.9362 -11.9362 -3.9577 -3.9568 -3.6177 -3.6175 -3.4048 -3.4037 -1.9030 -1.9024 -1.3934 -1.3931 -0.7545 -0.7542 0.1213 0.1227 0.3580 0.3587 1.1441 1.1450 1.9910 1.9916 3.9995 3.9998 4.2788 4.2788 4.3807 4.3838 4.5564 4.5586 4.5613 4.5634 5.3305 5.3306 5.5958 5.5969 5.6240 5.6240 14.6457 14.6458 15.3041 15.3047 15.6881 15.6882 16.5351 16.5366 16.8091 16.8092 k =-0.0610 0.0360-0.0000 ( 2776 PWs) bands (ev): -16.1218 -16.1218 -13.1826 -13.1826 -13.0568 -13.0567 -12.8290 -12.8289 -12.0200 -12.0199 -11.9431 -11.9431 -3.9654 -3.9643 -3.5990 -3.5988 -3.3898 -3.3884 -1.9059 -1.9052 -1.3811 -1.3807 -0.7606 -0.7603 0.1027 0.1043 0.3538 0.3546 1.1598 1.1609 2.0005 2.0013 3.9634 3.9636 4.3074 4.3074 4.3501 4.3533 4.5581 4.5619 4.5721 4.5729 5.3303 5.3306 5.5881 5.5895 5.6180 5.6180 14.6592 14.6593 15.2974 15.2981 15.6648 15.6651 16.5766 16.5784 16.8055 16.8055 k =-0.0732 0.0433 0.0000 ( 2776 PWs) bands (ev): -16.1163 -16.1163 -13.1807 -13.1807 -13.0631 -13.0631 -12.8335 -12.8335 -12.0170 -12.0169 -11.9514 -11.9514 -3.9741 -3.9728 -3.5764 -3.5762 -3.3722 -3.3705 -1.9093 -1.9084 -1.3663 -1.3659 -0.7680 -0.7676 0.0805 0.0824 0.3486 0.3496 1.1785 1.1797 2.0121 2.0130 3.9271 3.9272 4.3142 4.3173 4.3348 4.3351 4.5561 4.5599 4.5877 4.5888 5.3300 5.3304 5.5791 5.5808 5.6107 5.6108 14.6755 14.6756 15.2889 15.2897 15.6410 15.6413 16.6228 16.6248 16.8013 16.8014 k =-0.0854 0.0505-0.0000 ( 2772 PWs) bands (ev): -16.1100 -16.1100 -13.1786 -13.1786 -13.0706 -13.0706 -12.8387 -12.8387 -12.0135 -12.0134 -11.9610 -11.9609 -3.9834 -3.9820 -3.5500 -3.5498 -3.3522 -3.3504 -1.9128 -1.9118 -1.3491 -1.3486 -0.7766 -0.7762 0.0552 0.0573 0.3426 0.3438 1.1999 1.2012 2.0256 2.0266 3.8907 3.8907 4.2733 4.2763 4.3611 4.3616 4.5523 4.5561 4.6057 4.6071 5.3296 5.3300 5.5689 5.5709 5.6022 5.6024 14.6946 14.6946 15.2787 15.2796 15.6180 15.6184 16.6722 16.6744 16.7968 16.7969 k =-0.0976 0.0577-0.0000 ( 2768 PWs) bands (ev): -16.1027 -16.1027 -13.1761 -13.1761 -13.0793 -13.0792 -12.8445 -12.8445 -12.0098 -12.0096 -11.9717 -11.9717 -3.9931 -3.9916 -3.5200 -3.5197 -3.3302 -3.3282 -1.9163 -1.9152 -1.3295 -1.3290 -0.7865 -0.7861 0.0269 0.0293 0.3358 0.3371 1.2238 1.2253 2.0409 2.0421 3.8544 3.8544 4.2275 4.2304 4.3864 4.3870 4.5467 4.5504 4.6256 4.6273 5.3288 5.3294 5.5577 5.5600 5.5925 5.5927 14.7162 14.7163 15.2668 15.2678 15.5967 15.5972 16.7236 16.7261 16.7920 16.7920 k =-0.1098 0.0649 0.0000 ( 2772 PWs) bands (ev): -16.0945 -16.0945 -13.1735 -13.1735 -13.0891 -13.0890 -12.8508 -12.8507 -12.0057 -12.0055 -11.9836 -11.9835 -4.0030 -4.0014 -3.4865 -3.4862 -3.3065 -3.3043 -1.9197 -1.9185 -1.3078 -1.3072 -0.7975 -0.7971 -0.0040 -0.0015 0.3281 0.3296 1.2500 1.2516 2.0578 2.0592 3.8183 3.8184 4.1771 4.1798 4.4108 4.4116 4.5393 4.5428 4.6470 4.6490 5.3278 5.3286 5.5458 5.5484 5.5817 5.5818 14.7403 14.7403 15.2535 15.2544 15.5778 15.5783 16.7759 16.7788 16.7870 16.7872 k =-0.1220 0.0721-0.0000 ( 2768 PWs) bands (ev): -16.0854 -16.0854 -13.1707 -13.1706 -13.1000 -13.1000 -12.8574 -12.8573 -12.0014 -12.0012 -11.9964 -11.9964 -4.0128 -4.0111 -3.4498 -3.4495 -3.2812 -3.2789 -1.9228 -1.9215 -1.2839 -1.2833 -0.8097 -0.8092 -0.0373 -0.0346 0.3197 0.3213 1.2783 1.2799 2.0764 2.0778 3.7825 3.7827 4.1222 4.1248 4.4345 4.4354 4.5301 4.5332 4.6696 4.6718 5.3263 5.3272 5.5336 5.5365 5.5696 5.5698 14.7667 14.7667 15.2390 15.2399 15.5615 15.5621 16.7817 16.7817 16.8289 16.8318 k =-0.1341 0.0793 0.0000 ( 2762 PWs) bands (ev): -16.0755 -16.0755 -13.1677 -13.1677 -13.1121 -13.1121 -12.8644 -12.8643 -12.0100 -12.0100 -11.9969 -11.9967 -4.0223 -4.0206 -3.4102 -3.4098 -3.2546 -3.2523 -1.9253 -1.9239 -1.2581 -1.2575 -0.8229 -0.8224 -0.0727 -0.0699 0.3105 0.3122 1.3085 1.3101 2.0964 2.0979 3.7473 3.7475 4.0632 4.0656 4.4577 4.4583 4.5191 4.5215 4.6928 4.6953 5.3242 5.3254 5.5212 5.5244 5.5565 5.5567 14.7953 14.7954 15.2237 15.2247 15.5479 15.5485 16.7762 16.7762 16.8812 16.8843 k =-0.1463 0.0865 0.0000 ( 2764 PWs) bands (ev): -16.0647 -16.0647 -13.1647 -13.1646 -13.1253 -13.1253 -12.8714 -12.8713 -12.0244 -12.0244 -11.9923 -11.9922 -4.0314 -4.0297 -3.3679 -3.3675 -3.2270 -3.2245 -1.9270 -1.9256 -1.2304 -1.2298 -0.8370 -0.8366 -0.1099 -0.1071 0.3006 0.3024 1.3404 1.3420 2.1177 2.1193 3.7126 3.7129 4.0001 4.0023 4.4793 4.4805 4.5075 4.5076 4.7164 4.7192 5.3215 5.3229 5.5091 5.5126 5.5424 5.5425 14.8260 14.8260 15.2083 15.2092 15.5369 15.5375 16.7702 16.7704 16.9325 16.9357 k =-0.1585 0.0937 0.0000 ( 2756 PWs) bands (ev): -16.0532 -16.0532 -13.1616 -13.1616 -13.1396 -13.1396 -12.8785 -12.8784 -12.0393 -12.0393 -11.9877 -11.9875 -4.0400 -4.0383 -3.3233 -3.3228 -3.1984 -3.1958 -1.9277 -1.9262 -1.2010 -1.2004 -0.8522 -0.8517 -0.1488 -0.1459 0.2900 0.2919 1.3738 1.3754 2.1402 2.1419 3.6785 3.6788 3.9332 3.9354 4.4836 4.4915 4.5030 4.5098 4.7402 4.7433 5.3180 5.3196 5.4974 5.5013 5.5274 5.5276 14.8586 14.8586 15.1932 15.1940 15.5282 15.5288 16.7637 16.7640 16.9822 16.9856 k =-0.1707 0.1009-0.0000 ( 2748 PWs) bands (ev): -16.0409 -16.0409 -13.1586 -13.1586 -13.1550 -13.1550 -12.8856 -12.8855 -12.0547 -12.0547 -11.9831 -11.9829 -4.0480 -4.0462 -3.2766 -3.2761 -3.1690 -3.1664 -1.9271 -1.9255 -1.1699 -1.1693 -0.8681 -0.8677 -0.1891 -0.1862 0.2786 0.2806 1.4085 1.4101 2.1637 2.1655 3.6451 3.6455 3.8630 3.8650 4.4679 4.4730 4.5251 4.5297 4.7638 4.7672 5.3138 5.3155 5.4863 5.4903 5.5119 5.5121 14.8930 14.8930 15.1788 15.1796 15.5217 15.5222 16.7564 16.7566 17.0298 17.0333 k =-0.1829 0.1081-0.0000 ( 2750 PWs) bands (ev): -16.0280 -16.0280 -13.1715 -13.1714 -13.1557 -13.1557 -12.8925 -12.8923 -12.0704 -12.0704 -11.9786 -11.9784 -4.0552 -4.0534 -3.2284 -3.2279 -3.1390 -3.1363 -1.9248 -1.9231 -1.1374 -1.1368 -0.8849 -0.8845 -0.2307 -0.2277 0.2665 0.2686 1.4444 1.4460 2.1881 2.1900 3.6124 3.6129 3.7896 3.7915 4.4477 4.4522 4.5470 4.5512 4.7871 4.7907 5.3087 5.3106 5.4752 5.4791 5.4966 5.4970 14.9290 14.9291 15.1656 15.1663 15.5170 15.5175 16.7477 16.7480 17.0750 17.0785 k =-0.1951 0.1154 0.0000 ( 2754 PWs) bands (ev): -16.0144 -16.0144 -13.1889 -13.1888 -13.1530 -13.1530 -12.8990 -12.8989 -12.0863 -12.0862 -11.9742 -11.9740 -4.0617 -4.0599 -3.1792 -3.1786 -3.1085 -3.1058 -1.9205 -1.9187 -1.1034 -1.1028 -0.9023 -0.9019 -0.2732 -0.2703 0.2537 0.2559 1.4814 1.4830 2.2133 2.2153 3.5805 3.5811 3.7133 3.7151 4.4247 4.4288 4.5686 4.5728 4.8100 4.8138 5.3028 5.3048 5.4626 5.4657 5.4832 5.4846 14.9666 14.9666 15.1538 15.1544 15.5141 15.5145 16.7372 16.7376 17.1172 17.1209 k =-0.2073 0.1226 0.0000 ( 2750 PWs) bands (ev): -16.0002 -16.0002 -13.2073 -13.2072 -13.1506 -13.1506 -12.9052 -12.9050 -12.1022 -12.1022 -11.9699 -11.9697 -4.0673 -4.0655 -3.1293 -3.1286 -3.0776 -3.0748 -1.9138 -1.9120 -1.0682 -1.0677 -0.9203 -0.9200 -0.3165 -0.3136 0.2401 0.2424 1.5193 1.5208 2.2390 2.2411 3.5496 3.5502 3.6346 3.6363 4.3992 4.4030 4.5898 4.5941 4.8323 4.8363 5.2964 5.2983 5.4468 5.4489 5.4738 5.4761 15.0056 15.0056 15.1437 15.1443 15.5127 15.5132 16.7243 16.7247 17.1561 17.1599 k =-0.2195 0.1298 0.0000 ( 2746 PWs) bands (ev): -15.9854 -15.9854 -13.2265 -13.2265 -13.1485 -13.1485 -12.9108 -12.9106 -12.1181 -12.1180 -11.9659 -11.9656 -4.0721 -4.0703 -3.0793 -3.0786 -3.0465 -3.0436 -1.9043 -1.9024 -1.0319 -1.0314 -0.9388 -0.9387 -0.3603 -0.3576 0.2258 0.2281 1.5580 1.5594 2.2652 2.2674 3.5195 3.5201 3.5537 3.5554 4.3711 4.3748 4.6106 4.6150 4.8539 4.8581 5.2895 5.2914 5.4283 5.4299 5.4676 5.4705 15.0458 15.0458 15.1354 15.1359 15.5129 15.5133 16.7082 16.7086 17.1921 17.2047 k =-0.2317 0.1370-0.0000 ( 2746 PWs) bands (ev): -15.9702 -15.9702 -13.2466 -13.2465 -13.1469 -13.1469 -12.9157 -12.9156 -12.1338 -12.1337 -11.9620 -11.9618 -4.0761 -4.0743 -3.0299 -3.0292 -3.0152 -3.0122 -1.8916 -1.8896 -0.9946 -0.9943 -0.9577 -0.9576 -0.4046 -0.4020 0.2106 0.2130 1.5972 1.5986 2.2917 2.2940 3.4708 3.4726 3.4903 3.4912 4.3407 4.3442 4.6308 4.6354 4.8749 4.8792 5.2824 5.2842 5.4083 5.4095 5.4637 5.4668 15.0871 15.0872 15.1290 15.1294 15.5145 15.5149 16.6883 16.6887 17.1535 17.1538 k =-0.2439 0.1442-0.0000 ( 2736 PWs) bands (ev): -15.9546 -15.9546 -13.2673 -13.2672 -13.1458 -13.1457 -12.9200 -12.9199 -12.1492 -12.1491 -11.9584 -11.9582 -4.0791 -4.0774 -2.9839 -2.9818 -2.9810 -2.9807 -1.8750 -1.8729 -0.9776 -0.9771 -0.9566 -0.9555 -0.4492 -0.4466 0.1946 0.1970 1.6369 1.6382 2.3184 2.3208 3.3868 3.3886 3.4621 3.4630 4.3080 4.3113 4.6505 4.6551 4.8951 4.8995 5.2753 5.2769 5.3873 5.3883 5.4613 5.4645 15.1243 15.1246 15.1295 15.1296 15.5176 15.5181 16.6640 16.6643 17.1065 17.1067 k =-0.2561 0.1514 0.0000 ( 2726 PWs) bands (ev): -15.9386 -15.9386 -13.2887 -13.2886 -13.1452 -13.1451 -12.9234 -12.9233 -12.1642 -12.1642 -11.9551 -11.9549 -4.0814 -4.0797 -2.9525 -2.9495 -2.9354 -2.9346 -1.8541 -1.8520 -0.9967 -0.9967 -0.9179 -0.9172 -0.4937 -0.4913 0.1777 0.1801 1.6768 1.6781 2.3451 2.3476 3.3017 3.3035 3.4350 3.4358 4.2733 4.2765 4.6693 4.6741 4.9145 4.9190 5.2684 5.2699 5.3656 5.3665 5.4602 5.4632 15.1213 15.1217 15.1726 15.1727 15.5223 15.5227 16.6350 16.6352 17.0649 17.0650 k =-0.2683 0.1586 0.0000 ( 2726 PWs) bands (ev): -15.9225 -15.9224 -13.3105 -13.3104 -13.1452 -13.1452 -12.9261 -12.9259 -12.1789 -12.1788 -11.9521 -11.9519 -4.0828 -4.0812 -2.9214 -2.9183 -2.8915 -2.8907 -1.8285 -1.8264 -1.0164 -1.0161 -0.8787 -0.8781 -0.5381 -0.5358 0.1597 0.1622 1.7169 1.7180 2.3717 2.3742 3.2160 3.2178 3.4088 3.4097 4.2367 4.2397 4.6874 4.6922 4.9332 4.9377 5.2619 5.2633 5.3435 5.3443 5.4599 5.4629 15.1200 15.1203 15.2164 15.2165 15.5285 15.5289 16.6017 16.6017 17.0286 17.0286 k =-0.2805 0.1658-0.0000 ( 2726 PWs) bands (ev): -15.9061 -15.9061 -13.3327 -13.3326 -13.1458 -13.1457 -12.9279 -12.9277 -12.1930 -12.1929 -11.9494 -11.9491 -4.0835 -4.0819 -2.8905 -2.8874 -2.8506 -2.8498 -1.7978 -1.7956 -1.0360 -1.0356 -0.8394 -0.8388 -0.5822 -0.5801 0.1407 0.1432 1.7569 1.7580 2.3979 2.4006 3.1301 3.1320 3.3837 3.3847 4.1985 4.2014 4.7045 4.7093 4.9510 4.9555 5.2558 5.2570 5.3211 5.3219 5.4604 5.4633 15.1201 15.1203 15.2607 15.2607 15.5363 15.5368 16.5646 16.5648 16.9969 16.9970 k =-0.2927 0.1730-0.0000 ( 2718 PWs) bands (ev): -15.8897 -15.8897 -13.3551 -13.3550 -13.1469 -13.1469 -12.9288 -12.9287 -12.2065 -12.2064 -11.9469 -11.9467 -4.0834 -4.0819 -2.8600 -2.8569 -2.8132 -2.8123 -1.7618 -1.7595 -1.0555 -1.0548 -0.8000 -0.7994 -0.6257 -0.6238 0.1204 0.1230 1.7967 1.7976 2.4237 2.4267 3.0445 3.0466 3.3597 3.3607 4.1591 4.1619 4.7206 4.7254 4.9679 4.9723 5.2503 5.2514 5.2989 5.2995 5.4615 5.4642 15.1214 15.1216 15.3051 15.3051 15.5458 15.5463 16.5251 16.5255 16.9691 16.9693 k =-0.3049 0.1802-0.0000 ( 2714 PWs) bands (ev): -15.8733 -15.8733 -13.3775 -13.3775 -13.1486 -13.1486 -12.9290 -12.9289 -12.2194 -12.2193 -11.9448 -11.9446 -4.0827 -4.0812 -2.8301 -2.8270 -2.7795 -2.7786 -1.7203 -1.7180 -1.0747 -1.0738 -0.7608 -0.7603 -0.6685 -0.6668 0.0989 0.1014 1.8360 1.8369 2.4488 2.4521 2.9596 2.9621 3.3369 3.3379 4.1187 4.1214 4.7356 4.7404 4.9837 4.9880 5.2454 5.2462 5.2769 5.2773 5.4631 5.4656 15.1236 15.1239 15.3494 15.3494 15.5569 15.5575 16.4844 16.4850 16.9439 16.9443 k =-0.3171 0.1874 0.0000 ( 2710 PWs) bands (ev): -15.8571 -15.8570 -13.3999 -13.3998 -13.1507 -13.1507 -12.9284 -12.9283 -12.2316 -12.2315 -11.9429 -11.9427 -4.0814 -4.0799 -2.8007 -2.7977 -2.7496 -2.7488 -1.6733 -1.6710 -1.0934 -1.0922 -0.7225 -0.7225 -0.7100 -0.7080 0.0758 0.0783 1.8747 1.8754 2.4730 2.4767 2.8762 2.8791 3.3151 3.3161 4.0777 4.0802 4.7496 4.7542 4.9984 5.0025 5.2411 5.2415 5.2557 5.2558 5.4650 5.4673 15.1267 15.1269 15.3932 15.3933 15.5698 15.5703 16.4439 16.4448 16.9204 16.9210 k =-0.3293 0.1947 0.0000 ( 2710 PWs) bands (ev): -15.8411 -15.8410 -13.4220 -13.4219 -13.1532 -13.1532 -12.9273 -12.9272 -12.2431 -12.2430 -11.9413 -11.9411 -4.0795 -4.0781 -2.7722 -2.7691 -2.7237 -2.7229 -1.6213 -1.6189 -1.1115 -1.1101 -0.7516 -0.7507 -0.6837 -0.6829 0.0512 0.0537 1.9125 1.9132 2.4958 2.5003 2.7948 2.7985 3.2945 3.2956 4.0365 4.0389 4.7623 4.7668 5.0117 5.0154 5.2330 5.2350 5.2374 5.2400 5.4671 5.4692 15.1303 15.1306 15.4362 15.4364 15.5843 15.5849 16.4050 16.4061 16.8977 16.8984 k =-0.3415 0.2019 0.0000 ( 2702 PWs) bands (ev): -15.8254 -15.8254 -13.4437 -13.4436 -13.1560 -13.1560 -12.9257 -12.9256 -12.2539 -12.2538 -11.9399 -11.9398 -4.0772 -4.0759 -2.7445 -2.7415 -2.7014 -2.7007 -1.5645 -1.5621 -1.1288 -1.1272 -0.7913 -0.7905 -0.6465 -0.6458 0.0248 0.0273 1.9492 1.9498 2.5160 2.5220 2.7166 2.7218 3.2751 3.2762 3.9954 3.9977 4.7740 4.7783 5.0232 5.0266 5.2153 5.2159 5.2342 5.2355 5.4694 5.4714 15.1344 15.1346 15.4777 15.4780 15.6003 15.6009 16.3688 16.3701 16.8750 16.8759 k =-0.3537 0.2091-0.0000 ( 2698 PWs) bands (ev): -15.8102 -15.8102 -13.4647 -13.4647 -13.1590 -13.1590 -12.9236 -12.9235 -12.2639 -12.2638 -11.9388 -11.9387 -4.0746 -4.0733 -2.7179 -2.7150 -2.6826 -2.6819 -1.5035 -1.5012 -1.1452 -1.1434 -0.8296 -0.8291 -0.6105 -0.6098 -0.0034 -0.0011 1.9846 1.9851 2.5299 2.5392 2.6448 2.6533 3.2570 3.2580 3.9550 3.9571 4.7845 4.7886 5.0326 5.0355 5.1986 5.1988 5.2315 5.2325 5.4717 5.4736 15.1385 15.1388 15.5173 15.5178 15.6177 15.6183 16.3364 16.3380 16.8518 16.8528 k =-0.3659 0.2163-0.0000 ( 2702 PWs) bands (ev): -15.7956 -15.7956 -13.4850 -13.4849 -13.1621 -13.1621 -12.9213 -12.9212 -12.2731 -12.2731 -11.9379 -11.9378 -4.0716 -4.0705 -2.6926 -2.6898 -2.6668 -2.6662 -1.4390 -1.4367 -1.1606 -1.1585 -0.8663 -0.8661 -0.5760 -0.5752 -0.0338 -0.0315 2.0185 2.0189 2.5202 2.5325 2.5990 2.6105 3.2400 3.2411 3.9155 3.9175 4.7939 4.7977 5.0391 5.0414 5.1844 5.1847 5.2293 5.2301 5.4741 5.4758 15.1428 15.1430 15.5543 15.5548 15.6362 15.6368 16.3089 16.3108 16.8276 16.8288 k =-0.3780 0.2235 0.0000 ( 2702 PWs) bands (ev): -15.7818 -15.7818 -13.5042 -13.5042 -13.1652 -13.1652 -12.9188 -12.9187 -12.2816 -12.2815 -11.9372 -11.9371 -4.0685 -4.0674 -2.6686 -2.6659 -2.6538 -2.6532 -1.3717 -1.3693 -1.1747 -1.1724 -0.9014 -0.9013 -0.5432 -0.5423 -0.0663 -0.0641 2.0505 2.0509 2.4727 2.4796 2.6021 2.6083 3.2244 3.2254 3.8774 3.8794 4.8022 4.8057 5.0421 5.0437 5.1737 5.1744 5.2275 5.2282 5.4765 5.4780 15.1469 15.1471 15.5878 15.5884 15.6555 15.6562 16.2874 16.2896 16.8022 16.8035 k =-0.3902 0.2307 0.0000 ( 2710 PWs) bands (ev): -15.7688 -15.7687 -13.5223 -13.5223 -13.1683 -13.1682 -12.9162 -12.9161 -12.2892 -12.2892 -11.9367 -11.9366 -4.0654 -4.0644 -2.6463 -2.6442 -2.6425 -2.6424 -1.3023 -1.2999 -1.1874 -1.1849 -0.9346 -0.9342 -0.5125 -0.5114 -0.1010 -0.0991 2.0805 2.0808 2.4136 2.4176 2.6174 2.6209 3.2100 3.2110 3.8412 3.8430 4.8094 4.8126 5.0412 5.0423 5.1671 5.1682 5.2260 5.2267 5.4788 5.4802 15.1508 15.1510 15.6171 15.6179 15.6753 15.6760 16.2728 16.2751 16.7754 16.7767 k =-0.4024 0.2379 0.0000 ( 2714 PWs) bands (ev): -15.7567 -15.7567 -13.5391 -13.5391 -13.1712 -13.1711 -12.9136 -12.9135 -12.2961 -12.2960 -11.9363 -11.9362 -4.0622 -4.0613 -2.6346 -2.6341 -2.6253 -2.6229 -1.2317 -1.2293 -1.1985 -1.1959 -0.9657 -0.9650 -0.4841 -0.4829 -0.1380 -0.1363 2.1082 2.1085 2.3556 2.3583 2.6337 2.6359 3.1971 3.1980 3.8073 3.8089 4.8157 4.8185 5.0369 5.0375 5.1642 5.1657 5.2249 5.2255 5.4810 5.4822 15.1544 15.1546 15.6417 15.6426 15.6951 15.6958 16.2657 16.2682 16.7471 16.7485 k =-0.4146 0.2451-0.0000 ( 2722 PWs) bands (ev): -15.7457 -15.7457 -13.5544 -13.5543 -13.1739 -13.1738 -12.9112 -12.9111 -12.3021 -12.3021 -11.9360 -11.9359 -4.0592 -4.0584 -2.6276 -2.6272 -2.6064 -2.6043 -1.2081 -1.2054 -1.1605 -1.1581 -0.9943 -0.9934 -0.4585 -0.4569 -0.1773 -0.1758 2.1334 2.1335 2.3019 2.3038 2.6491 2.6506 3.1855 3.1863 3.7761 3.7775 4.8210 4.8235 5.0302 5.0304 5.1644 5.1659 5.2240 5.2245 5.4830 5.4841 15.1578 15.1579 15.6612 15.6621 15.7144 15.7151 16.2663 16.2690 16.7173 16.7189 k =-0.4268 0.2523-0.0000 ( 2720 PWs) bands (ev): -15.7359 -15.7359 -13.5679 -13.5679 -13.1763 -13.1763 -12.9089 -12.9088 -12.3073 -12.3073 -11.9359 -11.9358 -4.0563 -4.0556 -2.6221 -2.6218 -2.5897 -2.5877 -1.2160 -1.2133 -1.0900 -1.0876 -1.0202 -1.0191 -0.4357 -0.4338 -0.2184 -0.2174 2.1556 2.1558 2.2538 2.2553 2.6631 2.6642 3.1753 3.1760 3.7480 3.7493 4.8254 4.8275 5.0222 5.0223 5.1664 5.1679 5.2233 5.2238 5.4849 5.4858 15.1607 15.1609 15.6757 15.6766 15.7328 15.7333 16.2746 16.2773 16.6863 16.6880 k =-0.4390 0.2595 0.0000 ( 2732 PWs) bands (ev): -15.7275 -15.7275 -13.5797 -13.5797 -13.1784 -13.1784 -12.9068 -12.9068 -12.3118 -12.3118 -11.9358 -11.9357 -4.0537 -4.0532 -2.6178 -2.6175 -2.5751 -2.5734 -1.2222 -1.2196 -1.0432 -1.0419 -1.0210 -1.0187 -0.4165 -0.4138 -0.2607 -0.2605 2.1743 2.1745 2.2126 2.2136 2.6754 2.6762 3.1666 3.1673 3.7234 3.7245 4.8290 4.8308 5.0141 5.0143 5.1692 5.1705 5.2228 5.2232 5.4865 5.4872 15.1632 15.1634 15.6858 15.6866 15.7496 15.7501 16.2895 16.2922 16.6544 16.6561 k =-0.4512 0.2668 0.0000 ( 2724 PWs) bands (ev): -15.7204 -15.7204 -13.5895 -13.5895 -13.1802 -13.1802 -12.9051 -12.9050 -12.3154 -12.3154 -11.9357 -11.9356 -4.0515 -4.0510 -2.6145 -2.6143 -2.5629 -2.5615 -1.2267 -1.2244 -1.0626 -1.0614 -0.9554 -0.9531 -0.4014 -0.3975 -0.3039 -0.3027 2.1738 2.1746 2.1942 2.1943 2.6858 2.6864 3.1594 3.1600 3.7028 3.7036 4.8319 4.8333 5.0067 5.0069 5.1723 5.1733 5.2225 5.2228 5.4879 5.4885 15.1653 15.1654 15.6923 15.6930 15.7643 15.7647 16.3098 16.3124 16.6221 16.6238 k =-0.4634 0.2740 0.0000 ( 2724 PWs) bands (ev): -15.7148 -15.7148 -13.5973 -13.5972 -13.1817 -13.1816 -12.9036 -12.9036 -12.3182 -12.3182 -11.9357 -11.9356 -4.0497 -4.0493 -2.6121 -2.6119 -2.5532 -2.5521 -1.2298 -1.2278 -1.0784 -1.0773 -0.8952 -0.8931 -0.3930 -0.3861 -0.3447 -0.3402 2.1478 2.1484 2.2053 2.2054 2.6941 2.6945 3.1538 3.1543 3.6863 3.6870 4.8340 4.8351 5.0006 5.0007 5.1750 5.1758 5.2223 5.2226 5.4890 5.4895 15.1670 15.1671 15.6962 15.6967 15.7764 15.7767 16.3334 16.3358 16.5903 16.5921 k =-0.4756 0.2812-0.0000 ( 2726 PWs) bands (ev): -15.7108 -15.7108 -13.6029 -13.6029 -13.1827 -13.1827 -12.9026 -12.9026 -12.3202 -12.3202 -11.9357 -11.9356 -4.0484 -4.0481 -2.6104 -2.6103 -2.5461 -2.5454 -1.2315 -1.2301 -1.0900 -1.0891 -0.8441 -0.8424 -0.4014 -0.3932 -0.3664 -0.3601 2.1281 2.1284 2.2143 2.2144 2.7002 2.7004 3.1498 3.1501 3.6744 3.6748 4.8356 4.8363 4.9960 4.9961 5.1772 5.1777 5.2222 5.2224 5.4898 5.4901 15.1682 15.1682 15.6982 15.6986 15.7854 15.7856 16.3578 16.3598 16.5611 16.5626 k =-0.4878 0.2884-0.0000 ( 2726 PWs) bands (ev): -15.7083 -15.7083 -13.6062 -13.6062 -13.1833 -13.1833 -12.9020 -12.9020 -12.3214 -12.3214 -11.9356 -11.9356 -4.0475 -4.0474 -2.6095 -2.6094 -2.5418 -2.5414 -1.2322 -1.2315 -1.0970 -1.0966 -0.8080 -0.8069 -0.4215 -0.4182 -0.3640 -0.3619 2.1161 2.1162 2.2199 2.2199 2.7039 2.7040 3.1474 3.1476 3.6672 3.6674 4.8366 4.8369 4.9932 4.9932 5.1786 5.1789 5.2222 5.2222 5.4904 5.4905 15.1689 15.1689 15.6992 15.6994 15.7910 15.7911 16.3783 16.3795 16.5384 16.5395 k =-0.5000 0.2956 0.0000 ( 2722 PWs) bands (ev): -15.7075 -15.7075 -13.6074 -13.6074 -13.1835 -13.1835 -12.9018 -12.9018 -12.3218 -12.3218 -11.9356 -11.9356 -4.0472 -4.0472 -2.6091 -2.6091 -2.5402 -2.5402 -1.2322 -1.2322 -1.0993 -1.0993 -0.7942 -0.7942 -0.4296 -0.4296 -0.3619 -0.3619 2.1121 2.1121 2.2217 2.2217 2.7052 2.7052 3.1467 3.1467 3.6648 3.6648 4.8370 4.8370 4.9922 4.9922 5.1791 5.1791 5.2222 5.2222 5.4906 5.4906 15.1691 15.1691 15.6996 15.6996 15.7929 15.7929 16.3873 16.3873 16.5297 16.5297 k =-0.5000 0.2956 0.0000 ( 2722 PWs) bands (ev): -15.7075 -15.7075 -13.6074 -13.6074 -13.1835 -13.1835 -12.9018 -12.9018 -12.3218 -12.3218 -11.9356 -11.9356 -4.0472 -4.0472 -2.6091 -2.6091 -2.5402 -2.5402 -1.2322 -1.2322 -1.0993 -1.0993 -0.7942 -0.7942 -0.4296 -0.4296 -0.3619 -0.3619 2.1121 2.1121 2.2217 2.2217 2.7052 2.7052 3.1467 3.1467 3.6648 3.6648 4.8370 4.8370 4.9922 4.9922 5.1791 5.1791 5.2222 5.2222 5.4906 5.4906 15.1691 15.1691 15.6996 15.6996 15.7929 15.7929 16.3873 16.3873 16.5297 16.5297 k =-0.4929 0.3076-0.0000 ( 2728 PWs) bands (ev): -15.7067 -15.7067 -13.6123 -13.6123 -13.1798 -13.1798 -12.9014 -12.9013 -12.3219 -12.3219 -11.9356 -11.9356 -4.0466 -4.0465 -2.6203 -2.6186 -2.5275 -2.5257 -1.2380 -1.2370 -1.1049 -1.1045 -0.7936 -0.7935 -0.4254 -0.4242 -0.3587 -0.3582 2.1123 2.1123 2.2201 2.2206 2.7041 2.7048 3.1448 3.1458 3.6662 3.6676 4.8379 4.8383 4.9923 4.9924 5.1735 5.1784 5.2203 5.2253 5.4902 5.4906 15.1657 15.1663 15.6862 15.6896 15.8077 15.8101 16.3879 16.3880 16.5337 16.5339 k =-0.4859 0.3195-0.0000 ( 2728 PWs) bands (ev): -15.7044 -15.7044 -13.6265 -13.6265 -13.1692 -13.1692 -12.9001 -12.9001 -12.3223 -12.3223 -11.9355 -11.9355 -4.0447 -4.0445 -2.6404 -2.6381 -2.4984 -2.4960 -1.2539 -1.2520 -1.1210 -1.1201 -0.7921 -0.7921 -0.4118 -0.4096 -0.3489 -0.3480 2.1128 2.1129 2.2157 2.2168 2.7014 2.7029 3.1402 3.1422 3.6716 3.6743 4.8409 4.8416 4.9927 4.9929 5.1631 5.1711 5.2198 5.2280 5.4894 5.4901 15.1562 15.1573 15.6625 15.6672 15.8436 15.8463 16.3899 16.3900 16.5459 16.5462 k =-0.4788 0.3315-0.0000 ( 2724 PWs) bands (ev): -15.7006 -15.7006 -13.6489 -13.6488 -13.1529 -13.1529 -12.8981 -12.8981 -12.3229 -12.3229 -11.9354 -11.9354 -4.0415 -4.0412 -2.6606 -2.6581 -2.4622 -2.4597 -1.2789 -1.2762 -1.1459 -1.1447 -0.7906 -0.7906 -0.3900 -0.3868 -0.3331 -0.3317 2.1138 2.1139 2.2085 2.2101 2.6974 2.6996 3.1332 3.1361 3.6807 3.6848 4.8460 4.8470 4.9934 4.9937 5.1490 5.1587 5.2195 5.2293 5.4882 5.4893 15.1415 15.1429 15.6382 15.6434 15.8889 15.8913 16.3932 16.3933 16.5659 16.5664 k =-0.4717 0.3434-0.0000 ( 2724 PWs) bands (ev): -15.6953 -15.6953 -13.6777 -13.6777 -13.1324 -13.1324 -12.8953 -12.8952 -12.3238 -12.3238 -11.9352 -11.9352 -4.0370 -4.0367 -2.6787 -2.6762 -2.4218 -2.4191 -1.3117 -1.3082 -1.1782 -1.1766 -0.7899 -0.7899 -0.3613 -0.3572 -0.3119 -0.3102 2.1151 2.1152 2.1984 2.2006 2.6920 2.6950 3.1242 3.1279 3.6934 3.6986 4.8530 4.8544 4.9944 4.9948 5.1320 5.1424 5.2179 5.2286 5.4866 5.4881 15.1226 15.1242 15.6159 15.6212 15.9398 15.9416 16.3976 16.3978 16.5935 16.5941 k =-0.4646 0.3554-0.0000 ( 2732 PWs) bands (ev): -15.6884 -15.6884 -13.7118 -13.7118 -13.1091 -13.1090 -12.8916 -12.8916 -12.3251 -12.3250 -11.9349 -11.9349 -4.0313 -4.0309 -2.6939 -2.6914 -2.3778 -2.3751 -1.3506 -1.3466 -1.2161 -1.2142 -0.7908 -0.7908 -0.3271 -0.3223 -0.2865 -0.2844 2.1169 2.1169 2.1855 2.1881 2.6853 2.6890 3.1137 3.1180 3.7091 3.7152 4.8620 4.8637 4.9956 4.9961 5.1123 5.1231 5.2144 5.2255 5.4847 5.4866 15.1006 15.1024 15.5961 15.6014 15.9948 15.9961 16.4032 16.4034 16.6279 16.6286 k =-0.4576 0.3674-0.0000 ( 2728 PWs) bands (ev): -15.6800 -15.6800 -13.7498 -13.7498 -13.0839 -13.0838 -12.8872 -12.8872 -12.3267 -12.3266 -11.9345 -11.9345 -4.0243 -4.0238 -2.7062 -2.7035 -2.3308 -2.3280 -1.3944 -1.3899 -1.2584 -1.2563 -0.7935 -0.7935 -0.2888 -0.2834 -0.2577 -0.2553 2.1190 2.1191 2.1698 2.1727 2.6776 2.6819 3.1022 3.1069 3.7275 3.7343 4.8729 4.8748 4.9971 4.9978 5.0903 5.1013 5.2088 5.2201 5.4825 5.4849 15.0767 15.0785 15.5790 15.5840 16.0531 16.0537 16.4098 16.4101 16.6687 16.6696 k =-0.4505 0.3793-0.0000 ( 2730 PWs) bands (ev): -15.6701 -15.6701 -13.7911 -13.7911 -13.0577 -13.0576 -12.8820 -12.8820 -12.3288 -12.3287 -11.9339 -11.9339 -4.0160 -4.0154 -2.7152 -2.7125 -2.2809 -2.2781 -1.4420 -1.4371 -1.3040 -1.3018 -0.7982 -0.7981 -0.2476 -0.2417 -0.2265 -0.2238 2.1209 2.1217 2.1517 2.1544 2.6688 2.6739 3.0900 3.0951 3.7480 3.7554 4.8854 4.8876 4.9988 4.9997 5.0662 5.0772 5.2009 5.2123 5.4800 5.4829 15.0520 15.0536 15.5644 15.5692 16.1140 16.1141 16.4172 16.4175 16.7154 16.7163 k =-0.4434 0.3913-0.0000 ( 2726 PWs) bands (ev): -15.6587 -15.6587 -13.8349 -13.8349 -13.0309 -13.0309 -12.8760 -12.8760 -12.3315 -12.3314 -11.9332 -11.9332 -4.0065 -4.0059 -2.7211 -2.7183 -2.2284 -2.2255 -1.4923 -1.4871 -1.3522 -1.3498 -0.8048 -0.8047 -0.2045 -0.1982 -0.1934 -0.1905 2.1184 2.1229 2.1349 2.1355 2.6591 2.6649 3.0776 3.0829 3.7703 3.7782 4.8994 4.9018 5.0008 5.0020 5.0402 5.0512 5.1907 5.2022 5.4774 5.4808 15.0271 15.0286 15.5522 15.5568 16.1767 16.1771 16.4253 16.4257 16.7673 16.7683 k =-0.4364 0.4032-0.0000 ( 2728 PWs) bands (ev): -15.6458 -15.6458 -13.8807 -13.8807 -13.0041 -13.0041 -12.8693 -12.8692 -12.3347 -12.3346 -11.9324 -11.9323 -3.9959 -3.9951 -2.7237 -2.7209 -2.1736 -2.1706 -1.5447 -1.5391 -1.4024 -1.3999 -0.8133 -0.8133 -0.1615 -0.1605 -0.1548 -0.1522 2.0988 2.1053 2.1315 2.1337 2.6487 2.6551 3.0654 3.0709 3.7941 3.8024 4.9147 4.9174 5.0026 5.0045 5.0129 5.0233 5.1782 5.1897 5.4748 5.4787 15.0028 15.0042 15.5427 15.5468 16.2410 16.2420 16.4339 16.4343 16.8238 16.8250 k =-0.4293 0.4152-0.0000 ( 2736 PWs) bands (ev): -15.6314 -15.6314 -13.9283 -13.9283 -12.9774 -12.9774 -12.8619 -12.8618 -12.3386 -12.3385 -11.9313 -11.9313 -3.9840 -3.9832 -2.7233 -2.7204 -2.1166 -2.1136 -1.5982 -1.5924 -1.4541 -1.4514 -0.8236 -0.8236 -0.1264 -0.1245 -0.1122 -0.1064 2.0710 2.0775 2.1359 2.1376 2.6377 2.6447 3.0537 3.0592 3.8190 3.8275 4.9309 4.9340 4.9825 4.9937 5.0060 5.0076 5.1636 5.1750 5.4722 5.4766 14.9796 14.9808 15.5356 15.5394 16.3068 16.3082 16.4426 16.4431 16.8846 16.8857 k =-0.4222 0.4272-0.0000 ( 2728 PWs) bands (ev): -15.6154 -15.6154 -13.9773 -13.9772 -12.9510 -12.9510 -12.8537 -12.8536 -12.3433 -12.3432 -11.9300 -11.9300 -3.9710 -3.9701 -2.7199 -2.7168 -2.0580 -2.0551 -1.6522 -1.6460 -1.5068 -1.5040 -0.8357 -0.8357 -0.0927 -0.0902 -0.0667 -0.0602 2.0392 2.0459 2.1416 2.1432 2.6261 2.6337 3.0428 3.0482 3.8448 3.8535 4.9465 4.9493 4.9540 4.9642 5.0087 5.0110 5.1468 5.1581 5.4698 5.4749 14.9580 14.9590 15.5311 15.5347 16.3738 16.3756 16.4513 16.4519 16.9490 16.9502 k =-0.4152 0.4391-0.0000 ( 2728 PWs) bands (ev): -15.5981 -15.5980 -14.0274 -14.0274 -12.9250 -12.9250 -12.8448 -12.8447 -12.3487 -12.3486 -11.9285 -11.9285 -3.9569 -3.9559 -2.7135 -2.7103 -1.9990 -1.9961 -1.7051 -1.6985 -1.5603 -1.5574 -0.8495 -0.8495 -0.0596 -0.0569 -0.0208 -0.0139 2.0040 2.0109 2.1483 2.1500 2.6141 2.6222 3.0329 3.0382 3.8714 3.8800 4.9196 4.9292 4.9665 4.9697 5.0117 5.0152 5.1280 5.1392 5.4678 5.4735 14.9381 14.9389 15.5293 15.5325 16.4417 16.4439 16.4596 16.4603 17.0167 17.0179 k =-0.4081 0.4511-0.0000 ( 2734 PWs) bands (ev): -15.5792 -15.5792 -14.0785 -14.0785 -12.8995 -12.8994 -12.8353 -12.8352 -12.3551 -12.3549 -11.9268 -11.9268 -3.9418 -3.9406 -2.7045 -2.7011 -1.9428 -1.9400 -1.7535 -1.7464 -1.6143 -1.6112 -0.8650 -0.8649 -0.0276 -0.0248 0.0250 0.0321 1.9654 1.9726 2.1562 2.1579 2.6016 2.6102 3.0242 3.0294 3.8984 3.9070 4.8866 4.8963 4.9826 4.9876 5.0152 5.0205 5.1073 5.1184 5.4663 5.4728 14.9203 14.9209 15.5301 15.5330 16.4672 16.4680 16.5102 16.5128 17.0872 17.0884 k =-0.4010 0.4630-0.0000 ( 2742 PWs) bands (ev): -15.5589 -15.5588 -14.1305 -14.1305 -12.8745 -12.8744 -12.8251 -12.8250 -12.3623 -12.3621 -11.9249 -11.9249 -3.9256 -3.9243 -2.6929 -2.6893 -1.9044 -1.9013 -1.7821 -1.7749 -1.6686 -1.6653 -0.8820 -0.8819 0.0030 0.0059 0.0702 0.0776 1.9238 1.9312 2.1653 2.1670 2.5886 2.5978 3.0169 3.0219 3.9257 3.9342 4.8527 4.8623 4.9970 5.0046 5.0198 5.0281 5.0849 5.0958 5.4656 5.4729 14.9046 14.9051 15.5337 15.5363 16.4738 16.4747 16.5792 16.5821 17.1602 17.1614 k =-0.3939 0.4750-0.0000 ( 2742 PWs) bands (ev): -15.5371 -15.5371 -14.1831 -14.1831 -12.8500 -12.8499 -12.8143 -12.8142 -12.3704 -12.3702 -11.9228 -11.9227 -3.9085 -3.9071 -2.6791 -2.6752 -1.9165 -1.9116 -1.7582 -1.7522 -1.7228 -1.7193 -0.9006 -0.9005 0.0319 0.0349 0.1149 0.1224 1.8792 1.8868 2.1757 2.1775 2.5752 2.5848 3.0112 3.0160 3.9532 3.9616 4.8183 4.8276 5.0080 5.0166 5.0291 5.0390 5.0611 5.0716 5.4659 5.4741 14.8912 14.8915 15.5401 15.5424 16.4791 16.4800 16.6484 16.6516 17.2353 17.2364 k =-0.3869 0.4870-0.0000 ( 2740 PWs) bands (ev): -15.5139 -15.5138 -14.2362 -14.2362 -12.8260 -12.8260 -12.8029 -12.8028 -12.3794 -12.3793 -11.9205 -11.9205 -3.8905 -3.8889 -2.6635 -2.6591 -1.9597 -1.9534 -1.7770 -1.7737 -1.7003 -1.6955 -0.9207 -0.9205 0.0588 0.0619 0.1587 0.1664 1.8319 1.8397 2.1875 2.1894 2.5614 2.5714 3.0072 3.0117 3.9808 3.9890 4.7835 4.7925 5.0156 5.0223 5.0348 5.0438 5.0464 5.0536 5.4675 5.4766 14.8802 14.8803 15.5493 15.5513 16.4826 16.4837 16.7177 16.7212 17.3092 17.3123 k =-0.3798 0.4989-0.0000 ( 2740 PWs) bands (ev): -15.4892 -15.4892 -14.2898 -14.2898 -12.8025 -12.8025 -12.7909 -12.7908 -12.3894 -12.3892 -11.9181 -11.9180 -3.8716 -3.8699 -2.6466 -2.6417 -2.0094 -2.0023 -1.8308 -1.8273 -1.6334 -1.6287 -0.9423 -0.9421 0.0836 0.0867 0.2017 0.2095 1.7820 1.7900 2.2008 2.2029 2.5470 2.5573 3.0049 3.0092 4.0084 4.0163 4.7486 4.7572 5.0083 5.0183 5.0214 5.0274 5.0596 5.0680 5.4707 5.4808 14.8715 14.8715 15.5613 15.5630 16.4841 16.4853 16.7870 16.7907 17.3271 17.3281 k =-0.3727 0.5109-0.0000 ( 2738 PWs) bands (ev): -15.4631 -15.4631 -14.3437 -14.3437 -12.7796 -12.7795 -12.7784 -12.7783 -12.4003 -12.4001 -11.9155 -11.9155 -3.8520 -3.8502 -2.6291 -2.6236 -2.0597 -2.0517 -1.8841 -1.8804 -1.5626 -1.5580 -0.9653 -0.9651 0.1058 0.1089 0.2437 0.2516 1.7299 1.7379 2.2159 2.2180 2.5319 2.5426 3.0046 3.0086 4.0358 4.0434 4.7137 4.7220 4.9804 4.9906 5.0264 5.0310 5.0738 5.0821 5.4758 5.4868 14.8650 14.8652 15.5761 15.5775 16.4832 16.4846 16.8560 16.8600 17.3438 17.3449 k =-0.3657 0.5228-0.0000 ( 2734 PWs) bands (ev): -15.4357 -15.4357 -14.3978 -14.3978 -12.7655 -12.7653 -12.7571 -12.7571 -12.4120 -12.4118 -11.9129 -11.9129 -3.8318 -3.8298 -2.6120 -2.6058 -2.1080 -2.0992 -1.9366 -1.9328 -1.4896 -1.4850 -0.9899 -0.9896 0.1253 0.1284 0.2846 0.2926 1.6758 1.6839 2.2327 2.2350 2.5162 2.5272 3.0063 3.0100 4.0629 4.0702 4.6790 4.6870 4.9515 4.9616 5.0310 5.0351 5.0864 5.0949 5.4829 5.4948 14.8609 14.8612 15.5937 15.5948 16.4797 16.4812 16.9246 16.9288 17.3582 17.3594 k =-0.3586 0.5348-0.0000 ( 2730 PWs) bands (ev): -15.4069 -15.4068 -14.4520 -14.4520 -12.7521 -12.7519 -12.7351 -12.7351 -12.4246 -12.4244 -11.9103 -11.9103 -3.8110 -3.8089 -2.5970 -2.5899 -2.1524 -2.1426 -1.9883 -1.9843 -1.4149 -1.4102 -1.0158 -1.0156 0.1417 0.1449 0.3245 0.3326 1.6200 1.6283 2.2514 2.2539 2.4997 2.5109 3.0099 3.0134 4.0897 4.0966 4.6449 4.6524 4.9218 4.9316 5.0356 5.0392 5.0971 5.1059 5.4923 5.5049 14.8591 14.8595 15.6139 15.6148 16.4734 16.4750 16.9927 16.9971 17.3694 17.3707 k =-0.3515 0.5468-0.0000 ( 2726 PWs) bands (ev): -15.3766 -15.3766 -14.5063 -14.5063 -12.7382 -12.7381 -12.7136 -12.7136 -12.4380 -12.4378 -11.9077 -11.9076 -3.7899 -3.7876 -2.5861 -2.5782 -2.1905 -2.1798 -2.0388 -2.0346 -1.3390 -1.3342 -1.0432 -1.0430 0.1549 0.1581 0.3634 0.3715 1.5630 1.5713 2.2721 2.2749 2.4823 2.4938 3.0157 3.0189 4.1160 4.1225 4.6114 4.6185 4.8914 4.9010 5.0401 5.0434 5.1057 5.1149 5.5039 5.5172 14.8596 14.8601 15.6368 15.6375 16.4640 16.4658 17.0602 17.0648 17.3762 17.3775 k =-0.3444 0.5587-0.0000 ( 2726 PWs) bands (ev): -15.3451 -15.3451 -14.5605 -14.5605 -12.7241 -12.7239 -12.6926 -12.6926 -12.4521 -12.4519 -11.9050 -11.9050 -3.7684 -3.7660 -2.5823 -2.5737 -2.2193 -2.2078 -2.0881 -2.0837 -1.2621 -1.2572 -1.0720 -1.0718 0.1645 0.1677 0.4012 0.4093 1.5050 1.5133 2.2948 2.2980 2.4640 2.4756 3.0235 3.0264 4.1418 4.1478 4.5788 4.5855 4.8606 4.8699 5.0446 5.0477 5.1123 5.1217 5.5177 5.5315 14.8622 14.8628 15.6622 15.6627 16.4516 16.4535 17.1269 17.1317 17.3771 17.3785 k =-0.3374 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.3122 -15.3122 -14.6146 -14.6146 -12.7096 -12.7094 -12.6722 -12.6722 -12.4667 -12.4665 -11.9025 -11.9025 -3.7469 -3.7443 -2.5883 -2.5796 -2.2357 -2.2240 -2.1358 -2.1312 -1.1844 -1.1794 -1.1022 -1.1020 0.1703 0.1735 0.4380 0.4461 1.4464 1.4547 2.3197 2.3233 2.4448 2.4564 3.0335 3.0361 4.1669 4.1725 4.5473 4.5535 4.8294 4.8385 5.0492 5.0520 5.1169 5.1266 5.5334 5.5477 14.8670 14.8676 15.6901 15.6903 16.4360 16.4381 17.1927 17.1976 17.3709 17.3722 k =-0.3374 0.5707-0.0000 ( 2732 PWs) bands (ev): -15.3122 -15.3122 -14.6146 -14.6146 -12.7096 -12.7094 -12.6722 -12.6722 -12.4667 -12.4665 -11.9025 -11.9025 -3.7469 -3.7443 -2.5883 -2.5796 -2.2357 -2.2240 -2.1358 -2.1312 -1.1844 -1.1794 -1.1022 -1.1020 0.1703 0.1735 0.4380 0.4461 1.4464 1.4547 2.3197 2.3233 2.4448 2.4564 3.0335 3.0361 4.1669 4.1725 4.5473 4.5535 4.8294 4.8385 5.0492 5.0520 5.1169 5.1266 5.5334 5.5477 14.8670 14.8676 15.6901 15.6903 16.4360 16.4381 17.1927 17.1976 17.3709 17.3722 k =-0.3374 0.5707 0.0141 ( 2728 PWs) bands (ev): -15.3114 -15.3114 -14.6139 -14.6139 -12.7111 -12.7110 -12.6729 -12.6729 -12.4667 -12.4665 -11.9027 -11.9027 -3.7451 -3.7424 -2.5947 -2.5865 -2.2266 -2.2153 -2.1344 -2.1298 -1.1868 -1.1818 -1.1029 -1.1026 0.1708 0.1740 0.4388 0.4469 1.4453 1.4536 2.3195 2.3231 2.4438 2.4553 3.0327 3.0354 4.1684 4.1740 4.5466 4.5528 4.8290 4.8381 5.0485 5.0509 5.1183 5.1276 5.5335 5.5478 14.8658 14.8664 15.6896 15.6898 16.4327 16.4348 17.1962 17.2011 17.3696 17.3709 k =-0.3374 0.5707 0.0281 ( 2727 PWs) bands (ev): -15.3091 -15.3091 -14.6120 -14.6120 -12.7158 -12.7156 -12.6752 -12.6751 -12.4667 -12.4665 -11.9034 -11.9033 -3.7395 -3.7368 -2.6124 -2.6051 -2.2011 -2.1909 -2.1302 -2.1256 -1.1940 -1.1891 -1.1047 -1.1045 0.1723 0.1755 0.4411 0.4491 1.4420 1.4503 2.3189 2.3225 2.4408 2.4523 3.0305 3.0331 4.1730 4.1786 4.5446 4.5507 4.8279 4.8369 5.0463 5.0479 5.1222 5.1306 5.5340 5.5483 14.8622 14.8629 15.6881 15.6884 16.4229 16.4250 17.2065 17.2114 17.3658 17.3669 k =-0.3374 0.5707 0.0422 ( 2733 PWs) bands (ev): -15.3053 -15.3053 -14.6087 -14.6087 -12.7236 -12.7234 -12.6790 -12.6789 -12.4667 -12.4665 -11.9045 -11.9044 -3.7302 -3.7275 -2.6376 -2.6315 -2.1634 -2.1544 -2.1231 -2.1185 -1.2059 -1.2010 -1.1079 -1.1076 0.1747 0.1779 0.4449 0.4528 1.4366 1.4448 2.3179 2.3215 2.4357 2.4472 3.0269 3.0294 4.1806 4.1861 4.5413 4.5473 4.8260 4.8349 5.0428 5.0432 5.1281 5.1353 5.5348 5.5490 14.8564 14.8570 15.6859 15.6862 16.4068 16.4088 17.2231 17.2279 17.3596 17.3604 k =-0.3374 0.5707 0.0563 ( 2735 PWs) bands (ev): -15.2999 -15.2999 -14.6042 -14.6042 -12.7345 -12.7343 -12.6844 -12.6843 -12.4665 -12.4663 -11.9060 -11.9060 -3.7174 -3.7147 -2.6672 -2.6621 -2.1173 -2.1133 -2.1090 -2.1084 -1.2222 -1.2175 -1.1122 -1.1120 0.1781 0.1813 0.4500 0.4577 1.4290 1.4371 2.3165 2.3201 2.4287 2.4400 3.0222 3.0246 4.1911 4.1964 4.5367 4.5426 4.8234 4.8321 5.0376 5.0384 5.1355 5.1415 5.5359 5.5501 14.8484 14.8491 15.6833 15.6838 16.3847 16.3867 17.2454 17.2501 17.3514 17.3520 k =-0.3374 0.5707 0.0704 ( 2734 PWs) bands (ev): -15.2929 -15.2929 -14.5983 -14.5983 -12.7483 -12.7482 -12.6914 -12.6914 -12.4662 -12.4660 -11.9080 -11.9080 -3.7010 -3.6983 -2.6986 -2.6944 -2.1006 -2.0961 -2.0645 -2.0575 -1.2428 -1.2382 -1.1178 -1.1175 0.1825 0.1857 0.4560 0.4636 1.4193 1.4273 2.3145 2.3182 2.4196 2.4308 3.0166 3.0189 4.2040 4.2092 4.5309 4.5367 4.8198 4.8284 5.0313 5.0333 5.1440 5.1488 5.5374 5.5515 14.8386 14.8393 15.6807 15.6813 16.3571 16.3590 17.2723 17.2769 17.3417 17.3419 k =-0.3374 0.5707 0.0844 ( 2731 PWs) bands (ev): -15.2845 -15.2844 -14.5912 -14.5912 -12.7652 -12.7650 -12.7002 -12.7002 -12.4656 -12.4654 -11.9104 -11.9104 -3.6812 -3.6785 -2.7304 -2.7269 -2.0851 -2.0806 -2.0076 -2.0013 -1.2674 -1.2629 -1.1245 -1.1243 0.1879 0.1911 0.4628 0.4702 1.4075 1.4155 2.3120 2.3158 2.4084 2.4194 3.0105 3.0127 4.2193 4.2244 4.5240 4.5296 4.8154 4.8238 5.0244 5.0275 5.1534 5.1571 5.5391 5.5531 14.8273 14.8280 15.6786 15.6792 16.3244 16.3263 17.3028 17.3071 17.3306 17.3308 k =-0.3374 0.5707 0.0985 ( 2725 PWs) bands (ev): -15.2745 -15.2744 -14.5828 -14.5828 -12.7848 -12.7847 -12.7108 -12.7108 -12.4645 -12.4643 -11.9133 -11.9132 -3.6581 -3.6554 -2.7615 -2.7586 -2.0669 -2.0623 -1.9473 -1.9415 -1.2955 -1.2912 -1.1324 -1.1321 0.1942 0.1975 0.4701 0.4772 1.3938 1.4016 2.3090 2.3129 2.3951 2.4059 3.0042 3.0063 4.2367 4.2415 4.5160 4.5213 4.8101 4.8182 5.0171 5.0212 5.1634 5.1662 5.5411 5.5550 14.8147 14.8155 15.6771 15.6778 16.2874 16.2892 17.3185 17.3191 17.3358 17.3399 k =-0.3374 0.5707 0.1126 ( 2727 PWs) bands (ev): -15.2629 -15.2629 -14.5731 -14.5731 -12.8073 -12.8072 -12.7233 -12.7233 -12.4630 -12.4628 -11.9165 -11.9165 -3.6319 -3.6292 -2.7915 -2.7891 -2.0458 -2.0413 -1.8841 -1.8788 -1.3269 -1.3227 -1.1414 -1.1411 0.2015 0.2048 0.4774 0.4843 1.3782 1.3859 2.3053 2.3094 2.3797 2.3902 2.9980 3.0000 4.2557 4.2604 4.5070 4.5121 4.8038 4.8116 5.0095 5.0145 5.1740 5.1759 5.5434 5.5572 14.8014 14.8022 15.6766 15.6775 16.2466 16.2483 17.3061 17.3070 17.3700 17.3738 k =-0.3374 0.5707 0.1267 ( 2727 PWs) bands (ev): -15.2499 -15.2499 -14.5621 -14.5621 -12.8325 -12.8324 -12.7377 -12.7376 -12.4610 -12.4608 -11.9202 -11.9202 -3.6027 -3.6000 -2.8199 -2.8178 -2.0221 -2.0175 -1.8187 -1.8138 -1.3611 -1.3571 -1.1513 -1.1510 0.2098 0.2131 0.4846 0.4912 1.3609 1.3684 2.3010 2.3053 2.3622 2.3723 2.9923 2.9941 4.2763 4.2808 4.4971 4.5020 4.7964 4.8039 5.0016 5.0073 5.1849 5.1860 5.5459 5.5596 14.7878 14.7887 15.6773 15.6784 16.2028 16.2046 17.2936 17.2948 17.4046 17.4082 k =-0.3374 0.5707 0.1407 ( 2729 PWs) bands (ev): -15.2353 -15.2353 -14.5499 -14.5499 -12.8603 -12.8601 -12.7539 -12.7539 -12.4583 -12.4582 -11.9244 -11.9243 -3.5708 -3.5681 -2.8464 -2.8446 -1.9957 -1.9911 -1.7516 -1.7471 -1.3978 -1.3938 -1.1621 -1.1619 0.2191 0.2224 0.4914 0.4976 1.3417 1.3491 2.2960 2.3007 2.3425 2.3521 2.9873 2.9889 4.2980 4.3024 4.4864 4.4910 4.7880 4.7952 4.9934 4.9998 5.1961 5.1965 5.5487 5.5622 14.7744 14.7753 15.6794 15.6805 16.1568 16.1585 17.2812 17.2828 17.4387 17.4421 k =-0.3374 0.5707 0.1548 ( 2729 PWs) bands (ev): -15.2193 -15.2193 -14.5365 -14.5364 -12.8905 -12.8904 -12.7721 -12.7720 -12.4551 -12.4549 -11.9289 -11.9289 -3.5363 -3.5336 -2.8709 -2.8694 -1.9668 -1.9622 -1.6834 -1.6793 -1.4361 -1.4322 -1.1737 -1.1735 0.2294 0.2327 0.4974 0.5033 1.3210 1.3281 2.2901 2.2955 2.3210 2.3296 2.9831 2.9846 4.3207 4.3248 4.4750 4.4793 4.7784 4.7853 4.9850 4.9920 5.2071 5.2074 5.5517 5.5650 14.7616 14.7626 15.6827 15.6840 16.1094 16.1111 17.2693 17.2711 17.4719 17.4750 k =-0.3374 0.5707 0.1689 ( 2729 PWs) bands (ev): -15.2018 -15.2017 -14.5218 -14.5217 -12.9231 -12.9230 -12.7920 -12.7919 -12.4512 -12.4511 -11.9339 -11.9338 -3.4995 -3.4968 -2.8933 -2.8920 -1.9355 -1.9310 -1.6160 -1.6124 -1.4742 -1.4702 -1.1858 -1.1856 0.2406 0.2439 0.5024 0.5081 1.2987 1.3057 2.2818 2.2899 2.2991 2.3049 2.9800 2.9813 4.3440 4.3480 4.4631 4.4671 4.7678 4.7744 4.9763 4.9839 5.2179 5.2188 5.5549 5.5680 14.7499 14.7510 15.6873 15.6887 16.0612 16.0629 17.2580 17.2600 17.5037 17.5066 k =-0.3374 0.5707 0.1829 ( 2725 PWs) bands (ev): -15.1827 -15.1827 -14.5058 -14.5058 -12.9580 -12.9578 -12.8138 -12.8137 -12.4467 -12.4466 -11.9392 -11.9392 -3.4606 -3.4579 -2.9134 -2.9123 -1.9021 -1.8977 -1.5635 -1.5611 -1.4981 -1.4932 -1.1981 -1.1979 0.2528 0.2562 0.5063 0.5117 1.2750 1.2817 2.2637 2.2769 2.2843 2.2847 2.9779 2.9791 4.3677 4.3717 4.4507 4.4544 4.7560 4.7623 4.9675 4.9755 5.2286 5.2301 5.5582 5.5712 14.7399 14.7409 15.6931 15.6946 16.0129 16.0146 17.2473 17.2495 17.5340 17.5366 k =-0.3374 0.5707 0.1970 ( 2724 PWs) bands (ev): -15.1622 -15.1622 -14.4887 -14.4887 -12.9949 -12.9947 -12.8373 -12.8372 -12.4416 -12.4415 -11.9450 -11.9450 -3.4197 -3.4170 -2.9312 -2.9304 -1.8671 -1.8627 -1.5791 -1.5767 -1.4542 -1.4497 -1.2102 -1.2101 0.2660 0.2694 0.5089 0.5139 1.2499 1.2564 2.2362 2.2475 2.2763 2.2784 2.9768 2.9778 4.3915 4.3956 4.4382 4.4413 4.7431 4.7490 4.9585 4.9669 5.2392 5.2412 5.5617 5.5744 14.7317 14.7329 15.6998 15.7015 15.9653 15.9670 17.2373 17.2397 17.5628 17.5652 k =-0.3374 0.5707 0.2111 ( 2728 PWs) bands (ev): -15.1403 -15.1403 -14.4704 -14.4703 -13.0338 -13.0336 -12.8624 -12.8623 -12.4359 -12.4358 -11.9511 -11.9511 -3.3772 -3.3745 -2.9468 -2.9461 -1.8309 -1.8266 -1.6206 -1.6181 -1.3850 -1.3809 -1.2215 -1.2214 0.2802 0.2836 0.5100 0.5147 1.2234 1.2297 2.2050 2.2154 2.2698 2.2725 2.9766 2.9775 4.4133 4.4193 4.4274 4.4283 4.7291 4.7347 4.9494 4.9582 5.2496 5.2521 5.5652 5.5777 14.7260 14.7272 15.7073 15.7091 15.9189 15.9206 17.2280 17.2306 17.5901 17.5922 k =-0.3374 0.5707 0.2252 ( 2730 PWs) bands (ev): -15.1169 -15.1169 -14.4508 -14.4508 -13.0745 -13.0744 -12.8891 -12.8890 -12.4296 -12.4296 -11.9577 -11.9576 -3.3332 -3.3305 -2.9601 -2.9594 -1.7944 -1.7903 -1.6660 -1.6636 -1.3124 -1.3085 -1.2312 -1.2310 0.2953 0.2987 0.5096 0.5140 1.1958 1.2018 2.1709 2.1808 2.2639 2.2670 2.9771 2.9778 4.4099 4.4142 4.4416 4.4438 4.7141 4.7194 4.9402 4.9493 5.2597 5.2627 5.5687 5.5810 14.7228 14.7241 15.7154 15.7173 15.8743 15.8760 17.2195 17.2222 17.6160 17.6179 k =-0.3374 0.5707 0.2392 ( 2730 PWs) bands (ev): -15.0921 -15.0921 -14.4302 -14.4301 -13.1169 -13.1168 -12.9172 -12.9171 -12.4228 -12.4228 -11.9646 -11.9646 -3.2879 -3.2852 -2.9710 -2.9705 -1.7590 -1.7551 -1.7128 -1.7105 -1.2399 -1.2392 -1.2365 -1.2340 0.3114 0.3149 0.5075 0.5116 1.1670 1.1728 2.1342 2.1436 2.2588 2.2620 2.9781 2.9787 4.3972 4.4008 4.4648 4.4674 4.6981 4.7030 4.9310 4.9404 5.2695 5.2729 5.5722 5.5842 14.7226 14.7240 15.7237 15.7257 15.8320 15.8337 17.2114 17.2144 17.6190 17.6202 k =-0.3374 0.5707 0.2533 ( 2728 PWs) bands (ev): -15.0659 -15.0658 -14.4083 -14.4083 -13.1609 -13.1608 -12.9468 -12.9467 -12.4155 -12.4154 -11.9719 -11.9718 -3.2415 -3.2389 -2.9796 -2.9792 -1.7611 -1.7588 -1.7257 -1.7221 -1.2407 -1.2399 -1.1646 -1.1611 0.3285 0.3319 0.5038 0.5076 1.1370 1.1425 2.0950 2.1039 2.2545 2.2578 2.9793 2.9797 4.3842 4.3874 4.4881 4.4907 4.6811 4.6858 4.9220 4.9316 5.2790 5.2828 5.5756 5.5873 14.7255 14.7270 15.7320 15.7341 15.7925 15.7943 17.2036 17.2068 17.5767 17.5777 k =-0.3374 0.5707 0.2674 ( 2726 PWs) bands (ev): -15.0382 -15.0382 -14.3854 -14.3854 -13.2063 -13.2062 -12.9776 -12.9775 -12.4077 -12.4076 -11.9795 -11.9795 -3.1943 -3.1917 -2.9859 -2.9856 -1.8093 -1.8070 -1.6976 -1.6945 -1.2365 -1.2353 -1.0907 -1.0873 0.3465 0.3500 0.4984 0.5020 1.1059 1.1112 2.0532 2.0617 2.2514 2.2548 2.9804 2.9807 4.3714 4.3743 4.5108 4.5135 4.6634 4.6677 4.9130 4.9228 5.2881 5.2924 5.5788 5.5902 14.7317 14.7332 15.7399 15.7422 15.7563 15.7581 17.1954 17.1989 17.5320 17.5326 k =-0.3374 0.5707 0.2815 ( 2726 PWs) bands (ev): -15.0092 -15.0092 -14.3614 -14.3613 -13.2530 -13.2529 -13.0097 -13.0096 -12.3994 -12.3994 -11.9875 -11.9875 -3.1464 -3.1438 -2.9899 -2.9897 -1.8579 -1.8557 -1.6765 -1.6739 -1.2235 -1.2217 -1.0171 -1.0138 0.3655 0.3690 0.4914 0.4946 1.0738 1.0788 2.0090 2.0171 2.2497 2.2531 2.9810 2.9811 4.3588 4.3615 4.5329 4.5356 4.6448 4.6488 4.9043 4.9143 5.2969 5.3016 5.5817 5.5928 14.7413 14.7428 15.7237 15.7255 15.7472 15.7496 17.1858 17.1897 17.4858 17.4860 k =-0.3374 0.5707 0.2955 ( 2728 PWs) bands (ev): -14.9789 -14.9788 -14.3362 -14.3362 -13.3009 -13.3008 -13.0429 -13.0428 -12.3907 -12.3907 -11.9958 -11.9958 -3.0979 -3.0954 -2.9916 -2.9915 -1.9066 -1.9046 -1.6642 -1.6623 -1.1999 -1.1976 -0.9441 -0.9409 0.3855 0.3890 0.4827 0.4857 1.0405 1.0452 1.9624 1.9701 2.2496 2.2531 2.9808 2.9809 4.3467 4.3492 4.5543 4.5569 4.6257 4.6294 4.8959 4.9060 5.3055 5.3105 5.5842 5.5951 14.7543 14.7559 15.6951 15.6969 15.7534 15.7560 17.1729 17.1772 17.4399 17.4402 k =-0.3374 0.5707 0.3096 ( 2726 PWs) bands (ev): -14.9472 -14.9471 -14.3100 -14.3100 -13.3498 -13.3497 -13.0771 -13.0770 -12.3816 -12.3816 -12.0045 -12.0045 -3.0490 -3.0465 -2.9911 -2.9910 -1.9553 -1.9534 -1.6614 -1.6601 -1.1652 -1.1623 -0.8719 -0.8689 0.4064 0.4098 0.4724 0.4751 1.0062 1.0106 1.9135 1.9207 2.2514 2.2549 2.9794 2.9795 4.3352 4.3375 4.5747 4.5772 4.6062 4.6095 4.8878 4.8980 5.3139 5.3193 5.5863 5.5968 14.7707 14.7724 15.6708 15.6726 15.7583 15.7610 17.1538 17.1585 17.3976 17.3984 k =-0.3374 0.5707 0.3237 ( 2724 PWs) bands (ev): -14.9141 -14.9141 -14.2828 -14.2828 -13.3996 -13.3995 -13.1122 -13.1121 -12.3721 -12.3721 -12.0135 -12.0135 -3.0000 -2.9974 -2.9884 -2.9883 -2.0038 -2.0020 -1.6674 -1.6666 -1.1200 -1.1166 -0.8008 -0.7979 0.4281 0.4316 0.4606 0.4630 0.9708 0.9749 1.8623 1.8691 2.2553 2.2588 2.9765 2.9768 4.3244 4.3265 4.5850 4.5881 4.5951 4.5979 4.8801 4.8903 5.3222 5.3280 5.5878 5.5981 14.7906 14.7924 15.6510 15.6528 15.7615 15.7644 17.1247 17.1296 17.3633 17.3644 k =-0.3374 0.5707 0.3377 ( 2718 PWs) bands (ev): -14.8798 -14.8798 -14.2546 -14.2546 -13.4502 -13.4501 -13.1482 -13.1481 -12.3623 -12.3622 -12.0228 -12.0228 -2.9837 -2.9835 -2.9504 -2.9481 -2.0520 -2.0502 -1.6810 -1.6806 -1.0660 -1.0622 -0.7310 -0.7282 0.4460 0.4473 0.4529 0.4555 0.9343 0.9380 1.8091 1.8155 2.2615 2.2649 2.9718 2.9723 4.3143 4.3163 4.5652 4.5682 4.6128 4.6159 4.8729 4.8831 5.3306 5.3367 5.5887 5.5987 14.8138 14.8157 15.6360 15.6378 15.7627 15.7657 17.0829 17.0878 17.3403 17.3414 k =-0.3374 0.5707 0.3518 ( 2724 PWs) bands (ev): -14.8442 -14.8442 -14.2254 -14.2254 -13.5015 -13.5014 -13.1850 -13.1849 -12.3521 -12.3521 -12.0324 -12.0324 -2.9767 -2.9765 -2.9010 -2.8987 -2.0998 -2.0981 -1.7006 -1.7005 -1.0046 -1.0007 -0.6627 -0.6600 0.4318 0.4338 0.4748 0.4783 0.8965 0.8999 1.7541 1.7599 2.2700 2.2735 2.9652 2.9657 4.3052 4.3070 4.5447 4.5474 4.6300 4.6332 4.8662 4.8763 5.3391 5.3455 5.5888 5.5985 14.8402 14.8422 15.6259 15.6277 15.7616 15.7646 17.0291 17.0337 17.3283 17.3292 k =-0.3374 0.5707 0.3659 ( 2721 PWs) bands (ev): -14.8074 -14.8074 -14.1953 -14.1953 -13.5533 -13.5532 -13.2224 -13.2223 -12.3417 -12.3416 -12.0423 -12.0423 -2.9677 -2.9674 -2.8516 -2.8493 -2.1471 -2.1455 -1.7250 -1.7248 -0.9375 -0.9334 -0.5961 -0.5935 0.4154 0.4172 0.4991 0.5026 0.8576 0.8606 1.6974 1.7028 2.2811 2.2846 2.9562 2.9569 4.2971 4.2987 4.5242 4.5266 4.6462 4.6495 4.8599 4.8699 5.3478 5.3545 5.5881 5.5976 14.8698 14.8719 15.6209 15.6227 15.7577 15.7609 16.9662 16.9703 17.3250 17.3256 k =-0.3374 0.5707 0.3800 ( 2721 PWs) bands (ev): -14.7694 -14.7694 -14.1643 -14.1642 -13.6055 -13.6054 -13.2604 -13.2603 -12.3309 -12.3309 -12.0525 -12.0525 -2.9566 -2.9563 -2.8022 -2.8000 -2.1938 -2.1922 -1.7531 -1.7528 -0.8658 -0.8615 -0.5314 -0.5289 0.3976 0.3992 0.5239 0.5274 0.8177 0.8203 1.6394 1.6442 2.2948 2.2982 2.9449 2.9457 4.2900 4.2915 4.5038 4.5060 4.6613 4.6648 4.8541 4.8639 5.3569 5.3639 5.5865 5.5958 14.9023 14.9044 15.6210 15.6229 15.7509 15.7542 16.8969 16.9006 17.3278 17.3281 k =-0.3374 0.5707 0.3940 ( 2727 PWs) bands (ev): -14.7302 -14.7301 -14.1323 -14.1323 -13.6581 -13.6580 -13.2990 -13.2989 -12.3199 -12.3199 -12.0629 -12.0629 -2.9434 -2.9431 -2.7529 -2.7508 -2.2397 -2.2383 -1.7843 -1.7838 -0.7905 -0.7861 -0.4687 -0.4663 0.3784 0.3797 0.5489 0.5523 0.7769 0.7792 1.5802 1.5845 2.3111 2.3145 2.9310 2.9320 4.2842 4.2855 4.4836 4.4856 4.6753 4.6790 4.8485 4.8583 5.3664 5.3736 5.5840 5.5931 14.9374 14.9397 15.6264 15.6283 15.7410 15.7443 16.8234 16.8269 17.3350 17.3350 k =-0.3374 0.5707 0.4081 ( 2721 PWs) bands (ev): -14.6898 -14.6898 -14.0996 -14.0995 -13.7109 -13.7108 -13.3379 -13.3378 -12.3087 -12.3087 -12.0735 -12.0735 -2.9283 -2.9279 -2.7038 -2.7017 -2.2849 -2.2835 -1.8178 -1.8172 -0.7123 -0.7079 -0.4081 -0.4058 0.3578 0.3589 0.5723 0.5756 0.7369 0.7388 1.5204 1.5241 2.3301 2.3334 2.9145 2.9156 4.2795 4.2808 4.4638 4.4655 4.6883 4.6922 4.8433 4.8528 5.3764 5.3837 5.5805 5.5895 14.9750 14.9774 15.6371 15.6390 15.7277 15.7311 16.7475 16.7507 17.3455 17.3456 k =-0.3374 0.5707 0.4222 ( 2723 PWs) bands (ev): -14.6483 -14.6483 -14.0660 -14.0660 -13.7638 -13.7637 -13.3772 -13.3771 -12.2973 -12.2973 -12.0844 -12.0844 -2.9113 -2.9109 -2.6549 -2.6528 -2.3293 -2.3279 -1.8533 -1.8526 -0.6319 -0.6275 -0.3497 -0.3476 0.3358 0.3368 0.5892 0.5920 0.7024 0.7042 1.4602 1.4634 2.3516 2.3548 2.8954 2.8966 4.2762 4.2773 4.4445 4.4460 4.7004 4.7046 4.8382 4.8475 5.3869 5.3944 5.5761 5.5849 15.0148 15.0173 15.6530 15.6550 15.7110 15.7145 16.6701 16.6731 17.3586 17.3589 k =-0.3374 0.5707 0.4363 ( 2721 PWs) bands (ev): -14.6058 -14.6057 -14.0317 -14.0316 -13.8168 -13.8167 -13.4168 -13.4167 -12.2857 -12.2857 -12.0955 -12.0955 -2.8924 -2.8919 -2.6062 -2.6042 -2.3727 -2.3714 -1.8905 -1.8897 -0.5499 -0.5455 -0.2937 -0.2917 0.3125 0.3132 0.5842 0.5858 0.6886 0.6910 1.4001 1.4027 2.3756 2.3787 2.8736 2.8749 4.2742 4.2752 4.4258 4.4270 4.7117 4.7162 4.8331 4.8421 5.3978 5.4055 5.5706 5.5793 15.0565 15.0591 15.6742 15.6762 15.6909 15.6943 16.5922 16.5950 17.3741 17.3746 k =-0.3374 0.5707 0.4503 ( 2715 PWs) bands (ev): -14.5622 -14.5621 -13.9966 -13.9966 -13.8697 -13.8696 -13.4566 -13.4565 -12.2740 -12.2740 -12.1068 -12.1068 -2.8716 -2.8711 -2.5577 -2.5558 -2.4150 -2.4138 -1.9292 -1.9283 -0.4668 -0.4624 -0.2400 -0.2381 0.2878 0.2883 0.5501 0.5506 0.7026 0.7055 1.3405 1.3425 2.4019 2.4050 2.8494 2.8509 4.2736 4.2745 4.4078 4.4088 4.7223 4.7271 4.8280 4.8367 5.4093 5.4170 5.5642 5.5727 15.0998 15.1025 15.6670 15.6706 15.7008 15.7027 16.5145 16.5171 17.3917 17.3922 k =-0.3374 0.5707 0.4644 ( 2714 PWs) bands (ev): -14.5176 -14.5176 -13.9608 -13.9608 -13.9224 -13.9224 -13.4965 -13.4964 -12.2621 -12.2621 -12.1183 -12.1182 -2.8491 -2.8485 -2.5096 -2.5078 -2.4564 -2.4552 -1.9692 -1.9682 -0.3831 -0.3788 -0.1886 -0.1869 0.2616 0.2620 0.5011 0.5013 0.7297 0.7328 1.2818 1.2832 2.4303 2.4333 2.8229 2.8244 4.2744 4.2752 4.3906 4.3915 4.7323 4.7374 4.8227 4.8311 5.4212 5.4290 5.5568 5.5652 15.1444 15.1472 15.6399 15.6434 15.7323 15.7343 16.4376 16.4401 17.4110 17.4116 k =-0.3374 0.5707 0.4785 ( 2710 PWs) bands (ev): -14.4720 -14.4720 -13.9750 -13.9749 -13.9244 -13.9244 -13.5364 -13.5363 -12.2502 -12.2501 -12.1299 -12.1299 -2.8248 -2.8242 -2.4967 -2.4956 -2.4617 -2.4599 -2.0103 -2.0092 -0.2994 -0.2952 -0.1397 -0.1381 0.2341 0.2342 0.4449 0.4457 0.7622 0.7652 1.2245 1.2252 2.4605 2.4634 2.7942 2.7959 4.2766 4.2773 4.3743 4.3750 4.7419 4.7472 4.8171 4.8253 5.4334 5.4413 5.5485 5.5568 15.1898 15.1927 15.6095 15.6130 15.7689 15.7708 16.3620 16.3644 17.4319 17.4326 k =-0.3374 0.5707 0.4925 ( 2716 PWs) bands (ev): -14.4256 -14.4255 -14.0272 -14.0271 -13.8875 -13.8874 -13.5763 -13.5763 -12.2381 -12.2381 -12.1416 -12.1416 -2.7988 -2.7981 -2.5357 -2.5346 -2.4143 -2.4125 -2.0524 -2.0512 -0.2160 -0.2120 -0.0931 -0.0916 0.2050 0.2050 0.3841 0.3854 0.7979 0.8007 1.1687 1.1689 2.4924 2.4952 2.7637 2.7655 4.2803 4.2809 4.3590 4.3596 4.7510 4.7566 4.8112 4.8191 5.4458 5.4538 5.5393 5.5476 15.2358 15.2388 15.5760 15.5795 15.8102 15.8122 16.2883 16.2906 17.4542 17.4550 k =-0.3374 0.5707 0.5066 ( 2716 PWs) bands (ev): -14.3783 -14.3782 -14.0790 -14.0790 -13.8499 -13.8499 -13.6162 -13.6161 -12.2260 -12.2260 -12.1535 -12.1535 -2.7712 -2.7705 -2.5735 -2.5725 -2.3672 -2.3655 -2.0954 -2.0941 -0.1336 -0.1297 -0.0487 -0.0474 0.1741 0.1743 0.3192 0.3210 0.8361 0.8388 1.1145 1.1149 2.5255 2.5282 2.7316 2.7335 4.2854 4.2859 4.3448 4.3452 4.7598 4.7657 4.8050 4.8126 5.4584 5.4664 5.5294 5.5375 15.2819 15.2850 15.5397 15.5432 15.8562 15.8582 16.2168 16.2191 17.4778 17.4787 k =-0.3374 0.5707 0.5207 ( 2718 PWs) bands (ev): -14.3301 -14.3300 -14.1304 -14.1304 -13.8119 -13.8118 -13.6559 -13.6558 -12.2139 -12.2139 -12.1655 -12.1654 -2.7419 -2.7412 -2.6100 -2.6090 -2.3205 -2.3189 -2.1391 -2.1378 -0.0525 -0.0488 -0.0065 -0.0053 0.1417 0.1420 0.2509 0.2531 0.8767 0.8791 1.0623 1.0631 2.5597 2.5622 2.6983 2.7003 4.2920 4.2923 4.3318 4.3320 4.7682 4.7743 4.7984 4.8056 5.4710 5.4790 5.5187 5.5268 15.3278 15.3309 15.5009 15.5044 15.9067 15.9087 16.1480 16.1503 17.5025 17.5035 k =-0.3374 0.5707 0.5348 ( 2720 PWs) bands (ev): -14.2812 -14.2811 -14.1813 -14.1812 -13.7734 -13.7733 -13.6953 -13.6953 -12.2017 -12.2017 -12.1775 -12.1775 -2.7111 -2.7103 -2.6451 -2.6442 -2.2743 -2.2728 -2.1836 -2.1822 0.0257 0.0289 0.0348 0.0357 0.1075 0.1080 0.1793 0.1819 0.9195 0.9217 1.0123 1.0137 2.5943 2.5968 2.6640 2.6662 4.2999 4.3001 4.3200 4.3201 4.7762 4.7827 4.7914 4.7984 5.4834 5.4914 5.5074 5.5155 15.3730 15.3763 15.4600 15.4633 15.9614 15.9634 16.0823 16.0845 17.5283 17.5294 k =-0.3374 0.5707 0.5488 ( 2716 PWs) bands (ev): -14.2316 -14.2316 -14.2315 -14.2314 -13.7346 -13.7345 -13.7345 -13.7344 -12.1896 -12.1896 -12.1896 -12.1896 -2.6789 -2.6788 -2.6780 -2.6780 -2.2287 -2.2286 -2.2273 -2.2272 0.0708 0.0709 0.0714 0.0715 0.1050 0.1052 0.1080 0.1081 0.9647 0.9648 0.9665 0.9665 2.6292 2.6293 2.6315 2.6316 4.3093 4.3093 4.3094 4.3095 4.7839 4.7840 4.7907 4.7907 5.4956 5.4956 5.5036 5.5037 15.4171 15.4173 15.4204 15.4206 16.0199 16.0201 16.0220 16.0222 17.5551 17.5558 k =-0.3374 0.5707 0.5488 ( 2716 PWs) bands (ev): -14.2316 -14.2316 -14.2315 -14.2314 -13.7346 -13.7345 -13.7345 -13.7344 -12.1896 -12.1896 -12.1896 -12.1896 -2.6789 -2.6788 -2.6780 -2.6780 -2.2287 -2.2286 -2.2273 -2.2272 0.0708 0.0709 0.0714 0.0715 0.1050 0.1052 0.1080 0.1081 0.9647 0.9648 0.9665 0.9665 2.6292 2.6293 2.6315 2.6316 4.3093 4.3093 4.3094 4.3095 4.7839 4.7840 4.7907 4.7907 5.4956 5.4956 5.5036 5.5037 15.4171 15.4173 15.4204 15.4206 16.0199 16.0201 16.0220 16.0222 17.5550 17.5556 k =-0.3444 0.5587 0.5488 ( 2716 PWs) bands (ev): -14.2590 -14.2589 -14.2588 -14.2587 -13.6957 -13.6956 -13.6955 -13.6955 -12.2002 -12.2002 -12.2002 -12.2001 -2.7418 -2.7418 -2.7410 -2.7409 -2.1774 -2.1772 -2.1759 -2.1758 0.0773 0.0774 0.0779 0.0780 0.1159 0.1160 0.1188 0.1190 0.9611 0.9611 0.9629 0.9630 2.6397 2.6398 2.6420 2.6420 4.3289 4.3290 4.3290 4.3291 4.7623 4.7623 4.7688 4.7689 5.4860 5.4861 5.4939 5.4939 15.4129 15.4130 15.4162 15.4163 15.9945 15.9946 15.9965 15.9966 17.5820 17.5828 k =-0.3515 0.5468 0.5488 ( 2716 PWs) bands (ev): -14.2853 -14.2852 -14.2851 -14.2850 -13.6572 -13.6571 -13.6570 -13.6570 -12.2108 -12.2108 -12.2108 -12.2108 -2.8037 -2.8036 -2.8029 -2.8028 -2.1272 -2.1271 -2.1258 -2.1256 0.0840 0.0841 0.0846 0.0847 0.1248 0.1250 0.1278 0.1280 0.9578 0.9578 0.9597 0.9597 2.6516 2.6517 2.6538 2.6538 4.3495 4.3495 4.3496 4.3497 4.7394 4.7395 4.7457 4.7458 5.4770 5.4771 5.4846 5.4846 15.4087 15.4089 15.4119 15.4121 15.9685 15.9687 15.9704 15.9706 17.6113 17.6114 k =-0.3586 0.5348 0.5488 ( 2716 PWs) bands (ev): -14.3105 -14.3105 -14.3104 -14.3103 -13.6192 -13.6191 -13.6191 -13.6190 -12.2215 -12.2215 -12.2215 -12.2214 -2.8643 -2.8642 -2.8635 -2.8634 -2.0784 -2.0782 -2.0769 -2.0768 0.0909 0.0910 0.0914 0.0915 0.1320 0.1322 0.1350 0.1352 0.9547 0.9548 0.9566 0.9567 2.6648 2.6648 2.6668 2.6669 4.3709 4.3709 4.3710 4.3711 4.7156 4.7157 4.7216 4.7217 5.4685 5.4686 5.4758 5.4758 15.4048 15.4049 15.4079 15.4081 15.9423 15.9425 15.9441 15.9443 17.6422 17.6434 k =-0.3657 0.5228 0.5488 ( 2716 PWs) bands (ev): -14.3347 -14.3347 -14.3346 -14.3345 -13.5819 -13.5818 -13.5817 -13.5817 -12.2322 -12.2322 -12.2322 -12.2321 -2.9233 -2.9233 -2.9226 -2.9226 -2.0309 -2.0308 -2.0295 -2.0293 0.0978 0.0979 0.0983 0.0984 0.1377 0.1378 0.1407 0.1408 0.9518 0.9518 0.9537 0.9538 2.6790 2.6791 2.6809 2.6810 4.3929 4.3930 4.3930 4.3931 4.6909 4.6910 4.6967 4.6968 5.4605 5.4606 5.4675 5.4675 15.4012 15.4013 15.4043 15.4044 15.9161 15.9163 15.9178 15.9180 17.6749 17.6758 k =-0.3727 0.5109 0.5488 ( 2722 PWs) bands (ev): -14.3578 -14.3578 -14.3577 -14.3576 -13.5453 -13.5452 -13.5451 -13.5451 -12.2429 -12.2429 -12.2429 -12.2428 -2.9807 -2.9807 -2.9801 -2.9800 -1.9849 -1.9848 -1.9835 -1.9834 0.1048 0.1049 0.1052 0.1053 0.1418 0.1420 0.1448 0.1450 0.9489 0.9490 0.9509 0.9509 2.6942 2.6942 2.6960 2.6961 4.4154 4.4155 4.4156 4.4156 4.6656 4.6656 4.6711 4.6711 5.4530 5.4530 5.4596 5.4596 15.3980 15.3981 15.4010 15.4011 15.8900 15.8902 15.8916 15.8918 17.7083 17.7093 k =-0.3798 0.4989 0.5488 ( 2726 PWs) bands (ev): -14.3798 -14.3798 -14.3796 -14.3796 -13.5095 -13.5094 -13.5094 -13.5093 -12.2536 -12.2536 -12.2536 -12.2535 -3.0362 -3.0362 -3.0356 -3.0356 -1.9405 -1.9404 -1.9391 -1.9390 0.1118 0.1119 0.1121 0.1122 0.1448 0.1449 0.1476 0.1478 0.9461 0.9461 0.9481 0.9481 2.7102 2.7102 2.7119 2.7120 4.4382 4.4383 4.4383 4.4384 4.6398 4.6398 4.6449 4.6450 5.4459 5.4459 5.4522 5.4522 15.3953 15.3954 15.3982 15.3984 15.8644 15.8646 15.8659 15.8661 17.7424 17.7431 k =-0.3869 0.4870 0.5488 ( 2718 PWs) bands (ev): -14.4007 -14.4006 -14.4005 -14.4004 -13.4747 -13.4746 -13.4746 -13.4745 -12.2642 -12.2642 -12.2642 -12.2642 -3.0897 -3.0896 -3.0891 -3.0890 -1.8978 -1.8976 -1.8964 -1.8963 0.1187 0.1188 0.1189 0.1190 0.1466 0.1468 0.1494 0.1495 0.9433 0.9433 0.9452 0.9452 2.7268 2.7269 2.7284 2.7285 4.4611 4.4612 4.4612 4.4613 4.6137 4.6138 4.6186 4.6186 5.4392 5.4393 5.4451 5.4452 15.3931 15.3933 15.3960 15.3962 15.8393 15.8395 15.8407 15.8409 17.7770 17.7784 k =-0.3939 0.4750 0.5488 ( 2714 PWs) bands (ev): -14.4204 -14.4203 -14.4202 -14.4201 -13.4409 -13.4408 -13.4408 -13.4407 -12.2748 -12.2748 -12.2748 -12.2747 -3.1409 -3.1408 -3.1403 -3.1403 -1.8569 -1.8567 -1.8555 -1.8554 0.1254 0.1255 0.1256 0.1256 0.1476 0.1477 0.1501 0.1503 0.9404 0.9404 0.9423 0.9423 2.7439 2.7440 2.7454 2.7455 4.4838 4.4840 4.4840 4.4841 4.5876 4.5876 4.5921 4.5922 5.4329 5.4330 5.4385 5.4385 15.3916 15.3918 15.3944 15.3945 15.8150 15.8152 15.8163 15.8165 17.8118 17.8126 k =-0.4010 0.4630 0.5488 ( 2714 PWs) bands (ev): -14.4389 -14.4388 -14.4387 -14.4386 -13.4083 -13.4082 -13.4082 -13.4081 -12.2852 -12.2852 -12.2852 -12.2852 -3.1896 -3.1896 -3.1891 -3.1891 -1.8178 -1.8176 -1.8165 -1.8163 0.1317 0.1318 0.1319 0.1321 0.1479 0.1481 0.1502 0.1503 0.9374 0.9375 0.9393 0.9393 2.7613 2.7614 2.7628 2.7628 4.5062 4.5064 4.5064 4.5066 4.5616 4.5617 4.5658 4.5659 5.4270 5.4271 5.4322 5.4322 15.3907 15.3909 15.3934 15.3935 15.7916 15.7918 15.7928 15.7930 17.8460 17.8471 k =-0.4081 0.4511 0.5488 ( 2714 PWs) bands (ev): -14.4562 -14.4561 -14.4560 -14.4559 -13.3770 -13.3769 -13.3769 -13.3768 -12.2955 -12.2955 -12.2955 -12.2955 -3.2358 -3.2358 -3.2353 -3.2353 -1.7807 -1.7806 -1.7795 -1.7793 0.1370 0.1372 0.1379 0.1381 0.1483 0.1485 0.1498 0.1500 0.9344 0.9345 0.9362 0.9362 2.7789 2.7789 2.7802 2.7803 4.5270 4.5272 4.5282 4.5284 4.5371 4.5372 4.5400 4.5400 5.4215 5.4216 5.4263 5.4264 15.3904 15.3906 15.3930 15.3931 15.7692 15.7694 15.7703 15.7705 17.8797 17.8809 k =-0.4152 0.4391 0.5488 ( 2710 PWs) bands (ev): -14.4723 -14.4722 -14.4721 -14.4720 -13.3471 -13.3471 -13.3470 -13.3470 -12.3056 -12.3056 -12.3055 -12.3055 -3.2793 -3.2792 -3.2788 -3.2788 -1.7458 -1.7456 -1.7446 -1.7444 0.1402 0.1404 0.1424 0.1426 0.1501 0.1502 0.1502 0.1503 0.9314 0.9314 0.9331 0.9331 2.7963 2.7964 2.7976 2.7976 4.5103 4.5104 4.5142 4.5143 4.5498 4.5499 4.5500 4.5501 5.4164 5.4164 5.4208 5.4209 15.3907 15.3909 15.3931 15.3933 15.7480 15.7483 15.7490 15.7492 17.9122 17.9128 k =-0.4222 0.4272 0.5488 ( 2714 PWs) bands (ev): -14.4871 -14.4871 -14.4869 -14.4869 -13.3188 -13.3188 -13.3187 -13.3187 -12.3153 -12.3153 -12.3153 -12.3153 -3.3198 -3.3197 -3.3194 -3.3193 -1.7130 -1.7128 -1.7119 -1.7117 0.1404 0.1406 0.1433 0.1434 0.1534 0.1535 0.1541 0.1542 0.9283 0.9284 0.9299 0.9300 2.8135 2.8136 2.8146 2.8147 4.4862 4.4862 4.4896 4.4897 4.5701 4.5702 4.5703 4.5703 5.4117 5.4117 5.4157 5.4157 15.3916 15.3917 15.3938 15.3940 15.7281 15.7284 15.7290 15.7292 17.9436 17.9441 k =-0.4293 0.4152 0.5488 ( 2718 PWs) bands (ev): -14.5007 -14.5007 -14.5005 -14.5005 -13.2922 -13.2922 -13.2921 -13.2921 -12.3248 -12.3247 -12.3247 -12.3247 -3.3573 -3.3572 -3.3569 -3.3569 -1.6826 -1.6824 -1.6815 -1.6814 0.1391 0.1393 0.1419 0.1421 0.1582 0.1584 0.1589 0.1591 0.9253 0.9253 0.9268 0.9268 2.8302 2.8303 2.8313 2.8313 4.4629 4.4630 4.4660 4.4661 4.5894 4.5894 4.5895 4.5896 5.4073 5.4073 5.4110 5.4110 15.3929 15.3930 15.3950 15.3951 15.7097 15.7099 15.7105 15.7107 17.9735 17.9741 k =-0.4364 0.4032 0.5488 ( 2714 PWs) bands (ev): -14.5131 -14.5130 -14.5129 -14.5129 -13.2675 -13.2675 -13.2674 -13.2674 -12.3337 -12.3337 -12.3337 -12.3337 -3.3916 -3.3916 -3.3913 -3.3913 -1.6546 -1.6545 -1.6537 -1.6535 0.1373 0.1375 0.1398 0.1400 0.1632 0.1633 0.1638 0.1639 0.9224 0.9224 0.9237 0.9238 2.8463 2.8463 2.8472 2.8473 4.4409 4.4410 4.4437 4.4438 4.6074 4.6074 4.6075 4.6076 5.4033 5.4034 5.4066 5.4067 15.3946 15.3947 15.3965 15.3966 15.6927 15.6929 15.6934 15.6936 18.0012 18.0017 k =-0.4434 0.3913 0.5488 ( 2710 PWs) bands (ev): -14.5241 -14.5241 -14.5240 -14.5239 -13.2448 -13.2447 -13.2447 -13.2446 -12.3422 -12.3422 -12.3421 -12.3421 -3.4227 -3.4226 -3.4224 -3.4223 -1.6293 -1.6291 -1.6284 -1.6282 0.1352 0.1354 0.1375 0.1377 0.1679 0.1680 0.1684 0.1685 0.9195 0.9196 0.9208 0.9208 2.8614 2.8615 2.8622 2.8623 4.4204 4.4204 4.4228 4.4229 4.6240 4.6240 4.6241 4.6241 5.3998 5.3998 5.4027 5.4027 15.3965 15.3967 15.3983 15.3984 15.6773 15.6775 15.6779 15.6781 18.0268 18.0276 k =-0.4505 0.3793 0.5488 ( 2710 PWs) bands (ev): -14.5339 -14.5339 -14.5338 -14.5337 -13.2242 -13.2242 -13.2241 -13.2241 -12.3500 -12.3500 -12.3499 -12.3499 -3.4504 -3.4503 -3.4501 -3.4500 -1.6065 -1.6064 -1.6057 -1.6055 0.1331 0.1333 0.1351 0.1353 0.1722 0.1723 0.1726 0.1727 0.9169 0.9169 0.9180 0.9181 2.8754 2.8755 2.8762 2.8762 4.4016 4.4016 4.4037 4.4038 4.6390 4.6390 4.6391 4.6391 5.3966 5.3967 5.3992 5.3992 15.3986 15.3988 15.4002 15.4003 15.6636 15.6638 15.6641 15.6643 18.0500 18.0507 k =-0.4576 0.3674 0.5488 ( 2712 PWs) bands (ev): -14.5425 -14.5424 -14.5423 -14.5423 -13.2060 -13.2059 -13.2059 -13.2059 -12.3570 -12.3570 -12.3570 -12.3570 -3.4745 -3.4745 -3.4743 -3.4743 -1.5866 -1.5864 -1.5859 -1.5857 0.1311 0.1313 0.1329 0.1330 0.1760 0.1761 0.1763 0.1765 0.9145 0.9145 0.9155 0.9155 2.8881 2.8882 2.8887 2.8888 4.3847 4.3848 4.3866 4.3866 4.6523 4.6523 4.6524 4.6524 5.3939 5.3939 5.3961 5.3961 15.4008 15.4009 15.4022 15.4023 15.6515 15.6517 15.6520 15.6522 18.0708 18.0711 k =-0.4646 0.3554 0.5488 ( 2716 PWs) bands (ev): -14.5497 -14.5497 -14.5495 -14.5495 -13.1902 -13.1902 -13.1901 -13.1901 -12.3633 -12.3633 -12.3632 -12.3632 -3.4951 -3.4951 -3.4950 -3.4949 -1.5695 -1.5694 -1.5689 -1.5687 0.1293 0.1294 0.1307 0.1309 0.1793 0.1794 0.1796 0.1797 0.9123 0.9124 0.9132 0.9132 2.8993 2.8994 2.8998 2.8999 4.3701 4.3701 4.3716 4.3717 4.6638 4.6638 4.6639 4.6639 5.3916 5.3916 5.3934 5.3934 15.4029 15.4030 15.4040 15.4042 15.6413 15.6415 15.6417 15.6419 18.0885 18.0890 k =-0.4717 0.3434 0.5488 ( 2720 PWs) bands (ev): -14.5556 -14.5556 -14.5554 -14.5554 -13.1771 -13.1771 -13.1770 -13.1770 -12.3685 -12.3685 -12.3685 -12.3685 -3.5121 -3.5120 -3.5120 -3.5119 -1.5554 -1.5553 -1.5550 -1.5548 0.1277 0.1278 0.1289 0.1290 0.1820 0.1821 0.1822 0.1824 0.9105 0.9106 0.9112 0.9113 2.9087 2.9088 2.9091 2.9092 4.3578 4.3578 4.3590 4.3591 4.6733 4.6733 4.6734 4.6734 5.3897 5.3898 5.3912 5.3912 15.4048 15.4049 15.4057 15.4059 15.6328 15.6330 15.6331 15.6333 18.1034 18.1038 k =-0.4788 0.3315 0.5488 ( 2724 PWs) bands (ev): -14.5602 -14.5602 -14.5600 -14.5600 -13.1667 -13.1667 -13.1666 -13.1666 -12.3728 -12.3728 -12.3727 -12.3727 -3.5253 -3.5253 -3.5252 -3.5252 -1.5444 -1.5442 -1.5440 -1.5438 0.1264 0.1266 0.1273 0.1275 0.1842 0.1843 0.1843 0.1845 0.9091 0.9092 0.9096 0.9097 2.9163 2.9163 2.9166 2.9166 4.3480 4.3481 4.3489 4.3490 4.6808 4.6808 4.6809 4.6809 5.3883 5.3883 5.3894 5.3894 15.4064 15.4066 15.4071 15.4073 15.6262 15.6264 15.6264 15.6267 18.1150 18.1154 k =-0.4859 0.3195 0.5488 ( 2720 PWs) bands (ev): -14.5635 -14.5635 -14.5633 -14.5633 -13.1592 -13.1592 -13.1592 -13.1591 -12.3759 -12.3759 -12.3758 -12.3758 -3.5348 -3.5348 -3.5348 -3.5347 -1.5364 -1.5362 -1.5362 -1.5360 0.1255 0.1257 0.1262 0.1263 0.1857 0.1858 0.1859 0.1860 0.9081 0.9081 0.9084 0.9085 2.9218 2.9218 2.9220 2.9221 4.3410 4.3411 4.3416 4.3417 4.6862 4.6862 4.6863 4.6863 5.3874 5.3874 5.3881 5.3881 15.4077 15.4078 15.4082 15.4083 15.6215 15.6217 15.6217 15.6219 18.1235 18.1237 k =-0.4929 0.3076 0.5488 ( 2728 PWs) bands (ev): -14.5655 -14.5655 -14.5653 -14.5653 -13.1547 -13.1547 -13.1546 -13.1546 -12.3777 -12.3777 -12.3777 -12.3777 -3.5405 -3.5405 -3.5405 -3.5404 -1.5316 -1.5315 -1.5314 -1.5313 0.1251 0.1252 0.1254 0.1255 0.1867 0.1867 0.1868 0.1869 0.9075 0.9076 0.9077 0.9077 2.9251 2.9252 2.9252 2.9253 4.3368 4.3369 4.3371 4.3372 4.6894 4.6894 4.6896 4.6896 5.3868 5.3869 5.3872 5.3872 15.4085 15.4087 15.4088 15.4089 15.6187 15.6187 15.6189 15.6190 18.1286 18.1287 k =-0.5000 0.2956 0.5488 ( 2732 PWs) bands (ev): -14.5661 -14.5661 -14.5659 -14.5659 -13.1532 -13.1532 -13.1531 -13.1531 -12.3784 -12.3784 -12.3783 -12.3783 -3.5424 -3.5424 -3.5424 -3.5424 -1.5299 -1.5299 -1.5298 -1.5298 0.1250 0.1250 0.1251 0.1251 0.1870 0.1870 0.1872 0.1872 0.9074 0.9074 0.9074 0.9074 2.9263 2.9263 2.9264 2.9264 4.3355 4.3355 4.3356 4.3356 4.6905 4.6905 4.6907 4.6907 5.3868 5.3868 5.3868 5.3868 15.4089 15.4089 15.4090 15.4090 15.6177 15.6177 15.6180 15.6180 18.1303 18.1304 k =-0.5000 0.2956 0.5488 ( 2732 PWs) bands (ev): -14.5661 -14.5661 -14.5659 -14.5659 -13.1532 -13.1532 -13.1531 -13.1531 -12.3784 -12.3784 -12.3783 -12.3783 -3.5424 -3.5424 -3.5424 -3.5424 -1.5299 -1.5299 -1.5298 -1.5298 0.1250 0.1250 0.1251 0.1251 0.1870 0.1870 0.1872 0.1872 0.9074 0.9074 0.9074 0.9074 2.9263 2.9263 2.9264 2.9264 4.3355 4.3355 4.3356 4.3356 4.6905 4.6905 4.6907 4.6907 5.3868 5.3868 5.3868 5.3868 15.4089 15.4089 15.4090 15.4090 15.6177 15.6177 15.6180 15.6180 18.1303 18.1304 k =-0.5000 0.2956 0.5348 ( 2726 PWs) bands (ev): -14.6190 -14.6190 -14.5123 -14.5123 -13.1641 -13.1641 -13.1432 -13.1432 -12.3833 -12.3833 -12.3723 -12.3723 -3.5416 -3.5416 -3.5411 -3.5411 -1.5843 -1.5843 -1.4789 -1.4789 0.0571 0.0571 0.1717 0.1717 0.1870 0.1870 0.2013 0.2013 0.8892 0.8892 0.9344 0.9344 2.9097 2.9097 2.9405 2.9405 4.3110 4.3110 4.3600 4.3600 4.6829 4.6829 4.6995 4.6995 5.3840 5.3840 5.3897 5.3897 15.4011 15.4011 15.4156 15.4156 15.6146 15.6146 15.6261 15.6261 18.1261 18.1274 k =-0.5000 0.2956 0.5207 ( 2726 PWs) bands (ev): -14.6711 -14.6711 -14.4580 -14.4580 -13.1761 -13.1761 -13.1343 -13.1343 -12.3873 -12.3873 -12.3652 -12.3652 -3.5388 -3.5388 -3.5376 -3.5376 -1.6422 -1.6422 -1.4311 -1.4311 -0.0136 -0.0136 0.1551 0.1551 0.2121 0.2121 0.2414 0.2414 0.8831 0.8831 0.9676 0.9676 2.8906 2.8906 2.9521 2.9521 4.2864 4.2864 4.3843 4.3843 4.6766 4.6766 4.7096 4.7096 5.3813 5.3813 5.3927 5.3927 15.3921 15.3921 15.4210 15.4210 15.6163 15.6163 15.6392 15.6392 18.0804 18.0804 k =-0.5000 0.2956 0.5066 ( 2732 PWs) bands (ev): -14.7223 -14.7223 -14.4030 -14.4030 -13.1890 -13.1890 -13.1265 -13.1265 -12.3904 -12.3904 -12.3570 -12.3570 -3.5338 -3.5338 -3.5321 -3.5321 -1.7039 -1.7039 -1.3864 -1.3864 -0.0848 -0.0848 0.1368 0.1368 0.2228 0.2228 0.2812 0.2812 0.8927 0.8927 1.0052 1.0052 2.8689 2.8689 2.9614 2.9614 4.2618 4.2618 4.4086 4.4086 4.6717 4.6717 4.7208 4.7208 5.3784 5.3784 5.3960 5.3960 15.3822 15.3822 15.4250 15.4250 15.6231 15.6231 15.6570 15.6570 18.0083 18.0083 k =-0.5000 0.2956 0.4925 ( 2732 PWs) bands (ev): -14.7727 -14.7727 -14.3474 -14.3474 -13.2026 -13.2026 -13.1198 -13.1198 -12.3925 -12.3925 -12.3477 -12.3477 -3.5268 -3.5268 -3.5245 -3.5245 -1.7693 -1.7693 -1.3445 -1.3445 -0.1551 -0.1551 0.1169 0.1169 0.2317 0.2317 0.3052 0.3052 0.9203 0.9203 1.0459 1.0459 2.8449 2.8449 2.9685 2.9685 4.2371 4.2371 4.4328 4.4328 4.6683 4.6683 4.7330 4.7330 5.3753 5.3753 5.3995 5.3995 15.3715 15.3715 15.4275 15.4275 15.6349 15.6349 15.6793 15.6793 17.9329 17.9329 k =-0.5000 0.2956 0.4785 ( 2728 PWs) bands (ev): -14.8220 -14.8220 -14.2914 -14.2914 -13.2170 -13.2170 -13.1142 -13.1142 -12.3938 -12.3938 -12.3374 -12.3374 -3.5177 -3.5177 -3.5149 -3.5149 -1.8384 -1.8384 -1.3053 -1.3053 -0.2235 -0.2235 0.0953 0.0953 0.2389 0.2389 0.3132 0.3132 0.9656 0.9656 1.0890 1.0890 2.8185 2.8185 2.9736 2.9736 4.2125 4.2125 4.4568 4.4568 4.6664 4.6664 4.7461 4.7461 5.3719 5.3719 5.4033 5.4033 15.3602 15.3602 15.4286 15.4286 15.6516 15.6516 15.7060 15.7060 17.8548 17.8548 k =-0.5000 0.2956 0.4644 ( 2728 PWs) bands (ev): -14.8704 -14.8704 -14.2349 -14.2349 -13.2320 -13.2320 -13.1098 -13.1098 -12.3943 -12.3943 -12.3261 -12.3261 -3.5066 -3.5066 -3.5031 -3.5031 -1.9111 -1.9111 -1.2684 -1.2684 -0.2893 -0.2893 0.0720 0.0720 0.2444 0.2444 0.3077 0.3077 1.0256 1.0256 1.1337 1.1337 2.7901 2.7901 2.9770 2.9770 4.1878 4.1878 4.4807 4.4807 4.6662 4.6662 4.7600 4.7600 5.3679 5.3679 5.4074 5.4074 15.3485 15.3485 15.4282 15.4282 15.6732 15.6732 15.7366 15.7366 17.7746 17.7746 k =-0.5000 0.2956 0.4503 ( 2724 PWs) bands (ev): -14.9176 -14.9176 -14.1781 -14.1781 -13.2476 -13.2476 -13.1064 -13.1064 -12.3941 -12.3941 -12.3138 -12.3138 -3.4935 -3.4935 -3.4894 -3.4894 -1.9873 -1.9873 -1.2339 -1.2339 -0.3519 -0.3519 0.0470 0.0470 0.2481 0.2481 0.2922 0.2922 1.0964 1.0964 1.1797 1.1797 2.7598 2.7598 2.9787 2.9787 4.1632 4.1632 4.5044 4.5044 4.6677 4.6677 4.7748 4.7748 5.3634 5.3634 5.4117 5.4117 15.3366 15.3366 15.4263 15.4263 15.6995 15.6995 15.7710 15.7710 17.6927 17.6927 k =-0.5000 0.2956 0.4363 ( 2724 PWs) bands (ev): -14.9638 -14.9638 -14.1211 -14.1211 -13.2635 -13.2635 -13.1039 -13.1039 -12.3933 -12.3933 -12.3006 -12.3006 -3.4784 -3.4784 -3.4736 -3.4736 -2.0667 -2.0667 -1.2014 -1.2014 -0.4113 -0.4113 0.0202 0.0202 0.2499 0.2499 0.2699 0.2699 1.1743 1.1743 1.2267 1.2267 2.7278 2.7278 2.9792 2.9792 4.1387 4.1387 4.5279 4.5279 4.6710 4.6710 4.7901 4.7901 5.3580 5.3580 5.4162 5.4162 15.3247 15.3247 15.4229 15.4229 15.7304 15.7304 15.8087 15.8087 17.6095 17.6095 k =-0.5000 0.2956 0.4222 ( 2720 PWs) bands (ev): -15.0089 -15.0089 -14.0639 -14.0639 -13.2799 -13.2799 -13.1025 -13.1025 -12.3920 -12.3920 -12.2867 -12.2867 -3.4613 -3.4613 -3.4559 -3.4558 -2.1490 -2.1490 -1.1708 -1.1708 -0.4672 -0.4672 -0.0084 -0.0084 0.2424 0.2424 0.2506 0.2506 1.2560 1.2560 1.2750 1.2750 2.6945 2.6945 2.9787 2.9787 4.1143 4.1143 4.5512 4.5512 4.6760 4.6760 4.8061 4.8061 5.3518 5.3518 5.4209 5.4209 15.3131 15.3131 15.4182 15.4182 15.7657 15.7657 15.8492 15.8492 17.5253 17.5253 k =-0.5000 0.2956 0.4081 ( 2720 PWs) bands (ev): -15.0527 -15.0527 -14.0067 -14.0067 -13.2964 -13.2964 -13.1020 -13.1020 -12.3902 -12.3902 -12.2721 -12.2721 -3.4422 -3.4422 -3.4362 -3.4362 -2.2338 -2.2338 -1.1420 -1.1420 -0.5196 -0.5196 -0.0390 -0.0390 0.2133 0.2133 0.2481 0.2481 1.3202 1.3202 1.3437 1.3437 2.6601 2.6601 2.9775 2.9775 4.0900 4.0900 4.5743 4.5743 4.6829 4.6829 4.8225 4.8225 5.3445 5.3445 5.4257 5.4257 15.3019 15.3019 15.4121 15.4121 15.8051 15.8051 15.8920 15.8920 17.4405 17.4405 k =-0.5000 0.2956 0.3940 ( 2726 PWs) bands (ev): -15.0954 -15.0954 -13.9495 -13.9495 -13.3131 -13.3131 -13.1022 -13.1022 -12.3880 -12.3880 -12.2569 -12.2569 -3.4212 -3.4212 -3.4146 -3.4146 -2.3207 -2.3207 -1.1148 -1.1148 -0.5687 -0.5687 -0.0714 -0.0714 0.1821 0.1821 0.2438 0.2438 1.3688 1.3688 1.4291 1.4291 2.6249 2.6249 2.9759 2.9759 4.0660 4.0660 4.5970 4.5970 4.6918 4.6918 4.8394 4.8394 5.3362 5.3362 5.4306 5.4306 15.2913 15.2913 15.4048 15.4048 15.8485 15.8485 15.9366 15.9366 17.3553 17.3553 k =-0.5000 0.2956 0.3800 ( 2726 PWs) bands (ev): -15.1368 -15.1368 -13.8925 -13.8925 -13.3299 -13.3299 -13.1032 -13.1032 -12.3855 -12.3855 -12.2411 -12.2411 -3.3984 -3.3984 -3.3911 -3.3911 -2.4093 -2.4093 -1.0892 -1.0892 -0.6144 -0.6144 -0.1058 -0.1058 0.1501 0.1501 0.2373 0.2373 1.4167 1.4167 1.5150 1.5150 2.5892 2.5893 2.9741 2.9741 4.0422 4.0422 4.6194 4.6194 4.7025 4.7025 4.8566 4.8566 5.3266 5.3266 5.4355 5.4355 15.2817 15.2817 15.3964 15.3964 15.8956 15.8956 15.9824 15.9824 17.2700 17.2700 k =-0.5000 0.2956 0.3659 ( 2720 PWs) bands (ev): -15.1770 -15.1770 -13.8357 -13.8357 -13.3467 -13.3467 -13.1049 -13.1049 -12.3826 -12.3826 -12.2250 -12.2250 -3.3737 -3.3737 -3.3659 -3.3659 -2.4991 -2.4991 -1.0651 -1.0651 -0.6571 -0.6571 -0.1422 -0.1422 0.1177 0.1177 0.2285 0.2285 1.4644 1.4644 1.6001 1.6001 2.5535 2.5535 2.9725 2.9725 4.0188 4.0188 4.6415 4.6415 4.7151 4.7151 4.8740 4.8740 5.3157 5.3157 5.4403 5.4403 15.2732 15.2732 15.3869 15.3869 15.9460 15.9460 16.0286 16.0286 17.1849 17.1849 k =-0.5000 0.2956 0.3518 ( 2728 PWs) bands (ev): -15.2158 -15.2158 -13.7793 -13.7793 -13.3634 -13.3634 -13.1072 -13.1072 -12.3796 -12.3796 -12.2085 -12.2085 -3.3473 -3.3473 -3.3390 -3.3390 -2.5897 -2.5897 -1.0423 -1.0423 -0.6968 -0.6968 -0.1805 -0.1805 0.0853 0.0853 0.2173 0.2173 1.5117 1.5117 1.6836 1.6836 2.5180 2.5180 2.9712 2.9712 3.9957 3.9957 4.6631 4.6631 4.7296 4.7296 4.8917 4.8917 5.3035 5.3035 5.4451 5.4451 15.2660 15.2660 15.3766 15.3766 15.9994 15.9994 16.0746 16.0746 17.1003 17.1003 k =-0.5000 0.2956 0.3377 ( 2724 PWs) bands (ev): -15.2533 -15.2533 -13.7234 -13.7234 -13.3800 -13.3800 -13.1099 -13.1099 -12.3764 -12.3764 -12.1919 -12.1919 -3.3191 -3.3191 -3.3104 -3.3104 -2.6806 -2.6806 -1.0208 -1.0208 -0.7338 -0.7338 -0.2208 -0.2208 0.0534 0.0534 0.2036 0.2036 1.5585 1.5585 1.7651 1.7651 2.4830 2.4830 2.9705 2.9705 3.9730 3.9730 4.6842 4.6842 4.7460 4.7460 4.9094 4.9094 5.2900 5.2900 5.4497 5.4497 15.2605 15.2605 15.3655 15.3655 16.0555 16.0555 16.1195 16.1195 17.0164 17.0164 k =-0.5000 0.2956 0.3237 ( 2728 PWs) bands (ev): -15.2895 -15.2895 -13.6681 -13.6681 -13.3963 -13.3963 -13.1131 -13.1131 -12.3730 -12.3730 -12.1752 -12.1752 -3.2892 -3.2892 -3.2802 -3.2802 -2.7714 -2.7714 -1.0005 -1.0005 -0.7682 -0.7682 -0.2629 -0.2629 0.0220 0.0220 0.1873 0.1873 1.6047 1.6047 1.8441 1.8441 2.4489 2.4489 2.9706 2.9706 3.9507 3.9507 4.7048 4.7048 4.7642 4.7642 4.9271 4.9271 5.2751 5.2751 5.4540 5.4540 15.2566 15.2566 15.3537 15.3537 16.1140 16.1140 16.1627 16.1627 16.9335 16.9335 k =-0.5000 0.2956 0.3096 ( 2728 PWs) bands (ev): -15.3242 -15.3242 -13.6136 -13.6136 -13.4123 -13.4123 -13.1167 -13.1167 -12.3696 -12.3696 -12.1585 -12.1585 -3.2577 -3.2577 -3.2486 -3.2486 -2.8616 -2.8616 -0.9815 -0.9815 -0.8003 -0.8003 -0.3069 -0.3069 -0.0087 -0.0087 0.1684 0.1684 1.6500 1.6500 1.9203 1.9203 2.4158 2.4158 2.9716 2.9716 3.9290 3.9290 4.7249 4.7249 4.7841 4.7841 4.9447 4.9447 5.2589 5.2589 5.4583 5.4583 15.2548 15.2548 15.3415 15.3415 16.1743 16.1743 16.2035 16.2035 16.8517 16.8517 k =-0.5000 0.2956 0.2955 ( 2728 PWs) bands (ev): -15.3576 -15.3576 -13.5600 -13.5600 -13.4279 -13.4279 -13.1205 -13.1205 -12.3661 -12.3661 -12.1419 -12.1419 -3.2247 -3.2247 -3.2156 -3.2156 -2.9508 -2.9508 -0.9635 -0.9635 -0.8300 -0.8300 -0.3526 -0.3526 -0.0384 -0.0384 0.1470 0.1470 1.6945 1.6945 1.9932 1.9932 2.3842 2.3842 2.9737 2.9737 3.9078 3.9078 4.7443 4.7443 4.8055 4.8055 4.9622 4.9622 5.2415 5.2415 5.4622 5.4622 15.2551 15.2551 15.3290 15.3290 16.2360 16.2360 16.2413 16.2413 16.7714 16.7714 k =-0.5000 0.2956 0.2815 ( 2728 PWs) bands (ev): -15.3895 -15.3895 -13.5074 -13.5074 -13.4432 -13.4432 -13.1246 -13.1246 -12.3626 -12.3626 -12.1254 -12.1254 -3.1903 -3.1902 -3.1814 -3.1814 -3.0387 -3.0387 -0.9466 -0.9466 -0.8577 -0.8577 -0.4000 -0.4000 -0.0672 -0.0672 0.1230 0.1230 1.7379 1.7379 2.0628 2.0628 2.3541 2.3541 2.9770 2.9770 3.8872 3.8872 4.7630 4.7630 4.8284 4.8284 4.9795 4.9795 5.2228 5.2228 5.4659 5.4659 15.2577 15.2577 15.3162 15.3162 16.2752 16.2752 16.2992 16.2992 16.6928 16.6928 k =-0.5000 0.2956 0.2674 ( 2726 PWs) bands (ev): -15.4200 -15.4200 -13.4580 -13.4580 -13.4559 -13.4559 -13.1288 -13.1288 -12.3592 -12.3592 -12.1093 -12.1093 -3.1545 -3.1545 -3.1462 -3.1462 -3.1248 -3.1248 -0.9307 -0.9307 -0.8834 -0.8834 -0.4489 -0.4489 -0.0949 -0.0949 0.0966 0.0966 1.7802 1.7802 2.1288 2.1288 2.3258 2.3258 2.9815 2.9815 3.8673 3.8673 4.7809 4.7809 4.8526 4.8526 4.9964 4.9964 5.2031 5.2031 5.4692 5.4692 15.2627 15.2627 15.3034 15.3034 16.3052 16.3052 16.3627 16.3627 16.6161 16.6161 k =-0.5000 0.2956 0.2533 ( 2718 PWs) bands (ev): -15.4491 -15.4491 -13.4723 -13.4723 -13.4058 -13.4058 -13.1331 -13.1331 -12.3558 -12.3558 -12.0935 -12.0935 -3.2089 -3.2089 -3.1173 -3.1173 -3.1099 -3.1099 -0.9159 -0.9159 -0.9073 -0.9073 -0.4991 -0.4991 -0.1215 -0.1215 0.0679 0.0679 1.8212 1.8212 2.1911 2.1911 2.2995 2.2995 2.9872 2.9872 3.8481 3.8481 4.7981 4.7981 4.8779 4.8779 5.0130 5.0130 5.1825 5.1825 5.4723 5.4723 15.2704 15.2704 15.2906 15.2906 16.3310 16.3310 16.4264 16.4264 16.5416 16.5416 k =-0.5000 0.2956 0.2392 ( 2718 PWs) bands (ev): -15.4766 -15.4766 -13.4860 -13.4860 -13.3572 -13.3572 -13.1375 -13.1375 -12.3525 -12.3525 -12.0781 -12.0781 -3.2905 -3.2905 -3.0791 -3.0791 -3.0730 -3.0730 -0.9295 -0.9295 -0.9020 -0.9020 -0.5505 -0.5505 -0.1468 -0.1468 0.0370 0.0370 1.8608 1.8608 2.2482 2.2482 2.2765 2.2765 2.9942 2.9942 3.8297 3.8297 4.8144 4.8144 4.9040 4.9040 5.0292 5.0292 5.1611 5.1611 5.4751 5.4751 15.2777 15.2777 15.2811 15.2811 16.3526 16.3526 16.4691 16.4691 16.4899 16.4899 k =-0.5000 0.2956 0.2252 ( 2720 PWs) bands (ev): -15.5027 -15.5027 -13.4992 -13.4992 -13.3102 -13.3102 -13.1419 -13.1419 -12.3493 -12.3493 -12.0632 -12.0632 -3.3694 -3.3694 -3.0400 -3.0400 -3.0354 -3.0354 -0.9501 -0.9501 -0.8891 -0.8891 -0.6028 -0.6028 -0.1709 -0.1709 0.0043 0.0043 1.8989 1.8989 2.2510 2.2510 2.3060 2.3060 3.0023 3.0023 3.8120 3.8120 4.8297 4.8297 4.9308 4.9308 5.0448 5.0448 5.1392 5.1392 5.4776 5.4776 15.2657 15.2657 15.2939 15.2939 16.3699 16.3699 16.3996 16.3996 16.5522 16.5522 k =-0.5000 0.2956 0.2111 ( 2720 PWs) bands (ev): -15.5273 -15.5273 -13.5117 -13.5117 -13.2650 -13.2650 -13.1462 -13.1462 -12.3462 -12.3462 -12.0489 -12.0489 -3.4451 -3.4451 -3.0001 -3.0000 -2.9975 -2.9974 -0.9691 -0.9691 -0.8770 -0.8770 -0.6558 -0.6558 -0.1937 -0.1937 -0.0300 -0.0300 1.9353 1.9353 2.2311 2.2311 2.3566 2.3566 3.0115 3.0115 3.7951 3.7951 4.8439 4.8439 4.9578 4.9578 5.0598 5.0598 5.1171 5.1171 5.4798 5.4798 15.2540 15.2540 15.3098 15.3098 16.3326 16.3326 16.3834 16.3834 16.6134 16.6134 k =-0.5000 0.2956 0.1970 ( 2716 PWs) bands (ev): -15.5503 -15.5503 -13.5236 -13.5236 -13.2218 -13.2218 -13.1504 -13.1504 -12.3432 -12.3432 -12.0353 -12.0353 -3.5175 -3.5175 -2.9602 -2.9601 -2.9588 -2.9587 -0.9866 -0.9866 -0.8659 -0.8659 -0.7092 -0.7092 -0.2152 -0.2152 -0.0656 -0.0656 1.9700 1.9700 2.2128 2.2128 2.4037 2.4037 3.0217 3.0217 3.7791 3.7791 4.8569 4.8569 4.9849 4.9849 5.0739 5.0739 5.0953 5.0953 5.4818 5.4818 15.2427 15.2427 15.3287 15.3287 16.2686 16.2686 16.3933 16.3933 16.6727 16.6727 k =-0.5000 0.2956 0.1829 ( 2716 PWs) bands (ev): -15.5718 -15.5718 -13.5347 -13.5347 -13.1806 -13.1806 -13.1545 -13.1545 -12.3404 -12.3404 -12.0223 -12.0223 -3.5862 -3.5862 -2.9220 -2.9219 -2.9181 -2.9181 -1.0027 -1.0027 -0.8557 -0.8557 -0.7627 -0.7627 -0.2352 -0.2352 -0.1021 -0.1021 2.0028 2.0028 2.1964 2.1964 2.4471 2.4471 3.0326 3.0326 3.7640 3.7640 4.8685 4.8685 5.0118 5.0118 5.0722 5.0722 5.0890 5.0890 5.4835 5.4835 15.2322 15.2322 15.3503 15.3503 16.2078 16.2078 16.4000 16.4000 16.7296 16.7296 k =-0.5000 0.2956 0.1689 ( 2720 PWs) bands (ev): -15.5917 -15.5917 -13.5452 -13.5452 -13.1584 -13.1584 -13.1417 -13.1417 -12.3377 -12.3377 -12.0101 -12.0101 -3.6510 -3.6510 -2.8846 -2.8845 -2.8769 -2.8769 -1.0174 -1.0174 -0.8463 -0.8463 -0.8158 -0.8158 -0.2539 -0.2539 -0.1390 -0.1390 2.0337 2.0337 2.1819 2.1819 2.4869 2.4869 3.0442 3.0442 3.7499 3.7499 4.8783 4.8783 5.0377 5.0377 5.0523 5.0523 5.1015 5.1015 5.4849 5.4849 15.2223 15.2223 15.3747 15.3747 16.1503 16.1503 16.4041 16.4041 16.7839 16.7839 k =-0.5000 0.2956 0.1548 ( 2716 PWs) bands (ev): -15.6101 -15.6101 -13.5549 -13.5549 -13.1621 -13.1621 -13.1053 -13.1053 -12.3353 -12.3353 -11.9986 -11.9986 -3.7117 -3.7117 -2.8480 -2.8480 -2.8359 -2.8359 -1.0308 -1.0308 -0.8684 -0.8684 -0.8377 -0.8377 -0.2711 -0.2711 -0.1758 -0.1758 2.0624 2.0624 2.1692 2.1692 2.5231 2.5231 3.0562 3.0562 3.7367 3.7367 4.8859 4.8859 5.0323 5.0323 5.0640 5.0640 5.1137 5.1137 5.4861 5.4861 15.2132 15.2132 15.4016 15.4016 16.0965 16.0965 16.4061 16.4061 16.8349 16.8349 k =-0.5000 0.2956 0.1407 ( 2716 PWs) bands (ev): -15.6270 -15.6270 -13.5638 -13.5638 -13.1656 -13.1656 -13.0714 -13.0714 -12.3330 -12.3330 -11.9880 -11.9880 -3.7679 -3.7679 -2.8125 -2.8125 -2.7953 -2.7953 -1.0430 -1.0430 -0.9198 -0.9198 -0.8299 -0.8299 -0.2869 -0.2869 -0.2122 -0.2122 2.0888 2.0888 2.1583 2.1583 2.5557 2.5557 3.0684 3.0684 3.7245 3.7245 4.8908 4.8908 5.0158 5.0158 5.0881 5.0881 5.1251 5.1251 5.4871 5.4871 15.2050 15.2050 15.4310 15.4310 16.0463 16.0463 16.4063 16.4063 16.8824 16.8824 k =-0.5000 0.2956 0.1267 ( 2712 PWs) bands (ev): -15.6422 -15.6422 -13.5720 -13.5720 -13.1689 -13.1689 -13.0403 -13.0403 -12.3309 -12.3309 -11.9783 -11.9783 -3.8194 -3.8194 -2.7786 -2.7786 -2.7557 -2.7557 -1.0539 -1.0539 -0.9695 -0.9695 -0.8230 -0.8230 -0.3013 -0.3013 -0.2474 -0.2474 2.1126 2.1126 2.1493 2.1493 2.5849 2.5849 3.0806 3.0806 3.7134 3.7134 4.8921 4.8921 5.0027 5.0027 5.1107 5.1107 5.1359 5.1359 5.4880 5.4880 15.1977 15.1977 15.4625 15.4625 16.0002 16.0002 16.4052 16.4052 16.9260 16.9260 k =-0.5000 0.2956 0.1126 ( 2712 PWs) bands (ev): -15.6559 -15.6559 -13.5793 -13.5793 -13.1719 -13.1719 -13.0120 -13.0120 -12.3290 -12.3290 -11.9695 -11.9695 -3.8662 -3.8662 -2.7466 -2.7466 -2.7175 -2.7175 -1.0638 -1.0638 -1.0169 -1.0169 -0.8169 -0.8169 -0.3143 -0.3143 -0.2809 -0.2809 2.1308 2.1308 2.1450 2.1450 2.6107 2.6107 3.0924 3.0924 3.7034 3.7034 4.8894 4.8894 4.9937 4.9937 5.1309 5.1309 5.1465 5.1465 5.4887 5.4887 15.1913 15.1913 15.4957 15.4957 15.9581 15.9581 16.4032 16.4032 16.8980 16.8980 k =-0.5000 0.2956 0.0985 ( 2718 PWs) bands (ev): -15.6680 -15.6680 -13.5858 -13.5858 -13.1745 -13.1745 -12.9867 -12.9867 -12.3274 -12.3274 -11.9617 -11.9617 -3.9079 -3.9079 -2.7169 -2.7169 -2.6812 -2.6812 -1.0732 -1.0732 -1.0607 -1.0607 -0.8115 -0.8115 -0.3264 -0.3264 -0.3117 -0.3117 2.1309 2.1309 2.1576 2.1576 2.6332 2.6332 3.1037 3.1037 3.6945 3.6945 4.8831 4.8831 4.9889 4.9889 5.1467 5.1467 5.1586 5.1586 5.4892 5.4892 15.1857 15.1857 15.5300 15.5300 15.9205 15.9205 16.4006 16.4006 16.8260 16.8260 k =-0.5000 0.2956 0.0844 ( 2726 PWs) bands (ev): -15.6784 -15.6784 -13.5915 -13.5915 -13.1769 -13.1769 -12.9645 -12.9645 -12.3259 -12.3259 -11.9549 -11.9549 -3.9444 -3.9444 -2.6901 -2.6901 -2.6476 -2.6476 -1.1037 -1.1037 -1.0787 -1.0787 -0.8068 -0.8068 -0.3437 -0.3437 -0.3330 -0.3330 2.1261 2.1261 2.1739 2.1739 2.6526 2.6526 3.1141 3.1141 3.6867 3.6867 4.8744 4.8744 4.9873 4.9873 5.1569 5.1569 5.1732 5.1732 5.4896 5.4896 15.1811 15.1811 15.5646 15.5646 15.8873 15.8873 16.3978 16.3978 16.7583 16.7583 k =-0.5000 0.2956 0.0704 ( 2722 PWs) bands (ev): -15.6873 -15.6873 -13.5964 -13.5964 -13.1789 -13.1789 -12.9455 -12.9455 -12.3247 -12.3247 -11.9490 -11.9490 -3.9755 -3.9755 -2.6664 -2.6664 -2.6172 -2.6172 -1.1402 -1.1402 -1.0852 -1.0852 -0.8029 -0.8029 -0.3679 -0.3679 -0.3425 -0.3425 2.1217 2.1217 2.1883 2.1883 2.6688 2.6688 3.1235 3.1235 3.6801 3.6801 4.8648 4.8648 4.9875 4.9875 5.1640 5.1640 5.1874 5.1874 5.4900 5.4900 15.1772 15.1772 15.5984 15.5984 15.8589 15.8589 16.3950 16.3950 16.6962 16.6962 k =-0.5000 0.2956 0.0563 ( 2724 PWs) bands (ev): -15.6946 -15.6946 -13.6003 -13.6003 -13.1805 -13.1805 -12.9299 -12.9299 -12.3236 -12.3236 -11.9442 -11.9442 -4.0012 -4.0012 -2.6464 -2.6464 -2.5909 -2.5909 -1.1718 -1.1718 -1.0903 -1.0903 -0.7998 -0.7998 -0.3893 -0.3893 -0.3496 -0.3496 2.1182 2.1182 2.2002 2.2002 2.6820 2.6820 3.1315 3.1315 3.6746 3.6746 4.8557 4.8557 4.9886 4.9886 5.1696 5.1696 5.1996 5.1996 5.4902 5.4902 15.1742 15.1742 15.6302 15.6302 15.8354 15.8354 16.3925 16.3925 16.6411 16.6411 k =-0.5000 0.2956 0.0422 ( 2720 PWs) bands (ev): -15.7002 -15.7002 -13.6034 -13.6034 -13.1818 -13.1818 -12.9176 -12.9176 -12.3228 -12.3228 -11.9405 -11.9405 -4.0212 -4.0212 -2.6304 -2.6304 -2.5694 -2.5693 -1.1975 -1.1975 -1.0942 -1.0942 -0.7973 -0.7973 -0.4066 -0.4066 -0.3550 -0.3550 2.1155 2.1155 2.2096 2.2096 2.6922 2.6922 3.1380 3.1380 3.6703 3.6703 4.8479 4.8479 4.9900 4.9900 5.1738 5.1738 5.2094 5.2094 5.4904 5.4904 15.1720 15.1720 15.6581 15.6581 15.8169 15.8169 16.3903 16.3903 16.5948 16.5948 k =-0.5000 0.2956 0.0281 ( 2720 PWs) bands (ev): -15.7043 -15.7043 -13.6056 -13.6056 -13.1828 -13.1828 -12.9088 -12.9088 -12.3223 -12.3223 -11.9378 -11.9378 -4.0356 -4.0356 -2.6187 -2.6187 -2.5534 -2.5534 -1.2166 -1.2166 -1.0970 -1.0970 -0.7956 -0.7956 -0.4193 -0.4193 -0.3588 -0.3588 2.1136 2.1136 2.2163 2.2163 2.6994 2.6994 3.1428 3.1428 3.6673 3.6673 4.8420 4.8420 4.9912 4.9912 5.1768 5.1768 5.2164 5.2164 5.4905 5.4905 15.1704 15.1704 15.6803 15.6803 15.8036 15.8036 16.3887 16.3887 16.5596 16.5596 k =-0.5000 0.2956 0.0141 ( 2722 PWs) bands (ev): -15.7067 -15.7067 -13.6069 -13.6069 -13.1833 -13.1833 -12.9035 -12.9035 -12.3219 -12.3219 -11.9362 -11.9362 -4.0443 -4.0443 -2.6115 -2.6115 -2.5435 -2.5435 -1.2282 -1.2282 -1.0987 -1.0987 -0.7945 -0.7945 -0.4270 -0.4270 -0.3611 -0.3611 2.1125 2.1125 2.2204 2.2204 2.7037 2.7037 3.1457 3.1457 3.6655 3.6655 4.8383 4.8383 4.9920 4.9920 5.1785 5.1785 5.2207 5.2207 5.4906 5.4906 15.1694 15.1694 15.6946 15.6946 15.7956 15.7956 16.3876 16.3876 16.5373 16.5373 k =-0.5000 0.2956 0.0000 ( 2722 PWs) bands (ev): -15.7075 -15.7075 -13.6074 -13.6074 -13.1835 -13.1835 -12.9018 -12.9018 -12.3218 -12.3218 -11.9356 -11.9356 -4.0472 -4.0472 -2.6091 -2.6091 -2.5402 -2.5402 -1.2322 -1.2322 -1.0993 -1.0993 -0.7942 -0.7942 -0.4296 -0.4296 -0.3619 -0.3619 2.1121 2.1121 2.2217 2.2217 2.7052 2.7052 3.1467 3.1467 3.6648 3.6648 4.8370 4.8370 4.9922 4.9922 5.1791 5.1791 5.2222 5.2222 5.4906 5.4906 15.1691 15.1691 15.6996 15.6996 15.7929 15.7929 16.3873 16.3873 16.5297 16.5297 k = 0.0000 0.0000 0.5488 ( 2726 PWs) bands (ev): -14.9717 -14.9717 -14.9715 -14.9715 -12.8627 -12.8627 -12.8626 -12.8626 -11.8923 -11.8923 -11.8923 -11.8923 -4.4339 -4.4339 -4.4338 -4.4338 -1.1745 -1.1745 -1.1744 -1.1744 -0.9620 -0.9620 -0.9618 -0.9618 0.1430 0.1430 0.1431 0.1431 1.4357 1.4357 1.4359 1.4359 3.2607 3.2607 3.2608 3.2608 4.3888 4.3888 4.3890 4.3890 5.1143 5.1143 5.1144 5.1144 5.8931 5.8931 5.8931 5.8931 14.9798 14.9798 14.9801 14.9801 16.6613 16.6613 16.6614 16.6614 17.2939 17.2939 k =-0.0122 0.0072 0.5488 ( 2722 PWs) bands (ev): -14.9712 -14.9712 -14.9710 -14.9710 -12.8630 -12.8630 -12.8629 -12.8629 -11.8931 -11.8931 -11.8930 -11.8930 -4.4328 -4.4327 -4.4326 -4.4326 -1.1777 -1.1776 -1.1764 -1.1763 -0.9595 -0.9594 -0.9581 -0.9580 0.1437 0.1437 0.1439 0.1439 1.4346 1.4347 1.4347 1.4348 3.2618 3.2619 3.2621 3.2622 4.3860 4.3860 4.3866 4.3867 5.1136 5.1137 5.1142 5.1143 5.8931 5.8931 5.8932 5.8932 14.9800 14.9801 14.9803 14.9804 16.6612 16.6613 16.6614 16.6615 17.2936 17.2938 k =-0.0244 0.0144 0.5488 ( 2722 PWs) bands (ev): -14.9698 -14.9698 -14.9696 -14.9696 -12.8638 -12.8638 -12.8637 -12.8637 -11.8954 -11.8954 -11.8953 -11.8953 -4.4292 -4.4292 -4.4291 -4.4290 -1.1854 -1.1853 -1.1830 -1.1829 -0.9512 -0.9511 -0.9485 -0.9484 0.1458 0.1458 0.1462 0.1462 1.4312 1.4313 1.4313 1.4315 3.2654 3.2655 3.2659 3.2660 4.3780 4.3781 4.3793 4.3794 5.1122 5.1122 5.1134 5.1134 5.8932 5.8932 5.8933 5.8933 14.9807 14.9809 14.9811 14.9812 16.6611 16.6612 16.6615 16.6616 17.2932 17.2934 k =-0.0366 0.0216 0.5488 ( 2716 PWs) bands (ev): -14.9675 -14.9675 -14.9673 -14.9673 -12.8652 -12.8652 -12.8651 -12.8651 -11.8992 -11.8992 -11.8991 -11.8991 -4.4234 -4.4234 -4.4232 -4.4232 -1.1966 -1.1966 -1.1934 -1.1934 -0.9377 -0.9376 -0.9341 -0.9340 0.1494 0.1494 0.1500 0.1500 1.4256 1.4257 1.4258 1.4259 3.2713 3.2714 3.2721 3.2722 4.3652 4.3652 4.3671 4.3671 5.1099 5.1100 5.1116 5.1117 5.8933 5.8933 5.8934 5.8935 14.9820 14.9822 14.9824 14.9826 16.6608 16.6609 16.6613 16.6614 17.2923 17.2927 k =-0.0488 0.0288 0.5488 ( 2720 PWs) bands (ev): -14.9642 -14.9642 -14.9641 -14.9641 -12.8671 -12.8671 -12.8670 -12.8670 -11.9045 -11.9045 -11.9044 -11.9044 -4.4153 -4.4152 -4.4150 -4.4150 -1.2104 -1.2104 -1.2066 -1.2066 -0.9203 -0.9202 -0.9159 -0.9158 0.1545 0.1545 0.1553 0.1553 1.4177 1.4179 1.4180 1.4181 3.2796 3.2796 3.2806 3.2807 4.3477 4.3478 4.3502 4.3503 5.1067 5.1068 5.1090 5.1090 5.8933 5.8934 5.8935 5.8935 14.9839 14.9841 14.9842 14.9845 16.6600 16.6601 16.6607 16.6608 17.2918 17.2922 k =-0.0610 0.0360 0.5488 ( 2720 PWs) bands (ev): -14.9601 -14.9601 -14.9599 -14.9599 -12.8696 -12.8696 -12.8695 -12.8695 -11.9112 -11.9112 -11.9112 -11.9111 -4.4049 -4.4048 -4.4046 -4.4045 -1.2259 -1.2258 -1.2218 -1.2217 -0.8997 -0.8996 -0.8948 -0.8948 0.1610 0.1610 0.1620 0.1620 1.4077 1.4078 1.4080 1.4082 3.2900 3.2900 3.2913 3.2914 4.3261 4.3261 4.3291 4.3292 5.1026 5.1027 5.1052 5.1053 5.8931 5.8932 5.8933 5.8934 14.9863 14.9866 14.9867 14.9869 16.6583 16.6584 16.6591 16.6593 17.2912 17.2919 k =-0.0732 0.0433 0.5488 ( 2724 PWs) bands (ev): -14.9550 -14.9550 -14.9549 -14.9549 -12.8726 -12.8726 -12.8725 -12.8725 -11.9194 -11.9194 -11.9193 -11.9193 -4.3922 -4.3922 -4.3919 -4.3918 -1.2424 -1.2424 -1.2381 -1.2380 -0.8767 -0.8766 -0.8715 -0.8714 0.1689 0.1690 0.1701 0.1701 1.3955 1.3956 1.3959 1.3961 3.3024 3.3024 3.3040 3.3041 4.3007 4.3007 4.3042 4.3043 5.0974 5.0975 5.1003 5.1004 5.8926 5.8926 5.8929 5.8929 14.9893 14.9896 14.9897 14.9900 16.6552 16.6553 16.6562 16.6563 17.2924 17.2929 k =-0.0854 0.0505 0.5488 ( 2734 PWs) bands (ev): -14.9491 -14.9491 -14.9489 -14.9489 -12.8762 -12.8761 -12.8760 -12.8760 -11.9289 -11.9289 -11.9288 -11.9288 -4.3774 -4.3774 -4.3771 -4.3770 -1.2596 -1.2595 -1.2551 -1.2551 -0.8517 -0.8516 -0.8463 -0.8462 0.1783 0.1783 0.1795 0.1796 1.3812 1.3813 1.3817 1.3818 3.3165 3.3166 3.3185 3.3186 4.2720 4.2721 4.2761 4.2761 5.0910 5.0911 5.0942 5.0942 5.8915 5.8916 5.8920 5.8920 14.9930 14.9932 14.9934 14.9937 16.6501 16.6503 16.6514 16.6515 17.2940 17.2946 k =-0.0976 0.0577 0.5488 ( 2746 PWs) bands (ev): -14.9423 -14.9423 -14.9421 -14.9421 -12.8802 -12.8802 -12.8801 -12.8801 -11.9397 -11.9397 -11.9396 -11.9396 -4.3605 -4.3605 -4.3601 -4.3600 -1.2771 -1.2770 -1.2726 -1.2726 -0.8251 -0.8250 -0.8195 -0.8194 0.1890 0.1890 0.1904 0.1904 1.3648 1.3649 1.3654 1.3655 3.3321 3.3322 3.3345 3.3345 4.2407 4.2408 4.2453 4.2453 5.0833 5.0834 5.0866 5.0867 5.8899 5.8899 5.8904 5.8905 14.9973 14.9975 14.9978 14.9981 16.6426 16.6427 16.6440 16.6442 17.2969 17.2976 k =-0.1098 0.0649 0.5488 ( 2746 PWs) bands (ev): -14.9347 -14.9347 -14.9345 -14.9345 -12.8849 -12.8848 -12.8847 -12.8847 -11.9518 -11.9517 -11.9517 -11.9516 -4.3416 -4.3415 -4.3411 -4.3410 -1.2947 -1.2946 -1.2902 -1.2902 -0.7970 -0.7970 -0.7914 -0.7913 0.2010 0.2010 0.2026 0.2026 1.3463 1.3464 1.3470 1.3471 3.3489 3.3489 3.3516 3.3517 4.2075 4.2076 4.2125 4.2126 5.0743 5.0744 5.0777 5.0778 5.8874 5.8874 5.8882 5.8882 15.0023 15.0025 15.0028 15.0031 16.6321 16.6322 16.6337 16.6338 17.3023 17.3034 k =-0.1220 0.0721 0.5488 ( 2734 PWs) bands (ev): -14.9262 -14.9262 -14.9260 -14.9260 -12.8900 -12.8900 -12.8899 -12.8899 -11.9649 -11.9649 -11.9648 -11.9648 -4.3207 -4.3206 -4.3202 -4.3201 -1.3123 -1.3122 -1.3078 -1.3078 -0.7678 -0.7678 -0.7621 -0.7620 0.2143 0.2144 0.2161 0.2161 1.3259 1.3260 1.3267 1.3268 3.3663 3.3664 3.3695 3.3695 4.1730 4.1731 4.1786 4.1787 5.0639 5.0640 5.0673 5.0674 5.8840 5.8841 5.8850 5.8851 15.0080 15.0082 15.0086 15.0089 16.6181 16.6182 16.6199 16.6200 17.3109 17.3114 k =-0.1341 0.0793 0.5488 ( 2726 PWs) bands (ev): -14.9169 -14.9169 -14.9167 -14.9167 -12.8957 -12.8957 -12.8956 -12.8955 -11.9792 -11.9791 -11.9790 -11.9790 -4.2979 -4.2979 -4.2974 -4.2973 -1.3297 -1.3296 -1.3253 -1.3253 -0.7375 -0.7375 -0.7318 -0.7318 0.2290 0.2290 0.2308 0.2309 1.3034 1.3036 1.3043 1.3045 3.3839 3.3839 3.3875 3.3876 4.1382 4.1383 4.1443 4.1444 5.0521 5.0522 5.0554 5.0555 5.8796 5.8796 5.8809 5.8809 15.0144 15.0146 15.0151 15.0153 16.6004 16.6005 16.6024 16.6025 17.3221 17.3224 k =-0.1463 0.0865 0.5488 ( 2720 PWs) bands (ev): -14.9069 -14.9068 -14.9067 -14.9067 -12.9019 -12.9019 -12.9018 -12.9017 -11.9943 -11.9943 -11.9942 -11.9942 -4.2734 -4.2734 -4.2728 -4.2728 -1.3468 -1.3468 -1.3425 -1.3425 -0.7064 -0.7063 -0.7006 -0.7006 0.2448 0.2449 0.2469 0.2469 1.2791 1.2792 1.2801 1.2802 3.4008 3.4009 3.4050 3.4051 4.1040 4.1041 4.1107 4.1108 5.0388 5.0388 5.0420 5.0421 5.8740 5.8740 5.8756 5.8756 15.0215 15.0218 15.0223 15.0225 16.5788 16.5789 16.5810 16.5811 17.3360 17.3364 k =-0.1585 0.0937 0.5488 ( 2724 PWs) bands (ev): -14.8961 -14.8961 -14.8959 -14.8959 -12.9086 -12.9086 -12.9085 -12.9084 -12.0104 -12.0104 -12.0103 -12.0102 -4.2473 -4.2472 -4.2467 -4.2466 -1.3636 -1.3636 -1.3594 -1.3594 -0.6744 -0.6744 -0.6687 -0.6687 0.2619 0.2620 0.2641 0.2641 1.2529 1.2530 1.2541 1.2542 3.4163 3.4164 3.4211 3.4211 4.0714 4.0715 4.0788 4.0789 5.0239 5.0240 5.0271 5.0271 5.8671 5.8671 5.8690 5.8690 15.0294 15.0297 15.0302 15.0304 16.5534 16.5535 16.5557 16.5558 17.3534 17.3538 k =-0.1707 0.1009 0.5488 ( 2724 PWs) bands (ev): -14.8846 -14.8846 -14.8844 -14.8844 -12.9158 -12.9158 -12.9157 -12.9157 -12.0272 -12.0272 -12.0271 -12.0271 -4.2197 -4.2196 -4.2190 -4.2189 -1.3800 -1.3799 -1.3759 -1.3758 -0.6418 -0.6418 -0.6362 -0.6362 0.2802 0.2803 0.2825 0.2825 1.2249 1.2250 1.2262 1.2263 3.4293 3.4293 3.4347 3.4348 4.0419 4.0420 4.0499 4.0500 5.0076 5.0077 5.0106 5.0107 5.8589 5.8589 5.8611 5.8612 15.0381 15.0383 15.0389 15.0391 16.5244 16.5245 16.5268 16.5269 17.3738 17.3740 k =-0.1829 0.1081 0.5488 ( 2734 PWs) bands (ev): -14.8724 -14.8724 -14.8723 -14.8722 -12.9236 -12.9235 -12.9234 -12.9234 -12.0447 -12.0447 -12.0446 -12.0445 -4.1907 -4.1906 -4.1900 -4.1899 -1.3958 -1.3958 -1.3918 -1.3918 -0.6088 -0.6087 -0.6032 -0.6032 0.2997 0.2997 0.3020 0.3021 1.1952 1.1953 1.1966 1.1967 3.4385 3.4385 3.4446 3.4446 4.0168 4.0169 4.0256 4.0257 4.9899 4.9900 4.9928 4.9929 5.8493 5.8493 5.8519 5.8520 15.0474 15.0477 15.0483 15.0485 16.4922 16.4922 16.4946 16.4947 17.3970 17.3973 k =-0.1951 0.1154 0.5488 ( 2732 PWs) bands (ev): -14.8597 -14.8597 -14.8595 -14.8595 -12.9318 -12.9317 -12.9316 -12.9316 -12.0627 -12.0627 -12.0626 -12.0625 -4.1604 -4.1603 -4.1597 -4.1596 -1.4111 -1.4110 -1.4071 -1.4071 -0.5754 -0.5753 -0.5699 -0.5698 0.3203 0.3203 0.3227 0.3228 1.1637 1.1639 1.1653 1.1654 3.4427 3.4427 3.4494 3.4495 3.9977 3.9978 4.0071 4.0072 4.9708 4.9708 4.9735 4.9736 5.8384 5.8384 5.8414 5.8414 15.0575 15.0577 15.0584 15.0586 16.4571 16.4571 16.4596 16.4597 17.4227 17.4229 k =-0.2073 0.1226 0.5488 ( 2730 PWs) bands (ev): -14.8463 -14.8463 -14.8461 -14.8461 -12.9404 -12.9404 -12.9403 -12.9403 -12.0811 -12.0811 -12.0810 -12.0809 -4.1291 -4.1290 -4.1283 -4.1282 -1.4256 -1.4256 -1.4218 -1.4218 -0.5417 -0.5417 -0.5363 -0.5363 0.3419 0.3420 0.3445 0.3446 1.1307 1.1308 1.1325 1.1326 3.4409 3.4409 3.4481 3.4481 3.9859 3.9860 3.9958 3.9959 4.9503 4.9504 4.9530 4.9531 5.8260 5.8261 5.8294 5.8294 15.0683 15.0685 15.0692 15.0694 16.4195 16.4196 16.4221 16.4222 17.4506 17.4507 k =-0.2195 0.1298 0.5488 ( 2730 PWs) bands (ev): -14.8325 -14.8325 -14.8323 -14.8323 -12.9496 -12.9495 -12.9494 -12.9494 -12.0998 -12.0998 -12.0997 -12.0996 -4.0968 -4.0967 -4.0960 -4.0959 -1.4395 -1.4395 -1.4358 -1.4357 -0.5080 -0.5080 -0.5027 -0.5026 0.3646 0.3647 0.3673 0.3674 1.0962 1.0963 1.0981 1.0983 3.4324 3.4324 3.4399 3.4400 3.9821 3.9822 3.9923 3.9924 4.9286 4.9287 4.9313 4.9314 5.8123 5.8123 5.8161 5.8161 15.0798 15.0800 15.0807 15.0809 16.3800 16.3801 16.3827 16.3827 17.4802 17.4809 k =-0.2317 0.1370 0.5488 ( 2730 PWs) bands (ev): -14.8181 -14.8181 -14.8180 -14.8179 -12.9592 -12.9591 -12.9590 -12.9590 -12.1187 -12.1187 -12.1186 -12.1185 -4.0638 -4.0637 -4.0630 -4.0629 -1.4526 -1.4525 -1.4490 -1.4489 -0.4744 -0.4743 -0.4691 -0.4691 0.3883 0.3883 0.3911 0.3911 1.0603 1.0604 1.0624 1.0626 3.4174 3.4174 3.4250 3.4250 3.9863 3.9865 3.9967 3.9968 4.9058 4.9059 4.9085 4.9085 5.7973 5.7973 5.8014 5.8014 15.0919 15.0921 15.0928 15.0930 16.3391 16.3391 16.3417 16.3418 17.5113 17.5124 k =-0.2439 0.1442 0.5488 ( 2738 PWs) bands (ev): -14.8034 -14.8034 -14.8032 -14.8032 -12.9692 -12.9691 -12.9690 -12.9690 -12.1377 -12.1376 -12.1375 -12.1375 -4.0302 -4.0301 -4.0293 -4.0293 -1.4648 -1.4647 -1.4613 -1.4612 -0.4409 -0.4409 -0.4358 -0.4358 0.4128 0.4128 0.4158 0.4158 1.0232 1.0233 1.0255 1.0257 3.3965 3.3965 3.4040 3.4041 3.9980 3.9981 4.0083 4.0084 4.8820 4.8821 4.8847 4.8848 5.7809 5.7809 5.7854 5.7854 15.1046 15.1047 15.1056 15.1057 16.2970 16.2971 16.2996 16.2997 17.5434 17.5437 k =-0.2561 0.1514 0.5488 ( 2742 PWs) bands (ev): -14.7884 -14.7884 -14.7882 -14.7882 -12.9795 -12.9795 -12.9794 -12.9793 -12.1565 -12.1565 -12.1564 -12.1563 -3.9962 -3.9961 -3.9953 -3.9953 -1.4761 -1.4761 -1.4727 -1.4726 -0.4079 -0.4078 -0.4029 -0.4028 0.4380 0.4380 0.4411 0.4412 0.9849 0.9850 0.9876 0.9877 3.3709 3.3709 3.3782 3.3783 4.0160 4.0161 4.0261 4.0262 4.8574 4.8574 4.8602 4.8602 5.7633 5.7633 5.7681 5.7681 15.1178 15.1180 15.1188 15.1190 16.2542 16.2543 16.2568 16.2569 17.5764 17.5778 k =-0.2683 0.1586 0.5488 ( 2746 PWs) bands (ev): -14.7731 -14.7730 -14.7729 -14.7729 -12.9903 -12.9902 -12.9901 -12.9901 -12.1752 -12.1752 -12.1751 -12.1750 -3.9620 -3.9620 -3.9611 -3.9611 -1.4865 -1.4864 -1.4832 -1.4831 -0.3753 -0.3752 -0.3704 -0.3704 0.4637 0.4637 0.4671 0.4671 0.9459 0.9460 0.9489 0.9490 3.3418 3.3419 3.3489 3.3489 4.0390 4.0391 4.0488 4.0489 4.8321 4.8322 4.8351 4.8351 5.7445 5.7446 5.7497 5.7497 15.1316 15.1317 15.1326 15.1328 16.2111 16.2112 16.2137 16.2138 17.6103 17.6119 k =-0.2805 0.1658 0.5488 ( 2742 PWs) bands (ev): -14.7576 -14.7576 -14.7574 -14.7574 -13.0013 -13.0012 -13.0011 -13.0011 -12.1936 -12.1936 -12.1934 -12.1934 -3.9278 -3.9278 -3.9269 -3.9269 -1.4959 -1.4958 -1.4927 -1.4926 -0.3432 -0.3432 -0.3385 -0.3385 0.4896 0.4896 0.4933 0.4933 0.9063 0.9064 0.9097 0.9098 3.3104 3.3105 3.3171 3.3172 4.0657 4.0658 4.0752 4.0753 4.8065 4.8066 4.8096 4.8097 5.7247 5.7247 5.7301 5.7301 15.1458 15.1460 15.1469 15.1471 16.1679 16.1680 16.1705 16.1706 17.6440 17.6456 k =-0.2927 0.1730 0.5488 ( 2738 PWs) bands (ev): -14.7420 -14.7420 -14.7418 -14.7418 -13.0126 -13.0125 -13.0124 -13.0124 -12.2115 -12.2115 -12.2114 -12.2114 -3.8939 -3.8938 -3.8930 -3.8929 -1.5043 -1.5042 -1.5011 -1.5011 -0.3119 -0.3118 -0.3073 -0.3072 0.5152 0.5152 0.5193 0.5193 0.8667 0.8668 0.8706 0.8707 3.2776 3.2777 3.2840 3.2841 4.0952 4.0953 4.1043 4.1044 4.7808 4.7809 4.7841 4.7841 5.7039 5.7039 5.7096 5.7096 15.1606 15.1607 15.1617 15.1618 16.1250 16.1250 16.1275 16.1276 17.6777 17.6801 k =-0.3049 0.1802 0.5488 ( 2734 PWs) bands (ev): -14.7264 -14.7264 -14.7262 -14.7262 -13.0240 -13.0240 -13.0239 -13.0239 -12.2290 -12.2289 -12.2288 -12.2288 -3.8603 -3.8602 -3.8594 -3.8593 -1.5116 -1.5115 -1.5086 -1.5085 -0.2812 -0.2812 -0.2768 -0.2767 0.5397 0.5397 0.5443 0.5443 0.8278 0.8279 0.8324 0.8325 3.2443 3.2444 3.2504 3.2504 4.1264 4.1265 4.1352 4.1353 4.7554 4.7554 4.7588 4.7588 5.6821 5.6822 5.6881 5.6881 15.1757 15.1758 15.1768 15.1769 16.0825 16.0825 16.0850 16.0850 17.7110 17.7138 k =-0.3171 0.1874 0.5488 ( 2736 PWs) bands (ev): -14.7109 -14.7109 -14.7107 -14.7107 -13.0356 -13.0356 -13.0355 -13.0355 -12.2458 -12.2457 -12.2456 -12.2456 -3.8274 -3.8273 -3.8265 -3.8264 -1.5179 -1.5178 -1.5150 -1.5149 -0.2514 -0.2513 -0.2470 -0.2470 0.5614 0.5614 0.5668 0.5668 0.7912 0.7913 0.7968 0.7969 3.2111 3.2111 3.2168 3.2169 4.1584 4.1585 4.1669 4.1669 4.7305 4.7306 4.7341 4.7342 5.6596 5.6597 5.6658 5.6658 15.1912 15.1913 15.1923 15.1924 16.0407 16.0407 16.0431 16.0431 17.7436 17.7446 k =-0.3293 0.1947 0.5488 ( 2732 PWs) bands (ev): -14.6956 -14.6956 -14.6954 -14.6954 -13.0473 -13.0472 -13.0471 -13.0471 -12.2618 -12.2618 -12.2617 -12.2617 -3.7953 -3.7952 -3.7944 -3.7943 -1.5231 -1.5230 -1.5203 -1.5202 -0.2223 -0.2223 -0.2181 -0.2180 0.5773 0.5774 0.5837 0.5837 0.7601 0.7602 0.7666 0.7667 3.1785 3.1785 3.1839 3.1840 4.1905 4.1905 4.1986 4.1987 4.7068 4.7068 4.7106 4.7107 5.6365 5.6365 5.6428 5.6428 15.2070 15.2071 15.2082 15.2083 15.9997 15.9997 16.0020 16.0021 17.7761 17.7788 k =-0.3415 0.2019 0.5488 ( 2726 PWs) bands (ev): -14.6806 -14.6806 -14.6804 -14.6804 -13.0589 -13.0588 -13.0587 -13.0587 -12.2771 -12.2771 -12.2770 -12.2770 -3.7642 -3.7642 -3.7634 -3.7633 -1.5274 -1.5273 -1.5247 -1.5246 -0.1941 -0.1940 -0.1899 -0.1899 0.5822 0.5822 0.5889 0.5890 0.7402 0.7403 0.7473 0.7474 3.1469 3.1469 3.1520 3.1521 4.2217 4.2218 4.2295 4.2296 4.6847 4.6848 4.6888 4.6889 5.6129 5.6129 5.6193 5.6193 15.2232 15.2232 15.2243 15.2244 15.9597 15.9597 15.9620 15.9620 17.8085 17.8108 k =-0.3537 0.2091 0.5488 ( 2730 PWs) bands (ev): -14.6660 -14.6660 -14.6658 -14.6658 -13.0703 -13.0703 -13.0702 -13.0702 -12.2915 -12.2915 -12.2914 -12.2914 -3.7345 -3.7344 -3.7337 -3.7336 -1.5306 -1.5305 -1.5281 -1.5280 -0.1665 -0.1665 -0.1625 -0.1625 0.5711 0.5712 0.5770 0.5771 0.7372 0.7373 0.7435 0.7435 3.1166 3.1167 3.1215 3.1215 4.2513 4.2514 4.2587 4.2587 4.6651 4.6651 4.6695 4.6695 5.5889 5.5890 5.5954 5.5954 15.2396 15.2396 15.2408 15.2408 15.9209 15.9209 15.9231 15.9231 17.8403 17.8449 k =-0.3659 0.2163 0.5488 ( 2730 PWs) bands (ev): -14.6520 -14.6519 -14.6518 -14.6517 -13.0815 -13.0815 -13.0814 -13.0813 -12.3050 -12.3049 -12.3048 -12.3048 -3.7062 -3.7062 -3.7055 -3.7054 -1.5330 -1.5329 -1.5306 -1.5305 -0.1397 -0.1397 -0.1358 -0.1358 0.5462 0.5463 0.5506 0.5507 0.7483 0.7484 0.7531 0.7532 3.0880 3.0881 3.0925 3.0926 4.2783 4.2783 4.2851 4.2852 4.6487 4.6487 4.6534 4.6534 5.5649 5.5649 5.5713 5.5713 15.2562 15.2563 15.2574 15.2575 15.8833 15.8833 15.8855 15.8855 17.8709 17.8710 k =-0.3780 0.2235 0.5488 ( 2730 PWs) bands (ev): -14.6386 -14.6385 -14.6384 -14.6384 -13.0923 -13.0923 -13.0922 -13.0922 -12.3174 -12.3174 -12.3173 -12.3173 -3.6797 -3.6796 -3.6789 -3.6789 -1.5345 -1.5344 -1.5323 -1.5321 -0.1135 -0.1134 -0.1097 -0.1096 0.5133 0.5134 0.5165 0.5166 0.7667 0.7667 0.7702 0.7703 3.0612 3.0613 3.0654 3.0655 4.3015 4.3016 4.3078 4.3078 4.6364 4.6365 4.6414 4.6415 5.5409 5.5409 5.5472 5.5472 15.2731 15.2731 15.2743 15.2743 15.8471 15.8471 15.8492 15.8492 17.9016 17.9028 k =-0.3902 0.2307 0.5488 ( 2730 PWs) bands (ev): -14.6259 -14.6259 -14.6258 -14.6257 -13.1026 -13.1026 -13.1025 -13.1025 -12.3288 -12.3287 -12.3287 -12.3286 -3.6550 -3.6549 -3.6543 -3.6542 -1.5353 -1.5352 -1.5332 -1.5331 -0.0877 -0.0877 -0.0841 -0.0840 0.4767 0.4768 0.4792 0.4792 0.7877 0.7878 0.7904 0.7904 3.0365 3.0365 3.0403 3.0404 4.3200 4.3200 4.3256 4.3257 4.6293 4.6293 4.6345 4.6346 5.5172 5.5172 5.5235 5.5235 15.2901 15.2901 15.2913 15.2914 15.8125 15.8125 15.8144 15.8145 17.9312 17.9344 k =-0.4024 0.2379 0.5488 ( 2730 PWs) bands (ev): -14.6142 -14.6142 -14.6140 -14.6140 -13.1123 -13.1123 -13.1122 -13.1122 -12.3390 -12.3390 -12.3389 -12.3389 -3.6324 -3.6323 -3.6317 -3.6317 -1.5355 -1.5353 -1.5336 -1.5334 -0.0624 -0.0623 -0.0588 -0.0587 0.4387 0.4388 0.4407 0.4408 0.8092 0.8092 0.8112 0.8113 3.0139 3.0140 3.0174 3.0175 4.3331 4.3332 4.3381 4.3381 4.6277 4.6277 4.6331 4.6332 5.4943 5.4943 5.5002 5.5002 15.3072 15.3072 15.3084 15.3084 15.7794 15.7795 15.7813 15.7813 17.9599 17.9611 k =-0.4146 0.2451 0.5488 ( 2726 PWs) bands (ev): -14.6036 -14.6035 -14.6034 -14.6034 -13.1212 -13.1212 -13.1211 -13.1211 -12.3482 -12.3481 -12.3481 -12.3481 -3.6120 -3.6119 -3.6114 -3.6114 -1.5351 -1.5350 -1.5334 -1.5333 -0.0372 -0.0371 -0.0337 -0.0336 0.4004 0.4005 0.4023 0.4024 0.8298 0.8299 0.8314 0.8315 2.9937 2.9938 2.9968 2.9969 4.3409 4.3410 4.3451 4.3452 4.6314 4.6315 4.6368 4.6369 5.4723 5.4723 5.4780 5.4780 15.3243 15.3243 15.3255 15.3255 15.7482 15.7482 15.7500 15.7500 17.9880 17.9888 k =-0.4268 0.2523 0.5488 ( 2730 PWs) bands (ev): -14.5940 -14.5940 -14.5938 -14.5938 -13.1293 -13.1293 -13.1292 -13.1292 -12.3561 -12.3561 -12.3561 -12.3560 -3.5940 -3.5939 -3.5935 -3.5934 -1.5344 -1.5343 -1.5330 -1.5328 -0.0121 -0.0120 -0.0087 -0.0086 0.3627 0.3627 0.3645 0.3646 0.8489 0.8490 0.8502 0.8502 2.9760 2.9760 2.9787 2.9788 4.3442 4.3442 4.3477 4.3477 4.6395 4.6396 4.6446 4.6447 5.4518 5.4518 5.4570 5.4570 15.3411 15.3411 15.3423 15.3423 15.7190 15.7191 15.7207 15.7207 18.0149 18.0161 k =-0.4390 0.2595 0.5488 ( 2734 PWs) bands (ev): -14.5857 -14.5857 -14.5855 -14.5855 -13.1363 -13.1363 -13.1362 -13.1362 -12.3629 -12.3629 -12.3628 -12.3628 -3.5785 -3.5785 -3.5781 -3.5780 -1.5335 -1.5334 -1.5323 -1.5321 0.0131 0.0131 0.0163 0.0164 0.3258 0.3259 0.3278 0.3278 0.8659 0.8659 0.8669 0.8669 2.9608 2.9609 2.9631 2.9632 4.3442 4.3443 4.3470 4.3471 4.6502 4.6503 4.6549 4.6550 5.4332 5.4332 5.4378 5.4378 15.3575 15.3575 15.3586 15.3586 15.6922 15.6922 15.6937 15.6938 18.0410 18.0423 k =-0.4512 0.2668 0.5488 ( 2734 PWs) bands (ev): -14.5788 -14.5788 -14.5786 -14.5786 -13.1423 -13.1423 -13.1422 -13.1422 -12.3685 -12.3684 -12.3684 -12.3684 -3.5657 -3.5656 -3.5653 -3.5653 -1.5325 -1.5324 -1.5315 -1.5314 0.0384 0.0385 0.0416 0.0416 0.2904 0.2904 0.2924 0.2925 0.8803 0.8804 0.8811 0.8811 2.9483 2.9484 2.9502 2.9502 4.3423 4.3424 4.3445 4.3446 4.6619 4.6620 4.6659 4.6660 5.4171 5.4171 5.4210 5.4210 15.3729 15.3730 15.3740 15.3740 15.6681 15.6682 15.6695 15.6696 18.0654 18.0680 k =-0.4634 0.2740 0.5488 ( 2728 PWs) bands (ev): -14.5733 -14.5733 -14.5731 -14.5731 -13.1470 -13.1470 -13.1469 -13.1469 -12.3728 -12.3728 -12.3727 -12.3727 -3.5556 -3.5555 -3.5553 -3.5553 -1.5316 -1.5314 -1.5308 -1.5307 0.0639 0.0640 0.0669 0.0670 0.2567 0.2567 0.2588 0.2589 0.8919 0.8920 0.8924 0.8925 2.9385 2.9386 2.9400 2.9400 4.3398 4.3398 4.3414 4.3414 4.6730 4.6731 4.6761 4.6762 5.4039 5.4039 5.4070 5.4070 15.3869 15.3869 15.3878 15.3878 15.6476 15.6477 15.6488 15.6488 18.0884 18.0888 k =-0.4756 0.2812 0.5488 ( 2728 PWs) bands (ev): -14.5693 -14.5693 -14.5691 -14.5691 -13.1504 -13.1504 -13.1503 -13.1503 -12.3759 -12.3759 -12.3759 -12.3758 -3.5483 -3.5483 -3.5481 -3.5481 -1.5308 -1.5306 -1.5302 -1.5301 0.0892 0.0893 0.0919 0.0920 0.2255 0.2255 0.2276 0.2277 0.9004 0.9004 0.9007 0.9008 2.9316 2.9317 2.9326 2.9326 4.3374 4.3375 4.3385 4.3385 4.6820 4.6821 4.6842 4.6843 5.3942 5.3942 5.3963 5.3963 15.3983 15.3984 15.3990 15.3990 15.6316 15.6317 15.6324 15.6325 18.1077 18.1117 k =-0.4878 0.2884 0.5488 ( 2728 PWs) bands (ev): -14.5669 -14.5669 -14.5667 -14.5667 -13.1525 -13.1525 -13.1524 -13.1524 -12.3777 -12.3777 -12.3777 -12.3777 -3.5439 -3.5439 -3.5438 -3.5438 -1.5302 -1.5301 -1.5299 -1.5298 0.1123 0.1124 0.1144 0.1145 0.1991 0.1991 0.2009 0.2009 0.9056 0.9056 0.9057 0.9058 2.9275 2.9276 2.9280 2.9281 4.3359 4.3359 4.3364 4.3365 4.6881 4.6882 4.6892 4.6893 5.3884 5.3884 5.3895 5.3895 15.4060 15.4061 15.4064 15.4065 15.6212 15.6213 15.6217 15.6218 18.1233 18.1252 k =-0.5000 0.2956 0.5488 ( 2732 PWs) bands (ev): -14.5661 -14.5661 -14.5659 -14.5659 -13.1532 -13.1532 -13.1531 -13.1531 -12.3784 -12.3784 -12.3783 -12.3783 -3.5424 -3.5424 -3.5424 -3.5424 -1.5299 -1.5299 -1.5298 -1.5298 0.1250 0.1250 0.1251 0.1251 0.1870 0.1870 0.1872 0.1872 0.9074 0.9074 0.9074 0.9074 2.9263 2.9263 2.9264 2.9264 4.3355 4.3355 4.3356 4.3356 4.6905 4.6905 4.6907 4.6907 5.3868 5.3868 5.3868 5.3868 15.4089 15.4089 15.4090 15.4090 15.6177 15.6177 15.6180 15.6180 18.1303 18.1304 Writing output data file B2O3.save init_run : 0.49s CPU 0.29s WALL ( 1 calls) electrons : 467.39s CPU 352.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.18s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 467.38s CPU 352.85s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.06s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.11s CPU 0.05s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.36s CPU 0.53s WALL ( 436 calls) cegterg : 425.42s CPU 327.16s WALL ( 967 calls) Called by sum_band: Called by *egterg: h_psi : 226.26s CPU 152.28s WALL ( 17469 calls) s_psi : 8.78s CPU 6.00s WALL ( 17469 calls) g_psi : 0.34s CPU 0.29s WALL ( 16066 calls) cdiaghg : 185.61s CPU 158.87s WALL ( 16502 calls) cegterg:over : 15.16s CPU 10.94s WALL ( 16066 calls) cegterg:upda : 11.90s CPU 9.36s WALL ( 16066 calls) cegterg:last : 5.91s CPU 4.61s WALL ( 2209 calls) cdiaghg:chol : 9.39s CPU 8.53s WALL ( 16502 calls) cdiaghg:inve : 6.73s CPU 5.90s WALL ( 16502 calls) cdiaghg:para : 10.74s CPU 9.71s WALL ( 33004 calls) Called by h_psi: h_psi:vloc : 199.04s CPU 132.90s WALL ( 17469 calls) h_psi:vnl : 26.80s CPU 19.03s WALL ( 17469 calls) add_vuspsi : 12.81s CPU 8.62s WALL ( 17469 calls) General routines calbec : 13.89s CPU 10.35s WALL ( 17469 calls) fft : 0.11s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 188.86s CPU 125.68s WALL ( 1466704 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.53s CPU 0.90s WALL ( 872 calls) Parallel routines fft_scatter : 73.78s CPU 53.49s WALL ( 1466727 calls) PWSCF : 8m 6.57s CPU 6m31.30s WALL This run was terminated on: 22:19:25 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=