Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 3:26 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: ./RbH3O2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 59 34 10 2599 1140 178 Max 60 35 11 2606 1161 181 Sum 2139 1235 361 93651 41409 6459 bravais-lattice index = 14 lattice parameter (alat) = 11.3148 a.u. unit-cell volume = 950.3600 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.314786 celldm(2)= 1.000000 celldm(3)= 1.015444 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.763261 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.763261 0.646090 0.000000 ) a(3) = ( 0.000000 0.000000 1.015444 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.181354 -0.000000 ) b(2) = ( 0.000000 1.547772 -0.000000 ) b(3) = ( 0.000000 0.000000 0.984791 ) 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5077221 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0064447 0.0175883 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0128893 0.0351766 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0193340 0.0527650 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0257787 0.0703533 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0322233 0.0879416 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0386680 0.1055299 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0451127 0.1231182 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0515574 0.1407065 -0.0000000), wk = 0.0027933 k( 10) = ( 0.0580020 0.1582949 -0.0000000), wk = 0.0027933 k( 11) = ( 0.0644467 0.1758832 -0.0000000), wk = 0.0027933 k( 12) = ( 0.0708914 0.1934715 -0.0000000), wk = 0.0027933 k( 13) = ( 0.0773360 0.2110598 -0.0000000), wk = 0.0027933 k( 14) = ( 0.0837807 0.2286481 -0.0000000), wk = 0.0027933 k( 15) = ( 0.0902254 0.2462364 -0.0000000), wk = 0.0027933 k( 16) = ( 0.0966700 0.2638248 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1031147 0.2814131 -0.0000000), wk = 0.0027933 k( 18) = ( 0.1095594 0.2990014 -0.0000000), wk = 0.0027933 k( 19) = ( 0.1160041 0.3165897 -0.0000000), wk = 0.0027933 k( 20) = ( 0.1224487 0.3341780 -0.0000000), wk = 0.0027933 k( 21) = ( 0.1288934 0.3517664 -0.0000000), wk = 0.0027933 k( 22) = ( 0.1353381 0.3693547 -0.0000000), wk = 0.0027933 k( 23) = ( 0.1417827 0.3869430 -0.0000000), wk = 0.0027933 k( 24) = ( 0.1482274 0.4045313 -0.0000000), wk = 0.0027933 k( 25) = ( 0.1546721 0.4221196 -0.0000000), wk = 0.0027933 k( 26) = ( 0.1611168 0.4397079 -0.0000000), wk = 0.0027933 k( 27) = ( 0.1675614 0.4572963 -0.0000000), wk = 0.0027933 k( 28) = ( 0.1740061 0.4748846 -0.0000000), wk = 0.0027933 k( 29) = ( 0.1804508 0.4924729 -0.0000000), wk = 0.0027933 k( 30) = ( 0.1868954 0.5100612 -0.0000000), wk = 0.0027933 k( 31) = ( 0.1933401 0.5276495 -0.0000000), wk = 0.0027933 k( 32) = ( 0.1997848 0.5452378 -0.0000000), wk = 0.0027933 k( 33) = ( 0.2062294 0.5628261 -0.0000000), wk = 0.0027933 k( 34) = ( 0.2126741 0.5804145 -0.0000000), wk = 0.0027933 k( 35) = ( 0.2191188 0.5980028 -0.0000000), wk = 0.0027933 k( 36) = ( 0.2255634 0.6155911 -0.0000000), wk = 0.0027933 k( 37) = ( 0.2320081 0.6331794 -0.0000000), wk = 0.0027933 k( 38) = ( 0.2384528 0.6507677 -0.0000000), wk = 0.0027933 k( 39) = ( 0.2448974 0.6683561 -0.0000000), wk = 0.0027933 k( 40) = ( 0.2513421 0.6859444 -0.0000000), wk = 0.0027933 k( 41) = ( 0.2577868 0.7035327 -0.0000000), wk = 0.0027933 k( 42) = ( 0.2642315 0.7211210 -0.0000000), wk = 0.0027933 k( 43) = ( 0.2706761 0.7387093 -0.0000000), wk = 0.0027933 k( 44) = ( 0.2771208 0.7562976 -0.0000000), wk = 0.0027933 k( 45) = ( 0.2835655 0.7738860 -0.0000000), wk = 0.0027933 k( 46) = ( 0.2835655 0.7738860 -0.0000000), wk = 0.0027933 k( 47) = ( 0.2646611 0.7738860 -0.0000000), wk = 0.0027933 k( 48) = ( 0.2457567 0.7738860 -0.0000000), wk = 0.0027933 k( 49) = ( 0.2268524 0.7738860 -0.0000000), wk = 0.0027933 k( 50) = ( 0.2079480 0.7738860 -0.0000000), wk = 0.0027933 k( 51) = ( 0.1890437 0.7738860 -0.0000000), wk = 0.0027933 k( 52) = ( 0.1701393 0.7738860 -0.0000000), wk = 0.0027933 k( 53) = ( 0.1512349 0.7738860 -0.0000000), wk = 0.0027933 k( 54) = ( 0.1323305 0.7738860 -0.0000000), wk = 0.0027933 k( 55) = ( 0.1134262 0.7738860 -0.0000000), wk = 0.0027933 k( 56) = ( 0.0945218 0.7738860 -0.0000000), wk = 0.0027933 k( 57) = ( 0.0756175 0.7738860 -0.0000000), wk = 0.0027933 k( 58) = ( 0.0567131 0.7738860 -0.0000000), wk = 0.0027933 k( 59) = ( 0.0378087 0.7738860 -0.0000000), wk = 0.0027933 k( 60) = ( 0.0189044 0.7738860 -0.0000000), wk = 0.0027933 k( 61) = ( 0.0000000 0.7738860 -0.0000000), wk = 0.0027933 k( 62) = ( 0.0000000 0.7738860 -0.0000000), wk = 0.0027933 k( 63) = ( 0.0000000 0.7738860 0.0189383), wk = 0.0027933 k( 64) = ( 0.0000000 0.7738860 0.0378766), wk = 0.0027933 k( 65) = ( 0.0000000 0.7738860 0.0568148), wk = 0.0027933 k( 66) = ( 0.0000000 0.7738860 0.0757531), wk = 0.0027933 k( 67) = ( 0.0000000 0.7738860 0.0946914), wk = 0.0027933 k( 68) = ( 0.0000000 0.7738860 0.1136297), wk = 0.0027933 k( 69) = ( 0.0000000 0.7738860 0.1325680), wk = 0.0027933 k( 70) = ( 0.0000000 0.7738860 0.1515063), wk = 0.0027933 k( 71) = ( 0.0000000 0.7738860 0.1704445), wk = 0.0027933 k( 72) = ( 0.0000000 0.7738860 0.1893828), wk = 0.0027933 k( 73) = ( 0.0000000 0.7738860 0.2083211), wk = 0.0027933 k( 74) = ( 0.0000000 0.7738860 0.2272594), wk = 0.0027933 k( 75) = ( 0.0000000 0.7738860 0.2461977), wk = 0.0027933 k( 76) = ( 0.0000000 0.7738860 0.2651360), wk = 0.0027933 k( 77) = ( 0.0000000 0.7738860 0.2840742), wk = 0.0027933 k( 78) = ( 0.0000000 0.7738860 0.3030125), wk = 0.0027933 k( 79) = ( 0.0000000 0.7738860 0.3219508), wk = 0.0027933 k( 80) = ( 0.0000000 0.7738860 0.3408891), wk = 0.0027933 k( 81) = ( 0.0000000 0.7738860 0.3598274), wk = 0.0027933 k( 82) = ( 0.0000000 0.7738860 0.3787656), wk = 0.0027933 k( 83) = ( 0.0000000 0.7738860 0.3977039), wk = 0.0027933 k( 84) = ( 0.0000000 0.7738860 0.4166422), wk = 0.0027933 k( 85) = ( 0.0000000 0.7738860 0.4355805), wk = 0.0027933 k( 86) = ( 0.0000000 0.7738860 0.4545188), wk = 0.0027933 k( 87) = ( 0.0000000 0.7738860 0.4734571), wk = 0.0027933 k( 88) = ( 0.0000000 0.7738860 0.4923953), wk = 0.0027933 k( 89) = ( 0.0000000 0.7738860 0.4923953), wk = 0.0027933 k( 90) = ( 0.0189044 0.7738860 0.4923953), wk = 0.0027933 k( 91) = ( 0.0378087 0.7738860 0.4923953), wk = 0.0027933 k( 92) = ( 0.0567131 0.7738860 0.4923953), wk = 0.0027933 k( 93) = ( 0.0756175 0.7738860 0.4923953), wk = 0.0027933 k( 94) = ( 0.0945218 0.7738860 0.4923953), wk = 0.0027933 k( 95) = ( 0.1134262 0.7738860 0.4923953), wk = 0.0027933 k( 96) = ( 0.1323305 0.7738860 0.4923953), wk = 0.0027933 k( 97) = ( 0.1512349 0.7738860 0.4923953), wk = 0.0027933 k( 98) = ( 0.1701393 0.7738860 0.4923953), wk = 0.0027933 k( 99) = ( 0.1890437 0.7738860 0.4923953), wk = 0.0027933 k( 100) = ( 0.2079480 0.7738860 0.4923953), wk = 0.0027933 k( 101) = ( 0.2268524 0.7738860 0.4923953), wk = 0.0027933 k( 102) = ( 0.2457567 0.7738860 0.4923953), wk = 0.0027933 k( 103) = ( 0.2646611 0.7738860 0.4923953), wk = 0.0027933 k( 104) = ( 0.2835655 0.7738860 0.4923953), wk = 0.0027933 k( 105) = ( 0.2835655 0.7738860 0.4923953), wk = 0.0027933 k( 106) = ( 0.2771208 0.7562976 0.4923953), wk = 0.0027933 k( 107) = ( 0.2706761 0.7387093 0.4923953), wk = 0.0027933 k( 108) = ( 0.2642315 0.7211210 0.4923953), wk = 0.0027933 k( 109) = ( 0.2577868 0.7035327 0.4923953), wk = 0.0027933 k( 110) = ( 0.2513421 0.6859444 0.4923953), wk = 0.0027933 k( 111) = ( 0.2448974 0.6683561 0.4923953), wk = 0.0027933 k( 112) = ( 0.2384528 0.6507677 0.4923953), wk = 0.0027933 k( 113) = ( 0.2320081 0.6331794 0.4923953), wk = 0.0027933 k( 114) = ( 0.2255634 0.6155911 0.4923953), wk = 0.0027933 k( 115) = ( 0.2191188 0.5980028 0.4923953), wk = 0.0027933 k( 116) = ( 0.2126741 0.5804145 0.4923953), wk = 0.0027933 k( 117) = ( 0.2062294 0.5628261 0.4923953), wk = 0.0027933 k( 118) = ( 0.1997848 0.5452378 0.4923953), wk = 0.0027933 k( 119) = ( 0.1933401 0.5276495 0.4923953), wk = 0.0027933 k( 120) = ( 0.1868954 0.5100612 0.4923953), wk = 0.0027933 k( 121) = ( 0.1804508 0.4924729 0.4923953), wk = 0.0027933 k( 122) = ( 0.1740061 0.4748846 0.4923953), wk = 0.0027933 k( 123) = ( 0.1675614 0.4572963 0.4923953), wk = 0.0027933 k( 124) = ( 0.1611168 0.4397079 0.4923953), wk = 0.0027933 k( 125) = ( 0.1546721 0.4221196 0.4923953), wk = 0.0027933 k( 126) = ( 0.1482274 0.4045313 0.4923953), wk = 0.0027933 k( 127) = ( 0.1417827 0.3869430 0.4923953), wk = 0.0027933 k( 128) = ( 0.1353381 0.3693547 0.4923953), wk = 0.0027933 k( 129) = ( 0.1288934 0.3517664 0.4923953), wk = 0.0027933 k( 130) = ( 0.1224487 0.3341780 0.4923953), wk = 0.0027933 k( 131) = ( 0.1160041 0.3165897 0.4923953), wk = 0.0027933 k( 132) = ( 0.1095594 0.2990014 0.4923953), wk = 0.0027933 k( 133) = ( 0.1031147 0.2814131 0.4923953), wk = 0.0027933 k( 134) = ( 0.0966700 0.2638248 0.4923953), wk = 0.0027933 k( 135) = ( 0.0902254 0.2462364 0.4923953), wk = 0.0027933 k( 136) = ( 0.0837807 0.2286481 0.4923953), wk = 0.0027933 k( 137) = ( 0.0773360 0.2110598 0.4923953), wk = 0.0027933 k( 138) = ( 0.0708914 0.1934715 0.4923953), wk = 0.0027933 k( 139) = ( 0.0644467 0.1758832 0.4923953), wk = 0.0027933 k( 140) = ( 0.0580020 0.1582949 0.4923953), wk = 0.0027933 k( 141) = ( 0.0515574 0.1407065 0.4923953), wk = 0.0027933 k( 142) = ( 0.0451127 0.1231182 0.4923953), wk = 0.0027933 k( 143) = ( 0.0386680 0.1055299 0.4923953), wk = 0.0027933 k( 144) = ( 0.0322233 0.0879416 0.4923953), wk = 0.0027933 k( 145) = ( 0.0257787 0.0703533 0.4923953), wk = 0.0027933 k( 146) = ( 0.0193340 0.0527650 0.4923953), wk = 0.0027933 k( 147) = ( 0.0128893 0.0351766 0.4923953), wk = 0.0027933 k( 148) = ( 0.0064447 0.0175883 0.4923953), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.4923953), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.4923953), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.4734571), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.4545188), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.4355805), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.4166422), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.3977039), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.3787656), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.3598274), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.3408891), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.3219508), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.3030125), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.2840742), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.2651360), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.2461977), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.2272594), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.2083211), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.1893828), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.1704445), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.1515063), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.1325680), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.1136297), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.0946914), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.0757531), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.0568148), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.0378766), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.0189383), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 178) = ( -0.0178571 0.0065432 0.0000000), wk = 0.0027933 k( 179) = ( -0.0357143 0.0130863 0.0000000), wk = 0.0027933 k( 180) = ( -0.0535714 0.0196295 0.0000000), wk = 0.0027933 k( 181) = ( -0.0714286 0.0261727 0.0000000), wk = 0.0027933 k( 182) = ( -0.0892857 0.0327159 0.0000000), wk = 0.0027933 k( 183) = ( -0.1071429 0.0392590 0.0000000), wk = 0.0027933 k( 184) = ( -0.1250000 0.0458022 0.0000000), wk = 0.0027933 k( 185) = ( -0.1428571 0.0523454 0.0000000), wk = 0.0027933 k( 186) = ( -0.1607143 0.0588886 0.0000000), wk = 0.0027933 k( 187) = ( -0.1785714 0.0654317 0.0000000), wk = 0.0027933 k( 188) = ( -0.1964286 0.0719749 0.0000000), wk = 0.0027933 k( 189) = ( -0.2142857 0.0785181 0.0000000), wk = 0.0027933 k( 190) = ( -0.2321429 0.0850612 0.0000000), wk = 0.0027933 k( 191) = ( -0.2500000 0.0916044 0.0000000), wk = 0.0027933 k( 192) = ( -0.2678571 0.0981476 0.0000000), wk = 0.0027933 k( 193) = ( -0.2857143 0.1046908 0.0000000), wk = 0.0027933 k( 194) = ( -0.3035714 0.1112339 0.0000000), wk = 0.0027933 k( 195) = ( -0.3214286 0.1177771 0.0000000), wk = 0.0027933 k( 196) = ( -0.3392857 0.1243203 0.0000000), wk = 0.0027933 k( 197) = ( -0.3571429 0.1308634 0.0000000), wk = 0.0027933 k( 198) = ( -0.3750000 0.1374066 0.0000000), wk = 0.0027933 k( 199) = ( -0.3928571 0.1439498 0.0000000), wk = 0.0027933 k( 200) = ( -0.4107143 0.1504930 0.0000000), wk = 0.0027933 k( 201) = ( -0.4285714 0.1570361 0.0000000), wk = 0.0027933 k( 202) = ( -0.4464286 0.1635793 0.0000000), wk = 0.0027933 k( 203) = ( -0.4642857 0.1701225 0.0000000), wk = 0.0027933 k( 204) = ( -0.4821429 0.1766657 0.0000000), wk = 0.0027933 k( 205) = ( -0.5000000 0.1832088 0.0000000), wk = 0.0027933 k( 206) = ( -0.5000000 0.1832088 0.0000000), wk = 0.0027933 k( 207) = ( -0.4936343 0.2005817 -0.0000000), wk = 0.0027933 k( 208) = ( -0.4872686 0.2179545 -0.0000000), wk = 0.0027933 k( 209) = ( -0.4809028 0.2353274 -0.0000000), wk = 0.0027933 k( 210) = ( -0.4745371 0.2527003 -0.0000000), wk = 0.0027933 k( 211) = ( -0.4681714 0.2700731 -0.0000000), wk = 0.0027933 k( 212) = ( -0.4618057 0.2874460 -0.0000000), wk = 0.0027933 k( 213) = ( -0.4554399 0.3048188 -0.0000000), wk = 0.0027933 k( 214) = ( -0.4490742 0.3221917 -0.0000000), wk = 0.0027933 k( 215) = ( -0.4427085 0.3395645 -0.0000000), wk = 0.0027933 k( 216) = ( -0.4363428 0.3569374 -0.0000000), wk = 0.0027933 k( 217) = ( -0.4299771 0.3743103 -0.0000000), wk = 0.0027933 k( 218) = ( -0.4236113 0.3916831 -0.0000000), wk = 0.0027933 k( 219) = ( -0.4172456 0.4090560 -0.0000000), wk = 0.0027933 k( 220) = ( -0.4108799 0.4264288 -0.0000000), wk = 0.0027933 k( 221) = ( -0.4045142 0.4438017 -0.0000000), wk = 0.0027933 k( 222) = ( -0.3981485 0.4611745 -0.0000000), wk = 0.0027933 k( 223) = ( -0.3917827 0.4785474 -0.0000000), wk = 0.0027933 k( 224) = ( -0.3854170 0.4959203 -0.0000000), wk = 0.0027933 k( 225) = ( -0.3790513 0.5132931 -0.0000000), wk = 0.0027933 k( 226) = ( -0.3726856 0.5306660 -0.0000000), wk = 0.0027933 k( 227) = ( -0.3663199 0.5480388 -0.0000000), wk = 0.0027933 k( 228) = ( -0.3599541 0.5654117 -0.0000000), wk = 0.0027933 k( 229) = ( -0.3535884 0.5827845 -0.0000000), wk = 0.0027933 k( 230) = ( -0.3472227 0.6001574 -0.0000000), wk = 0.0027933 k( 231) = ( -0.3408570 0.6175302 -0.0000000), wk = 0.0027933 k( 232) = ( -0.3344912 0.6349031 -0.0000000), wk = 0.0027933 k( 233) = ( -0.3281255 0.6522760 -0.0000000), wk = 0.0027933 k( 234) = ( -0.3217598 0.6696488 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3153941 0.6870217 -0.0000000), wk = 0.0027933 k( 236) = ( -0.3090284 0.7043945 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3026626 0.7217674 -0.0000000), wk = 0.0027933 k( 238) = ( -0.2962969 0.7391402 -0.0000000), wk = 0.0027933 k( 239) = ( -0.2899312 0.7565131 -0.0000000), wk = 0.0027933 k( 240) = ( -0.2835655 0.7738860 -0.0000000), wk = 0.0027933 k( 241) = ( -0.2835655 0.7738860 -0.0000000), wk = 0.0027933 k( 242) = ( -0.2835655 0.7738860 0.0189383), wk = 0.0027933 k( 243) = ( -0.2835655 0.7738860 0.0378766), wk = 0.0027933 k( 244) = ( -0.2835655 0.7738860 0.0568148), wk = 0.0027933 k( 245) = ( -0.2835655 0.7738860 0.0757531), wk = 0.0027933 k( 246) = ( -0.2835655 0.7738860 0.0946914), wk = 0.0027933 k( 247) = ( -0.2835655 0.7738860 0.1136297), wk = 0.0027933 k( 248) = ( -0.2835655 0.7738860 0.1325680), wk = 0.0027933 k( 249) = ( -0.2835655 0.7738860 0.1515063), wk = 0.0027933 k( 250) = ( -0.2835655 0.7738860 0.1704445), wk = 0.0027933 k( 251) = ( -0.2835655 0.7738860 0.1893828), wk = 0.0027933 k( 252) = ( -0.2835655 0.7738860 0.2083211), wk = 0.0027933 k( 253) = ( -0.2835655 0.7738860 0.2272594), wk = 0.0027933 k( 254) = ( -0.2835655 0.7738860 0.2461977), wk = 0.0027933 k( 255) = ( -0.2835655 0.7738860 0.2651360), wk = 0.0027933 k( 256) = ( -0.2835655 0.7738860 0.2840742), wk = 0.0027933 k( 257) = ( -0.2835655 0.7738860 0.3030125), wk = 0.0027933 k( 258) = ( -0.2835655 0.7738860 0.3219508), wk = 0.0027933 k( 259) = ( -0.2835655 0.7738860 0.3408891), wk = 0.0027933 k( 260) = ( -0.2835655 0.7738860 0.3598274), wk = 0.0027933 k( 261) = ( -0.2835655 0.7738860 0.3787656), wk = 0.0027933 k( 262) = ( -0.2835655 0.7738860 0.3977039), wk = 0.0027933 k( 263) = ( -0.2835655 0.7738860 0.4166422), wk = 0.0027933 k( 264) = ( -0.2835655 0.7738860 0.4355805), wk = 0.0027933 k( 265) = ( -0.2835655 0.7738860 0.4545188), wk = 0.0027933 k( 266) = ( -0.2835655 0.7738860 0.4734571), wk = 0.0027933 k( 267) = ( -0.2835655 0.7738860 0.4923953), wk = 0.0027933 k( 268) = ( -0.2835655 0.7738860 0.4923953), wk = 0.0027933 k( 269) = ( -0.2899312 0.7565131 0.4923953), wk = 0.0027933 k( 270) = ( -0.2962969 0.7391402 0.4923953), wk = 0.0027933 k( 271) = ( -0.3026626 0.7217674 0.4923953), wk = 0.0027933 k( 272) = ( -0.3090284 0.7043945 0.4923953), wk = 0.0027933 k( 273) = ( -0.3153941 0.6870217 0.4923953), wk = 0.0027933 k( 274) = ( -0.3217598 0.6696488 0.4923953), wk = 0.0027933 k( 275) = ( -0.3281255 0.6522760 0.4923953), wk = 0.0027933 k( 276) = ( -0.3344912 0.6349031 0.4923953), wk = 0.0027933 k( 277) = ( -0.3408570 0.6175302 0.4923953), wk = 0.0027933 k( 278) = ( -0.3472227 0.6001574 0.4923953), wk = 0.0027933 k( 279) = ( -0.3535884 0.5827845 0.4923953), wk = 0.0027933 k( 280) = ( -0.3599541 0.5654117 0.4923953), wk = 0.0027933 k( 281) = ( -0.3663199 0.5480388 0.4923953), wk = 0.0027933 k( 282) = ( -0.3726856 0.5306660 0.4923953), wk = 0.0027933 k( 283) = ( -0.3790513 0.5132931 0.4923953), wk = 0.0027933 k( 284) = ( -0.3854170 0.4959203 0.4923953), wk = 0.0027933 k( 285) = ( -0.3917827 0.4785474 0.4923953), wk = 0.0027933 k( 286) = ( -0.3981485 0.4611745 0.4923953), wk = 0.0027933 k( 287) = ( -0.4045142 0.4438017 0.4923953), wk = 0.0027933 k( 288) = ( -0.4108799 0.4264288 0.4923953), wk = 0.0027933 k( 289) = ( -0.4172456 0.4090560 0.4923953), wk = 0.0027933 k( 290) = ( -0.4236113 0.3916831 0.4923953), wk = 0.0027933 k( 291) = ( -0.4299771 0.3743103 0.4923953), wk = 0.0027933 k( 292) = ( -0.4363428 0.3569374 0.4923953), wk = 0.0027933 k( 293) = ( -0.4427085 0.3395645 0.4923953), wk = 0.0027933 k( 294) = ( -0.4490742 0.3221917 0.4923953), wk = 0.0027933 k( 295) = ( -0.4554399 0.3048188 0.4923953), wk = 0.0027933 k( 296) = ( -0.4618057 0.2874460 0.4923953), wk = 0.0027933 k( 297) = ( -0.4681714 0.2700731 0.4923953), wk = 0.0027933 k( 298) = ( -0.4745371 0.2527003 0.4923953), wk = 0.0027933 k( 299) = ( -0.4809028 0.2353274 0.4923953), wk = 0.0027933 k( 300) = ( -0.4872686 0.2179545 0.4923953), wk = 0.0027933 k( 301) = ( -0.4936343 0.2005817 0.4923953), wk = 0.0027933 k( 302) = ( -0.5000000 0.1832088 0.4923953), wk = 0.0027933 k( 303) = ( -0.5000000 0.1832088 0.4923953), wk = 0.0027933 k( 304) = ( -0.5000000 0.1832088 0.4734571), wk = 0.0027933 k( 305) = ( -0.5000000 0.1832088 0.4545188), wk = 0.0027933 k( 306) = ( -0.5000000 0.1832088 0.4355805), wk = 0.0027933 k( 307) = ( -0.5000000 0.1832088 0.4166422), wk = 0.0027933 k( 308) = ( -0.5000000 0.1832088 0.3977039), wk = 0.0027933 k( 309) = ( -0.5000000 0.1832088 0.3787656), wk = 0.0027933 k( 310) = ( -0.5000000 0.1832088 0.3598274), wk = 0.0027933 k( 311) = ( -0.5000000 0.1832088 0.3408891), wk = 0.0027933 k( 312) = ( -0.5000000 0.1832088 0.3219508), wk = 0.0027933 k( 313) = ( -0.5000000 0.1832088 0.3030125), wk = 0.0027933 k( 314) = ( -0.5000000 0.1832088 0.2840742), wk = 0.0027933 k( 315) = ( -0.5000000 0.1832088 0.2651360), wk = 0.0027933 k( 316) = ( -0.5000000 0.1832088 0.2461977), wk = 0.0027933 k( 317) = ( -0.5000000 0.1832088 0.2272594), wk = 0.0027933 k( 318) = ( -0.5000000 0.1832088 0.2083211), wk = 0.0027933 k( 319) = ( -0.5000000 0.1832088 0.1893828), wk = 0.0027933 k( 320) = ( -0.5000000 0.1832088 0.1704445), wk = 0.0027933 k( 321) = ( -0.5000000 0.1832088 0.1515063), wk = 0.0027933 k( 322) = ( -0.5000000 0.1832088 0.1325680), wk = 0.0027933 k( 323) = ( -0.5000000 0.1832088 0.1136297), wk = 0.0027933 k( 324) = ( -0.5000000 0.1832088 0.0946914), wk = 0.0027933 k( 325) = ( -0.5000000 0.1832088 0.0757531), wk = 0.0027933 k( 326) = ( -0.5000000 0.1832088 0.0568148), wk = 0.0027933 k( 327) = ( -0.5000000 0.1832088 0.0378766), wk = 0.0027933 k( 328) = ( -0.5000000 0.1832088 0.0189383), wk = 0.0027933 k( 329) = ( -0.5000000 0.1832088 0.0000000), wk = 0.0027933 k( 330) = ( 0.0000000 0.0000000 0.4923953), wk = 0.0027933 k( 331) = ( -0.0178571 0.0065432 0.4923953), wk = 0.0027933 k( 332) = ( -0.0357143 0.0130863 0.4923953), wk = 0.0027933 k( 333) = ( -0.0535714 0.0196295 0.4923953), wk = 0.0027933 k( 334) = ( -0.0714286 0.0261727 0.4923953), wk = 0.0027933 k( 335) = ( -0.0892857 0.0327159 0.4923953), wk = 0.0027933 k( 336) = ( -0.1071429 0.0392590 0.4923953), wk = 0.0027933 k( 337) = ( -0.1250000 0.0458022 0.4923953), wk = 0.0027933 k( 338) = ( -0.1428571 0.0523454 0.4923953), wk = 0.0027933 k( 339) = ( -0.1607143 0.0588886 0.4923953), wk = 0.0027933 k( 340) = ( -0.1785714 0.0654317 0.4923953), wk = 0.0027933 k( 341) = ( -0.1964286 0.0719749 0.4923953), wk = 0.0027933 k( 342) = ( -0.2142857 0.0785181 0.4923953), wk = 0.0027933 k( 343) = ( -0.2321429 0.0850612 0.4923953), wk = 0.0027933 k( 344) = ( -0.2500000 0.0916044 0.4923953), wk = 0.0027933 k( 345) = ( -0.2678571 0.0981476 0.4923953), wk = 0.0027933 k( 346) = ( -0.2857143 0.1046908 0.4923953), wk = 0.0027933 k( 347) = ( -0.3035714 0.1112339 0.4923953), wk = 0.0027933 k( 348) = ( -0.3214286 0.1177771 0.4923953), wk = 0.0027933 k( 349) = ( -0.3392857 0.1243203 0.4923953), wk = 0.0027933 k( 350) = ( -0.3571429 0.1308634 0.4923953), wk = 0.0027933 k( 351) = ( -0.3750000 0.1374066 0.4923953), wk = 0.0027933 k( 352) = ( -0.3928571 0.1439498 0.4923953), wk = 0.0027933 k( 353) = ( -0.4107143 0.1504930 0.4923953), wk = 0.0027933 k( 354) = ( -0.4285714 0.1570361 0.4923953), wk = 0.0027933 k( 355) = ( -0.4464286 0.1635793 0.4923953), wk = 0.0027933 k( 356) = ( -0.4642857 0.1701225 0.4923953), wk = 0.0027933 k( 357) = ( -0.4821429 0.1766657 0.4923953), wk = 0.0027933 k( 358) = ( -0.5000000 0.1832088 0.4923953), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0064447 0.0064447 0.0000000), wk = 0.0027933 k( 3) = ( 0.0128893 0.0128893 0.0000000), wk = 0.0027933 k( 4) = ( 0.0193340 0.0193340 0.0000000), wk = 0.0027933 k( 5) = ( 0.0257787 0.0257787 0.0000000), wk = 0.0027933 k( 6) = ( 0.0322233 0.0322233 0.0000000), wk = 0.0027933 k( 7) = ( 0.0386680 0.0386680 0.0000000), wk = 0.0027933 k( 8) = ( 0.0451127 0.0451127 0.0000000), wk = 0.0027933 k( 9) = ( 0.0515574 0.0515574 0.0000000), wk = 0.0027933 k( 10) = ( 0.0580020 0.0580020 0.0000000), wk = 0.0027933 k( 11) = ( 0.0644467 0.0644467 0.0000000), wk = 0.0027933 k( 12) = ( 0.0708914 0.0708914 0.0000000), wk = 0.0027933 k( 13) = ( 0.0773360 0.0773360 0.0000000), wk = 0.0027933 k( 14) = ( 0.0837807 0.0837807 0.0000000), wk = 0.0027933 k( 15) = ( 0.0902254 0.0902254 0.0000000), wk = 0.0027933 k( 16) = ( 0.0966700 0.0966701 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1031147 0.1031147 0.0000000), wk = 0.0027933 k( 18) = ( 0.1095594 0.1095594 0.0000000), wk = 0.0027933 k( 19) = ( 0.1160041 0.1160041 0.0000000), wk = 0.0027933 k( 20) = ( 0.1224487 0.1224487 0.0000000), wk = 0.0027933 k( 21) = ( 0.1288934 0.1288934 0.0000000), wk = 0.0027933 k( 22) = ( 0.1353381 0.1353381 0.0000000), wk = 0.0027933 k( 23) = ( 0.1417827 0.1417827 0.0000000), wk = 0.0027933 k( 24) = ( 0.1482274 0.1482274 -0.0000000), wk = 0.0027933 k( 25) = ( 0.1546721 0.1546721 0.0000000), wk = 0.0027933 k( 26) = ( 0.1611168 0.1611168 0.0000000), wk = 0.0027933 k( 27) = ( 0.1675614 0.1675614 0.0000000), wk = 0.0027933 k( 28) = ( 0.1740061 0.1740061 0.0000000), wk = 0.0027933 k( 29) = ( 0.1804508 0.1804508 0.0000000), wk = 0.0027933 k( 30) = ( 0.1868954 0.1868954 0.0000000), wk = 0.0027933 k( 31) = ( 0.1933401 0.1933401 0.0000000), wk = 0.0027933 k( 32) = ( 0.1997848 0.1997848 0.0000000), wk = 0.0027933 k( 33) = ( 0.2062294 0.2062294 -0.0000000), wk = 0.0027933 k( 34) = ( 0.2126741 0.2126741 0.0000000), wk = 0.0027933 k( 35) = ( 0.2191188 0.2191188 0.0000000), wk = 0.0027933 k( 36) = ( 0.2255634 0.2255634 0.0000000), wk = 0.0027933 k( 37) = ( 0.2320081 0.2320081 -0.0000000), wk = 0.0027933 k( 38) = ( 0.2384528 0.2384528 -0.0000000), wk = 0.0027933 k( 39) = ( 0.2448974 0.2448975 0.0000000), wk = 0.0027933 k( 40) = ( 0.2513421 0.2513421 0.0000000), wk = 0.0027933 k( 41) = ( 0.2577868 0.2577868 0.0000000), wk = 0.0027933 k( 42) = ( 0.2642315 0.2642315 0.0000000), wk = 0.0027933 k( 43) = ( 0.2706761 0.2706761 0.0000000), wk = 0.0027933 k( 44) = ( 0.2771208 0.2771208 0.0000000), wk = 0.0027933 k( 45) = ( 0.2835655 0.2835655 0.0000000), wk = 0.0027933 k( 46) = ( 0.2835655 0.2835655 0.0000000), wk = 0.0027933 k( 47) = ( 0.2646611 0.2979944 -0.0000000), wk = 0.0027933 k( 48) = ( 0.2457567 0.3124234 0.0000000), wk = 0.0027933 k( 49) = ( 0.2268524 0.3268524 -0.0000000), wk = 0.0027933 k( 50) = ( 0.2079480 0.3412814 0.0000000), wk = 0.0027933 k( 51) = ( 0.1890437 0.3557103 -0.0000000), wk = 0.0027933 k( 52) = ( 0.1701393 0.3701393 -0.0000000), wk = 0.0027933 k( 53) = ( 0.1512349 0.3845683 0.0000000), wk = 0.0027933 k( 54) = ( 0.1323305 0.3989972 0.0000000), wk = 0.0027933 k( 55) = ( 0.1134262 0.4134262 0.0000000), wk = 0.0027933 k( 56) = ( 0.0945218 0.4278552 0.0000000), wk = 0.0027933 k( 57) = ( 0.0756175 0.4422841 0.0000000), wk = 0.0027933 k( 58) = ( 0.0567131 0.4567131 0.0000000), wk = 0.0027933 k( 59) = ( 0.0378087 0.4711421 -0.0000000), wk = 0.0027933 k( 60) = ( 0.0189044 0.4855710 -0.0000000), wk = 0.0027933 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 63) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0027933 k( 64) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0027933 k( 65) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0027933 k( 66) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0027933 k( 67) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0027933 k( 68) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0027933 k( 69) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0027933 k( 70) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0027933 k( 71) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0027933 k( 72) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0027933 k( 73) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0027933 k( 74) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0027933 k( 75) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027933 k( 76) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0027933 k( 77) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0027933 k( 78) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0027933 k( 79) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0027933 k( 80) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0027933 k( 81) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0027933 k( 82) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0027933 k( 83) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0027933 k( 84) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0027933 k( 85) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0027933 k( 86) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0027933 k( 87) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0027933 k( 88) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 90) = ( 0.0189044 0.4855710 0.5000000), wk = 0.0027933 k( 91) = ( 0.0378087 0.4711421 0.5000000), wk = 0.0027933 k( 92) = ( 0.0567131 0.4567131 0.5000000), wk = 0.0027933 k( 93) = ( 0.0756175 0.4422841 0.5000000), wk = 0.0027933 k( 94) = ( 0.0945218 0.4278552 0.5000000), wk = 0.0027933 k( 95) = ( 0.1134262 0.4134262 0.5000000), wk = 0.0027933 k( 96) = ( 0.1323305 0.3989972 0.5000000), wk = 0.0027933 k( 97) = ( 0.1512349 0.3845683 0.5000000), wk = 0.0027933 k( 98) = ( 0.1701393 0.3701393 0.5000000), wk = 0.0027933 k( 99) = ( 0.1890437 0.3557103 0.5000000), wk = 0.0027933 k( 100) = ( 0.2079480 0.3412814 0.5000000), wk = 0.0027933 k( 101) = ( 0.2268524 0.3268524 0.5000000), wk = 0.0027933 k( 102) = ( 0.2457567 0.3124234 0.5000000), wk = 0.0027933 k( 103) = ( 0.2646611 0.2979944 0.5000000), wk = 0.0027933 k( 104) = ( 0.2835655 0.2835655 0.5000000), wk = 0.0027933 k( 105) = ( 0.2835655 0.2835655 0.5000000), wk = 0.0027933 k( 106) = ( 0.2771208 0.2771208 0.5000000), wk = 0.0027933 k( 107) = ( 0.2706761 0.2706761 0.5000000), wk = 0.0027933 k( 108) = ( 0.2642315 0.2642315 0.5000000), wk = 0.0027933 k( 109) = ( 0.2577868 0.2577868 0.5000000), wk = 0.0027933 k( 110) = ( 0.2513421 0.2513421 0.5000000), wk = 0.0027933 k( 111) = ( 0.2448974 0.2448975 0.5000000), wk = 0.0027933 k( 112) = ( 0.2384528 0.2384528 0.5000000), wk = 0.0027933 k( 113) = ( 0.2320081 0.2320081 0.5000000), wk = 0.0027933 k( 114) = ( 0.2255634 0.2255634 0.5000000), wk = 0.0027933 k( 115) = ( 0.2191188 0.2191188 0.5000000), wk = 0.0027933 k( 116) = ( 0.2126741 0.2126741 0.5000000), wk = 0.0027933 k( 117) = ( 0.2062294 0.2062294 0.5000000), wk = 0.0027933 k( 118) = ( 0.1997848 0.1997848 0.5000000), wk = 0.0027933 k( 119) = ( 0.1933401 0.1933401 0.5000000), wk = 0.0027933 k( 120) = ( 0.1868954 0.1868954 0.5000000), wk = 0.0027933 k( 121) = ( 0.1804508 0.1804508 0.5000000), wk = 0.0027933 k( 122) = ( 0.1740061 0.1740061 0.5000000), wk = 0.0027933 k( 123) = ( 0.1675614 0.1675614 0.5000000), wk = 0.0027933 k( 124) = ( 0.1611168 0.1611168 0.5000000), wk = 0.0027933 k( 125) = ( 0.1546721 0.1546721 0.5000000), wk = 0.0027933 k( 126) = ( 0.1482274 0.1482274 0.5000000), wk = 0.0027933 k( 127) = ( 0.1417827 0.1417827 0.5000000), wk = 0.0027933 k( 128) = ( 0.1353381 0.1353381 0.5000000), wk = 0.0027933 k( 129) = ( 0.1288934 0.1288934 0.5000000), wk = 0.0027933 k( 130) = ( 0.1224487 0.1224487 0.5000000), wk = 0.0027933 k( 131) = ( 0.1160041 0.1160041 0.5000000), wk = 0.0027933 k( 132) = ( 0.1095594 0.1095594 0.5000000), wk = 0.0027933 k( 133) = ( 0.1031147 0.1031147 0.5000000), wk = 0.0027933 k( 134) = ( 0.0966700 0.0966701 0.5000000), wk = 0.0027933 k( 135) = ( 0.0902254 0.0902254 0.5000000), wk = 0.0027933 k( 136) = ( 0.0837807 0.0837807 0.5000000), wk = 0.0027933 k( 137) = ( 0.0773360 0.0773360 0.5000000), wk = 0.0027933 k( 138) = ( 0.0708914 0.0708914 0.5000000), wk = 0.0027933 k( 139) = ( 0.0644467 0.0644467 0.5000000), wk = 0.0027933 k( 140) = ( 0.0580020 0.0580020 0.5000000), wk = 0.0027933 k( 141) = ( 0.0515574 0.0515574 0.5000000), wk = 0.0027933 k( 142) = ( 0.0451127 0.0451127 0.5000000), wk = 0.0027933 k( 143) = ( 0.0386680 0.0386680 0.5000000), wk = 0.0027933 k( 144) = ( 0.0322233 0.0322233 0.5000000), wk = 0.0027933 k( 145) = ( 0.0257787 0.0257787 0.5000000), wk = 0.0027933 k( 146) = ( 0.0193340 0.0193340 0.5000000), wk = 0.0027933 k( 147) = ( 0.0128893 0.0128893 0.5000000), wk = 0.0027933 k( 148) = ( 0.0064447 0.0064447 0.5000000), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 178) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0027933 k( 179) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0027933 k( 180) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0027933 k( 181) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0027933 k( 182) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0027933 k( 183) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0027933 k( 184) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0027933 k( 185) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0027933 k( 186) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0027933 k( 187) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0027933 k( 188) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0027933 k( 189) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0027933 k( 190) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0027933 k( 191) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027933 k( 192) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0027933 k( 193) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0027933 k( 194) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0027933 k( 195) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0027933 k( 196) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0027933 k( 197) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0027933 k( 198) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0027933 k( 199) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0027933 k( 200) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0027933 k( 201) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0027933 k( 202) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0027933 k( 203) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0027933 k( 204) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0027933 k( 205) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 206) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 207) = ( -0.4936343 0.5063657 -0.0000000), wk = 0.0027933 k( 208) = ( -0.4872686 0.5127314 -0.0000000), wk = 0.0027933 k( 209) = ( -0.4809028 0.5190972 -0.0000000), wk = 0.0027933 k( 210) = ( -0.4745371 0.5254629 -0.0000000), wk = 0.0027933 k( 211) = ( -0.4681714 0.5318286 -0.0000000), wk = 0.0027933 k( 212) = ( -0.4618057 0.5381943 0.0000000), wk = 0.0027933 k( 213) = ( -0.4554399 0.5445600 -0.0000000), wk = 0.0027933 k( 214) = ( -0.4490742 0.5509258 0.0000000), wk = 0.0027933 k( 215) = ( -0.4427085 0.5572915 0.0000000), wk = 0.0027933 k( 216) = ( -0.4363428 0.5636572 0.0000000), wk = 0.0027933 k( 217) = ( -0.4299771 0.5700229 0.0000000), wk = 0.0027933 k( 218) = ( -0.4236113 0.5763887 0.0000000), wk = 0.0027933 k( 219) = ( -0.4172456 0.5827544 0.0000000), wk = 0.0027933 k( 220) = ( -0.4108799 0.5891201 -0.0000000), wk = 0.0027933 k( 221) = ( -0.4045142 0.5954858 -0.0000000), wk = 0.0027933 k( 222) = ( -0.3981485 0.6018515 0.0000000), wk = 0.0027933 k( 223) = ( -0.3917827 0.6082173 -0.0000000), wk = 0.0027933 k( 224) = ( -0.3854170 0.6145830 -0.0000000), wk = 0.0027933 k( 225) = ( -0.3790513 0.6209487 -0.0000000), wk = 0.0027933 k( 226) = ( -0.3726856 0.6273144 -0.0000000), wk = 0.0027933 k( 227) = ( -0.3663199 0.6336801 -0.0000000), wk = 0.0027933 k( 228) = ( -0.3599541 0.6400459 0.0000000), wk = 0.0027933 k( 229) = ( -0.3535884 0.6464116 -0.0000000), wk = 0.0027933 k( 230) = ( -0.3472227 0.6527773 -0.0000000), wk = 0.0027933 k( 231) = ( -0.3408570 0.6591430 0.0000000), wk = 0.0027933 k( 232) = ( -0.3344912 0.6655088 0.0000000), wk = 0.0027933 k( 233) = ( -0.3281255 0.6718745 0.0000000), wk = 0.0027933 k( 234) = ( -0.3217598 0.6782402 -0.0000000), wk = 0.0027933 k( 235) = ( -0.3153941 0.6846059 -0.0000000), wk = 0.0027933 k( 236) = ( -0.3090284 0.6909716 -0.0000000), wk = 0.0027933 k( 237) = ( -0.3026626 0.6973374 -0.0000000), wk = 0.0027933 k( 238) = ( -0.2962969 0.7037031 0.0000000), wk = 0.0027933 k( 239) = ( -0.2899312 0.7100688 0.0000000), wk = 0.0027933 k( 240) = ( -0.2835655 0.7164345 -0.0000000), wk = 0.0027933 k( 241) = ( -0.2835655 0.7164345 -0.0000000), wk = 0.0027933 k( 242) = ( -0.2835655 0.7164345 0.0192308), wk = 0.0027933 k( 243) = ( -0.2835655 0.7164345 0.0384615), wk = 0.0027933 k( 244) = ( -0.2835655 0.7164345 0.0576923), wk = 0.0027933 k( 245) = ( -0.2835655 0.7164345 0.0769231), wk = 0.0027933 k( 246) = ( -0.2835655 0.7164345 0.0961538), wk = 0.0027933 k( 247) = ( -0.2835655 0.7164345 0.1153846), wk = 0.0027933 k( 248) = ( -0.2835655 0.7164345 0.1346154), wk = 0.0027933 k( 249) = ( -0.2835655 0.7164345 0.1538461), wk = 0.0027933 k( 250) = ( -0.2835655 0.7164345 0.1730769), wk = 0.0027933 k( 251) = ( -0.2835655 0.7164345 0.1923077), wk = 0.0027933 k( 252) = ( -0.2835655 0.7164345 0.2115385), wk = 0.0027933 k( 253) = ( -0.2835655 0.7164345 0.2307692), wk = 0.0027933 k( 254) = ( -0.2835655 0.7164345 0.2500000), wk = 0.0027933 k( 255) = ( -0.2835655 0.7164345 0.2692308), wk = 0.0027933 k( 256) = ( -0.2835655 0.7164345 0.2884615), wk = 0.0027933 k( 257) = ( -0.2835655 0.7164345 0.3076923), wk = 0.0027933 k( 258) = ( -0.2835655 0.7164345 0.3269231), wk = 0.0027933 k( 259) = ( -0.2835655 0.7164345 0.3461539), wk = 0.0027933 k( 260) = ( -0.2835655 0.7164345 0.3653846), wk = 0.0027933 k( 261) = ( -0.2835655 0.7164345 0.3846154), wk = 0.0027933 k( 262) = ( -0.2835655 0.7164345 0.4038462), wk = 0.0027933 k( 263) = ( -0.2835655 0.7164345 0.4230769), wk = 0.0027933 k( 264) = ( -0.2835655 0.7164345 0.4423077), wk = 0.0027933 k( 265) = ( -0.2835655 0.7164345 0.4615385), wk = 0.0027933 k( 266) = ( -0.2835655 0.7164345 0.4807692), wk = 0.0027933 k( 267) = ( -0.2835655 0.7164345 0.5000000), wk = 0.0027933 k( 268) = ( -0.2835655 0.7164345 0.5000000), wk = 0.0027933 k( 269) = ( -0.2899312 0.7100688 0.5000000), wk = 0.0027933 k( 270) = ( -0.2962969 0.7037031 0.5000000), wk = 0.0027933 k( 271) = ( -0.3026626 0.6973374 0.5000000), wk = 0.0027933 k( 272) = ( -0.3090284 0.6909716 0.5000000), wk = 0.0027933 k( 273) = ( -0.3153941 0.6846059 0.5000000), wk = 0.0027933 k( 274) = ( -0.3217598 0.6782402 0.5000000), wk = 0.0027933 k( 275) = ( -0.3281255 0.6718745 0.5000000), wk = 0.0027933 k( 276) = ( -0.3344912 0.6655088 0.5000000), wk = 0.0027933 k( 277) = ( -0.3408570 0.6591430 0.5000000), wk = 0.0027933 k( 278) = ( -0.3472227 0.6527773 0.5000000), wk = 0.0027933 k( 279) = ( -0.3535884 0.6464116 0.5000000), wk = 0.0027933 k( 280) = ( -0.3599541 0.6400459 0.5000000), wk = 0.0027933 k( 281) = ( -0.3663199 0.6336801 0.5000000), wk = 0.0027933 k( 282) = ( -0.3726856 0.6273144 0.5000000), wk = 0.0027933 k( 283) = ( -0.3790513 0.6209487 0.5000000), wk = 0.0027933 k( 284) = ( -0.3854170 0.6145830 0.5000000), wk = 0.0027933 k( 285) = ( -0.3917827 0.6082173 0.5000000), wk = 0.0027933 k( 286) = ( -0.3981485 0.6018515 0.5000000), wk = 0.0027933 k( 287) = ( -0.4045142 0.5954858 0.5000000), wk = 0.0027933 k( 288) = ( -0.4108799 0.5891201 0.5000000), wk = 0.0027933 k( 289) = ( -0.4172456 0.5827544 0.5000000), wk = 0.0027933 k( 290) = ( -0.4236113 0.5763887 0.5000000), wk = 0.0027933 k( 291) = ( -0.4299771 0.5700229 0.5000000), wk = 0.0027933 k( 292) = ( -0.4363428 0.5636572 0.5000000), wk = 0.0027933 k( 293) = ( -0.4427085 0.5572915 0.5000000), wk = 0.0027933 k( 294) = ( -0.4490742 0.5509258 0.5000000), wk = 0.0027933 k( 295) = ( -0.4554399 0.5445600 0.5000000), wk = 0.0027933 k( 296) = ( -0.4618057 0.5381943 0.5000000), wk = 0.0027933 k( 297) = ( -0.4681714 0.5318286 0.5000000), wk = 0.0027933 k( 298) = ( -0.4745371 0.5254629 0.5000000), wk = 0.0027933 k( 299) = ( -0.4809028 0.5190972 0.5000000), wk = 0.0027933 k( 300) = ( -0.4872686 0.5127314 0.5000000), wk = 0.0027933 k( 301) = ( -0.4936343 0.5063657 0.5000000), wk = 0.0027933 k( 302) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 304) = ( -0.5000000 0.5000000 0.4807692), wk = 0.0027933 k( 305) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0027933 k( 306) = ( -0.5000000 0.5000000 0.4423077), wk = 0.0027933 k( 307) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0027933 k( 308) = ( -0.5000000 0.5000000 0.4038462), wk = 0.0027933 k( 309) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0027933 k( 310) = ( -0.5000000 0.5000000 0.3653846), wk = 0.0027933 k( 311) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0027933 k( 312) = ( -0.5000000 0.5000000 0.3269231), wk = 0.0027933 k( 313) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0027933 k( 314) = ( -0.5000000 0.5000000 0.2884615), wk = 0.0027933 k( 315) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0027933 k( 316) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027933 k( 317) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0027933 k( 318) = ( -0.5000000 0.5000000 0.2115385), wk = 0.0027933 k( 319) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0027933 k( 320) = ( -0.5000000 0.5000000 0.1730769), wk = 0.0027933 k( 321) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0027933 k( 322) = ( -0.5000000 0.5000000 0.1346154), wk = 0.0027933 k( 323) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0027933 k( 324) = ( -0.5000000 0.5000000 0.0961539), wk = 0.0027933 k( 325) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0027933 k( 326) = ( -0.5000000 0.5000000 0.0576923), wk = 0.0027933 k( 327) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0027933 k( 328) = ( -0.5000000 0.5000000 0.0192308), wk = 0.0027933 k( 329) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027933 k( 330) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 331) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0027933 k( 332) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0027933 k( 333) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0027933 k( 334) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0027933 k( 335) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0027933 k( 336) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0027933 k( 337) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0027933 k( 338) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0027933 k( 339) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0027933 k( 340) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0027933 k( 341) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0027933 k( 342) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0027933 k( 343) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0027933 k( 344) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027933 k( 345) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0027933 k( 346) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0027933 k( 347) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0027933 k( 348) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0027933 k( 349) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0027933 k( 350) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0027933 k( 351) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0027933 k( 352) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0027933 k( 353) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0027933 k( 354) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0027933 k( 355) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0027933 k( 356) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0027933 k( 357) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0027933 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 93651 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 41409 G-vectors FFT dimensions: ( 50, 50, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 290, 58) NL pseudopotentials 0.30 Mb ( 145, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2601) G-vector shells 0.01 Mb ( 1330) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 290, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./RbH3O2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.8 secs Computing kpt #: 11 total cpu time spent up to now is 11.7 secs Computing kpt #: 12 total cpu time spent up to now is 12.6 secs Computing kpt #: 13 total cpu time spent up to now is 13.5 secs Computing kpt #: 14 total cpu time spent up to now is 14.6 secs Computing kpt #: 15 total cpu time spent up to now is 15.5 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.1 secs Computing kpt #: 19 total cpu time spent up to now is 19.0 secs Computing kpt #: 20 total cpu time spent up to now is 19.9 secs Computing kpt #: 21 total cpu time spent up to now is 20.8 secs Computing kpt #: 22 total cpu time spent up to now is 21.5 secs Computing kpt #: 23 total cpu time spent up to now is 22.4 secs Computing kpt #: 24 total cpu time spent up to now is 23.2 secs Computing kpt #: 25 total cpu time spent up to now is 24.1 secs Computing kpt #: 26 total cpu time spent up to now is 24.8 secs Computing kpt #: 27 total cpu time spent up to now is 25.6 secs Computing kpt #: 28 total cpu time spent up to now is 26.3 secs Computing kpt #: 29 total cpu time spent up to now is 27.1 secs Computing kpt #: 30 total cpu time spent up to now is 27.8 secs Computing kpt #: 31 total cpu time spent up to now is 28.6 secs Computing kpt #: 32 total cpu time spent up to now is 29.4 secs Computing kpt #: 33 total cpu time spent up to now is 30.2 secs Computing kpt #: 34 total cpu time spent up to now is 31.0 secs Computing kpt #: 35 total cpu time spent up to now is 31.8 secs Computing kpt #: 36 total cpu time spent up to now is 32.5 secs Computing kpt #: 37 total cpu time spent up to now is 33.3 secs Computing kpt #: 38 total cpu time spent up to now is 34.1 secs Computing kpt #: 39 total cpu time spent up to now is 34.9 secs Computing kpt #: 40 total cpu time spent up to now is 35.7 secs Computing kpt #: 41 total cpu time spent up to now is 36.5 secs Computing kpt #: 42 total cpu time spent up to now is 37.3 secs Computing kpt #: 43 total cpu time spent up to now is 38.1 secs Computing kpt #: 44 total cpu time spent up to now is 38.9 secs Computing kpt #: 45 total cpu time spent up to now is 39.7 secs Computing kpt #: 46 total cpu time spent up to now is 40.6 secs Computing kpt #: 47 total cpu time spent up to now is 41.3 secs Computing kpt #: 48 total cpu time spent up to now is 42.1 secs Computing kpt #: 49 total cpu time spent up to now is 42.9 secs Computing kpt #: 50 total cpu time spent up to now is 43.7 secs Computing kpt #: 51 total cpu time spent up to now is 44.5 secs Computing kpt #: 52 total cpu time spent up to now is 45.3 secs Computing kpt #: 53 total cpu time spent up to now is 46.0 secs Computing kpt #: 54 total cpu time spent up to now is 46.9 secs Computing kpt #: 55 total cpu time spent up to now is 47.7 secs Computing kpt #: 56 total cpu time spent up to now is 48.5 secs Computing kpt #: 57 total cpu time spent up to now is 49.3 secs Computing kpt #: 58 total cpu time spent up to now is 50.1 secs Computing kpt #: 59 total cpu time spent up to now is 50.9 secs Computing kpt #: 60 total cpu time spent up to now is 51.7 secs Computing kpt #: 61 total cpu time spent up to now is 52.5 secs Computing kpt #: 62 total cpu time spent up to now is 53.4 secs Computing kpt #: 63 total cpu time spent up to now is 54.2 secs Computing kpt #: 64 total cpu time spent up to now is 55.0 secs Computing kpt #: 65 total cpu time spent up to now is 55.8 secs Computing kpt #: 66 total cpu time spent up to now is 56.5 secs Computing kpt #: 67 total cpu time spent up to now is 57.3 secs Computing kpt #: 68 total cpu time spent up to now is 58.1 secs Computing kpt #: 69 total cpu time spent up to now is 59.0 secs Computing kpt #: 70 total cpu time spent up to now is 59.8 secs Computing kpt #: 71 total cpu time spent up to now is 60.5 secs Computing kpt #: 72 total cpu time spent up to now is 61.3 secs Computing kpt #: 73 total cpu time spent up to now is 62.1 secs Computing kpt #: 74 total cpu time spent up to now is 62.9 secs Computing kpt #: 75 total cpu time spent up to now is 63.7 secs Computing kpt #: 76 total cpu time spent up to now is 64.5 secs Computing kpt #: 77 total cpu time spent up to now is 65.4 secs Computing kpt #: 78 total cpu time spent up to now is 66.3 secs Computing kpt #: 79 total cpu time spent up to now is 67.2 secs Computing kpt #: 80 total cpu time spent up to now is 67.9 secs Computing kpt #: 81 total cpu time spent up to now is 68.7 secs Computing kpt #: 82 total cpu time spent up to now is 69.5 secs Computing kpt #: 83 total cpu time spent up to now is 70.3 secs Computing kpt #: 84 total cpu time spent up to now is 71.1 secs Computing kpt #: 85 total cpu time spent up to now is 71.9 secs Computing kpt #: 86 total cpu time spent up to now is 72.7 secs Computing kpt #: 87 total cpu time spent up to now is 73.5 secs Computing kpt #: 88 total cpu time spent up to now is 74.4 secs Computing kpt #: 89 total cpu time spent up to now is 75.2 secs Computing kpt #: 90 total cpu time spent up to now is 76.1 secs Computing kpt #: 91 total cpu time spent up to now is 77.0 secs Computing kpt #: 92 total cpu time spent up to now is 77.8 secs Computing kpt #: 93 total cpu time spent up to now is 78.7 secs Computing kpt #: 94 total cpu time spent up to now is 79.6 secs Computing kpt #: 95 total cpu time spent up to now is 80.3 secs Computing kpt #: 96 total cpu time spent up to now is 81.1 secs Computing kpt #: 97 total cpu time spent up to now is 82.0 secs Computing kpt #: 98 total cpu time spent up to now is 82.9 secs Computing kpt #: 99 total cpu time spent up to now is 83.7 secs Computing kpt #: 100 total cpu time spent up to now is 84.6 secs Computing kpt #: 101 total cpu time spent up to now is 85.5 secs Computing kpt #: 102 total cpu time spent up to now is 86.4 secs Computing kpt #: 103 total cpu time spent up to now is 87.2 secs Computing kpt #: 104 total cpu time spent up to now is 88.0 secs Computing kpt #: 105 total cpu time spent up to now is 88.8 secs Computing kpt #: 106 total cpu time spent up to now is 89.7 secs Computing kpt #: 107 total cpu time spent up to now is 90.5 secs Computing kpt #: 108 total cpu time spent up to now is 91.4 secs Computing kpt #: 109 total cpu time spent up to now is 92.3 secs Computing kpt #: 110 total cpu time spent up to now is 93.0 secs Computing kpt #: 111 total cpu time spent up to now is 93.8 secs Computing kpt #: 112 total cpu time spent up to now is 94.6 secs Computing kpt #: 113 total cpu time spent up to now is 95.3 secs Computing kpt #: 114 total cpu time spent up to now is 96.1 secs Computing kpt #: 115 total cpu time spent up to now is 97.0 secs Computing kpt #: 116 total cpu time spent up to now is 97.9 secs Computing kpt #: 117 total cpu time spent up to now is 98.7 secs Computing kpt #: 118 total cpu time spent up to now is 99.5 secs Computing kpt #: 119 total cpu time spent up to now is 100.4 secs Computing kpt #: 120 total cpu time spent up to now is 101.2 secs Computing kpt #: 121 total cpu time spent up to now is 102.1 secs Computing kpt #: 122 total cpu time spent up to now is 103.0 secs Computing kpt #: 123 total cpu time spent up to now is 103.9 secs Computing kpt #: 124 total cpu time spent up to now is 104.8 secs Computing kpt #: 125 total cpu time spent up to now is 105.6 secs Computing kpt #: 126 total cpu time spent up to now is 106.5 secs Computing kpt #: 127 total cpu time spent up to now is 107.5 secs Computing kpt #: 128 total cpu time spent up to now is 108.4 secs Computing kpt #: 129 total cpu time spent up to now is 109.3 secs Computing kpt #: 130 total cpu time spent up to now is 110.2 secs Computing kpt #: 131 total cpu time spent up to now is 111.0 secs Computing kpt #: 132 total cpu time spent up to now is 111.9 secs Computing kpt #: 133 total cpu time spent up to now is 112.8 secs Computing kpt #: 134 total cpu time spent up to now is 113.7 secs Computing kpt #: 135 total cpu time spent up to now is 114.6 secs Computing kpt #: 136 total cpu time spent up to now is 115.5 secs Computing kpt #: 137 total cpu time spent up to now is 116.4 secs Computing kpt #: 138 total cpu time spent up to now is 117.3 secs Computing kpt #: 139 total cpu time spent up to now is 118.2 secs Computing kpt #: 140 total cpu time spent up to now is 119.1 secs Computing kpt #: 141 total cpu time spent up to now is 120.1 secs Computing kpt #: 142 total cpu time spent up to now is 121.0 secs Computing kpt #: 143 total cpu time spent up to now is 121.8 secs Computing kpt #: 144 total cpu time spent up to now is 122.7 secs Computing kpt #: 145 total cpu time spent up to now is 123.6 secs Computing kpt #: 146 total cpu time spent up to now is 124.5 secs Computing kpt #: 147 total cpu time spent up to now is 125.4 secs Computing kpt #: 148 total cpu time spent up to now is 126.3 secs Computing kpt #: 149 total cpu time spent up to now is 127.1 secs Computing kpt #: 150 total cpu time spent up to now is 127.9 secs Computing kpt #: 151 total cpu time spent up to now is 128.8 secs Computing kpt #: 152 total cpu time spent up to now is 129.7 secs Computing kpt #: 153 total cpu time spent up to now is 130.6 secs Computing kpt #: 154 total cpu time spent up to now is 131.5 secs Computing kpt #: 155 total cpu time spent up to now is 132.4 secs Computing kpt #: 156 total cpu time spent up to now is 133.2 secs Computing kpt #: 157 total cpu time spent up to now is 134.0 secs Computing kpt #: 158 total cpu time spent up to now is 134.8 secs Computing kpt #: 159 total cpu time spent up to now is 135.6 secs Computing kpt #: 160 total cpu time spent up to now is 136.4 secs Computing kpt #: 161 total cpu time spent up to now is 137.1 secs Computing kpt #: 162 total cpu time spent up to now is 137.9 secs Computing kpt #: 163 total cpu time spent up to now is 138.7 secs Computing kpt #: 164 total cpu time spent up to now is 139.5 secs Computing kpt #: 165 total cpu time spent up to now is 140.3 secs Computing kpt #: 166 total cpu time spent up to now is 141.1 secs Computing kpt #: 167 total cpu time spent up to now is 141.8 secs Computing kpt #: 168 total cpu time spent up to now is 142.6 secs Computing kpt #: 169 total cpu time spent up to now is 143.3 secs Computing kpt #: 170 total cpu time spent up to now is 144.1 secs Computing kpt #: 171 total cpu time spent up to now is 144.9 secs Computing kpt #: 172 total cpu time spent up to now is 145.7 secs Computing kpt #: 173 total cpu time spent up to now is 146.5 secs Computing kpt #: 174 total cpu time spent up to now is 147.4 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 149.1 secs Computing kpt #: 177 total cpu time spent up to now is 150.0 secs Computing kpt #: 178 total cpu time spent up to now is 150.9 secs Computing kpt #: 179 total cpu time spent up to now is 151.8 secs Computing kpt #: 180 total cpu time spent up to now is 152.6 secs Computing kpt #: 181 total cpu time spent up to now is 153.5 secs Computing kpt #: 182 total cpu time spent up to now is 154.4 secs Computing kpt #: 183 total cpu time spent up to now is 155.3 secs Computing kpt #: 184 total cpu time spent up to now is 156.1 secs Computing kpt #: 185 total cpu time spent up to now is 157.0 secs Computing kpt #: 186 total cpu time spent up to now is 157.9 secs Computing kpt #: 187 total cpu time spent up to now is 158.8 secs Computing kpt #: 188 total cpu time spent up to now is 159.7 secs Computing kpt #: 189 total cpu time spent up to now is 160.5 secs Computing kpt #: 190 total cpu time spent up to now is 161.4 secs Computing kpt #: 191 total cpu time spent up to now is 162.3 secs Computing kpt #: 192 total cpu time spent up to now is 163.1 secs Computing kpt #: 193 total cpu time spent up to now is 164.0 secs Computing kpt #: 194 total cpu time spent up to now is 164.9 secs Computing kpt #: 195 total cpu time spent up to now is 165.7 secs Computing kpt #: 196 total cpu time spent up to now is 166.6 secs Computing kpt #: 197 total cpu time spent up to now is 167.5 secs Computing kpt #: 198 total cpu time spent up to now is 168.5 secs Computing kpt #: 199 total cpu time spent up to now is 169.4 secs Computing kpt #: 200 total cpu time spent up to now is 170.3 secs Computing kpt #: 201 total cpu time spent up to now is 171.2 secs Computing kpt #: 202 total cpu time spent up to now is 172.1 secs Computing kpt #: 203 total cpu time spent up to now is 172.9 secs Computing kpt #: 204 total cpu time spent up to now is 173.8 secs Computing kpt #: 205 total cpu time spent up to now is 174.7 secs Computing kpt #: 206 total cpu time spent up to now is 175.6 secs Computing kpt #: 207 total cpu time spent up to now is 176.5 secs Computing kpt #: 208 total cpu time spent up to now is 177.4 secs Computing kpt #: 209 total cpu time spent up to now is 178.3 secs Computing kpt #: 210 total cpu time spent up to now is 179.2 secs Computing kpt #: 211 total cpu time spent up to now is 180.1 secs Computing kpt #: 212 total cpu time spent up to now is 181.0 secs Computing kpt #: 213 total cpu time spent up to now is 181.9 secs Computing kpt #: 214 total cpu time spent up to now is 182.7 secs Computing kpt #: 215 total cpu time spent up to now is 183.7 secs Computing kpt #: 216 total cpu time spent up to now is 184.5 secs Computing kpt #: 217 total cpu time spent up to now is 185.4 secs Computing kpt #: 218 total cpu time spent up to now is 186.3 secs Computing kpt #: 219 total cpu time spent up to now is 187.3 secs Computing kpt #: 220 total cpu time spent up to now is 188.1 secs Computing kpt #: 221 total cpu time spent up to now is 189.0 secs Computing kpt #: 222 total cpu time spent up to now is 189.9 secs Computing kpt #: 223 total cpu time spent up to now is 190.7 secs Computing kpt #: 224 total cpu time spent up to now is 191.7 secs Computing kpt #: 225 total cpu time spent up to now is 192.5 secs Computing kpt #: 226 total cpu time spent up to now is 193.4 secs Computing kpt #: 227 total cpu time spent up to now is 194.3 secs Computing kpt #: 228 total cpu time spent up to now is 195.3 secs Computing kpt #: 229 total cpu time spent up to now is 196.0 secs Computing kpt #: 230 total cpu time spent up to now is 196.9 secs Computing kpt #: 231 total cpu time spent up to now is 197.7 secs Computing kpt #: 232 total cpu time spent up to now is 198.5 secs Computing kpt #: 233 total cpu time spent up to now is 199.3 secs Computing kpt #: 234 total cpu time spent up to now is 200.0 secs Computing kpt #: 235 total cpu time spent up to now is 200.8 secs Computing kpt #: 236 total cpu time spent up to now is 201.5 secs Computing kpt #: 237 total cpu time spent up to now is 202.3 secs Computing kpt #: 238 total cpu time spent up to now is 203.1 secs Computing kpt #: 239 total cpu time spent up to now is 203.9 secs Computing kpt #: 240 total cpu time spent up to now is 204.7 secs Computing kpt #: 241 total cpu time spent up to now is 205.4 secs Computing kpt #: 242 total cpu time spent up to now is 206.2 secs Computing kpt #: 243 total cpu time spent up to now is 207.0 secs Computing kpt #: 244 total cpu time spent up to now is 207.8 secs Computing kpt #: 245 total cpu time spent up to now is 208.6 secs Computing kpt #: 246 total cpu time spent up to now is 209.4 secs Computing kpt #: 247 total cpu time spent up to now is 210.2 secs Computing kpt #: 248 total cpu time spent up to now is 211.1 secs Computing kpt #: 249 total cpu time spent up to now is 212.0 secs Computing kpt #: 250 total cpu time spent up to now is 212.8 secs Computing kpt #: 251 total cpu time spent up to now is 213.6 secs Computing kpt #: 252 total cpu time spent up to now is 214.4 secs Computing kpt #: 253 total cpu time spent up to now is 215.2 secs Computing kpt #: 254 total cpu time spent up to now is 215.9 secs Computing kpt #: 255 total cpu time spent up to now is 216.7 secs Computing kpt #: 256 total cpu time spent up to now is 217.5 secs Computing kpt #: 257 total cpu time spent up to now is 218.3 secs Computing kpt #: 258 total cpu time spent up to now is 219.2 secs Computing kpt #: 259 total cpu time spent up to now is 220.0 secs Computing kpt #: 260 total cpu time spent up to now is 220.8 secs Computing kpt #: 261 total cpu time spent up to now is 221.6 secs Computing kpt #: 262 total cpu time spent up to now is 222.4 secs Computing kpt #: 263 total cpu time spent up to now is 223.2 secs Computing kpt #: 264 total cpu time spent up to now is 224.0 secs Computing kpt #: 265 total cpu time spent up to now is 224.8 secs Computing kpt #: 266 total cpu time spent up to now is 225.6 secs Computing kpt #: 267 total cpu time spent up to now is 226.4 secs Computing kpt #: 268 total cpu time spent up to now is 227.2 secs Computing kpt #: 269 total cpu time spent up to now is 228.0 secs Computing kpt #: 270 total cpu time spent up to now is 228.9 secs Computing kpt #: 271 total cpu time spent up to now is 229.6 secs Computing kpt #: 272 total cpu time spent up to now is 230.6 secs Computing kpt #: 273 total cpu time spent up to now is 231.5 secs Computing kpt #: 274 total cpu time spent up to now is 232.3 secs Computing kpt #: 275 total cpu time spent up to now is 233.2 secs Computing kpt #: 276 total cpu time spent up to now is 234.1 secs Computing kpt #: 277 total cpu time spent up to now is 235.0 secs Computing kpt #: 278 total cpu time spent up to now is 235.8 secs Computing kpt #: 279 total cpu time spent up to now is 236.6 secs Computing kpt #: 280 total cpu time spent up to now is 237.5 secs Computing kpt #: 281 total cpu time spent up to now is 238.4 secs Computing kpt #: 282 total cpu time spent up to now is 239.3 secs Computing kpt #: 283 total cpu time spent up to now is 240.3 secs Computing kpt #: 284 total cpu time spent up to now is 241.2 secs Computing kpt #: 285 total cpu time spent up to now is 242.1 secs Computing kpt #: 286 total cpu time spent up to now is 243.0 secs Computing kpt #: 287 total cpu time spent up to now is 243.8 secs Computing kpt #: 288 total cpu time spent up to now is 244.7 secs Computing kpt #: 289 total cpu time spent up to now is 245.5 secs Computing kpt #: 290 total cpu time spent up to now is 246.4 secs Computing kpt #: 291 total cpu time spent up to now is 247.3 secs Computing kpt #: 292 total cpu time spent up to now is 248.1 secs Computing kpt #: 293 total cpu time spent up to now is 249.0 secs Computing kpt #: 294 total cpu time spent up to now is 249.8 secs Computing kpt #: 295 total cpu time spent up to now is 250.7 secs Computing kpt #: 296 total cpu time spent up to now is 251.7 secs Computing kpt #: 297 total cpu time spent up to now is 252.5 secs Computing kpt #: 298 total cpu time spent up to now is 253.5 secs Computing kpt #: 299 total cpu time spent up to now is 254.4 secs Computing kpt #: 300 total cpu time spent up to now is 255.2 secs Computing kpt #: 301 total cpu time spent up to now is 256.1 secs Computing kpt #: 302 total cpu time spent up to now is 256.9 secs Computing kpt #: 303 total cpu time spent up to now is 257.7 secs Computing kpt #: 304 total cpu time spent up to now is 258.7 secs Computing kpt #: 305 total cpu time spent up to now is 259.5 secs Computing kpt #: 306 total cpu time spent up to now is 260.4 secs Computing kpt #: 307 total cpu time spent up to now is 261.2 secs Computing kpt #: 308 total cpu time spent up to now is 262.0 secs Computing kpt #: 309 total cpu time spent up to now is 262.8 secs Computing kpt #: 310 total cpu time spent up to now is 263.6 secs Computing kpt #: 311 total cpu time spent up to now is 264.4 secs Computing kpt #: 312 total cpu time spent up to now is 265.2 secs Computing kpt #: 313 total cpu time spent up to now is 266.0 secs Computing kpt #: 314 total cpu time spent up to now is 266.8 secs Computing kpt #: 315 total cpu time spent up to now is 267.6 secs Computing kpt #: 316 total cpu time spent up to now is 268.3 secs Computing kpt #: 317 total cpu time spent up to now is 269.2 secs Computing kpt #: 318 total cpu time spent up to now is 269.9 secs Computing kpt #: 319 total cpu time spent up to now is 270.8 secs Computing kpt #: 320 total cpu time spent up to now is 271.6 secs Computing kpt #: 321 total cpu time spent up to now is 272.4 secs Computing kpt #: 322 total cpu time spent up to now is 273.2 secs Computing kpt #: 323 total cpu time spent up to now is 274.0 secs Computing kpt #: 324 total cpu time spent up to now is 274.8 secs Computing kpt #: 325 total cpu time spent up to now is 275.7 secs Computing kpt #: 326 total cpu time spent up to now is 276.5 secs Computing kpt #: 327 total cpu time spent up to now is 277.4 secs Computing kpt #: 328 total cpu time spent up to now is 278.3 secs Computing kpt #: 329 total cpu time spent up to now is 279.2 secs Computing kpt #: 330 total cpu time spent up to now is 280.0 secs Computing kpt #: 331 total cpu time spent up to now is 280.9 secs Computing kpt #: 332 total cpu time spent up to now is 281.8 secs Computing kpt #: 333 total cpu time spent up to now is 282.8 secs Computing kpt #: 334 total cpu time spent up to now is 283.7 secs Computing kpt #: 335 total cpu time spent up to now is 284.6 secs Computing kpt #: 336 total cpu time spent up to now is 285.5 secs Computing kpt #: 337 total cpu time spent up to now is 286.5 secs Computing kpt #: 338 total cpu time spent up to now is 287.4 secs Computing kpt #: 339 total cpu time spent up to now is 288.3 secs Computing kpt #: 340 total cpu time spent up to now is 289.2 secs Computing kpt #: 341 total cpu time spent up to now is 290.1 secs Computing kpt #: 342 total cpu time spent up to now is 291.2 secs Computing kpt #: 343 total cpu time spent up to now is 292.1 secs Computing kpt #: 344 total cpu time spent up to now is 293.0 secs Computing kpt #: 345 total cpu time spent up to now is 293.9 secs Computing kpt #: 346 total cpu time spent up to now is 294.8 secs Computing kpt #: 347 total cpu time spent up to now is 295.7 secs Computing kpt #: 348 total cpu time spent up to now is 296.6 secs Computing kpt #: 349 total cpu time spent up to now is 297.5 secs Computing kpt #: 350 total cpu time spent up to now is 298.4 secs Computing kpt #: 351 total cpu time spent up to now is 299.3 secs Computing kpt #: 352 total cpu time spent up to now is 300.1 secs Computing kpt #: 353 total cpu time spent up to now is 301.1 secs Computing kpt #: 354 total cpu time spent up to now is 301.9 secs Computing kpt #: 355 total cpu time spent up to now is 302.9 secs Computing kpt #: 356 total cpu time spent up to now is 303.8 secs Computing kpt #: 357 total cpu time spent up to now is 304.7 secs Computing kpt #: 358 total cpu time spent up to now is 305.6 secs ethr = 2.08E-08, avg # of iterations = 20.8 total cpu time spent up to now is 305.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5207 PWs) bands (ev): -22.3061 -22.3061 -22.2635 -22.2635 -16.1904 -16.1904 -16.1630 -16.1630 -13.3750 -13.3750 -12.9132 -12.9132 -7.0992 -7.0992 -6.9237 -6.9237 -6.3418 -6.3418 -6.1318 -6.1318 -6.0907 -6.0907 -5.9857 -5.9857 -4.2335 -4.2335 -4.1264 -4.1264 -2.7397 -2.7397 -1.0564 -1.0564 -0.7881 -0.7881 0.8831 0.8831 1.0828 1.0828 1.1772 1.1772 1.6627 1.6627 1.9250 1.9250 2.1140 2.1140 2.2211 2.2211 4.5943 4.5943 8.6984 8.6984 9.1579 9.1579 9.4550 9.4550 10.1322 10.1322 k = 0.0064 0.0176-0.0000 ( 5195 PWs) bands (ev): -22.3060 -22.3060 -22.2635 -22.2635 -16.1902 -16.1902 -16.1628 -16.1628 -13.3755 -13.3755 -12.9135 -12.9135 -7.1000 -7.0988 -6.9246 -6.9234 -6.3426 -6.3413 -6.1350 -6.1303 -6.0931 -6.0882 -5.9868 -5.9854 -4.2325 -4.2325 -4.1275 -4.1256 -2.7388 -2.7381 -1.0570 -1.0559 -0.7892 -0.7874 0.8830 0.8832 1.0830 1.0831 1.1770 1.1774 1.6625 1.6630 1.9237 1.9238 2.1135 2.1137 2.2208 2.2208 4.5961 4.5963 8.6995 8.6995 9.1585 9.1589 9.4553 9.4553 10.1346 10.1349 k = 0.0129 0.0352-0.0000 ( 5183 PWs) bands (ev): -22.3059 -22.3059 -22.2634 -22.2634 -16.1894 -16.1894 -16.1621 -16.1621 -13.3768 -13.3768 -12.9147 -12.9146 -7.1010 -7.0987 -6.9260 -6.9235 -6.3439 -6.3414 -6.1395 -6.1307 -6.0950 -6.0858 -5.9887 -5.9860 -4.2296 -4.2296 -4.1289 -4.1252 -2.7355 -2.7342 -1.0577 -1.0554 -0.7906 -0.7872 0.8829 0.8833 1.0836 1.0838 1.1767 1.1776 1.6624 1.6635 1.9201 1.9201 2.1121 2.1125 2.2198 2.2199 4.6018 4.6021 8.7027 8.7028 9.1605 9.1615 9.4561 9.4563 10.1421 10.1427 k = 0.0193 0.0528-0.0000 ( 5191 PWs) bands (ev): -22.3056 -22.3056 -22.2633 -22.2633 -16.1881 -16.1881 -16.1610 -16.1610 -13.3790 -13.3790 -12.9165 -12.9165 -7.1024 -7.0989 -6.9278 -6.9242 -6.3456 -6.3418 -6.1451 -6.1333 -6.0963 -6.0838 -5.9915 -5.9873 -4.2249 -4.2249 -4.1306 -4.1252 -2.7299 -2.7280 -1.0585 -1.0551 -0.7925 -0.7874 0.8828 0.8834 1.0847 1.0849 1.1764 1.1777 1.6626 1.6642 1.9140 1.9141 2.1100 2.1105 2.2181 2.2183 4.6110 4.6115 8.7080 8.7081 9.1641 9.1655 9.4574 9.4577 10.1546 10.1556 k = 0.0258 0.0704-0.0000 ( 5197 PWs) bands (ev): -22.3052 -22.3052 -22.2631 -22.2631 -16.1863 -16.1863 -16.1594 -16.1594 -13.3821 -13.3821 -12.9191 -12.9190 -7.1041 -7.0995 -6.9302 -6.9253 -6.3477 -6.3428 -6.1516 -6.1377 -6.0970 -6.0824 -5.9950 -5.9893 -4.2183 -4.2183 -4.1326 -4.1255 -2.7219 -2.7195 -1.0593 -1.0549 -0.7949 -0.7881 0.8827 0.8835 1.0861 1.0864 1.1761 1.1777 1.6629 1.6650 1.9058 1.9059 2.1071 2.1078 2.2158 2.2160 4.6238 4.6245 8.7155 8.7155 9.1692 9.1710 9.4587 9.4591 10.1723 10.1736 k = 0.0322 0.0879-0.0000 ( 5193 PWs) bands (ev): -22.3047 -22.3047 -22.2629 -22.2629 -16.1841 -16.1841 -16.1574 -16.1574 -13.3860 -13.3860 -12.9224 -12.9223 -7.1061 -7.1004 -6.9330 -6.9269 -6.3500 -6.3441 -6.1589 -6.1438 -6.0975 -6.0815 -5.9993 -5.9921 -4.2101 -4.2100 -4.1348 -4.1263 -2.7117 -2.7087 -1.0604 -1.0549 -0.7977 -0.7893 0.8827 0.8837 1.0880 1.0884 1.1757 1.1778 1.6634 1.6661 1.8956 1.8957 2.1035 2.1044 2.2129 2.2132 4.6399 4.6408 8.7250 8.7250 9.1755 9.1778 9.4596 9.4601 10.1951 10.1966 k = 0.0387 0.1055-0.0000 ( 5185 PWs) bands (ev): -22.3041 -22.3041 -22.2627 -22.2627 -16.1813 -16.1813 -16.1550 -16.1549 -13.3907 -13.3907 -12.9264 -12.9263 -7.1083 -7.1015 -6.9362 -6.9290 -6.3526 -6.3457 -6.1670 -6.1511 -6.0980 -6.0812 -6.0044 -5.9956 -4.2004 -4.2001 -4.1371 -4.1273 -2.6992 -2.6957 -1.0617 -1.0551 -0.8011 -0.7911 0.8827 0.8838 1.0903 1.0908 1.1754 1.1778 1.6642 1.6674 1.8837 1.8839 2.0994 2.1004 2.2094 2.2098 4.6592 4.6602 8.7365 8.7366 9.1832 9.1858 9.4594 9.4601 10.2228 10.2244 k = 0.0451 0.1231-0.0000 ( 5195 PWs) bands (ev): -22.3035 -22.3035 -22.2624 -22.2624 -16.1781 -16.1781 -16.1521 -16.1521 -13.3962 -13.3962 -12.9311 -12.9310 -7.1109 -7.1030 -6.9398 -6.9316 -6.3553 -6.3477 -6.1757 -6.1594 -6.0987 -6.0815 -6.0101 -5.9997 -4.1894 -4.1887 -4.1395 -4.1288 -2.6847 -2.6807 -1.0633 -1.0558 -0.8052 -0.7936 0.8828 0.8840 1.0930 1.0935 1.1749 1.1777 1.6651 1.6689 1.8704 1.8706 2.0946 2.0958 2.2053 2.2057 4.6812 4.6824 8.7499 8.7501 9.1920 9.1950 9.4576 9.4584 10.2553 10.2567 k = 0.0516 0.1407-0.0000 ( 5191 PWs) bands (ev): -22.3027 -22.3027 -22.2620 -22.2620 -16.1744 -16.1744 -16.1489 -16.1488 -13.4026 -13.4026 -12.9364 -12.9363 -7.1137 -7.1047 -6.9438 -6.9345 -6.3582 -6.3500 -6.1849 -6.1684 -6.0997 -6.0824 -6.0165 -6.0044 -4.1777 -4.1760 -4.1415 -4.1306 -2.6681 -2.6637 -1.0654 -1.0569 -0.8099 -0.7968 0.8829 0.8843 1.0960 1.0967 1.1745 1.1776 1.6664 1.6706 1.8560 1.8562 2.0895 2.0909 2.2006 2.2011 4.7058 4.7071 8.7653 8.7654 9.2018 9.2051 9.4534 9.4543 10.2917 10.2928 k = 0.0580 0.1583-0.0000 ( 5183 PWs) bands (ev): -22.3018 -22.3018 -22.2617 -22.2617 -16.1703 -16.1703 -16.1452 -16.1452 -13.4096 -13.4096 -12.9423 -12.9422 -7.1167 -7.1067 -6.9482 -6.9379 -6.3611 -6.3525 -6.1945 -6.1780 -6.1010 -6.0840 -6.0234 -6.0095 -4.1667 -4.1624 -4.1419 -4.1325 -2.6496 -2.6449 -1.0679 -1.0585 -0.8153 -0.8009 0.8832 0.8846 1.0994 1.1002 1.1740 1.1775 1.6680 1.6727 1.8408 1.8411 2.0841 2.0856 2.1954 2.1960 4.7325 4.7340 8.7825 8.7826 9.2125 9.2162 9.4460 9.4472 10.3305 10.3305 k = 0.0644 0.1759-0.0000 ( 5179 PWs) bands (ev): -22.3008 -22.3008 -22.2613 -22.2613 -16.1658 -16.1658 -16.1412 -16.1412 -13.4174 -13.4174 -12.9489 -12.9487 -7.1199 -7.1089 -6.9529 -6.9417 -6.3640 -6.3551 -6.2046 -6.1881 -6.1028 -6.0861 -6.0307 -6.0151 -4.1603 -4.1488 -4.1368 -4.1337 -2.6294 -2.6243 -1.0710 -1.0607 -0.8216 -0.8059 0.8837 0.8851 1.1031 1.1041 1.1736 1.1773 1.6699 1.6751 1.8253 1.8255 2.0785 2.0801 2.1897 2.1904 4.7611 4.7627 8.8015 8.8016 9.2240 9.2280 9.4350 9.4364 10.3640 10.3661 k = 0.0709 0.1935-0.0000 ( 5189 PWs) bands (ev): -22.2998 -22.2998 -22.2609 -22.2609 -16.1609 -16.1608 -16.1369 -16.1368 -13.4259 -13.4259 -12.9559 -12.9558 -7.1234 -7.1113 -6.9579 -6.9458 -6.3667 -6.3577 -6.2150 -6.1985 -6.1049 -6.0888 -6.0384 -6.0211 -4.1602 -4.1424 -4.1274 -4.1248 -2.6076 -2.6022 -1.0748 -1.0638 -0.8289 -0.8119 0.8844 0.8858 1.1071 1.1083 1.1731 1.1771 1.6722 1.6778 1.8096 1.8099 2.0729 2.0746 2.1835 2.1843 4.7912 4.7929 8.8220 8.8221 9.2362 9.2404 9.4198 9.4215 10.3857 10.3888 k = 0.0773 0.2111-0.0000 ( 5187 PWs) bands (ev): -22.2987 -22.2987 -22.2604 -22.2604 -16.1556 -16.1555 -16.1323 -16.1322 -13.4350 -13.4350 -12.9635 -12.9634 -7.1269 -7.1139 -6.9631 -6.9501 -6.3693 -6.3604 -6.2256 -6.2091 -6.1075 -6.0921 -6.0463 -6.0274 -4.1628 -4.1442 -4.1124 -4.1096 -2.5843 -2.5786 -1.0794 -1.0676 -0.8371 -0.8190 0.8853 0.8867 1.1113 1.1128 1.1726 1.1769 1.6748 1.6809 1.7942 1.7945 2.0673 2.0691 2.1768 2.1778 4.8226 4.8244 8.8442 8.8442 9.2490 9.2533 9.4004 9.4024 10.3994 10.4008 k = 0.0838 0.2286-0.0000 ( 5175 PWs) bands (ev): -22.2975 -22.2975 -22.2599 -22.2599 -16.1499 -16.1499 -16.1273 -16.1272 -13.4447 -13.4447 -12.9716 -12.9715 -7.1306 -7.1166 -6.9685 -6.9548 -6.3716 -6.3631 -6.2364 -6.2199 -6.1104 -6.0960 -6.0542 -6.0338 -4.1663 -4.1476 -4.0957 -4.0932 -2.5596 -2.5538 -1.0849 -1.0724 -0.8465 -0.8273 0.8865 0.8878 1.1158 1.1175 1.1721 1.1766 1.6779 1.6843 1.7793 1.7796 2.0619 2.0638 2.1697 2.1708 4.8548 4.8567 8.8678 8.8678 9.2622 9.2666 9.3770 9.3793 10.3476 10.3549 k = 0.0902 0.2462-0.0000 ( 5179 PWs) bands (ev): -22.2962 -22.2962 -22.2595 -22.2595 -16.1440 -16.1439 -16.1221 -16.1220 -13.4550 -13.4549 -12.9801 -12.9800 -7.1344 -7.1194 -6.9741 -6.9597 -6.3737 -6.3656 -6.2472 -6.2307 -6.1136 -6.1006 -6.0620 -6.0404 -4.1704 -4.1516 -4.0785 -4.0761 -2.5338 -2.5278 -1.0913 -1.0781 -0.8570 -0.8369 0.8881 0.8893 1.1204 1.1225 1.1716 1.1764 1.6814 1.6881 1.7653 1.7656 2.0568 2.0588 2.1623 2.1636 4.8877 4.8897 8.8927 8.8927 9.2757 9.2799 9.3500 9.3529 10.2808 10.2870 k = 0.0967 0.2638-0.0000 ( 5179 PWs) bands (ev): -22.2949 -22.2949 -22.2590 -22.2590 -16.1377 -16.1377 -16.1167 -16.1166 -13.4657 -13.4656 -12.9890 -12.9888 -7.1382 -7.1223 -6.9798 -6.9648 -6.3755 -6.3680 -6.2581 -6.2413 -6.1172 -6.1060 -6.0694 -6.0471 -4.1747 -4.1560 -4.0610 -4.0588 -2.5069 -2.5008 -1.0986 -1.0849 -0.8687 -0.8478 0.8901 0.8911 1.1252 1.1276 1.1712 1.1761 1.6853 1.6921 1.7523 1.7527 2.0522 2.0542 2.1545 2.1560 4.9209 4.9229 8.9188 8.9188 9.2881 9.2909 9.3213 9.3260 10.2145 10.2200 k = 0.1031 0.2814-0.0000 ( 5173 PWs) bands (ev): -22.2936 -22.2936 -22.2585 -22.2585 -16.1312 -16.1312 -16.1111 -16.1110 -13.4768 -13.4768 -12.9982 -12.9980 -7.1420 -7.1252 -6.9856 -6.9700 -6.3769 -6.3702 -6.2688 -6.2519 -6.1210 -6.1120 -6.0764 -6.0537 -4.1793 -4.1608 -4.0436 -4.0415 -2.4792 -2.4730 -1.1071 -1.0929 -0.8816 -0.8600 0.8925 0.8934 1.1301 1.1328 1.1707 1.1758 1.6897 1.6964 1.7407 1.7413 2.0481 2.0501 2.1465 2.1482 4.9541 4.9563 8.9460 8.9461 9.2806 9.2810 9.3103 9.3178 10.1497 10.1545 k = 0.1096 0.2990-0.0000 ( 5179 PWs) bands (ev): -22.2922 -22.2922 -22.2580 -22.2580 -16.1245 -16.1245 -16.1053 -16.1052 -13.4883 -13.4883 -13.0077 -13.0075 -7.1457 -7.1281 -6.9915 -6.9753 -6.3779 -6.3722 -6.2794 -6.2621 -6.1251 -6.1188 -6.0829 -6.0603 -4.1841 -4.1658 -4.0264 -4.0244 -2.4507 -2.4445 -1.1166 -1.1020 -0.8959 -0.8736 0.8954 0.8961 1.1349 1.1381 1.1703 1.1756 1.6944 1.7006 1.7306 1.7318 2.0446 2.0466 2.1382 2.1401 4.9872 4.9894 8.9741 8.9743 9.2479 9.2493 9.3232 9.3299 10.0867 10.0910 k = 0.1160 0.3166-0.0000 ( 5175 PWs) bands (ev): -22.2907 -22.2907 -22.2575 -22.2575 -16.1177 -16.1176 -16.0994 -16.0993 -13.5001 -13.5001 -13.0174 -13.0172 -7.1494 -7.1309 -6.9973 -6.9807 -6.3785 -6.3739 -6.2898 -6.2720 -6.1294 -6.1262 -6.0888 -6.0667 -4.1890 -4.1711 -4.0096 -4.0077 -2.4217 -2.4154 -1.1273 -1.1122 -0.9115 -0.8887 0.8988 0.8994 1.1397 1.1434 1.1700 1.1754 1.6993 1.7039 1.7224 1.7254 2.0418 2.0438 2.1298 2.1320 5.0199 5.0221 9.0031 9.0033 9.2118 9.2137 9.3386 9.3451 10.0258 10.0297 k = 0.1224 0.3342-0.0000 ( 5175 PWs) bands (ev): -22.2892 -22.2892 -22.2570 -22.2570 -16.1107 -16.1106 -16.0934 -16.0933 -13.5122 -13.5122 -13.0272 -13.0270 -7.1529 -7.1337 -7.0032 -6.9862 -6.3788 -6.3753 -6.2998 -6.2815 -6.1340 -6.1339 -6.0942 -6.0730 -4.1940 -4.1766 -3.9933 -3.9915 -2.3923 -2.3860 -1.1390 -1.1236 -0.9283 -0.9052 0.9029 0.9032 1.1444 1.1486 1.1699 1.1753 1.7035 1.7042 1.7172 1.7238 2.0397 2.0417 2.1213 2.1237 5.0519 5.0542 9.0329 9.0331 9.1747 9.1769 9.3548 9.3613 9.9671 9.9707 k = 0.1289 0.3518-0.0000 ( 5177 PWs) bands (ev): -22.2877 -22.2877 -22.2566 -22.2566 -16.1036 -16.1035 -16.0873 -16.0872 -13.5244 -13.5244 -13.0371 -13.0369 -7.1562 -7.1362 -7.0089 -6.9916 -6.3786 -6.3764 -6.3094 -6.2904 -6.1420 -6.1385 -6.0991 -6.0790 -4.1992 -4.1824 -3.9777 -3.9761 -2.3627 -2.3563 -1.1517 -1.1361 -0.9465 -0.9231 0.9075 0.9077 1.1487 1.1536 1.1699 1.1753 1.7019 1.7043 1.7175 1.7271 2.0385 2.0403 2.1128 2.1154 5.0832 5.0854 9.0631 9.0635 9.1373 9.1396 9.3718 9.3783 9.9109 9.9143 k = 0.1353 0.3694-0.0000 ( 5181 PWs) bands (ev): -22.2862 -22.2862 -22.2561 -22.2561 -16.0965 -16.0964 -16.0812 -16.0811 -13.5367 -13.5367 -13.0471 -13.0469 -7.1593 -7.1387 -7.0146 -6.9970 -6.3781 -6.3772 -6.3185 -6.2987 -6.1501 -6.1433 -6.1038 -6.0849 -4.2045 -4.1883 -3.9630 -3.9615 -2.3329 -2.3266 -1.1655 -1.1496 -0.9659 -0.9423 0.9127 0.9128 1.1526 1.1582 1.1702 1.1755 1.6993 1.7026 1.7227 1.7329 2.0381 2.0398 2.1043 2.1072 5.1135 5.1158 9.0939 9.0942 9.1002 9.1025 9.3895 9.3960 9.8572 9.8604 k = 0.1418 0.3869-0.0000 ( 5185 PWs) bands (ev): -22.2847 -22.2847 -22.2557 -22.2557 -16.0893 -16.0893 -16.0752 -16.0751 -13.5490 -13.5490 -13.0570 -13.0568 -7.1622 -7.1408 -7.0201 -7.0022 -6.3777 -6.3772 -6.3270 -6.3063 -6.1581 -6.1480 -6.1082 -6.0905 -4.2098 -4.1944 -3.9493 -3.9479 -2.3032 -2.2969 -1.1802 -1.1641 -0.9866 -0.9629 0.9185 0.9187 1.1558 1.1623 1.1711 1.1762 1.6977 1.7014 1.7297 1.7398 2.0384 2.0400 2.0959 2.0991 5.1427 5.1450 9.0634 9.0659 9.1249 9.1254 9.4080 9.4145 9.8062 9.8092 k = 0.1482 0.4045-0.0000 ( 5185 PWs) bands (ev): -22.2831 -22.2831 -22.2553 -22.2553 -16.0822 -16.0822 -16.0692 -16.0691 -13.5613 -13.5612 -13.0669 -13.0666 -7.1648 -7.1428 -7.0255 -7.0074 -6.3778 -6.3761 -6.3347 -6.3132 -6.1659 -6.1527 -6.1123 -6.0959 -4.2152 -4.2006 -3.9367 -3.9353 -2.2736 -2.2674 -1.1957 -1.1795 -1.0084 -0.9847 0.9249 0.9253 1.1581 1.1654 1.1726 1.1776 1.6976 1.7016 1.7375 1.7474 2.0396 2.0410 2.0878 2.0912 5.1707 5.1729 9.0277 9.0301 9.1561 9.1566 9.4274 9.4339 9.7578 9.7608 k = 0.1547 0.4221-0.0000 ( 5183 PWs) bands (ev): -22.2816 -22.2816 -22.2550 -22.2550 -16.0753 -16.0752 -16.0633 -16.0632 -13.5733 -13.5733 -13.0765 -13.0763 -7.1670 -7.1444 -7.0306 -7.0124 -6.3777 -6.3749 -6.3416 -6.3192 -6.1733 -6.1573 -6.1163 -6.1011 -4.2205 -4.2069 -3.9253 -3.9240 -2.2444 -2.2383 -1.2119 -1.1956 -1.0312 -1.0077 0.9319 0.9325 1.1594 1.1673 1.1747 1.1798 1.6989 1.7035 1.7459 1.7556 2.0416 2.0426 2.0799 2.0836 5.1974 5.1995 8.9930 8.9954 9.1872 9.1878 9.4477 9.4542 9.7124 9.7152 k = 0.1611 0.4397-0.0000 ( 5187 PWs) bands (ev): -22.2801 -22.2801 -22.2547 -22.2547 -16.0684 -16.0683 -16.0576 -16.0575 -13.5852 -13.5852 -13.0860 -13.0858 -7.1688 -7.1457 -7.0355 -7.0172 -6.3774 -6.3738 -6.3472 -6.3242 -6.1803 -6.1618 -6.1202 -6.1061 -4.2260 -4.2133 -3.9151 -3.9140 -2.2156 -2.2096 -1.2287 -1.2123 -1.0550 -1.0317 0.9395 0.9404 1.1601 1.1684 1.1772 1.1826 1.7019 1.7069 1.7548 1.7643 2.0443 2.0449 2.0725 2.0763 5.2226 5.2247 8.9596 8.9620 9.2181 9.2188 9.4690 9.4755 9.6700 9.6727 k = 0.1676 0.4573-0.0000 ( 5191 PWs) bands (ev): -22.2786 -22.2786 -22.2544 -22.2544 -16.0618 -16.0617 -16.0521 -16.0519 -13.5968 -13.5967 -13.0951 -13.0949 -7.1703 -7.1466 -7.0401 -7.0218 -6.3768 -6.3732 -6.3513 -6.3283 -6.1867 -6.1661 -6.1239 -6.1110 -4.2314 -4.2196 -3.9063 -3.9053 -2.1875 -2.1816 -1.2460 -1.2295 -1.0796 -1.0566 0.9477 0.9487 1.1604 1.1689 1.1796 1.1856 1.7063 1.7118 1.7641 1.7734 2.0474 2.0476 2.0658 2.0694 5.2462 5.2483 8.9277 8.9301 9.2485 9.2492 9.4914 9.4978 9.6307 9.6335 k = 0.1740 0.4749-0.0000 ( 5181 PWs) bands (ev): -22.2771 -22.2771 -22.2542 -22.2542 -16.0554 -16.0553 -16.0467 -16.0466 -13.6080 -13.6079 -13.1039 -13.1037 -7.1713 -7.1472 -7.0445 -7.0262 -6.3760 -6.3736 -6.3533 -6.3313 -6.1926 -6.1702 -6.1275 -6.1157 -4.2367 -4.2260 -3.8990 -3.8980 -2.1601 -2.1544 -1.2635 -1.2470 -1.1049 -1.0821 0.9565 0.9576 1.1604 1.1691 1.1819 1.1884 1.7121 1.7182 1.7739 1.7829 2.0493 2.0514 2.0607 2.0630 5.2683 5.2703 8.8974 8.8997 9.2779 9.2787 9.5150 9.5214 9.5951 9.5978 k = 0.1805 0.4925-0.0000 ( 5173 PWs) bands (ev): -22.2757 -22.2757 -22.2540 -22.2540 -16.0493 -16.0492 -16.0417 -16.0416 -13.6187 -13.6186 -13.1123 -13.1121 -7.1718 -7.1474 -7.0485 -7.0303 -6.3750 -6.3750 -6.3532 -6.3332 -6.1977 -6.1740 -6.1310 -6.1202 -4.2420 -4.2324 -3.8930 -3.8922 -2.1336 -2.1280 -1.2812 -1.2646 -1.1306 -1.1083 0.9657 0.9669 1.1603 1.1692 1.1838 1.1908 1.7193 1.7260 1.7841 1.7928 2.0479 2.0556 2.0572 2.0600 5.2887 5.2907 8.8688 8.8710 9.3059 9.3067 9.5399 9.5457 9.5639 9.5662 k = 0.1869 0.5101-0.0000 ( 5175 PWs) bands (ev): -22.2743 -22.2743 -22.2539 -22.2539 -16.0435 -16.0435 -16.0370 -16.0368 -13.6288 -13.6288 -13.1201 -13.1199 -7.1719 -7.1471 -7.0523 -7.0342 -6.3769 -6.3738 -6.3516 -6.3340 -6.2022 -6.1776 -6.1344 -6.1246 -4.2472 -4.2386 -3.8885 -3.8878 -2.1081 -2.1028 -1.2989 -1.2823 -1.1565 -1.1347 0.9753 0.9765 1.1601 1.1693 1.1852 1.1927 1.7276 1.7350 1.7946 1.8028 2.0437 2.0517 2.0606 2.0630 5.3075 5.3093 8.8420 8.8440 9.3312 9.3319 9.5363 9.5399 9.5662 9.5730 k = 0.1933 0.5276-0.0000 ( 5165 PWs) bands (ev): -22.2730 -22.2730 -22.2539 -22.2539 -16.0382 -16.0381 -16.0326 -16.0325 -13.6384 -13.6383 -13.1275 -13.1273 -7.1714 -7.1464 -7.0556 -7.0377 -6.3787 -6.3724 -6.3490 -6.3337 -6.2059 -6.1808 -6.1378 -6.1289 -4.2523 -4.2448 -3.8855 -3.8849 -2.0840 -2.0789 -1.3163 -1.2997 -1.1825 -1.1612 0.9851 0.9864 1.1599 1.1693 1.1861 1.1941 1.7372 1.7451 1.8052 1.8131 2.0392 2.0471 2.0656 2.0673 5.3244 5.3262 8.8169 8.8187 9.3518 9.3524 9.5171 9.5207 9.5939 9.6005 k = 0.1998 0.5452-0.0000 ( 5165 PWs) bands (ev): -22.2717 -22.2717 -22.2539 -22.2539 -16.0333 -16.0332 -16.0286 -16.0285 -13.6472 -13.6472 -13.1342 -13.1341 -7.1704 -7.1453 -7.0587 -7.0410 -6.3799 -6.3707 -6.3460 -6.3324 -6.2088 -6.1837 -6.1410 -6.1332 -4.2573 -4.2508 -3.8840 -3.8835 -2.0614 -2.0566 -1.3335 -1.3168 -1.2082 -1.1875 0.9950 0.9963 1.1597 1.1694 1.1865 1.1949 1.7477 1.7563 1.8161 1.8235 2.0351 2.0432 2.0709 2.0721 5.3396 5.3413 8.7936 8.7953 9.3646 9.3652 9.5077 9.5115 9.6232 9.6296 k = 0.2062 0.5628-0.0000 ( 5161 PWs) bands (ev): -22.2704 -22.2704 -22.2540 -22.2540 -16.0289 -16.0288 -16.0250 -16.0249 -13.6553 -13.6553 -13.1403 -13.1402 -7.1690 -7.1438 -7.0613 -7.0440 -6.3805 -6.3687 -6.3426 -6.3302 -6.2109 -6.1862 -6.1442 -6.1373 -4.2621 -4.2567 -3.8839 -3.8835 -2.0404 -2.0360 -1.3501 -1.3334 -1.2333 -1.2132 1.0050 1.0061 1.1596 1.1695 1.1862 1.1950 1.7591 1.7683 1.8269 1.8338 2.0316 2.0400 2.0763 2.0772 5.3530 5.3546 8.7722 8.7737 9.3674 9.3680 9.5107 9.5146 9.6540 9.6604 k = 0.2127 0.5804-0.0000 ( 5165 PWs) bands (ev): -22.2692 -22.2692 -22.2542 -22.2542 -16.0250 -16.0250 -16.0218 -16.0217 -13.6626 -13.6625 -13.1457 -13.1456 -7.1669 -7.1418 -7.0636 -7.0467 -6.3803 -6.3662 -6.3390 -6.3272 -6.2121 -6.1884 -6.1473 -6.1414 -4.2668 -4.2623 -3.8852 -3.8849 -2.0215 -2.0174 -1.3660 -1.3493 -1.2574 -1.2380 1.0148 1.0158 1.1594 1.1696 1.1855 1.1945 1.7713 1.7811 1.8376 1.8440 2.0288 2.0375 2.0817 2.0823 5.3646 5.3660 8.7526 8.7539 9.3618 9.3624 9.5242 9.5283 9.6865 9.6928 k = 0.2191 0.5980-0.0000 ( 5161 PWs) bands (ev): -22.2681 -22.2681 -22.2544 -22.2544 -16.0217 -16.0216 -16.0191 -16.0190 -13.6689 -13.6689 -13.1504 -13.1503 -7.1643 -7.1393 -7.0656 -7.0490 -6.3793 -6.3632 -6.3354 -6.3235 -6.2125 -6.1902 -6.1504 -6.1455 -4.2712 -4.2677 -3.8879 -3.8876 -2.0049 -2.0012 -1.3811 -1.3644 -1.2801 -1.2613 1.0243 1.0250 1.1593 1.1699 1.1842 1.1934 1.7843 1.7945 1.8481 1.8539 2.0268 2.0358 2.0872 2.0874 5.3744 5.3757 8.7349 8.7359 9.3517 9.3525 9.5443 9.5484 9.7207 9.7269 k = 0.2256 0.6156-0.0000 ( 5153 PWs) bands (ev): -22.2671 -22.2671 -22.2547 -22.2547 -16.0190 -16.0189 -16.0169 -16.0168 -13.6744 -13.6743 -13.1543 -13.1542 -7.1612 -7.1364 -7.0672 -7.0511 -6.3774 -6.3596 -6.3317 -6.3192 -6.2120 -6.1917 -6.1533 -6.1495 -4.2754 -4.2728 -3.8918 -3.8916 -1.9910 -1.9878 -1.3952 -1.3786 -1.3011 -1.2829 1.0334 1.0336 1.1593 1.1702 1.1826 1.1918 1.7978 1.8086 1.8582 1.8633 2.0255 2.0348 2.0926 2.0926 5.3824 5.3836 8.7190 8.7197 9.3404 9.3412 9.5676 9.5718 9.7566 9.7627 k = 0.2320 0.6332-0.0000 ( 5149 PWs) bands (ev): -22.2661 -22.2661 -22.2551 -22.2551 -16.0170 -16.0169 -16.0152 -16.0151 -13.6788 -13.6787 -13.1574 -13.1573 -7.1575 -7.1331 -7.0685 -7.0529 -6.3747 -6.3554 -6.3279 -6.3144 -6.2107 -6.1928 -6.1562 -6.1534 -4.2793 -4.2776 -3.8969 -3.8968 -1.9802 -1.9775 -1.4082 -1.3917 -1.3197 -1.3020 1.0413 1.0416 1.1594 1.1706 1.1806 1.1897 1.8118 1.8230 1.8676 1.8720 2.0250 2.0345 2.0977 2.0981 5.3886 5.3897 8.7049 8.7054 9.3296 9.3305 9.5923 9.5968 9.7943 9.8003 k = 0.2385 0.6508-0.0000 ( 5151 PWs) bands (ev): -22.2652 -22.2652 -22.2556 -22.2556 -16.0156 -16.0155 -16.0141 -16.0140 -13.6822 -13.6821 -13.1597 -13.1596 -7.1533 -7.1293 -7.0695 -7.0544 -6.3711 -6.3506 -6.3242 -6.3091 -6.2087 -6.1936 -6.1590 -6.1573 -4.2829 -4.2821 -3.9032 -3.9031 -1.9729 -1.9708 -1.4199 -1.4036 -1.3356 -1.3183 1.0479 1.0490 1.1595 1.1710 1.1785 1.1872 1.8263 1.8378 1.8762 1.8799 2.0251 2.0348 2.1027 2.1035 5.3931 5.3940 8.6926 8.6928 9.3202 9.3210 9.6175 9.6222 9.8336 9.8396 k = 0.2449 0.6684-0.0000 ( 5149 PWs) bands (ev): -22.2644 -22.2644 -22.2561 -22.2561 -16.0148 -16.0148 -16.0135 -16.0134 -13.6845 -13.6845 -13.1611 -13.1611 -7.1486 -7.1251 -7.0701 -7.0557 -6.3667 -6.3452 -6.3204 -6.3034 -6.2059 -6.1940 -6.1617 -6.1612 -4.2863 -4.2862 -3.9104 -3.9104 -1.9695 -1.9679 -1.4302 -1.4142 -1.3483 -1.3313 1.0530 1.0551 1.1598 1.1716 1.1765 1.1846 1.8410 1.8528 1.8837 1.8866 2.0259 2.0358 2.1077 2.1089 5.3958 5.3965 8.6819 8.6820 9.3126 9.3133 9.6427 9.6477 9.8746 9.8807 k = 0.2513 0.6859-0.0000 ( 5144 PWs) bands (ev): -22.2636 -22.2636 -22.2567 -22.2567 -16.0148 -16.0147 -16.0134 -16.0133 -13.6858 -13.6857 -13.1617 -13.1616 -7.1433 -7.1206 -7.0705 -7.0567 -6.3616 -6.3392 -6.3166 -6.2974 -6.2025 -6.1941 -6.1650 -6.1643 -4.2899 -4.2892 -3.9185 -3.9185 -1.9701 -1.9691 -1.4389 -1.4234 -1.3574 -1.3406 1.0563 1.0598 1.1601 1.1721 1.1747 1.1820 1.8560 1.8680 1.8899 1.8919 2.0273 2.0372 2.1128 2.1144 5.3968 5.3974 8.6726 8.6731 9.3072 9.3077 9.6674 9.6728 9.9171 9.9233 k = 0.2578 0.7035-0.0000 ( 5150 PWs) bands (ev): -22.2630 -22.2630 -22.2574 -22.2574 -16.0155 -16.0154 -16.0139 -16.0138 -13.6859 -13.6858 -13.1614 -13.1613 -7.1376 -7.1157 -7.0706 -7.0575 -6.3557 -6.3326 -6.3127 -6.2911 -6.1985 -6.1938 -6.1687 -6.1668 -4.2931 -4.2919 -3.9275 -3.9275 -1.9749 -1.9745 -1.4461 -1.4313 -1.3626 -1.3459 1.0577 1.0627 1.1606 1.1727 1.1733 1.1797 1.8710 1.8832 1.8947 1.8958 2.0293 2.0391 2.1180 2.1200 5.3961 5.3966 8.6650 8.6658 9.3039 9.3042 9.6915 9.6973 9.9605 9.9672 k = 0.2642 0.7211-0.0000 ( 5160 PWs) bands (ev): -22.2624 -22.2624 -22.2582 -22.2582 -16.0168 -16.0167 -16.0149 -16.0148 -13.6849 -13.6849 -13.1602 -13.1602 -7.1314 -7.1105 -7.0704 -7.0581 -6.3491 -6.3255 -6.3088 -6.2846 -6.1940 -6.1932 -6.1723 -6.1691 -4.2959 -4.2941 -3.9370 -3.9370 -1.9842 -1.9839 -1.4518 -1.4376 -1.3639 -1.3471 1.0569 1.0637 1.1613 1.1723 1.1729 1.1781 1.8857 1.8964 1.8982 1.8995 2.0317 2.0414 2.1232 2.1257 5.3939 5.3943 8.6590 8.6601 9.3028 9.3029 9.7147 9.7210 10.0022 10.0110 k = 0.2707 0.7387-0.0000 ( 5160 PWs) bands (ev): -22.2619 -22.2619 -22.2590 -22.2590 -16.0189 -16.0188 -16.0165 -16.0164 -13.6828 -13.6828 -13.1582 -13.1581 -7.1248 -7.1049 -7.0700 -7.0585 -6.3419 -6.3180 -6.3049 -6.2779 -6.1923 -6.1891 -6.1758 -6.1712 -4.2982 -4.2960 -3.9471 -3.9471 -1.9978 -1.9969 -1.4558 -1.4423 -1.3612 -1.3445 1.0539 1.0626 1.1620 1.1719 1.1726 1.1775 1.8953 1.8982 1.9037 1.9136 2.0346 2.0440 2.1286 2.1316 5.3901 5.3904 8.6544 8.6558 9.3039 9.3041 9.7370 9.7438 10.0091 10.0128 k = 0.2771 0.7563-0.0000 ( 5160 PWs) bands (ev): -22.2615 -22.2615 -22.2599 -22.2599 -16.0216 -16.0215 -16.0185 -16.0185 -13.6797 -13.6796 -13.1553 -13.1552 -7.1177 -7.0991 -7.0695 -7.0587 -6.3342 -6.3101 -6.3008 -6.2711 -6.1911 -6.1840 -6.1792 -6.1729 -4.2999 -4.2974 -3.9575 -3.9575 -2.0151 -2.0136 -1.4583 -1.4454 -1.3548 -1.3381 1.0488 1.0593 1.1629 1.1718 1.1720 1.1779 1.8944 1.8971 1.9174 1.9281 2.0379 2.0469 2.1342 2.1375 5.3849 5.3850 8.6511 8.6529 9.3071 9.3077 9.7581 9.7655 9.9533 9.9548 k = 0.2836 0.7739-0.0000 ( 5164 PWs) bands (ev): -22.2612 -22.2612 -22.2608 -22.2608 -16.0249 -16.0248 -16.0211 -16.0211 -13.6754 -13.6754 -13.1516 -13.1515 -7.1104 -7.0931 -7.0688 -7.0588 -6.3260 -6.3019 -6.2965 -6.2641 -6.1896 -6.1824 -6.1795 -6.1736 -4.3011 -4.2983 -3.9682 -3.9681 -2.0355 -2.0334 -1.4592 -1.4469 -1.3450 -1.3284 1.0418 1.0540 1.1638 1.1712 1.1720 1.1787 1.8903 1.8938 1.9318 1.9421 2.0417 2.0501 2.1398 2.1435 5.3783 5.3783 8.6490 8.6512 9.3125 9.3135 9.7778 9.7860 9.8928 9.8946 k = 0.2836 0.7739-0.0000 ( 5164 PWs) bands (ev): -22.2612 -22.2612 -22.2608 -22.2608 -16.0249 -16.0248 -16.0211 -16.0211 -13.6754 -13.6754 -13.1516 -13.1515 -7.1104 -7.0931 -7.0688 -7.0588 -6.3260 -6.3019 -6.2965 -6.2641 -6.1896 -6.1824 -6.1795 -6.1736 -4.3011 -4.2983 -3.9682 -3.9681 -2.0355 -2.0334 -1.4592 -1.4469 -1.3450 -1.3284 1.0418 1.0540 1.1638 1.1712 1.1720 1.1787 1.8903 1.8938 1.9318 1.9421 2.0417 2.0501 2.1398 2.1435 5.3783 5.3783 8.6490 8.6512 9.3125 9.3135 9.7778 9.7860 9.8928 9.8946 k = 0.2647 0.7739-0.0000 ( 5168 PWs) bands (ev): -22.2614 -22.2614 -22.2604 -22.2604 -16.0237 -16.0236 -16.0202 -16.0201 -13.6770 -13.6770 -13.1530 -13.1529 -7.1132 -7.0958 -7.0685 -7.0587 -6.3296 -6.3090 -6.2938 -6.2659 -6.1903 -6.1824 -6.1799 -6.1736 -4.3009 -4.2980 -3.9642 -3.9641 -2.0281 -2.0262 -1.4587 -1.4463 -1.3486 -1.3320 1.0444 1.0560 1.1634 1.1713 1.1720 1.1785 1.8917 1.8948 1.9270 1.9373 2.0398 2.0483 2.1380 2.1416 5.3807 5.3807 8.6506 8.6527 9.3078 9.3086 9.7662 9.7738 9.9191 9.9207 k = 0.2458 0.7739-0.0000 ( 5167 PWs) bands (ev): -22.2617 -22.2617 -22.2599 -22.2599 -16.0225 -16.0224 -16.0193 -16.0192 -13.6784 -13.6784 -13.1542 -13.1541 -7.1164 -7.0996 -7.0676 -7.0584 -6.3345 -6.3175 -6.2895 -6.2663 -6.1914 -6.1839 -6.1793 -6.1732 -4.3010 -4.2977 -3.9595 -3.9594 -2.0213 -2.0196 -1.4573 -1.4449 -1.3513 -1.3350 1.0467 1.0576 1.1632 1.1710 1.1724 1.1785 1.8917 1.8946 1.9230 1.9328 2.0369 2.0453 2.1368 2.1401 5.3830 5.3830 8.6541 8.6562 9.2978 9.2988 9.7490 9.7554 9.9521 9.9531 k = 0.2269 0.7739-0.0000 ( 5170 PWs) bands (ev): -22.2620 -22.2620 -22.2594 -22.2594 -16.0214 -16.0213 -16.0184 -16.0183 -13.6796 -13.6796 -13.1554 -13.1553 -7.1198 -7.1038 -7.0662 -7.0581 -6.3403 -6.3258 -6.2852 -6.2657 -6.1926 -6.1856 -6.1790 -6.1726 -4.3012 -4.2975 -3.9545 -3.9542 -2.0149 -2.0134 -1.4551 -1.4429 -1.3532 -1.3374 1.0486 1.0588 1.1629 1.1705 1.1729 1.1786 1.8899 1.8929 1.9202 1.9291 2.0330 2.0412 2.1360 2.1390 5.3851 5.3852 8.6596 8.6618 9.2827 9.2843 9.7297 9.7350 9.9881 9.9887 k = 0.2079 0.7739-0.0000 ( 5167 PWs) bands (ev): -22.2622 -22.2622 -22.2589 -22.2589 -16.0204 -16.0203 -16.0176 -16.0176 -13.6807 -13.6807 -13.1564 -13.1563 -7.1233 -7.1084 -7.0648 -7.0576 -6.3466 -6.3339 -6.2811 -6.2643 -6.1941 -6.1873 -6.1788 -6.1720 -4.3014 -4.2975 -3.9490 -3.9487 -2.0092 -2.0078 -1.4522 -1.4404 -1.3545 -1.3394 1.0502 1.0596 1.1627 1.1699 1.1735 1.1788 1.8861 1.8898 1.9190 1.9265 2.0283 2.0362 2.1356 2.1383 5.3870 5.3871 8.6670 8.6694 9.2630 9.2651 9.7102 9.7145 10.0255 10.0264 k = 0.1890 0.7739-0.0000 ( 5166 PWs) bands (ev): -22.2625 -22.2625 -22.2585 -22.2585 -16.0194 -16.0193 -16.0169 -16.0168 -13.6817 -13.6816 -13.1573 -13.1573 -7.1268 -7.1131 -7.0633 -7.0572 -6.3530 -6.3415 -6.2772 -6.2624 -6.1956 -6.1890 -6.1787 -6.1714 -4.3018 -4.2976 -3.9434 -3.9431 -2.0041 -2.0028 -1.4488 -1.4375 -1.3551 -1.3409 1.0515 1.0600 1.1626 1.1693 1.1741 1.1791 1.8809 1.8854 1.9188 1.9252 2.0231 2.0305 2.1356 2.1379 5.3888 5.3889 8.6764 8.6790 9.2392 9.2420 9.6917 9.6951 10.0639 10.0652 k = 0.1701 0.7739-0.0000 ( 5156 PWs) bands (ev): -22.2627 -22.2627 -22.2582 -22.2582 -16.0185 -16.0185 -16.0163 -16.0162 -13.6825 -13.6825 -13.1582 -13.1581 -7.1302 -7.1177 -7.0619 -7.0567 -6.3592 -6.3487 -6.2736 -6.2602 -6.1972 -6.1906 -6.1786 -6.1710 -4.3022 -4.2979 -3.9378 -3.9374 -1.9995 -1.9984 -1.4449 -1.4343 -1.3552 -1.3420 1.0525 1.0601 1.1626 1.1687 1.1749 1.1794 1.8750 1.8800 1.9193 1.9248 2.0175 2.0245 2.1358 2.1377 5.3904 5.3906 8.6876 8.6904 9.2121 9.2155 9.6748 9.6774 10.1028 10.1045 k = 0.1512 0.7739-0.0000 ( 5157 PWs) bands (ev): -22.2629 -22.2629 -22.2578 -22.2578 -16.0177 -16.0177 -16.0157 -16.0156 -13.6832 -13.6832 -13.1589 -13.1589 -7.1334 -7.1222 -7.0606 -7.0563 -6.3650 -6.3555 -6.2701 -6.2579 -6.1988 -6.1923 -6.1784 -6.1708 -4.3025 -4.2983 -3.9322 -3.9318 -1.9956 -1.9946 -1.4408 -1.4309 -1.3549 -1.3429 1.0533 1.0600 1.1626 1.1682 1.1756 1.1798 1.8689 1.8741 1.9201 1.9250 2.0118 2.0182 2.1361 2.1378 5.3919 5.3920 8.7006 8.7036 9.1826 9.1865 9.6599 9.6619 10.1411 10.1434 k = 0.1323 0.7739-0.0000 ( 5158 PWs) bands (ev): -22.2631 -22.2631 -22.2576 -22.2576 -16.0170 -16.0170 -16.0151 -16.0151 -13.6838 -13.6838 -13.1596 -13.1595 -7.1363 -7.1265 -7.0595 -7.0559 -6.3703 -6.3617 -6.2669 -6.2557 -6.2002 -6.1939 -6.1782 -6.1708 -4.3029 -4.2988 -3.9270 -3.9265 -1.9922 -1.9913 -1.4366 -1.4276 -1.3543 -1.3435 1.0538 1.0595 1.1627 1.1677 1.1764 1.1801 1.8630 1.8681 1.9211 1.9255 2.0063 2.0121 2.1365 2.1379 5.3932 5.3934 8.7153 8.7185 9.1515 9.1559 9.6470 9.6485 10.1773 10.1803 k = 0.1134 0.7739-0.0000 ( 5161 PWs) bands (ev): -22.2633 -22.2633 -22.2573 -22.2573 -16.0164 -16.0164 -16.0147 -16.0146 -13.6843 -13.6843 -13.1601 -13.1601 -7.1390 -7.1305 -7.0585 -7.0555 -6.3749 -6.3673 -6.2639 -6.2537 -6.2015 -6.1954 -6.1778 -6.1709 -4.3032 -4.2994 -3.9221 -3.9217 -1.9893 -1.9886 -1.4325 -1.4245 -1.3534 -1.3440 1.0541 1.0590 1.1629 1.1673 1.1772 1.1804 1.8575 1.8622 1.9221 1.9261 2.0011 2.0063 2.1370 2.1381 5.3944 5.3945 8.7314 8.7348 9.1199 9.1245 9.6362 9.6374 10.2095 10.2133 k = 0.0945 0.7739-0.0000 ( 5159 PWs) bands (ev): -22.2635 -22.2635 -22.2571 -22.2571 -16.0159 -16.0159 -16.0143 -16.0142 -13.6847 -13.6847 -13.1606 -13.1606 -7.1412 -7.1340 -7.0577 -7.0553 -6.3787 -6.3722 -6.2611 -6.2521 -6.2025 -6.1969 -6.1774 -6.1713 -4.3034 -4.3001 -3.9177 -3.9174 -1.9870 -1.9864 -1.4285 -1.4217 -1.3523 -1.3444 1.0542 1.0583 1.1631 1.1668 1.1780 1.1807 1.8527 1.8569 1.9232 1.9266 1.9964 2.0010 2.1374 2.1383 5.3954 5.3955 8.7488 8.7523 9.0885 9.0931 9.6273 9.6282 10.2365 10.2406 k = 0.0756 0.7739-0.0000 ( 5157 PWs) bands (ev): -22.2636 -22.2636 -22.2569 -22.2569 -16.0155 -16.0154 -16.0139 -16.0139 -13.6850 -13.6850 -13.1610 -13.1609 -7.1429 -7.1372 -7.0569 -7.0551 -6.3818 -6.3765 -6.2586 -6.2509 -6.2033 -6.1984 -6.1769 -6.1717 -4.3036 -4.3007 -3.9139 -3.9137 -1.9851 -1.9846 -1.4250 -1.4194 -1.3512 -1.3448 1.0543 1.0575 1.1634 1.1664 1.1788 1.1809 1.8486 1.8521 1.9242 1.9271 1.9925 1.9963 2.1378 2.1384 5.3962 5.3963 8.7668 8.7703 9.0584 9.0629 9.6203 9.6210 10.2582 10.2619 k = 0.0567 0.7739-0.0000 ( 5161 PWs) bands (ev): -22.2637 -22.2637 -22.2568 -22.2568 -16.0151 -16.0151 -16.0137 -16.0137 -13.6852 -13.6852 -13.1612 -13.1612 -7.1442 -7.1398 -7.0563 -7.0549 -6.3841 -6.3800 -6.2563 -6.2503 -6.2037 -6.1997 -6.1763 -6.1722 -4.3036 -4.3014 -3.9109 -3.9107 -1.9837 -1.9833 -1.4219 -1.4176 -1.3500 -1.3453 1.0544 1.0568 1.1637 1.1660 1.1794 1.1810 1.8454 1.8482 1.9251 1.9274 1.9894 1.9924 2.1381 2.1386 5.3968 5.3969 8.7848 8.7881 9.0310 9.0351 9.6150 9.6155 10.2750 10.2779 k = 0.0378 0.7739-0.0000 ( 5161 PWs) bands (ev): -22.2637 -22.2637 -22.2567 -22.2567 -16.0149 -16.0149 -16.0135 -16.0135 -13.6854 -13.6854 -13.1614 -13.1614 -7.1449 -7.1420 -7.0559 -7.0549 -6.3855 -6.3827 -6.2543 -6.2501 -6.2037 -6.2009 -6.1756 -6.1729 -4.3035 -4.3020 -3.9087 -3.9086 -1.9826 -1.9824 -1.4194 -1.4165 -1.3490 -1.3458 1.0546 1.0561 1.1641 1.1656 1.1800 1.1810 1.8433 1.8451 1.9259 1.9275 1.9873 1.9893 2.1383 2.1386 5.3973 5.3973 8.8013 8.8040 9.0080 9.0113 9.6113 9.6116 10.2870 10.2890 k = 0.0189 0.7739-0.0000 ( 5156 PWs) bands (ev): -22.2638 -22.2638 -22.2566 -22.2566 -16.0147 -16.0147 -16.0134 -16.0134 -13.6855 -13.6855 -13.1616 -13.1616 -7.1450 -7.1436 -7.0555 -7.0550 -6.3860 -6.3847 -6.2526 -6.2505 -6.2034 -6.2020 -6.1750 -6.1735 -4.3033 -4.3025 -3.9073 -3.9073 -1.9820 -1.9819 -1.4175 -1.4161 -1.3480 -1.3464 1.0548 1.0556 1.1644 1.1652 1.1804 1.1810 1.8421 1.8431 1.9266 1.9274 1.9862 1.9873 2.1385 2.1387 5.3976 5.3976 8.8138 8.8154 8.9923 8.9942 9.6091 9.6093 10.2944 10.2955 k = 0.0000 0.7739-0.0000 ( 5154 PWs) bands (ev): -22.2638 -22.2638 -22.2566 -22.2566 -16.0147 -16.0147 -16.0133 -16.0133 -13.6855 -13.6855 -13.1616 -13.1616 -7.1446 -7.1446 -7.0552 -7.0552 -6.3858 -6.3858 -6.2513 -6.2513 -6.2028 -6.2028 -6.1743 -6.1743 -4.3029 -4.3029 -3.9069 -3.9069 -1.9818 -1.9818 -1.4164 -1.4164 -1.3471 -1.3471 1.0551 1.0551 1.1648 1.1648 1.1808 1.1808 1.8421 1.8421 1.9271 1.9271 1.9862 1.9862 2.1386 2.1386 5.3977 5.3977 8.8191 8.8191 8.9872 8.9872 9.6085 9.6085 10.2972 10.2972 k = 0.0000 0.7739-0.0000 ( 5154 PWs) bands (ev): -22.2638 -22.2638 -22.2566 -22.2566 -16.0147 -16.0147 -16.0133 -16.0133 -13.6855 -13.6855 -13.1616 -13.1616 -7.1446 -7.1446 -7.0552 -7.0552 -6.3858 -6.3858 -6.2513 -6.2513 -6.2028 -6.2028 -6.1743 -6.1743 -4.3029 -4.3029 -3.9069 -3.9069 -1.9818 -1.9818 -1.4164 -1.4164 -1.3471 -1.3471 1.0551 1.0551 1.1648 1.1648 1.1808 1.1808 1.8421 1.8421 1.9271 1.9271 1.9862 1.9862 2.1386 2.1386 5.3977 5.3977 8.8191 8.8191 8.9872 8.9872 9.6085 9.6085 10.2972 10.2972 k = 0.0000 0.7739 0.0189 ( 5156 PWs) bands (ev): -22.2638 -22.2638 -22.2566 -22.2566 -16.0147 -16.0147 -16.0134 -16.0134 -13.6851 -13.6851 -13.1621 -13.1621 -7.1448 -7.1440 -7.0553 -7.0550 -6.3857 -6.3855 -6.2519 -6.2507 -6.2029 -6.2026 -6.1740 -6.1739 -4.3027 -4.3020 -3.9072 -3.9070 -1.9804 -1.9800 -1.4166 -1.4165 -1.3475 -1.3473 1.0493 1.0494 1.1636 1.1639 1.1794 1.1797 1.8424 1.8424 1.9274 1.9275 1.9867 1.9869 2.1386 2.1387 5.4029 5.4030 8.8178 8.8182 8.9895 8.9899 9.6108 9.6109 10.2938 10.2950 k = 0.0000 0.7739 0.0379 ( 5156 PWs) bands (ev): -22.2637 -22.2637 -22.2566 -22.2566 -16.0149 -16.0149 -16.0135 -16.0135 -13.6838 -13.6838 -13.1637 -13.1637 -7.1446 -7.1431 -7.0554 -7.0548 -6.3851 -6.3847 -6.2524 -6.2501 -6.2029 -6.2023 -6.1733 -6.1732 -4.3012 -4.2998 -3.9079 -3.9077 -1.9759 -1.9752 -1.4171 -1.4169 -1.3484 -1.3482 1.0320 1.0323 1.1601 1.1608 1.1757 1.1762 1.8434 1.8434 1.9285 1.9286 1.9884 1.9887 2.1388 2.1390 5.4187 5.4187 8.8141 8.8149 8.9966 8.9976 9.6177 9.6180 10.2858 10.2880 k = 0.0000 0.7739 0.0568 ( 5160 PWs) bands (ev): -22.2637 -22.2637 -22.2566 -22.2566 -16.0150 -16.0150 -16.0137 -16.0137 -13.6817 -13.6816 -13.1664 -13.1664 -7.1441 -7.1419 -7.0554 -7.0545 -6.3842 -6.3835 -6.2529 -6.2494 -6.2028 -6.2018 -6.1721 -6.1719 -4.2984 -4.2963 -3.9092 -3.9088 -1.9682 -1.9673 -1.4178 -1.4175 -1.3500 -1.3497 1.0038 1.0042 1.1546 1.1557 1.1697 1.1705 1.8450 1.8451 1.9304 1.9304 1.9910 1.9915 2.1391 2.1393 5.4447 5.4448 8.8081 8.8093 9.0087 9.0101 9.6292 9.6296 10.2753 10.2781 k = 0.0000 0.7739 0.0758 ( 5154 PWs) bands (ev): -22.2636 -22.2636 -22.2566 -22.2566 -16.0153 -16.0153 -16.0140 -16.0140 -13.6786 -13.6786 -13.1701 -13.1701 -7.1432 -7.1403 -7.0554 -7.0541 -6.3829 -6.3819 -6.2535 -6.2489 -6.2023 -6.2012 -6.1705 -6.1702 -4.2945 -4.2918 -3.9109 -3.9104 -1.9574 -1.9562 -1.4188 -1.4183 -1.3522 -1.3518 0.9654 0.9659 1.1470 1.1485 1.1616 1.1627 1.8472 1.8473 1.9329 1.9330 1.9943 1.9949 2.1394 2.1397 5.4806 5.4807 8.7996 8.8011 9.0256 9.0275 9.6450 9.6456 10.2640 10.2671 k = 0.0000 0.7739 0.0947 ( 5158 PWs) bands (ev): -22.2635 -22.2635 -22.2566 -22.2566 -16.0157 -16.0156 -16.0144 -16.0144 -13.6748 -13.6748 -13.1748 -13.1748 -7.1420 -7.1384 -7.0553 -7.0537 -6.3812 -6.3799 -6.2541 -6.2485 -6.2016 -6.2002 -6.1684 -6.1681 -4.2894 -4.2861 -3.9130 -3.9124 -1.9435 -1.9420 -1.4199 -1.4194 -1.3549 -1.3544 0.9176 0.9182 1.1376 1.1394 1.1515 1.1529 1.8500 1.8501 1.9360 1.9361 1.9978 1.9985 2.1398 2.1401 5.5259 5.5261 8.7884 8.7903 9.0473 9.0497 9.6648 9.6655 10.2527 10.2561 k = 0.0000 0.7739 0.1136 ( 5160 PWs) bands (ev): -22.2634 -22.2634 -22.2567 -22.2567 -16.0161 -16.0161 -16.0148 -16.0148 -13.6701 -13.6701 -13.1805 -13.1805 -7.1404 -7.1362 -7.0552 -7.0533 -6.3792 -6.3775 -6.2549 -6.2483 -6.2005 -6.1989 -6.1659 -6.1657 -4.2833 -4.2793 -3.9157 -3.9149 -1.9264 -1.9246 -1.4213 -1.4207 -1.3582 -1.3576 0.8615 0.8623 1.1264 1.1286 1.1397 1.1414 1.8532 1.8533 1.9398 1.9399 2.0012 2.0020 2.1401 2.1404 5.5800 5.5802 8.7745 8.7767 9.0738 9.0767 9.6881 9.6890 10.2422 10.2457 k = 0.0000 0.7739 0.1326 ( 5166 PWs) bands (ev): -22.2632 -22.2632 -22.2567 -22.2567 -16.0165 -16.0165 -16.0153 -16.0153 -13.6646 -13.6646 -13.1872 -13.1872 -7.1386 -7.1337 -7.0552 -7.0529 -6.3769 -6.3748 -6.2559 -6.2483 -6.1989 -6.1972 -6.1631 -6.1629 -4.2761 -4.2715 -3.9188 -3.9179 -1.9061 -1.9041 -1.4228 -1.4221 -1.3620 -1.3612 0.7980 0.7989 1.1136 1.1161 1.1264 1.1284 1.8569 1.8570 1.9441 1.9442 2.0044 2.0053 2.1403 2.1406 5.6423 5.6425 8.7574 8.7600 9.1050 9.1082 9.7145 9.7156 10.2326 10.2362 k = 0.0000 0.7739 0.1515 ( 5166 PWs) bands (ev): -22.2631 -22.2631 -22.2567 -22.2567 -16.0171 -16.0171 -16.0159 -16.0159 -13.6583 -13.6583 -13.1948 -13.1948 -7.1364 -7.1309 -7.0551 -7.0525 -6.3744 -6.3718 -6.2571 -6.2487 -6.1968 -6.1950 -6.1601 -6.1599 -4.2679 -4.2629 -3.9223 -3.9213 -1.8826 -1.8804 -1.4244 -1.4237 -1.3662 -1.3654 0.7282 0.7293 1.0994 1.1022 1.1120 1.1142 1.8610 1.8611 1.9489 1.9491 2.0071 2.0080 2.1403 2.1405 5.7120 5.7122 8.7370 8.7399 9.1406 9.1444 9.7435 9.7448 10.2240 10.2276 k = 0.0000 0.7739 0.1704 ( 5168 PWs) bands (ev): -22.2629 -22.2629 -22.2568 -22.2568 -16.0176 -16.0176 -16.0165 -16.0165 -13.6512 -13.6512 -13.2034 -13.2033 -7.1340 -7.1279 -7.0551 -7.0521 -6.3716 -6.3684 -6.2586 -6.2495 -6.1942 -6.1923 -6.1568 -6.1567 -4.2589 -4.2534 -3.9263 -3.9251 -1.8558 -1.8535 -1.4260 -1.4253 -1.3709 -1.3699 0.6529 0.6541 1.0841 1.0869 1.0966 1.0989 1.8654 1.8655 1.9542 1.9544 2.0092 2.0101 2.1399 2.1401 5.7885 5.7887 8.7129 8.7160 9.1808 9.1849 9.7744 9.7759 10.2164 10.2200 k = 0.0000 0.7739 0.1894 ( 5168 PWs) bands (ev): -22.2627 -22.2627 -22.2568 -22.2568 -16.0182 -16.0182 -16.0171 -16.0171 -13.6433 -13.6433 -13.2128 -13.2127 -7.1313 -7.1247 -7.0551 -7.0517 -6.3687 -6.3649 -6.2603 -6.2506 -6.1911 -6.1891 -6.1534 -6.1533 -4.2492 -4.2432 -3.9308 -3.9294 -1.8258 -1.8234 -1.4276 -1.4270 -1.3759 -1.3748 0.5730 0.5743 1.0678 1.0707 1.0805 1.0829 1.8701 1.8702 1.9598 1.9600 2.0107 2.0116 2.1392 2.1393 5.8711 5.8713 8.6848 8.6880 9.2252 9.2298 9.8064 9.8082 10.2098 10.2134 k = 0.0000 0.7739 0.2083 ( 5158 PWs) bands (ev): -22.2625 -22.2625 -22.2568 -22.2568 -16.0188 -16.0188 -16.0178 -16.0178 -13.6347 -13.6347 -13.2230 -13.2229 -7.1284 -7.1212 -7.0552 -7.0514 -6.3656 -6.3611 -6.2623 -6.2521 -6.1874 -6.1854 -6.1499 -6.1498 -4.2387 -4.2324 -3.9356 -3.9341 -1.7927 -1.7902 -1.4291 -1.4285 -1.3812 -1.3800 0.4892 0.4907 1.0509 1.0538 1.0640 1.0663 1.8751 1.8752 1.9658 1.9661 2.0115 2.0124 2.1381 2.1381 5.9591 5.9593 8.6522 8.6556 9.2737 9.2787 9.8388 9.8408 10.2041 10.2076 k = 0.0000 0.7739 0.2273 ( 5158 PWs) bands (ev): -22.2623 -22.2623 -22.2569 -22.2569 -16.0195 -16.0195 -16.0185 -16.0185 -13.6254 -13.6253 -13.2340 -13.2339 -7.1253 -7.1177 -7.0554 -7.0512 -6.3624 -6.3572 -6.2646 -6.2539 -6.1834 -6.1814 -6.1463 -6.1462 -4.2276 -4.2211 -3.9409 -3.9392 -1.7564 -1.7539 -1.4302 -1.4298 -1.3868 -1.3855 0.4023 0.4040 1.0337 1.0365 1.0472 1.0493 1.8803 1.8804 1.9721 1.9723 2.0117 2.0125 2.1365 2.1366 6.0519 6.0520 8.6147 8.6183 9.3261 9.3315 9.8706 9.8728 10.1992 10.2027 k = 0.0000 0.7739 0.2462 ( 5162 PWs) bands (ev): -22.2621 -22.2621 -22.2570 -22.2570 -16.0201 -16.0201 -16.0192 -16.0192 -13.6153 -13.6153 -13.2457 -13.2456 -7.1220 -7.1140 -7.0557 -7.0512 -6.3591 -6.3531 -6.2672 -6.2561 -6.1790 -6.1770 -6.1427 -6.1426 -4.2161 -4.2093 -3.9467 -3.9447 -1.7171 -1.7148 -1.4309 -1.4307 -1.3925 -1.3911 0.3129 0.3148 1.0165 1.0191 1.0302 1.0322 1.8857 1.8858 1.9785 1.9789 2.0113 2.0121 2.1344 2.1346 6.1487 6.1487 8.5721 8.5758 9.3822 9.3881 9.9010 9.9033 10.1951 10.1985 k = 0.0000 0.7739 0.2651 ( 5160 PWs) bands (ev): -22.2618 -22.2618 -22.2570 -22.2570 -16.0208 -16.0208 -16.0199 -16.0199 -13.6046 -13.6045 -13.2580 -13.2580 -7.1186 -7.1102 -7.0562 -7.0512 -6.3557 -6.3490 -6.2699 -6.2584 -6.1743 -6.1723 -6.1392 -6.1391 -4.2041 -4.1972 -3.9529 -3.9506 -1.6752 -1.6731 -1.4309 -1.4307 -1.3984 -1.3967 0.2216 0.2236 0.9995 1.0019 1.0134 1.0152 1.8913 1.8914 1.9851 1.9855 2.0104 2.0111 2.1318 2.1321 6.2490 6.2490 8.5241 8.5278 9.4417 9.4480 9.9289 9.9313 10.1917 10.1951 k = 0.0000 0.7739 0.2841 ( 5160 PWs) bands (ev): -22.2616 -22.2616 -22.2571 -22.2571 -16.0214 -16.0214 -16.0206 -16.0206 -13.5932 -13.5932 -13.2710 -13.2710 -7.1150 -7.1063 -7.0568 -7.0514 -6.3523 -6.3448 -6.2729 -6.2611 -6.1693 -6.1674 -6.1359 -6.1357 -4.1919 -4.1848 -3.9594 -3.9570 -1.6310 -1.6295 -1.4299 -1.4290 -1.4042 -1.4024 0.1288 0.1310 0.9830 0.9852 0.9968 0.9985 1.8970 1.8971 1.9917 1.9921 2.0090 2.0098 2.1287 2.1291 6.3523 6.3523 8.4706 8.4743 9.5043 9.5109 9.9537 9.9561 10.1892 10.1926 k = 0.0000 0.7739 0.3030 ( 5158 PWs) bands (ev): -22.2613 -22.2613 -22.2572 -22.2572 -16.0220 -16.0220 -16.0213 -16.0213 -13.5813 -13.5812 -13.2846 -13.2845 -7.1114 -7.1024 -7.0576 -7.0518 -6.3488 -6.3406 -6.2760 -6.2639 -6.1642 -6.1624 -6.1327 -6.1326 -4.1794 -4.1723 -3.9664 -3.9637 -1.5859 -1.5854 -1.4266 -1.4246 -1.4096 -1.4075 0.0352 0.0376 0.9672 0.9692 0.9808 0.9823 1.9029 1.9030 1.9978 1.9981 2.0078 2.0086 2.1252 2.1257 6.4579 6.4580 8.4113 8.4150 9.5694 9.5764 9.9749 9.9772 10.1877 10.1910 k = 0.0000 0.7739 0.3220 ( 5158 PWs) bands (ev): -22.2611 -22.2611 -22.2573 -22.2573 -16.0226 -16.0226 -16.0220 -16.0220 -13.5688 -13.5687 -13.2986 -13.2985 -7.1077 -7.0985 -7.0585 -7.0523 -6.3453 -6.3363 -6.2793 -6.2669 -6.1591 -6.1575 -6.1298 -6.1297 -4.1668 -4.1597 -3.9738 -3.9709 -1.5439 -1.5429 -1.4212 -1.4195 -1.4095 -1.4091 -0.0589 -0.0564 0.9523 0.9542 0.9655 0.9668 1.9089 1.9089 2.0008 2.0010 2.0093 2.0102 2.1212 2.1218 6.5654 6.5657 8.3464 8.3500 9.6365 9.6439 9.9924 9.9945 10.1876 10.1908 k = 0.0000 0.7739 0.3409 ( 5158 PWs) bands (ev): -22.2608 -22.2608 -22.2575 -22.2575 -16.0232 -16.0232 -16.0226 -16.0226 -13.5557 -13.5556 -13.3131 -13.3130 -7.1040 -7.0946 -7.0597 -7.0531 -6.3417 -6.3320 -6.2827 -6.2701 -6.1540 -6.1525 -6.1272 -6.1271 -4.1542 -4.1471 -3.9816 -3.9784 -1.5109 -1.5078 -1.4232 -1.4224 -1.3924 -1.3883 -0.1531 -0.1504 0.9387 0.9403 0.9511 0.9523 1.9149 1.9150 1.9992 1.9995 2.0150 2.0158 2.1169 2.1176 6.6745 6.6748 8.2760 8.2794 9.7047 9.7124 10.0063 10.0083 10.1894 10.1925 k = 0.0000 0.7739 0.3598 ( 5156 PWs) bands (ev): -22.2605 -22.2605 -22.2576 -22.2576 -16.0237 -16.0237 -16.0232 -16.0231 -13.5422 -13.5421 -13.3279 -13.3278 -7.1003 -7.0907 -7.0610 -7.0540 -6.3381 -6.3278 -6.2863 -6.2734 -6.1490 -6.1477 -6.1250 -6.1249 -4.1415 -4.1345 -3.9898 -3.9863 -1.4904 -1.4863 -1.4285 -1.4270 -1.3548 -1.3492 -0.2470 -0.2441 0.9263 0.9278 0.9378 0.9388 1.9211 1.9211 1.9961 1.9964 2.0218 2.0226 2.1121 2.1129 6.7845 6.7849 8.2001 8.2034 9.7727 9.7807 10.0171 10.0189 10.1942 10.1972 k = 0.0000 0.7739 0.3788 ( 5156 PWs) bands (ev): -22.2603 -22.2603 -22.2577 -22.2577 -16.0241 -16.0241 -16.0237 -16.0237 -13.5282 -13.5281 -13.3431 -13.3430 -7.0966 -7.0870 -7.0626 -7.0552 -6.3345 -6.3236 -6.2899 -6.2768 -6.1443 -6.1431 -6.1232 -6.1231 -4.1290 -4.1221 -3.9984 -3.9946 -1.4797 -1.4755 -1.4337 -1.4320 -1.3025 -1.2966 -0.3402 -0.3371 0.9155 0.9167 0.9257 0.9266 1.9272 1.9272 1.9924 1.9927 2.0289 2.0297 2.1070 2.1078 6.8951 6.8957 8.1192 8.1223 9.8384 9.8465 10.0254 10.0269 10.2038 10.2065 k = 0.0000 0.7739 0.3977 ( 5156 PWs) bands (ev): -22.2600 -22.2600 -22.2579 -22.2579 -16.0245 -16.0245 -16.0241 -16.0241 -13.5138 -13.5137 -13.3585 -13.3584 -7.0930 -7.0833 -7.0644 -7.0566 -6.3308 -6.3194 -6.2935 -6.2804 -6.1398 -6.1388 -6.1219 -6.1219 -4.1166 -4.1098 -4.0074 -4.0033 -1.4737 -1.4698 -1.4387 -1.4368 -1.2412 -1.2356 -0.4325 -0.4292 0.9062 0.9073 0.9151 0.9159 1.9333 1.9333 1.9882 1.9885 2.0360 2.0368 2.1016 2.1025 7.0058 7.0066 8.0336 8.0364 9.8988 9.9066 10.0316 10.0330 10.2212 10.2231 k = 0.0000 0.7739 0.4166 ( 5152 PWs) bands (ev): -22.2598 -22.2598 -22.2581 -22.2581 -16.0248 -16.0248 -16.0245 -16.0245 -13.4990 -13.4989 -13.3741 -13.3740 -7.0894 -7.0798 -7.0664 -7.0583 -6.3272 -6.3153 -6.2972 -6.2840 -6.1357 -6.1348 -6.1211 -6.1211 -4.1043 -4.0978 -4.0168 -4.0124 -1.4699 -1.4663 -1.4434 -1.4413 -1.1743 -1.1689 -0.5235 -0.5200 0.8987 0.8996 0.9061 0.9067 1.9394 1.9395 1.9838 1.9840 2.0430 2.0439 2.0959 2.0968 7.1163 7.1173 7.9435 7.9462 9.9497 9.9568 10.0361 10.0374 10.2503 10.2508 k = 0.0000 0.7739 0.4356 ( 5154 PWs) bands (ev): -22.2595 -22.2595 -22.2582 -22.2582 -16.0251 -16.0251 -16.0248 -16.0248 -13.4839 -13.4838 -13.3899 -13.3898 -7.0860 -7.0764 -7.0686 -7.0602 -6.3235 -6.3112 -6.3010 -6.2877 -6.1319 -6.1313 -6.1209 -6.1209 -4.0923 -4.0860 -4.0265 -4.0218 -1.4670 -1.4636 -1.4478 -1.4455 -1.1030 -1.0979 -0.6130 -0.6092 0.8930 0.8937 0.8987 0.8991 1.9455 1.9455 1.9789 1.9791 2.0501 2.0510 2.0899 2.0908 7.2262 7.2274 7.8495 7.8519 9.9879 9.9937 10.0390 10.0404 10.2924 10.2937 k = 0.0000 0.7739 0.4545 ( 5154 PWs) bands (ev): -22.2593 -22.2593 -22.2584 -22.2584 -16.0252 -16.0252 -16.0251 -16.0251 -13.4686 -13.4685 -13.4057 -13.4056 -7.0827 -7.0732 -7.0711 -7.0623 -6.3197 -6.3071 -6.3047 -6.2914 -6.1287 -6.1282 -6.1213 -6.1212 -4.0805 -4.0744 -4.0366 -4.0317 -1.4643 -1.4612 -1.4518 -1.4493 -1.0282 -1.0234 -0.7006 -0.6967 0.8892 0.8898 0.8932 0.8934 1.9515 1.9515 1.9739 1.9740 2.0571 2.0580 2.0837 2.0846 7.3351 7.3364 7.7520 7.7542 10.0131 10.0175 10.0403 10.0419 10.3475 10.3509 k = 0.0000 0.7739 0.4735 ( 5162 PWs) bands (ev): -22.2591 -22.2591 -22.2586 -22.2586 -16.0253 -16.0253 -16.0253 -16.0252 -13.4530 -13.4530 -13.4215 -13.4215 -7.0795 -7.0737 -7.0701 -7.0647 -6.3160 -6.3085 -6.3031 -6.2953 -6.1260 -6.1256 -6.1223 -6.1221 -4.0691 -4.0633 -4.0471 -4.0418 -1.4616 -1.4586 -1.4554 -1.4528 -0.9503 -0.9457 -0.7862 -0.7821 0.8874 0.8877 0.8894 0.8895 1.9573 1.9574 1.9685 1.9687 2.0639 2.0649 2.0773 2.0782 7.4425 7.4440 7.6514 7.6533 10.0280 10.0313 10.0396 10.0415 10.4123 10.4177 k = 0.0000 0.7739 0.4924 ( 5168 PWs) bands (ev): -22.2588 -22.2588 -22.2588 -22.2588 -16.0253 -16.0253 -16.0253 -16.0253 -13.4373 -13.4373 -13.4373 -13.4373 -7.0765 -7.0765 -7.0673 -7.0673 -6.3123 -6.3123 -6.2992 -6.2992 -6.1239 -6.1239 -6.1236 -6.1236 -4.0579 -4.0579 -4.0524 -4.0524 -1.4586 -1.4586 -1.4559 -1.4559 -0.8695 -0.8695 -0.8652 -0.8652 0.8874 0.8874 0.8876 0.8876 1.9630 1.9630 1.9631 1.9631 2.0707 2.0707 2.0716 2.0716 7.5481 7.5481 7.5498 7.5498 10.0360 10.0360 10.0384 10.0384 10.4820 10.4820 k = 0.0000 0.7739 0.4924 ( 5168 PWs) bands (ev): -22.2588 -22.2588 -22.2588 -22.2588 -16.0253 -16.0253 -16.0253 -16.0253 -13.4373 -13.4373 -13.4373 -13.4373 -7.0765 -7.0765 -7.0673 -7.0673 -6.3123 -6.3123 -6.2992 -6.2992 -6.1239 -6.1239 -6.1236 -6.1236 -4.0579 -4.0579 -4.0524 -4.0524 -1.4586 -1.4586 -1.4559 -1.4559 -0.8695 -0.8695 -0.8652 -0.8652 0.8874 0.8874 0.8876 0.8876 1.9630 1.9630 1.9631 1.9631 2.0707 2.0707 2.0716 2.0716 7.5481 7.5481 7.5498 7.5498 10.0360 10.0360 10.0384 10.0384 10.4820 10.4820 k = 0.0189 0.7739 0.4924 ( 5162 PWs) bands (ev): -22.2588 -22.2588 -22.2588 -22.2588 -16.0254 -16.0254 -16.0254 -16.0254 -13.4373 -13.4373 -13.4372 -13.4372 -7.0764 -7.0764 -7.0672 -7.0672 -6.3122 -6.3122 -6.2988 -6.2988 -6.1246 -6.1246 -6.1228 -6.1228 -4.0582 -4.0582 -4.0525 -4.0525 -1.4591 -1.4591 -1.4560 -1.4560 -0.8695 -0.8695 -0.8651 -0.8651 0.8874 0.8874 0.8876 0.8876 1.9632 1.9632 1.9639 1.9639 2.0706 2.0706 2.0716 2.0716 7.5480 7.5480 7.5498 7.5498 10.0351 10.0351 10.0376 10.0376 10.4834 10.4834 k = 0.0378 0.7739 0.4924 ( 5158 PWs) bands (ev): -22.2589 -22.2589 -22.2589 -22.2589 -16.0255 -16.0255 -16.0255 -16.0255 -13.4372 -13.4372 -13.4371 -13.4371 -7.0762 -7.0762 -7.0667 -7.0667 -6.3121 -6.3121 -6.2977 -6.2977 -6.1256 -6.1256 -6.1220 -6.1220 -4.0592 -4.0592 -4.0530 -4.0530 -1.4605 -1.4605 -1.4563 -1.4563 -0.8695 -0.8695 -0.8651 -0.8651 0.8872 0.8872 0.8876 0.8876 1.9644 1.9644 1.9656 1.9656 2.0703 2.0703 2.0716 2.0716 7.5480 7.5480 7.5498 7.5498 10.0323 10.0323 10.0351 10.0351 10.4875 10.4875 k = 0.0567 0.7739 0.4924 ( 5152 PWs) bands (ev): -22.2589 -22.2589 -22.2589 -22.2589 -16.0257 -16.0257 -16.0257 -16.0257 -13.4371 -13.4371 -13.4369 -13.4369 -7.0757 -7.0757 -7.0659 -7.0659 -6.3118 -6.3118 -6.2959 -6.2959 -6.1265 -6.1265 -6.1212 -6.1212 -4.0606 -4.0606 -4.0538 -4.0538 -1.4625 -1.4625 -1.4571 -1.4571 -0.8696 -0.8696 -0.8651 -0.8651 0.8869 0.8869 0.8875 0.8875 1.9665 1.9665 1.9682 1.9682 2.0699 2.0699 2.0716 2.0716 7.5479 7.5479 7.5498 7.5498 10.0279 10.0279 10.0309 10.0309 10.4942 10.4942 k = 0.0756 0.7739 0.4924 ( 5154 PWs) bands (ev): -22.2589 -22.2589 -22.2589 -22.2589 -16.0260 -16.0260 -16.0259 -16.0259 -13.4368 -13.4368 -13.4366 -13.4366 -7.0751 -7.0751 -7.0649 -7.0649 -6.3113 -6.3113 -6.2937 -6.2937 -6.1275 -6.1275 -6.1204 -6.1204 -4.0626 -4.0626 -4.0551 -4.0551 -1.4651 -1.4651 -1.4583 -1.4583 -0.8696 -0.8696 -0.8650 -0.8650 0.8866 0.8866 0.8874 0.8874 1.9694 1.9694 1.9717 1.9717 2.0694 2.0694 2.0715 2.0715 7.5478 7.5478 7.5498 7.5498 10.0221 10.0221 10.0254 10.0254 10.5031 10.5031 k = 0.0945 0.7739 0.4924 ( 5148 PWs) bands (ev): -22.2589 -22.2589 -22.2589 -22.2589 -16.0264 -16.0264 -16.0263 -16.0263 -13.4365 -13.4365 -13.4362 -13.4362 -7.0743 -7.0743 -7.0637 -7.0637 -6.3105 -6.3105 -6.2909 -6.2909 -6.1285 -6.1285 -6.1196 -6.1196 -4.0650 -4.0650 -4.0566 -4.0566 -1.4681 -1.4681 -1.4601 -1.4601 -0.8697 -0.8697 -0.8649 -0.8649 0.8862 0.8862 0.8872 0.8872 1.9731 1.9731 1.9758 1.9758 2.0688 2.0688 2.0714 2.0714 7.5477 7.5477 7.5497 7.5497 10.0152 10.0152 10.0188 10.0188 10.5138 10.5138 k = 0.1134 0.7739 0.4924 ( 5156 PWs) bands (ev): -22.2589 -22.2589 -22.2589 -22.2589 -16.0269 -16.0269 -16.0268 -16.0268 -13.4361 -13.4361 -13.4358 -13.4358 -7.0733 -7.0733 -7.0623 -7.0623 -6.3094 -6.3094 -6.2879 -6.2879 -6.1294 -6.1294 -6.1188 -6.1188 -4.0677 -4.0677 -4.0586 -4.0586 -1.4715 -1.4715 -1.4623 -1.4623 -0.8697 -0.8697 -0.8648 -0.8648 0.8858 0.8858 0.8870 0.8870 1.9774 1.9774 1.9805 1.9805 2.0682 2.0682 2.0713 2.0713 7.5475 7.5475 7.5496 7.5496 10.0074 10.0074 10.0112 10.0112 10.5258 10.5258 k = 0.1323 0.7739 0.4924 ( 5152 PWs) bands (ev): -22.2590 -22.2590 -22.2590 -22.2590 -16.0274 -16.0274 -16.0273 -16.0273 -13.4356 -13.4356 -13.4352 -13.4352 -7.0722 -7.0722 -7.0607 -7.0607 -6.3081 -6.3081 -6.2846 -6.2846 -6.1303 -6.1303 -6.1180 -6.1180 -4.0707 -4.0707 -4.0610 -4.0610 -1.4751 -1.4751 -1.4648 -1.4648 -0.8698 -0.8698 -0.8647 -0.8647 0.8854 0.8854 0.8867 0.8867 1.9823 1.9823 1.9857 1.9857 2.0675 2.0675 2.0712 2.0712 7.5473 7.5473 7.5496 7.5496 9.9990 9.9990 10.0030 10.0030 10.5384 10.5384 k = 0.1512 0.7739 0.4924 ( 5150 PWs) bands (ev): -22.2590 -22.2590 -22.2590 -22.2590 -16.0280 -16.0280 -16.0279 -16.0279 -13.4351 -13.4351 -13.4346 -13.4346 -7.0709 -7.0709 -7.0591 -7.0591 -6.3065 -6.3065 -6.2811 -6.2811 -6.1310 -6.1310 -6.1172 -6.1172 -4.0740 -4.0740 -4.0636 -4.0636 -1.4789 -1.4789 -1.4677 -1.4677 -0.8699 -0.8699 -0.8646 -0.8646 0.8850 0.8850 0.8864 0.8864 1.9874 1.9874 1.9910 1.9910 2.0669 2.0669 2.0713 2.0713 7.5470 7.5470 7.5494 7.5494 9.9903 9.9903 9.9944 9.9944 10.5512 10.5512 k = 0.1701 0.7739 0.4924 ( 5146 PWs) bands (ev): -22.2591 -22.2591 -22.2591 -22.2591 -16.0287 -16.0287 -16.0286 -16.0286 -13.4344 -13.4344 -13.4338 -13.4338 -7.0695 -7.0695 -7.0574 -7.0574 -6.3046 -6.3046 -6.2775 -6.2775 -6.1317 -6.1317 -6.1164 -6.1164 -4.0774 -4.0774 -4.0665 -4.0665 -1.4828 -1.4828 -1.4707 -1.4707 -0.8699 -0.8699 -0.8645 -0.8645 0.8846 0.8846 0.8861 0.8861 1.9926 1.9926 1.9963 1.9963 2.0663 2.0663 2.0714 2.0714 7.5468 7.5468 7.5493 7.5493 9.9814 9.9814 9.9856 9.9856 10.5635 10.5635 k = 0.1890 0.7739 0.4924 ( 5144 PWs) bands (ev): -22.2592 -22.2592 -22.2592 -22.2592 -16.0295 -16.0295 -16.0293 -16.0293 -13.4336 -13.4336 -13.4330 -13.4330 -7.0681 -7.0681 -7.0557 -7.0557 -6.3026 -6.3026 -6.2740 -6.2740 -6.1322 -6.1322 -6.1155 -6.1155 -4.0808 -4.0808 -4.0697 -4.0697 -1.4867 -1.4867 -1.4740 -1.4740 -0.8700 -0.8700 -0.8644 -0.8644 0.8843 0.8843 0.8859 0.8859 1.9976 1.9976 2.0015 2.0015 2.0658 2.0658 2.0718 2.0718 7.5465 7.5465 7.5491 7.5491 9.9726 9.9726 9.9768 9.9768 10.5746 10.5746 k = 0.2079 0.7739 0.4924 ( 5150 PWs) bands (ev): -22.2592 -22.2592 -22.2592 -22.2592 -16.0304 -16.0304 -16.0302 -16.0302 -13.4326 -13.4326 -13.4320 -13.4320 -7.0666 -7.0666 -7.0540 -7.0540 -6.3004 -6.3004 -6.2706 -6.2706 -6.1325 -6.1325 -6.1146 -6.1146 -4.0843 -4.0843 -4.0730 -4.0730 -1.4905 -1.4905 -1.4772 -1.4772 -0.8701 -0.8701 -0.8643 -0.8643 0.8840 0.8840 0.8857 0.8857 2.0022 2.0022 2.0061 2.0061 2.0656 2.0656 2.0726 2.0726 7.5461 7.5461 7.5488 7.5488 9.9639 9.9639 9.9681 9.9681 10.5842 10.5842 k = 0.2269 0.7739 0.4924 ( 5154 PWs) bands (ev): -22.2593 -22.2593 -22.2593 -22.2593 -16.0313 -16.0313 -16.0311 -16.0311 -13.4316 -13.4316 -13.4310 -13.4310 -7.0650 -7.0650 -7.0524 -7.0524 -6.2980 -6.2980 -6.2674 -6.2674 -6.1327 -6.1327 -6.1137 -6.1137 -4.0877 -4.0877 -4.0763 -4.0763 -1.4941 -1.4941 -1.4805 -1.4805 -0.8701 -0.8701 -0.8641 -0.8641 0.8838 0.8838 0.8855 0.8855 2.0061 2.0061 2.0102 2.0102 2.0656 2.0656 2.0737 2.0737 7.5457 7.5457 7.5485 7.5485 9.9556 9.9556 9.9598 9.9598 10.5919 10.5919 k = 0.2458 0.7739 0.4924 ( 5152 PWs) bands (ev): -22.2594 -22.2594 -22.2594 -22.2594 -16.0323 -16.0323 -16.0320 -16.0320 -13.4304 -13.4304 -13.4298 -13.4298 -7.0635 -7.0635 -7.0508 -7.0508 -6.2957 -6.2957 -6.2644 -6.2644 -6.1325 -6.1325 -6.1127 -6.1127 -4.0909 -4.0909 -4.0797 -4.0797 -1.4973 -1.4973 -1.4836 -1.4836 -0.8702 -0.8702 -0.8640 -0.8640 0.8837 0.8837 0.8855 0.8855 2.0090 2.0090 2.0134 2.0134 2.0661 2.0661 2.0752 2.0752 7.5453 7.5453 7.5481 7.5481 9.9477 9.9477 9.9518 9.9518 10.5975 10.5975 k = 0.2647 0.7739 0.4924 ( 5156 PWs) bands (ev): -22.2595 -22.2595 -22.2595 -22.2595 -16.0333 -16.0333 -16.0331 -16.0331 -13.4291 -13.4291 -13.4284 -13.4284 -7.0620 -7.0620 -7.0494 -7.0494 -6.2933 -6.2933 -6.2618 -6.2618 -6.1322 -6.1322 -6.1116 -6.1116 -4.0939 -4.0939 -4.0830 -4.0830 -1.5002 -1.5002 -1.4866 -1.4866 -0.8702 -0.8702 -0.8638 -0.8638 0.8838 0.8838 0.8855 0.8855 2.0108 2.0108 2.0155 2.0155 2.0671 2.0671 2.0771 2.0771 7.5447 7.5447 7.5476 7.5476 9.9403 9.9403 9.9443 9.9443 10.6011 10.6011 k = 0.2836 0.7739 0.4924 ( 5158 PWs) bands (ev): -22.2596 -22.2596 -22.2596 -22.2596 -16.0344 -16.0344 -16.0342 -16.0342 -13.4276 -13.4276 -13.4269 -13.4269 -7.0606 -7.0606 -7.0481 -7.0481 -6.2910 -6.2910 -6.2597 -6.2597 -6.1316 -6.1316 -6.1106 -6.1106 -4.0965 -4.0965 -4.0861 -4.0861 -1.5027 -1.5027 -1.4893 -1.4893 -0.8702 -0.8702 -0.8637 -0.8637 0.8839 0.8839 0.8856 0.8856 2.0115 2.0115 2.0166 2.0166 2.0685 2.0685 2.0793 2.0793 7.5441 7.5441 7.5470 7.5470 9.9335 9.9335 9.9375 9.9375 10.6028 10.6028 k = 0.2836 0.7739 0.4924 ( 5158 PWs) bands (ev): -22.2596 -22.2596 -22.2596 -22.2596 -16.0344 -16.0344 -16.0342 -16.0342 -13.4276 -13.4276 -13.4269 -13.4269 -7.0606 -7.0606 -7.0481 -7.0481 -6.2910 -6.2910 -6.2597 -6.2597 -6.1316 -6.1316 -6.1106 -6.1106 -4.0965 -4.0965 -4.0861 -4.0861 -1.5027 -1.5027 -1.4893 -1.4893 -0.8702 -0.8702 -0.8637 -0.8637 0.8839 0.8839 0.8856 0.8856 2.0115 2.0115 2.0166 2.0166 2.0685 2.0685 2.0793 2.0793 7.5441 7.5441 7.5470 7.5470 9.9335 9.9335 9.9375 9.9375 10.6028 10.6028 k = 0.2771 0.7563 0.4924 ( 5162 PWs) bands (ev): -22.2593 -22.2593 -22.2593 -22.2593 -16.0314 -16.0314 -16.0312 -16.0312 -13.4316 -13.4316 -13.4309 -13.4309 -7.0644 -7.0644 -7.0515 -7.0515 -6.2974 -6.2974 -6.2651 -6.2651 -6.1336 -6.1336 -6.1135 -6.1135 -4.0895 -4.0895 -4.0774 -4.0774 -1.4961 -1.4961 -1.4818 -1.4818 -0.8703 -0.8703 -0.8642 -0.8642 0.8834 0.8834 0.8853 0.8853 2.0095 2.0095 2.0138 2.0138 2.0648 2.0648 2.0734 2.0734 7.5458 7.5458 7.5486 7.5486 9.9520 9.9520 9.9562 9.9562 10.5985 10.5985 k = 0.2707 0.7387 0.4924 ( 5158 PWs) bands (ev): -22.2591 -22.2591 -22.2591 -22.2591 -16.0290 -16.0290 -16.0288 -16.0288 -13.4346 -13.4346 -13.4340 -13.4340 -7.0679 -7.0679 -7.0546 -7.0546 -6.3033 -6.3033 -6.2702 -6.2702 -6.1355 -6.1355 -6.1162 -6.1162 -4.0825 -4.0825 -4.0688 -4.0688 -1.4893 -1.4893 -1.4740 -1.4740 -0.8704 -0.8704 -0.8649 -0.8649 0.8833 0.8833 0.8853 0.8853 2.0042 2.0042 2.0088 2.0088 2.0625 2.0625 2.0687 2.0687 7.5469 7.5469 7.5497 7.5497 9.9703 9.9703 9.9749 9.9749 10.5912 10.5912 k = 0.2642 0.7211 0.4924 ( 5154 PWs) bands (ev): -22.2589 -22.2589 -22.2589 -22.2589 -16.0272 -16.0272 -16.0270 -16.0270 -13.4366 -13.4366 -13.4361 -13.4361 -7.0711 -7.0711 -7.0575 -7.0575 -6.3087 -6.3087 -6.2749 -6.2749 -6.1374 -6.1374 -6.1188 -6.1188 -4.0755 -4.0755 -4.0603 -4.0603 -1.4821 -1.4821 -1.4660 -1.4660 -0.8706 -0.8706 -0.8655 -0.8655 0.8836 0.8836 0.8857 0.8857 1.9960 1.9960 2.0018 2.0018 2.0610 2.0610 2.0650 2.0650 7.5476 7.5476 7.5504 7.5504 9.9882 9.9882 9.9931 9.9931 10.5819 10.5819 k = 0.2578 0.7035 0.4924 ( 5142 PWs) bands (ev): -22.2588 -22.2588 -22.2588 -22.2588 -16.0260 -16.0260 -16.0258 -16.0258 -13.4376 -13.4376 -13.4371 -13.4371 -7.0739 -7.0739 -7.0601 -7.0601 -6.3136 -6.3136 -6.2792 -6.2792 -6.1393 -6.1393 -6.1212 -6.1212 -4.0688 -4.0688 -4.0520 -4.0520 -1.4749 -1.4749 -1.4578 -1.4578 -0.8708 -0.8708 -0.8662 -0.8662 0.8843 0.8843 0.8865 0.8865 1.9860 1.9860 1.9930 1.9930 2.0597 2.0597 2.0620 2.0620 7.5478 7.5478 7.5506 7.5506 10.0052 10.0052 10.0108 10.0108 10.5715 10.5715 k = 0.2513 0.6859 0.4924 ( 5130 PWs) bands (ev): -22.2588 -22.2588 -22.2588 -22.2588 -16.0254 -16.0254 -16.0253 -16.0253 -13.4376 -13.4376 -13.4372 -13.4372 -7.0764 -7.0764 -7.0624 -7.0624 -6.3178 -6.3178 -6.2830 -6.2830 -6.1411 -6.1411 -6.1234 -6.1234 -4.0623 -4.0623 -4.0440 -4.0440 -1.4676 -1.4676 -1.4496 -1.4496 -0.8709 -0.8709 -0.8668 -0.8668 0.8853 0.8853 0.8877 0.8877 1.9750 1.9750 1.9830 1.9830 2.0581 2.0581 2.0594 2.0594 7.5474 7.5474 7.5502 7.5502 10.0211 10.0211 10.0276 10.0276 10.5611 10.5611 k = 0.2449 0.6684 0.4924 ( 5130 PWs) bands (ev): -22.2589 -22.2589 -22.2589 -22.2589 -16.0255 -16.0255 -16.0253 -16.0253 -13.4367 -13.4367 -13.4363 -13.4363 -7.0784 -7.0784 -7.0644 -7.0644 -6.3214 -6.3214 -6.2864 -6.2864 -6.1428 -6.1428 -6.1254 -6.1254 -4.0561 -4.0561 -4.0365 -4.0365 -1.4604 -1.4604 -1.4415 -1.4415 -0.8709 -0.8709 -0.8672 -0.8672 0.8867 0.8867 0.8892 0.8892 1.9633 1.9633 1.9722 1.9722 2.0559 2.0559 2.0569 2.0569 7.5465 7.5465 7.5492 7.5492 10.0356 10.0356 10.0431 10.0431 10.5514 10.5514 k = 0.2385 0.6508 0.4924 ( 5140 PWs) bands (ev): -22.2590 -22.2590 -22.2590 -22.2590 -16.0261 -16.0261 -16.0260 -16.0260 -13.4347 -13.4347 -13.4345 -13.4345 -7.0799 -7.0799 -7.0661 -7.0661 -6.3243 -6.3243 -6.2892 -6.2892 -6.1443 -6.1443 -6.1273 -6.1273 -4.0503 -4.0503 -4.0294 -4.0294 -1.4535 -1.4535 -1.4339 -1.4339 -0.8707 -0.8707 -0.8673 -0.8673 0.8884 0.8884 0.8910 0.8910 1.9513 1.9513 1.9609 1.9609 2.0528 2.0528 2.0544 2.0544 7.5449 7.5449 7.5477 7.5477 10.0481 10.0481 10.0569 10.0569 10.5433 10.5433 k = 0.2320 0.6332 0.4924 ( 5144 PWs) bands (ev): -22.2593 -22.2593 -22.2593 -22.2593 -16.0274 -16.0274 -16.0273 -16.0273 -13.4318 -13.4318 -13.4316 -13.4316 -7.0811 -7.0811 -7.0674 -7.0674 -6.3264 -6.3264 -6.2915 -6.2915 -6.1458 -6.1458 -6.1290 -6.1290 -4.0450 -4.0450 -4.0229 -4.0229 -1.4470 -1.4470 -1.4267 -1.4267 -0.8703 -0.8703 -0.8669 -0.8669 0.8904 0.8904 0.8932 0.8932 1.9394 1.9394 1.9494 1.9494 2.0493 2.0493 2.0515 2.0515 7.5427 7.5427 7.5455 7.5455 10.0584 10.0584 10.0687 10.0687 10.5375 10.5375 k = 0.2256 0.6156 0.4924 ( 5154 PWs) bands (ev): -22.2596 -22.2596 -22.2596 -22.2596 -16.0292 -16.0292 -16.0292 -16.0292 -13.4280 -13.4280 -13.4278 -13.4278 -7.0818 -7.0818 -7.0683 -7.0683 -6.3279 -6.3279 -6.2931 -6.2931 -6.1471 -6.1471 -6.1306 -6.1306 -4.0403 -4.0403 -4.0170 -4.0170 -1.4411 -1.4411 -1.4203 -1.4203 -0.8694 -0.8694 -0.8658 -0.8658 0.8927 0.8927 0.8956 0.8956 1.9275 1.9275 1.9380 1.9380 2.0453 2.0453 2.0480 2.0480 7.5399 7.5399 7.5427 7.5427 10.0662 10.0662 10.0781 10.0781 10.5344 10.5344 k = 0.2191 0.5980 0.4924 ( 5150 PWs) bands (ev): -22.2599 -22.2599 -22.2599 -22.2599 -16.0317 -16.0317 -16.0316 -16.0316 -13.4233 -13.4233 -13.4232 -13.4232 -7.0820 -7.0820 -7.0689 -7.0689 -6.3285 -6.3285 -6.2941 -6.2941 -6.1482 -6.1482 -6.1320 -6.1320 -4.0361 -4.0361 -4.0119 -4.0119 -1.4361 -1.4361 -1.4149 -1.4149 -0.8680 -0.8680 -0.8640 -0.8640 0.8952 0.8952 0.8983 0.8983 1.9160 1.9160 1.9269 1.9269 2.0408 2.0408 2.0441 2.0441 7.5363 7.5363 7.5392 7.5392 10.0710 10.0710 10.0847 10.0847 10.5343 10.5343 k = 0.2127 0.5804 0.4924 ( 5156 PWs) bands (ev): -22.2604 -22.2604 -22.2604 -22.2604 -16.0346 -16.0346 -16.0346 -16.0346 -13.4177 -13.4177 -13.4176 -13.4176 -7.0818 -7.0818 -7.0690 -7.0690 -6.3284 -6.3284 -6.2945 -6.2945 -6.1491 -6.1491 -6.1332 -6.1332 -4.0326 -4.0326 -4.0074 -4.0074 -1.4321 -1.4321 -1.4106 -1.4106 -0.8659 -0.8659 -0.8613 -0.8613 0.8979 0.8979 0.9012 0.9012 1.9048 1.9048 1.9162 1.9162 2.0360 2.0360 2.0398 2.0398 7.5320 7.5320 7.5350 7.5350 10.0728 10.0728 10.0884 10.0884 10.5372 10.5372 k = 0.2062 0.5628 0.4924 ( 5152 PWs) bands (ev): -22.2609 -22.2609 -22.2609 -22.2609 -16.0381 -16.0381 -16.0381 -16.0381 -13.4114 -13.4114 -13.4112 -13.4112 -7.0811 -7.0811 -7.0687 -7.0687 -6.3275 -6.3275 -6.2941 -6.2941 -6.1498 -6.1498 -6.1342 -6.1342 -4.0298 -4.0298 -4.0039 -4.0039 -1.4292 -1.4292 -1.4076 -1.4076 -0.8630 -0.8630 -0.8577 -0.8577 0.9008 0.9008 0.9043 0.9043 1.8943 1.8943 1.9060 1.9060 2.0307 2.0307 2.0351 2.0351 7.5270 7.5270 7.5300 7.5300 10.0716 10.0716 10.0889 10.0889 10.5428 10.5428 k = 0.1998 0.5452 0.4924 ( 5160 PWs) bands (ev): -22.2614 -22.2614 -22.2614 -22.2614 -16.0421 -16.0421 -16.0421 -16.0421 -13.4042 -13.4042 -13.4041 -13.4041 -7.0800 -7.0800 -7.0680 -7.0680 -6.3258 -6.3258 -6.2931 -6.2931 -6.1503 -6.1503 -6.1350 -6.1350 -4.0278 -4.0278 -4.0011 -4.0011 -1.4277 -1.4277 -1.4062 -1.4062 -0.8592 -0.8592 -0.8530 -0.8530 0.9038 0.9038 0.9075 0.9075 1.8844 1.8844 1.8965 1.8965 2.0252 2.0252 2.0301 2.0301 7.5211 7.5211 7.5243 7.5243 10.0673 10.0673 10.0862 10.0862 10.5508 10.5508 k = 0.1933 0.5276 0.4924 ( 5156 PWs) bands (ev): -22.2621 -22.2621 -22.2621 -22.2621 -16.0466 -16.0466 -16.0465 -16.0465 -13.3964 -13.3964 -13.3962 -13.3962 -7.0786 -7.0786 -7.0669 -7.0669 -6.3234 -6.3234 -6.2914 -6.2914 -6.1504 -6.1504 -6.1357 -6.1357 -4.0266 -4.0266 -3.9993 -3.9993 -1.4277 -1.4277 -1.4064 -1.4064 -0.8543 -0.8543 -0.8472 -0.8472 0.9070 0.9070 0.9109 0.9109 1.8753 1.8753 1.8878 1.8878 2.0194 2.0194 2.0248 2.0248 7.5145 7.5145 7.5178 7.5178 10.0599 10.0599 10.0803 10.0803 10.5606 10.5606 k = 0.1869 0.5101 0.4924 ( 5148 PWs) bands (ev): -22.2628 -22.2628 -22.2628 -22.2628 -16.0514 -16.0514 -16.0514 -16.0514 -13.3879 -13.3879 -13.3877 -13.3877 -7.0767 -7.0767 -7.0654 -7.0654 -6.3202 -6.3202 -6.2890 -6.2890 -6.1503 -6.1503 -6.1361 -6.1361 -4.0262 -4.0262 -3.9985 -3.9985 -1.4291 -1.4291 -1.4082 -1.4082 -0.8484 -0.8484 -0.8402 -0.8402 0.9102 0.9102 0.9143 0.9143 1.8670 1.8670 1.8799 1.8799 2.0135 2.0135 2.0195 2.0195 7.5070 7.5070 7.5104 7.5104 10.0496 10.0496 10.0712 10.0712 10.5715 10.5715 k = 0.1805 0.4925 0.4924 ( 5146 PWs) bands (ev): -22.2635 -22.2635 -22.2635 -22.2635 -16.0567 -16.0567 -16.0566 -16.0566 -13.3789 -13.3789 -13.3786 -13.3786 -7.0744 -7.0744 -7.0634 -7.0634 -6.3163 -6.3163 -6.2859 -6.2859 -6.1499 -6.1499 -6.1362 -6.1362 -4.0267 -4.0267 -3.9986 -3.9986 -1.4322 -1.4322 -1.4119 -1.4119 -0.8414 -0.8414 -0.8323 -0.8323 0.9134 0.9134 0.9177 0.9177 1.8596 1.8596 1.8730 1.8730 2.0075 2.0075 2.0142 2.0142 7.4987 7.4987 7.5022 7.5022 10.0363 10.0363 10.0588 10.0588 10.5829 10.5829 k = 0.1740 0.4749 0.4924 ( 5150 PWs) bands (ev): -22.2643 -22.2643 -22.2643 -22.2643 -16.0622 -16.0622 -16.0621 -16.0621 -13.3693 -13.3693 -13.3690 -13.3690 -7.0718 -7.0718 -7.0610 -7.0610 -6.3118 -6.3118 -6.2821 -6.2821 -6.1491 -6.1491 -6.1361 -6.1361 -4.0280 -4.0280 -3.9996 -3.9996 -1.4369 -1.4369 -1.4172 -1.4172 -0.8333 -0.8333 -0.8232 -0.8232 0.9167 0.9167 0.9211 0.9211 1.8531 1.8531 1.8671 1.8671 2.0016 2.0016 2.0089 2.0089 7.4895 7.4895 7.4931 7.4931 10.0200 10.0200 10.0432 10.0432 10.5941 10.5941 k = 0.1676 0.4573 0.4924 ( 5146 PWs) bands (ev): -22.2651 -22.2651 -22.2651 -22.2651 -16.0681 -16.0681 -16.0680 -16.0680 -13.3593 -13.3593 -13.3589 -13.3589 -7.0689 -7.0689 -7.0582 -7.0582 -6.3066 -6.3066 -6.2777 -6.2777 -6.1479 -6.1479 -6.1357 -6.1357 -4.0303 -4.0303 -4.0017 -4.0017 -1.4431 -1.4431 -1.4242 -1.4242 -0.8243 -0.8243 -0.8133 -0.8133 0.9199 0.9199 0.9246 0.9246 1.8477 1.8477 1.8622 1.8622 1.9958 1.9958 2.0037 2.0037 7.4795 7.4795 7.4832 7.4832 10.0007 10.0007 10.0243 10.0243 10.6047 10.6047 k = 0.1611 0.4397 0.4924 ( 5144 PWs) bands (ev): -22.2660 -22.2660 -22.2660 -22.2660 -16.0742 -16.0742 -16.0741 -16.0741 -13.3489 -13.3489 -13.3485 -13.3485 -7.0658 -7.0658 -7.0550 -7.0550 -6.3008 -6.3008 -6.2727 -6.2727 -6.1463 -6.1463 -6.1350 -6.1350 -4.0334 -4.0334 -4.0048 -4.0048 -1.4507 -1.4507 -1.4327 -1.4327 -0.8145 -0.8145 -0.8026 -0.8026 0.9231 0.9231 0.9279 0.9279 1.8432 1.8432 1.8584 1.8584 1.9901 1.9901 1.9988 1.9988 7.4685 7.4685 7.4724 7.4724 9.9783 9.9783 10.0020 10.0020 10.6141 10.6141 k = 0.1547 0.4221 0.4924 ( 5136 PWs) bands (ev): -22.2669 -22.2669 -22.2669 -22.2669 -16.0805 -16.0805 -16.0803 -16.0803 -13.3382 -13.3382 -13.3377 -13.3377 -7.0623 -7.0623 -7.0515 -7.0515 -6.2945 -6.2945 -6.2672 -6.2672 -6.1443 -6.1443 -6.1339 -6.1339 -4.0373 -4.0373 -4.0088 -4.0088 -1.4598 -1.4598 -1.4427 -1.4427 -0.8039 -0.8039 -0.7913 -0.7913 0.9263 0.9263 0.9312 0.9312 1.8398 1.8398 1.8556 1.8556 1.9847 1.9847 1.9942 1.9942 7.4568 7.4568 7.4607 7.4607 9.9528 9.9528 9.9764 9.9764 10.6223 10.6223 k = 0.1482 0.4045 0.4924 ( 5148 PWs) bands (ev): -22.2679 -22.2679 -22.2679 -22.2679 -16.0869 -16.0869 -16.0868 -16.0868 -13.3273 -13.3273 -13.3268 -13.3268 -7.0586 -7.0586 -7.0477 -7.0477 -6.2877 -6.2877 -6.2613 -6.2613 -6.1419 -6.1419 -6.1325 -6.1325 -4.0422 -4.0422 -4.0137 -4.0137 -1.4700 -1.4700 -1.4539 -1.4539 -0.7929 -0.7929 -0.7795 -0.7795 0.9293 0.9293 0.9344 0.9344 1.8373 1.8373 1.8538 1.8538 1.9797 1.9797 1.9900 1.9900 7.4442 7.4442 7.4482 7.4482 9.9244 9.9244 9.9475 9.9475 10.6292 10.6292 k = 0.1418 0.3869 0.4924 ( 5152 PWs) bands (ev): -22.2688 -22.2688 -22.2688 -22.2688 -16.0935 -16.0935 -16.0933 -16.0933 -13.3162 -13.3162 -13.3156 -13.3156 -7.0547 -7.0547 -7.0436 -7.0436 -6.2806 -6.2806 -6.2550 -6.2550 -6.1390 -6.1390 -6.1306 -6.1306 -4.0478 -4.0478 -4.0196 -4.0196 -1.4813 -1.4813 -1.4662 -1.4662 -0.7814 -0.7814 -0.7675 -0.7675 0.9323 0.9323 0.9376 0.9376 1.8358 1.8358 1.8530 1.8530 1.9751 1.9751 1.9863 1.9863 7.4307 7.4307 7.4348 7.4348 9.8930 9.8930 9.9155 9.9155 10.6347 10.6347 k = 0.1353 0.3694 0.4924 ( 5156 PWs) bands (ev): -22.2698 -22.2698 -22.2698 -22.2698 -16.1001 -16.1001 -16.0999 -16.0999 -13.3050 -13.3050 -13.3044 -13.3044 -7.0505 -7.0505 -7.0392 -7.0392 -6.2732 -6.2732 -6.2484 -6.2484 -6.1357 -6.1357 -6.1281 -6.1281 -4.0542 -4.0542 -4.0263 -4.0263 -1.4935 -1.4935 -1.4794 -1.4794 -0.7697 -0.7697 -0.7553 -0.7553 0.9352 0.9352 0.9405 0.9405 1.8352 1.8352 1.8532 1.8532 1.9710 1.9710 1.9831 1.9831 7.4165 7.4165 7.4207 7.4207 9.8591 9.8591 9.8807 9.8807 10.6388 10.6388 k = 0.1289 0.3518 0.4924 ( 5160 PWs) bands (ev): -22.2708 -22.2708 -22.2708 -22.2708 -16.1067 -16.1067 -16.1065 -16.1065 -13.2938 -13.2938 -13.2932 -13.2932 -7.0462 -7.0462 -7.0347 -7.0347 -6.2656 -6.2656 -6.2416 -6.2416 -6.1320 -6.1320 -6.1251 -6.1251 -4.0613 -4.0613 -4.0339 -4.0339 -1.5065 -1.5065 -1.4933 -1.4933 -0.7579 -0.7579 -0.7432 -0.7432 0.9380 0.9380 0.9434 0.9434 1.8355 1.8355 1.8542 1.8542 1.9676 1.9676 1.9804 1.9804 7.4016 7.4016 7.4058 7.4058 9.8228 9.8228 9.8435 9.8435 10.6414 10.6414 k = 0.1224 0.3342 0.4924 ( 5152 PWs) bands (ev): -22.2718 -22.2718 -22.2718 -22.2718 -16.1133 -16.1133 -16.1131 -16.1131 -13.2827 -13.2827 -13.2821 -13.2821 -7.0418 -7.0418 -7.0301 -7.0301 -6.2579 -6.2579 -6.2347 -6.2347 -6.1280 -6.1280 -6.1213 -6.1213 -4.0690 -4.0690 -4.0421 -4.0421 -1.5200 -1.5200 -1.5078 -1.5078 -0.7462 -0.7462 -0.7313 -0.7313 0.9407 0.9407 0.9461 0.9461 1.8365 1.8365 1.8559 1.8559 1.9648 1.9648 1.9785 1.9785 7.3861 7.3861 7.3903 7.3903 9.7847 9.7847 9.8043 9.8043 10.6421 10.6421 k = 0.1160 0.3166 0.4924 ( 5154 PWs) bands (ev): -22.2727 -22.2727 -22.2727 -22.2727 -16.1198 -16.1198 -16.1196 -16.1196 -13.2716 -13.2716 -13.2711 -13.2711 -7.0372 -7.0372 -7.0253 -7.0253 -6.2502 -6.2502 -6.2278 -6.2278 -6.1237 -6.1237 -6.1168 -6.1168 -4.0773 -4.0773 -4.0511 -4.0511 -1.5339 -1.5339 -1.5227 -1.5227 -0.7348 -0.7348 -0.7197 -0.7197 0.9432 0.9432 0.9486 0.9486 1.8382 1.8382 1.8582 1.8582 1.9627 1.9627 1.9773 1.9773 7.3699 7.3699 7.3742 7.3742 9.7452 9.7452 9.7636 9.7636 10.6407 10.6407 k = 0.1096 0.2990 0.4924 ( 5154 PWs) bands (ev): -22.2737 -22.2737 -22.2737 -22.2737 -16.1262 -16.1262 -16.1260 -16.1260 -13.2608 -13.2608 -13.2602 -13.2602 -7.0326 -7.0326 -7.0206 -7.0206 -6.2425 -6.2425 -6.2211 -6.2211 -6.1191 -6.1191 -6.1115 -6.1115 -4.0861 -4.0861 -4.0606 -4.0606 -1.5481 -1.5481 -1.5378 -1.5378 -0.7236 -0.7236 -0.7085 -0.7085 0.9456 0.9456 0.9510 0.9510 1.8404 1.8404 1.8609 1.8609 1.9615 1.9615 1.9768 1.9768 7.3534 7.3534 7.3576 7.3576 9.7048 9.7048 9.7221 9.7221 10.6370 10.6370 k = 0.1031 0.2814 0.4924 ( 5146 PWs) bands (ev): -22.2746 -22.2746 -22.2746 -22.2746 -16.1324 -16.1324 -16.1323 -16.1323 -13.2503 -13.2503 -13.2497 -13.2497 -7.0279 -7.0279 -7.0158 -7.0158 -6.2350 -6.2350 -6.2145 -6.2145 -6.1143 -6.1143 -6.1055 -6.1055 -4.0953 -4.0953 -4.0705 -4.0705 -1.5623 -1.5623 -1.5529 -1.5529 -0.7128 -0.7128 -0.6979 -0.6979 0.9479 0.9479 0.9532 0.9532 1.8431 1.8431 1.8639 1.8639 1.9613 1.9613 1.9770 1.9770 7.3364 7.3364 7.3407 7.3407 9.6640 9.6640 9.6801 9.6801 10.6308 10.6308 k = 0.0967 0.2638 0.4924 ( 5154 PWs) bands (ev): -22.2756 -22.2756 -22.2756 -22.2756 -16.1385 -16.1385 -16.1384 -16.1384 -13.2400 -13.2400 -13.2394 -13.2394 -7.0231 -7.0231 -7.0112 -7.0112 -6.2278 -6.2278 -6.2082 -6.2082 -6.1090 -6.1090 -6.0990 -6.0990 -4.1047 -4.1047 -4.0809 -4.0809 -1.5765 -1.5765 -1.5679 -1.5679 -0.7026 -0.7026 -0.6879 -0.6879 0.9501 0.9501 0.9553 0.9553 1.8460 1.8460 1.8670 1.8670 1.9620 1.9620 1.9781 1.9781 7.3193 7.3193 7.3235 7.3235 9.6233 9.6233 9.6382 9.6382 10.6224 10.6224 k = 0.0902 0.2462 0.4924 ( 5158 PWs) bands (ev): -22.2765 -22.2765 -22.2765 -22.2765 -16.1444 -16.1444 -16.1442 -16.1442 -13.2301 -13.2301 -13.2296 -13.2296 -7.0184 -7.0184 -7.0066 -7.0066 -6.2208 -6.2208 -6.2022 -6.2022 -6.1034 -6.1034 -6.0922 -6.0922 -4.1143 -4.1143 -4.0914 -4.0914 -1.5905 -1.5905 -1.5827 -1.5827 -0.6929 -0.6929 -0.6786 -0.6786 0.9521 0.9521 0.9572 0.9572 1.8492 1.8492 1.8700 1.8700 1.9637 1.9637 1.9799 1.9799 7.3021 7.3021 7.3062 7.3062 9.5832 9.5832 9.5970 9.5970 10.6120 10.6120 k = 0.0838 0.2286 0.4924 ( 5162 PWs) bands (ev): -22.2773 -22.2773 -22.2773 -22.2773 -16.1500 -16.1500 -16.1498 -16.1498 -13.2207 -13.2207 -13.2201 -13.2201 -7.0138 -7.0138 -7.0022 -7.0022 -6.2141 -6.2141 -6.1965 -6.1965 -6.0974 -6.0974 -6.0851 -6.0851 -4.1239 -4.1239 -4.1022 -4.1022 -1.6041 -1.6041 -1.5971 -1.5971 -0.6838 -0.6838 -0.6700 -0.6700 0.9540 0.9540 0.9589 0.9589 1.8525 1.8525 1.8727 1.8727 1.9665 1.9665 1.9824 1.9824 7.2849 7.2849 7.2889 7.2889 9.5442 9.5442 9.5568 9.5568 10.6000 10.6000 k = 0.0773 0.2111 0.4924 ( 5152 PWs) bands (ev): -22.2782 -22.2782 -22.2782 -22.2782 -16.1553 -16.1553 -16.1551 -16.1551 -13.2117 -13.2117 -13.2112 -13.2112 -7.0092 -7.0092 -6.9980 -6.9980 -6.2078 -6.2078 -6.1913 -6.1913 -6.0911 -6.0911 -6.0779 -6.0779 -4.1335 -4.1335 -4.1129 -4.1129 -1.6173 -1.6173 -1.6110 -1.6110 -0.6753 -0.6753 -0.6621 -0.6621 0.9558 0.9558 0.9605 0.9605 1.8557 1.8557 1.8752 1.8752 1.9701 1.9701 1.9855 1.9855 7.2680 7.2680 7.2719 7.2719 9.5067 9.5067 9.5182 9.5182 10.5870 10.5870 k = 0.0709 0.1935 0.4924 ( 5156 PWs) bands (ev): -22.2789 -22.2789 -22.2789 -22.2789 -16.1602 -16.1602 -16.1601 -16.1601 -13.2033 -13.2033 -13.2028 -13.2028 -7.0048 -7.0048 -6.9941 -6.9941 -6.2019 -6.2019 -6.1864 -6.1864 -6.0845 -6.0845 -6.0707 -6.0707 -4.1428 -4.1428 -4.1235 -4.1235 -1.6298 -1.6298 -1.6242 -1.6242 -0.6676 -0.6676 -0.6551 -0.6551 0.9574 0.9574 0.9619 0.9619 1.8589 1.8589 1.8772 1.8772 1.9746 1.9746 1.9892 1.9892 7.2515 7.2515 7.2553 7.2553 9.4710 9.4710 9.4814 9.4814 10.5733 10.5733 k = 0.0644 0.1759 0.4924 ( 5164 PWs) bands (ev): -22.2797 -22.2797 -22.2797 -22.2797 -16.1649 -16.1649 -16.1648 -16.1648 -13.1955 -13.1955 -13.1950 -13.1950 -7.0006 -7.0006 -6.9904 -6.9904 -6.1964 -6.1964 -6.1820 -6.1820 -6.0778 -6.0778 -6.0638 -6.0638 -4.1518 -4.1518 -4.1338 -4.1338 -1.6417 -1.6417 -1.6367 -1.6367 -0.6605 -0.6605 -0.6488 -0.6488 0.9589 0.9589 0.9631 0.9631 1.8619 1.8619 1.8789 1.8789 1.9797 1.9797 1.9933 1.9933 7.2357 7.2357 7.2392 7.2392 9.4375 9.4375 9.4468 9.4468 10.5594 10.5594 k = 0.0580 0.1583 0.4924 ( 5168 PWs) bands (ev): -22.2804 -22.2804 -22.2804 -22.2804 -16.1692 -16.1692 -16.1691 -16.1691 -13.1882 -13.1882 -13.1878 -13.1878 -6.9965 -6.9965 -6.9870 -6.9870 -6.1913 -6.1913 -6.1781 -6.1781 -6.0712 -6.0712 -6.0572 -6.0572 -4.1603 -4.1603 -4.1438 -4.1438 -1.6527 -1.6527 -1.6484 -1.6484 -0.6540 -0.6540 -0.6432 -0.6432 0.9603 0.9603 0.9642 0.9642 1.8647 1.8647 1.8802 1.8802 1.9852 1.9852 1.9976 1.9976 7.2206 7.2206 7.2239 7.2239 9.4065 9.4065 9.4148 9.4148 10.5457 10.5457 k = 0.0516 0.1407 0.4924 ( 5160 PWs) bands (ev): -22.2810 -22.2810 -22.2810 -22.2810 -16.1730 -16.1730 -16.1729 -16.1729 -13.1816 -13.1816 -13.1813 -13.1813 -6.9927 -6.9927 -6.9840 -6.9840 -6.1866 -6.1866 -6.1746 -6.1746 -6.0646 -6.0646 -6.0511 -6.0511 -4.1682 -4.1682 -4.1533 -4.1533 -1.6629 -1.6629 -1.6590 -1.6590 -0.6483 -0.6483 -0.6384 -0.6384 0.9616 0.9616 0.9651 0.9651 1.8674 1.8674 1.8812 1.8812 1.9910 1.9910 2.0020 2.0020 7.2066 7.2066 7.2096 7.2096 9.3782 9.3782 9.3855 9.3855 10.5327 10.5327 k = 0.0451 0.1231 0.4924 ( 5156 PWs) bands (ev): -22.2815 -22.2815 -22.2815 -22.2815 -16.1765 -16.1765 -16.1764 -16.1764 -13.1758 -13.1758 -13.1754 -13.1754 -6.9892 -6.9892 -6.9814 -6.9814 -6.1823 -6.1823 -6.1717 -6.1717 -6.0582 -6.0582 -6.0456 -6.0456 -4.1754 -4.1754 -4.1621 -4.1621 -1.6720 -1.6720 -1.6687 -1.6687 -0.6431 -0.6431 -0.6344 -0.6344 0.9628 0.9628 0.9659 0.9659 1.8698 1.8698 1.8819 1.8819 1.9967 1.9967 2.0063 2.0063 7.1937 7.1937 7.1964 7.1964 9.3528 9.3528 9.3591 9.3591 10.5205 10.5205 k = 0.0387 0.1055 0.4924 ( 5156 PWs) bands (ev): -22.2820 -22.2820 -22.2820 -22.2820 -16.1795 -16.1795 -16.1795 -16.1795 -13.1706 -13.1706 -13.1703 -13.1703 -6.9860 -6.9860 -6.9791 -6.9791 -6.1784 -6.1784 -6.1692 -6.1692 -6.0523 -6.0523 -6.0408 -6.0408 -4.1817 -4.1817 -4.1701 -4.1701 -1.6800 -1.6800 -1.6773 -1.6773 -0.6387 -0.6387 -0.6310 -0.6310 0.9638 0.9638 0.9665 0.9665 1.8720 1.8720 1.8824 1.8824 2.0021 2.0021 2.0104 2.0104 7.1821 7.1821 7.1845 7.1845 9.3305 9.3305 9.3359 9.3359 10.5095 10.5095 k = 0.0322 0.0879 0.4924 ( 5162 PWs) bands (ev): -22.2824 -22.2824 -22.2824 -22.2824 -16.1821 -16.1821 -16.1821 -16.1821 -13.1662 -13.1662 -13.1659 -13.1659 -6.9832 -6.9832 -6.9773 -6.9773 -6.1749 -6.1749 -6.1672 -6.1672 -6.0468 -6.0468 -6.0367 -6.0367 -4.1871 -4.1871 -4.1773 -4.1773 -1.6869 -1.6869 -1.6846 -1.6846 -0.6348 -0.6348 -0.6284 -0.6284 0.9647 0.9647 0.9670 0.9670 1.8740 1.8740 1.8826 1.8826 2.0072 2.0072 2.0141 2.0141 7.1721 7.1721 7.1741 7.1741 9.3115 9.3115 9.3160 9.3160 10.4999 10.4999 k = 0.0258 0.0704 0.4924 ( 5166 PWs) bands (ev): -22.2828 -22.2828 -22.2828 -22.2828 -16.1843 -16.1843 -16.1842 -16.1842 -13.1625 -13.1625 -13.1623 -13.1623 -6.9807 -6.9807 -6.9759 -6.9759 -6.1719 -6.1719 -6.1657 -6.1657 -6.0420 -6.0420 -6.0336 -6.0336 -4.1915 -4.1915 -4.1835 -4.1835 -1.6926 -1.6926 -1.6908 -1.6908 -0.6316 -0.6316 -0.6263 -0.6263 0.9655 0.9655 0.9673 0.9673 1.8757 1.8757 1.8826 1.8826 2.0117 2.0117 2.0171 2.0171 7.1637 7.1637 7.1653 7.1653 9.2959 9.2959 9.2994 9.2994 10.4918 10.4918 k = 0.0193 0.0528 0.4924 ( 5162 PWs) bands (ev): -22.2830 -22.2830 -22.2830 -22.2830 -16.1860 -16.1860 -16.1859 -16.1859 -13.1596 -13.1596 -13.1595 -13.1595 -6.9786 -6.9786 -6.9749 -6.9749 -6.1694 -6.1694 -6.1647 -6.1647 -6.0378 -6.0378 -6.0313 -6.0313 -4.1947 -4.1947 -4.1887 -4.1887 -1.6970 -1.6970 -1.6957 -1.6957 -0.6289 -0.6289 -0.6249 -0.6249 0.9661 0.9661 0.9676 0.9676 1.8773 1.8773 1.8824 1.8824 2.0155 2.0155 2.0195 2.0195 7.1571 7.1571 7.1583 7.1583 9.2838 9.2838 9.2864 9.2864 10.4855 10.4855 k = 0.0129 0.0352 0.4924 ( 5162 PWs) bands (ev): -22.2832 -22.2832 -22.2832 -22.2832 -16.1872 -16.1872 -16.1871 -16.1871 -13.1576 -13.1576 -13.1575 -13.1575 -6.9769 -6.9769 -6.9744 -6.9744 -6.1674 -6.1674 -6.1642 -6.1642 -6.0344 -6.0344 -6.0300 -6.0300 -4.1968 -4.1968 -4.1927 -4.1927 -1.7002 -1.7002 -1.6993 -1.6993 -0.6268 -0.6268 -0.6242 -0.6242 0.9667 0.9667 0.9676 0.9676 1.8786 1.8786 1.8820 1.8820 2.0184 2.0184 2.0211 2.0211 7.1523 7.1523 7.1532 7.1532 9.2752 9.2752 9.2769 9.2769 10.4809 10.4809 k = 0.0064 0.0176 0.4924 ( 5174 PWs) bands (ev): -22.2834 -22.2834 -22.2834 -22.2834 -16.1879 -16.1879 -16.1879 -16.1879 -13.1563 -13.1563 -13.1563 -13.1563 -6.9756 -6.9756 -6.9744 -6.9744 -6.1658 -6.1658 -6.1642 -6.1642 -6.0319 -6.0319 -6.0297 -6.0297 -4.1976 -4.1976 -4.1956 -4.1956 -1.7020 -1.7020 -1.7015 -1.7015 -0.6253 -0.6253 -0.6240 -0.6240 0.9671 0.9671 0.9676 0.9676 1.8798 1.8798 1.8815 1.8815 2.0205 2.0205 2.0219 2.0219 7.1495 7.1495 7.1500 7.1500 9.2701 9.2701 9.2710 9.2710 10.4783 10.4783 k = 0.0000 0.0000 0.4924 ( 5174 PWs) bands (ev): -22.2834 -22.2834 -22.2834 -22.2834 -16.1881 -16.1881 -16.1881 -16.1881 -13.1559 -13.1559 -13.1559 -13.1559 -6.9748 -6.9748 -6.9748 -6.9748 -6.1648 -6.1648 -6.1648 -6.1648 -6.0303 -6.0303 -6.0303 -6.0303 -4.1972 -4.1972 -4.1972 -4.1972 -1.7024 -1.7024 -1.7024 -1.7024 -0.6244 -0.6244 -0.6244 -0.6244 0.9674 0.9674 0.9674 0.9674 1.8807 1.8807 1.8807 1.8807 2.0216 2.0216 2.0216 2.0216 7.1488 7.1488 7.1488 7.1488 9.2688 9.2688 9.2688 9.2688 10.4775 10.4775 k = 0.0000 0.0000 0.4924 ( 5174 PWs) bands (ev): -22.2834 -22.2834 -22.2834 -22.2834 -16.1881 -16.1881 -16.1881 -16.1881 -13.1559 -13.1559 -13.1559 -13.1559 -6.9748 -6.9748 -6.9748 -6.9748 -6.1648 -6.1648 -6.1648 -6.1648 -6.0303 -6.0303 -6.0303 -6.0303 -4.1972 -4.1972 -4.1972 -4.1972 -1.7024 -1.7024 -1.7024 -1.7024 -0.6244 -0.6244 -0.6244 -0.6244 0.9674 0.9674 0.9674 0.9674 1.8807 1.8807 1.8807 1.8807 2.0216 2.0216 2.0216 2.0216 7.1488 7.1488 7.1488 7.1488 9.2688 9.2688 9.2688 9.2688 10.4775 10.4775 k = 0.0000 0.0000 0.4735 ( 5176 PWs) bands (ev): -22.2847 -22.2847 -22.2821 -22.2821 -16.1889 -16.1889 -16.1873 -16.1873 -13.1698 -13.1698 -13.1420 -13.1420 -6.9799 -6.9799 -6.9698 -6.9698 -6.1717 -6.1717 -6.1583 -6.1583 -6.0350 -6.0350 -6.0258 -6.0258 -4.2004 -4.2004 -4.1939 -4.1939 -1.7608 -1.7608 -1.6457 -1.6457 -0.6534 -0.6534 -0.5909 -0.5909 0.9668 0.9668 0.9695 0.9695 1.8667 1.8667 1.8949 1.8949 2.0159 2.0159 2.0274 2.0274 7.0221 7.0221 7.2741 7.2741 9.2505 9.2505 9.2863 9.2863 10.4667 10.4667 k = 0.0000 0.0000 0.4545 ( 5179 PWs) bands (ev): -22.2860 -22.2860 -22.2809 -22.2809 -16.1896 -16.1896 -16.1864 -16.1864 -13.1835 -13.1835 -13.1280 -13.1280 -6.9854 -6.9854 -6.9652 -6.9652 -6.1792 -6.1792 -6.1523 -6.1523 -6.0398 -6.0398 -6.0214 -6.0214 -4.2035 -4.2035 -4.1904 -4.1904 -1.8203 -1.8203 -1.5912 -1.5912 -0.6785 -0.6785 -0.5529 -0.5529 0.9677 0.9677 0.9731 0.9731 1.8530 1.8530 1.9094 1.9094 2.0101 2.0101 2.0332 2.0332 6.8945 6.8945 7.3980 7.3980 9.2312 9.2312 9.3033 9.3033 10.4527 10.4527 k = 0.0000 0.0000 0.4356 ( 5179 PWs) bands (ev): -22.2873 -22.2873 -22.2796 -22.2796 -16.1902 -16.1902 -16.1853 -16.1853 -13.1970 -13.1970 -13.1140 -13.1140 -6.9910 -6.9910 -6.9608 -6.9608 -6.1871 -6.1871 -6.1468 -6.1468 -6.0446 -6.0446 -6.0172 -6.0172 -4.2064 -4.2064 -4.1869 -4.1869 -1.8806 -1.8806 -1.5393 -1.5393 -0.7000 -0.7000 -0.5100 -0.5100 0.9701 0.9701 0.9780 0.9780 1.8395 1.8395 1.9240 1.9240 2.0044 2.0044 2.0390 2.0390 6.7661 6.7661 7.5200 7.5200 9.2109 9.2109 9.3199 9.3199 10.4368 10.4368 k = 0.0000 0.0000 0.4166 ( 5175 PWs) bands (ev): -22.2886 -22.2886 -22.2784 -22.2784 -16.1907 -16.1907 -16.1843 -16.1843 -13.2103 -13.2103 -13.1001 -13.1001 -6.9968 -6.9968 -6.9567 -6.9567 -6.1954 -6.1954 -6.1418 -6.1418 -6.0493 -6.0493 -6.0133 -6.0133 -4.2092 -4.2092 -4.1833 -4.1833 -1.9411 -1.9411 -1.4903 -1.4903 -0.7182 -0.7182 -0.4621 -0.4621 0.9740 0.9740 0.9843 0.9843 1.8264 1.8264 1.9387 1.9387 1.9987 1.9987 2.0446 2.0446 6.6372 6.6372 7.6400 7.6400 9.1893 9.1893 9.3364 9.3364 10.4204 10.4204 k = 0.0000 0.0000 0.3977 ( 5175 PWs) bands (ev): -22.2899 -22.2899 -22.2772 -22.2772 -16.1911 -16.1911 -16.1831 -16.1831 -13.2234 -13.2234 -13.0863 -13.0863 -7.0029 -7.0029 -6.9528 -6.9528 -6.2040 -6.2040 -6.1374 -6.1374 -6.0540 -6.0540 -6.0097 -6.0097 -4.2118 -4.2118 -4.1796 -4.1796 -2.0014 -2.0014 -1.4444 -1.4444 -0.7335 -0.7335 -0.4092 -0.4092 0.9793 0.9793 0.9918 0.9918 1.8136 1.8136 1.9536 1.9536 1.9932 1.9932 2.0503 2.0503 6.5081 6.5081 7.7577 7.7577 9.1664 9.1664 9.3531 9.3531 10.4043 10.4043 k = 0.0000 0.0000 0.3788 ( 5183 PWs) bands (ev): -22.2911 -22.2911 -22.2760 -22.2760 -16.1915 -16.1915 -16.1819 -16.1819 -13.2361 -13.2361 -13.0727 -13.0727 -7.0090 -7.0090 -6.9493 -6.9493 -6.2129 -6.2129 -6.1335 -6.1335 -6.0585 -6.0585 -6.0064 -6.0064 -4.2143 -4.2143 -4.1758 -4.1758 -2.0610 -2.0610 -1.4018 -1.4018 -0.7463 -0.7463 -0.3515 -0.3515 0.9860 0.9860 1.0004 1.0004 1.8011 1.8011 1.9683 1.9683 1.9881 1.9881 2.0558 2.0558 6.3791 6.3791 7.8727 7.8727 9.1421 9.1421 9.3701 9.3701 10.3893 10.3893 k = 0.0000 0.0000 0.3598 ( 5167 PWs) bands (ev): -22.2924 -22.2924 -22.2749 -22.2749 -16.1917 -16.1917 -16.1807 -16.1807 -13.2485 -13.2485 -13.0594 -13.0594 -7.0153 -7.0153 -6.9460 -6.9460 -6.2221 -6.2221 -6.1302 -6.1302 -6.0628 -6.0628 -6.0034 -6.0034 -4.2165 -4.2165 -4.1721 -4.1721 -2.1196 -2.1196 -1.3625 -1.3625 -0.7568 -0.7568 -0.2893 -0.2893 0.9938 0.9938 1.0100 1.0100 1.7891 1.7891 1.9795 1.9795 1.9866 1.9866 2.0612 2.0612 6.2506 6.2506 7.9848 7.9848 9.1165 9.1165 9.3877 9.3877 10.3538 10.3538 k = 0.0000 0.0000 0.3409 ( 5165 PWs) bands (ev): -22.2936 -22.2936 -22.2738 -22.2738 -16.1919 -16.1919 -16.1794 -16.1794 -13.2604 -13.2604 -13.0463 -13.0463 -7.0216 -7.0216 -6.9430 -6.9430 -6.2314 -6.2314 -6.1274 -6.1274 -6.0668 -6.0668 -6.0007 -6.0007 -4.2186 -4.2186 -4.1683 -4.1683 -2.1768 -2.1768 -1.3265 -1.3265 -0.7654 -0.7654 -0.2230 -0.2230 1.0029 1.0029 1.0204 1.0204 1.7774 1.7774 1.9763 1.9763 1.9997 1.9997 2.0666 2.0666 6.1228 6.1228 8.0936 8.0936 9.0895 9.0895 9.4061 9.4061 10.3082 10.3082 k = 0.0000 0.0000 0.3220 ( 5167 PWs) bands (ev): -22.2948 -22.2948 -22.2727 -22.2727 -16.1921 -16.1921 -16.1781 -16.1781 -13.2720 -13.2720 -13.0335 -13.0335 -7.0280 -7.0280 -6.9403 -6.9403 -6.2408 -6.2408 -6.1252 -6.1252 -6.0705 -6.0705 -5.9984 -5.9984 -4.2206 -4.2206 -4.1646 -4.1646 -2.2324 -2.2324 -1.2935 -1.2935 -0.7722 -0.7722 -0.1531 -0.1531 1.0129 1.0129 1.0314 1.0314 1.7661 1.7661 1.9715 1.9715 2.0147 2.0147 2.0718 2.0718 5.9960 5.9960 8.1986 8.1986 9.0615 9.0615 9.4255 9.4255 10.2599 10.2599 k = 0.0000 0.0000 0.3030 ( 5177 PWs) bands (ev): -22.2959 -22.2959 -22.2717 -22.2717 -16.1921 -16.1921 -16.1768 -16.1768 -13.2830 -13.2830 -13.0212 -13.0212 -7.0344 -7.0344 -6.9379 -6.9379 -6.2502 -6.2502 -6.1235 -6.1235 -6.0739 -6.0739 -5.9963 -5.9963 -4.2223 -4.2223 -4.1609 -4.1609 -2.2860 -2.2860 -1.2634 -1.2634 -0.7777 -0.7777 -0.0801 -0.0801 1.0238 1.0238 1.0428 1.0428 1.7553 1.7553 1.9667 1.9667 2.0296 2.0296 2.0771 2.0771 5.8708 5.8708 8.2995 8.2995 9.0324 9.0324 9.4461 9.4461 10.2102 10.2102 k = 0.0000 0.0000 0.2841 ( 5177 PWs) bands (ev): -22.2971 -22.2971 -22.2708 -22.2708 -16.1922 -16.1922 -16.1754 -16.1754 -13.2936 -13.2936 -13.0093 -13.0093 -7.0408 -7.0408 -6.9357 -6.9357 -6.2595 -6.2595 -6.1225 -6.1225 -6.0768 -6.0768 -5.9945 -5.9945 -4.2239 -4.2239 -4.1573 -4.1573 -2.3374 -2.3374 -1.2360 -1.2360 -0.7818 -0.7818 -0.0048 -0.0048 1.0353 1.0353 1.0544 1.0544 1.7450 1.7450 1.9620 1.9620 2.0444 2.0444 2.0823 2.0823 5.7476 5.7476 8.3959 8.3959 9.0027 9.0027 9.4678 9.4678 10.1607 10.1607 k = 0.0000 0.0000 0.2651 ( 5179 PWs) bands (ev): -22.2981 -22.2981 -22.2699 -22.2699 -16.1921 -16.1921 -16.1741 -16.1741 -13.3036 -13.3036 -12.9978 -12.9978 -7.0471 -7.0471 -6.9337 -6.9337 -6.2687 -6.2687 -6.1219 -6.1219 -6.0793 -6.0793 -5.9929 -5.9929 -4.2254 -4.2254 -4.1538 -4.1538 -2.3865 -2.3865 -1.2110 -1.2110 -0.7850 -0.7850 0.0722 0.0722 1.0473 1.0473 1.0661 1.0661 1.7352 1.7352 1.9576 1.9576 2.0587 2.0587 2.0879 2.0879 5.6267 5.6267 8.4874 8.4874 8.9726 8.9726 9.4905 9.4905 10.1127 10.1127 k = 0.0000 0.0000 0.2462 ( 5183 PWs) bands (ev): -22.2992 -22.2992 -22.2690 -22.2690 -16.1920 -16.1920 -16.1728 -16.1728 -13.3131 -13.3131 -12.9870 -12.9870 -7.0532 -7.0532 -6.9320 -6.9320 -6.2776 -6.2776 -6.1218 -6.1218 -6.0815 -6.0815 -5.9916 -5.9916 -4.2267 -4.2267 -4.1504 -4.1504 -2.4329 -2.4329 -1.1884 -1.1884 -0.7873 -0.7873 0.1503 0.1503 1.0595 1.0595 1.0775 1.0775 1.7258 1.7258 1.9533 1.9533 2.0718 2.0718 2.0945 2.0945 5.5088 5.5088 8.5735 8.5735 8.9424 8.9424 9.5138 9.5138 10.0674 10.0674 k = 0.0000 0.0000 0.2273 ( 5177 PWs) bands (ev): -22.3001 -22.3001 -22.2682 -22.2682 -16.1919 -16.1919 -16.1716 -16.1716 -13.3219 -13.3219 -12.9767 -12.9767 -7.0592 -7.0592 -6.9305 -6.9305 -6.2861 -6.2861 -6.1222 -6.1222 -6.0833 -6.0833 -5.9905 -5.9905 -4.2279 -4.2279 -4.1472 -4.1472 -2.4765 -2.4765 -1.1680 -1.1680 -0.7888 -0.7888 0.2286 0.2286 1.0716 1.0716 1.0886 1.0886 1.7171 1.7171 1.9493 1.9493 2.0823 2.0823 2.1032 2.1032 5.3945 5.3945 8.6539 8.6539 8.9125 8.9125 9.5368 9.5368 10.0265 10.0265 k = 0.0000 0.0000 0.2083 ( 5179 PWs) bands (ev): -22.3010 -22.3010 -22.2675 -22.2675 -16.1918 -16.1918 -16.1703 -16.1703 -13.3302 -13.3302 -12.9670 -12.9670 -7.0649 -7.0649 -6.9292 -6.9292 -6.2943 -6.2943 -6.1229 -6.1229 -6.0847 -6.0847 -5.9895 -5.9895 -4.2289 -4.2289 -4.1441 -4.1441 -2.5172 -2.5172 -1.1495 -1.1495 -0.7898 -0.7898 0.3064 0.3064 1.0831 1.0831 1.0993 1.0993 1.7088 1.7088 1.9456 1.9456 2.0897 2.0897 2.1147 2.1147 5.2844 5.2844 8.7283 8.7283 8.8832 8.8832 9.5579 9.5579 9.9921 9.9921 k = 0.0000 0.0000 0.1894 ( 5183 PWs) bands (ev): -22.3019 -22.3019 -22.2668 -22.2668 -16.1916 -16.1916 -16.1692 -16.1692 -13.3378 -13.3378 -12.9580 -12.9580 -7.0703 -7.0703 -6.9281 -6.9281 -6.3020 -6.3020 -6.1239 -6.1239 -6.0859 -6.0859 -5.9887 -5.9887 -4.2298 -4.2298 -4.1412 -4.1412 -2.5548 -2.5548 -1.1329 -1.1329 -0.7903 -0.7903 0.3830 0.3830 1.0934 1.0934 1.1097 1.1097 1.7012 1.7012 1.9421 1.9421 2.0949 2.0949 2.1279 2.1279 5.1791 5.1791 8.7966 8.7966 8.8549 8.8549 9.5745 9.5745 9.9667 9.9667 k = 0.0000 0.0000 0.1704 ( 5189 PWs) bands (ev): -22.3026 -22.3026 -22.2662 -22.2662 -16.1914 -16.1914 -16.1681 -16.1681 -13.3448 -13.3448 -12.9498 -12.9498 -7.0754 -7.0754 -6.9271 -6.9271 -6.3092 -6.3092 -6.1250 -6.1250 -6.0869 -6.0869 -5.9881 -5.9881 -4.2306 -4.2306 -4.1386 -4.1386 -2.5892 -2.5892 -1.1180 -1.1180 -0.7905 -0.7905 0.4576 0.4576 1.1019 1.1019 1.1199 1.1199 1.6942 1.6942 1.9389 1.9389 2.0989 2.0989 2.1416 2.1416 5.0796 5.0796 8.8280 8.8280 8.8588 8.8588 9.5838 9.5838 9.9533 9.9533 k = 0.0000 0.0000 0.1515 ( 5185 PWs) bands (ev): -22.3033 -22.3033 -22.2656 -22.2656 -16.1913 -16.1913 -16.1671 -16.1671 -13.3510 -13.3510 -12.9423 -12.9423 -7.0801 -7.0801 -6.9263 -6.9263 -6.3157 -6.3157 -6.1261 -6.1261 -6.0877 -6.0877 -5.9875 -5.9875 -4.2312 -4.2312 -4.1361 -4.1361 -2.6203 -2.6203 -1.1049 -1.1049 -0.7904 -0.7904 0.5295 0.5295 1.1080 1.1080 1.1300 1.1300 1.6878 1.6878 1.9361 1.9361 2.1022 2.1022 2.1552 2.1552 4.9866 4.9866 8.8029 8.8029 8.9151 8.9151 9.5834 9.5834 9.9537 9.9537 k = 0.0000 0.0000 0.1326 ( 5189 PWs) bands (ev): -22.3040 -22.3040 -22.2651 -22.2651 -16.1911 -16.1911 -16.1662 -16.1662 -13.3566 -13.3566 -12.9356 -12.9356 -7.0844 -7.0844 -6.9256 -6.9256 -6.3217 -6.3217 -6.1273 -6.1273 -6.0884 -6.0884 -5.9870 -5.9870 -4.2318 -4.2318 -4.1339 -4.1339 -2.6479 -2.6479 -1.0934 -1.0934 -0.7901 -0.7901 0.5978 0.5978 1.1114 1.1114 1.1398 1.1398 1.6821 1.6821 1.9335 1.9335 2.1051 2.1051 2.1684 2.1684 4.9012 4.9012 8.7798 8.7798 8.9658 8.9658 9.5735 9.5735 9.9673 9.9673 k = 0.0000 0.0000 0.1136 ( 5187 PWs) bands (ev): -22.3045 -22.3045 -22.2647 -22.2647 -16.1909 -16.1909 -16.1654 -16.1654 -13.3615 -13.3615 -12.9297 -12.9297 -7.0882 -7.0882 -6.9251 -6.9251 -6.3269 -6.3269 -6.1284 -6.1284 -6.0890 -6.0890 -5.9867 -5.9867 -4.2323 -4.2323 -4.1319 -4.1319 -2.6720 -2.6720 -1.0835 -1.0835 -0.7897 -0.7897 0.6616 0.6616 1.1121 1.1121 1.1489 1.1489 1.6770 1.6770 1.9313 1.9313 2.1075 2.1075 2.1807 2.1807 4.8242 4.8242 8.7591 8.7591 9.0111 9.0111 9.5563 9.5563 9.9911 9.9911 k = 0.0000 0.0000 0.0947 ( 5191 PWs) bands (ev): -22.3050 -22.3050 -22.2643 -22.2643 -16.1908 -16.1908 -16.1647 -16.1647 -13.3656 -13.3656 -12.9247 -12.9247 -7.0915 -7.0915 -6.9246 -6.9246 -6.3314 -6.3314 -6.1294 -6.1294 -6.0895 -6.0895 -5.9864 -5.9864 -4.2327 -4.2327 -4.1302 -4.1302 -2.6926 -2.6926 -1.0752 -1.0752 -0.7893 -0.7893 0.7202 0.7202 1.1101 1.1101 1.1571 1.1571 1.6727 1.6727 1.9294 1.9294 2.1095 2.1095 2.1920 2.1920 4.7568 4.7568 8.7411 8.7411 9.0512 9.0512 9.5347 9.5347 10.0210 10.0210 k = 0.0000 0.0000 0.0758 ( 5187 PWs) bands (ev): -22.3054 -22.3054 -22.2640 -22.2640 -16.1907 -16.1907 -16.1641 -16.1641 -13.3690 -13.3690 -12.9206 -12.9206 -7.0942 -7.0942 -6.9243 -6.9243 -6.3351 -6.3351 -6.1302 -6.1302 -6.0899 -6.0899 -5.9861 -5.9861 -4.2330 -4.2330 -4.1289 -4.1289 -2.7094 -2.7094 -1.0684 -1.0684 -0.7889 -0.7889 0.7724 0.7724 1.1056 1.1056 1.1641 1.1641 1.6691 1.6691 1.9278 1.9278 2.1111 2.1111 2.2019 2.2019 4.6999 4.6999 8.7260 8.7260 9.0861 9.0861 9.5118 9.5118 10.0531 10.0531 k = 0.0000 0.0000 0.0568 ( 5195 PWs) bands (ev): -22.3057 -22.3057 -22.2638 -22.2638 -16.1906 -16.1906 -16.1636 -16.1636 -13.3716 -13.3716 -12.9173 -12.9173 -7.0964 -7.0964 -6.9240 -6.9240 -6.3380 -6.3380 -6.1309 -6.1309 -6.0902 -6.0902 -5.9859 -5.9859 -4.2332 -4.2332 -4.1278 -4.1278 -2.7226 -2.7226 -1.0632 -1.0632 -0.7886 -0.7886 0.8169 0.8169 1.0990 1.0990 1.1697 1.1697 1.6663 1.6663 1.9266 1.9266 2.1124 2.1124 2.2100 2.2100 4.6544 4.6544 8.7141 8.7141 9.1154 9.1154 9.4900 9.4900 10.0836 10.0836 k = 0.0000 0.0000 0.0379 ( 5193 PWs) bands (ev): -22.3059 -22.3059 -22.2636 -22.2636 -16.1905 -16.1905 -16.1633 -16.1633 -13.3735 -13.3735 -12.9150 -12.9150 -7.0980 -7.0980 -6.9239 -6.9239 -6.3401 -6.3401 -6.1314 -6.1314 -6.0905 -6.0905 -5.9858 -5.9858 -4.2333 -4.2333 -4.1270 -4.1270 -2.7321 -2.7321 -1.0594 -1.0594 -0.7883 -0.7883 0.8520 0.8520 1.0916 1.0916 1.1739 1.1739 1.6643 1.6643 1.9257 1.9257 2.1133 2.1133 2.2161 2.2161 4.6213 4.6213 8.7054 8.7054 9.1381 9.1381 9.4717 9.4717 10.1091 10.1091 k = 0.0000 0.0000 0.0189 ( 5197 PWs) bands (ev): -22.3060 -22.3060 -22.2635 -22.2635 -16.1904 -16.1904 -16.1631 -16.1631 -13.3747 -13.3747 -12.9136 -12.9136 -7.0989 -7.0989 -6.9238 -6.9238 -6.3413 -6.3413 -6.1317 -6.1317 -6.0906 -6.0906 -5.9857 -5.9857 -4.2335 -4.2335 -4.1265 -4.1265 -2.7378 -2.7378 -1.0572 -1.0572 -0.7882 -0.7882 0.8750 0.8750 1.0853 1.0853 1.1764 1.1764 1.6631 1.6631 1.9252 1.9252 2.1138 2.1138 2.2198 2.2198 4.6011 4.6011 8.7002 8.7002 9.1528 9.1528 9.4594 9.4594 10.1261 10.1261 k = 0.0000 0.0000 0.0000 ( 5207 PWs) bands (ev): -22.3061 -22.3061 -22.2635 -22.2635 -16.1904 -16.1904 -16.1630 -16.1630 -13.3750 -13.3750 -12.9132 -12.9132 -7.0992 -7.0992 -6.9237 -6.9237 -6.3418 -6.3418 -6.1318 -6.1318 -6.0907 -6.0907 -5.9857 -5.9857 -4.2335 -4.2335 -4.1264 -4.1264 -2.7397 -2.7397 -1.0564 -1.0564 -0.7881 -0.7881 0.8831 0.8831 1.0828 1.0828 1.1772 1.1772 1.6627 1.6627 1.9250 1.9250 2.1140 2.1140 2.2211 2.2211 4.5943 4.5943 8.6984 8.6984 9.1579 9.1579 9.4550 9.4550 10.1322 10.1322 k = 0.0000 0.0000 0.0000 ( 5207 PWs) bands (ev): -22.3061 -22.3061 -22.2635 -22.2635 -16.1904 -16.1904 -16.1630 -16.1630 -13.3750 -13.3750 -12.9132 -12.9132 -7.0992 -7.0992 -6.9237 -6.9237 -6.3418 -6.3418 -6.1318 -6.1318 -6.0907 -6.0907 -5.9857 -5.9857 -4.2335 -4.2335 -4.1264 -4.1264 -2.7397 -2.7397 -1.0564 -1.0564 -0.7881 -0.7881 0.8831 0.8831 1.0828 1.0828 1.1772 1.1772 1.6627 1.6627 1.9250 1.9250 2.1140 2.1140 2.2211 2.2211 4.5943 4.5943 8.6984 8.6984 9.1579 9.1579 9.4550 9.4550 10.1322 10.1322 k =-0.0179 0.0065 0.0000 ( 5209 PWs) bands (ev): -22.3061 -22.3061 -22.2635 -22.2635 -16.1905 -16.1905 -16.1631 -16.1630 -13.3750 -13.3750 -12.9131 -12.9131 -7.1010 -7.0972 -6.9250 -6.9224 -6.3443 -6.3387 -6.1329 -6.1311 -6.0925 -6.0889 -5.9863 -5.9851 -4.2332 -4.2332 -4.1261 -4.1261 -2.7398 -2.7396 -1.0571 -1.0556 -0.7887 -0.7869 0.8810 0.8833 1.0825 1.0827 1.1758 1.1784 1.6615 1.6620 1.9245 1.9245 2.1138 2.1138 2.2211 2.2212 4.5959 4.5961 8.6954 8.6955 9.1593 9.1596 9.4578 9.4582 10.1301 10.1307 k =-0.0357 0.0131 0.0000 ( 5205 PWs) bands (ev): -22.3060 -22.3060 -22.2636 -22.2636 -16.1908 -16.1908 -16.1631 -16.1631 -13.3750 -13.3750 -12.9131 -12.9131 -7.1026 -7.0949 -6.9264 -6.9212 -6.3464 -6.3353 -6.1342 -6.1308 -6.0943 -6.0872 -5.9869 -5.9846 -4.2322 -4.2322 -4.1253 -4.1253 -2.7401 -2.7395 -1.0575 -1.0547 -0.7886 -0.7850 0.8769 0.8816 1.0818 1.0822 1.1743 1.1794 1.6585 1.6596 1.9232 1.9232 2.1131 2.1131 2.2212 2.2215 4.6006 4.6010 8.6867 8.6869 9.1635 9.1641 9.4668 9.4675 10.1242 10.1256 k =-0.0536 0.0196 0.0000 ( 5193 PWs) bands (ev): -22.3058 -22.3058 -22.2636 -22.2636 -16.1912 -16.1912 -16.1633 -16.1632 -13.3749 -13.3748 -12.9130 -12.9129 -7.1039 -7.0924 -6.9277 -6.9200 -6.3480 -6.3314 -6.1357 -6.1308 -6.0961 -6.0854 -5.9875 -5.9841 -4.2306 -4.2306 -4.1240 -4.1239 -2.7404 -2.7396 -1.0578 -1.0536 -0.7879 -0.7824 0.8711 0.8780 1.0808 1.0813 1.1726 1.1801 1.6539 1.6556 1.9209 1.9210 2.1120 2.1120 2.2215 2.2220 4.6086 4.6092 8.6731 8.6734 9.1699 9.1709 9.4814 9.4826 10.1142 10.1165 k =-0.0714 0.0262 0.0000 ( 5181 PWs) bands (ev): -22.3056 -22.3056 -22.2637 -22.2637 -16.1918 -16.1918 -16.1634 -16.1633 -13.3747 -13.3747 -12.9128 -12.9128 -7.1050 -7.0898 -6.9290 -6.9188 -6.3491 -6.3272 -6.1375 -6.1312 -6.0980 -6.0837 -5.9881 -5.9836 -4.2283 -4.2283 -4.1221 -4.1221 -2.7407 -2.7397 -1.0579 -1.0524 -0.7865 -0.7794 0.8637 0.8725 1.0794 1.0800 1.1705 1.1802 1.6478 1.6500 1.9179 1.9180 2.1105 2.1105 2.2219 2.2225 4.6195 4.6203 8.6557 8.6561 9.1777 9.1789 9.5012 9.5028 10.0997 10.1032 k =-0.0893 0.0327 0.0000 ( 5195 PWs) bands (ev): -22.3053 -22.3053 -22.2639 -22.2639 -16.1926 -16.1925 -16.1636 -16.1635 -13.3745 -13.3745 -12.9126 -12.9126 -7.1057 -7.0870 -6.9303 -6.9177 -6.3498 -6.3227 -6.1394 -6.1319 -6.0999 -6.0820 -5.9887 -5.9832 -4.2255 -4.2255 -4.1198 -4.1197 -2.7412 -2.7398 -1.0578 -1.0511 -0.7845 -0.7758 0.8547 0.8653 1.0777 1.0784 1.1681 1.1796 1.6405 1.6431 1.9140 1.9141 2.1085 2.1086 2.2225 2.2232 4.6333 4.6342 8.6355 8.6361 9.1862 9.1877 9.5252 9.5273 10.0809 10.0856 k =-0.1071 0.0393 0.0000 ( 5197 PWs) bands (ev): -22.3050 -22.3050 -22.2641 -22.2641 -16.1935 -16.1934 -16.1639 -16.1638 -13.3743 -13.3743 -12.9124 -12.9123 -7.1062 -7.0842 -6.9315 -6.9166 -6.3499 -6.3179 -6.1414 -6.1330 -6.1019 -6.0803 -5.9893 -5.9829 -4.2221 -4.2221 -4.1171 -4.1170 -2.7416 -2.7401 -1.0574 -1.0496 -0.7819 -0.7717 0.8444 0.8565 1.0757 1.0764 1.1650 1.1782 1.6322 1.6353 1.9093 1.9095 2.1062 2.1062 2.2231 2.2239 4.6496 4.6506 8.6136 8.6144 9.1949 9.1967 9.5518 9.5545 10.0585 10.0645 k =-0.1250 0.0458 0.0000 ( 5189 PWs) bands (ev): -22.3046 -22.3046 -22.2643 -22.2643 -16.1945 -16.1944 -16.1642 -16.1641 -13.3740 -13.3740 -12.9121 -12.9121 -7.1064 -7.0812 -6.9327 -6.9157 -6.3495 -6.3129 -6.1435 -6.1344 -6.1039 -6.0786 -5.9899 -5.9826 -4.2182 -4.2182 -4.1139 -4.1138 -2.7422 -2.7404 -1.0568 -1.0480 -0.7787 -0.7672 0.8329 0.8464 1.0735 1.0742 1.1611 1.1756 1.6233 1.6268 1.9040 1.9042 2.1035 2.1036 2.2239 2.2248 4.6682 4.6694 8.5908 8.5918 9.2039 9.2059 9.5789 9.5820 10.0349 10.0419 k =-0.1429 0.0523 0.0000 ( 5195 PWs) bands (ev): -22.3042 -22.3042 -22.2645 -22.2645 -16.1956 -16.1956 -16.1645 -16.1644 -13.3737 -13.3737 -12.9119 -12.9118 -7.1064 -7.0783 -6.9339 -6.9148 -6.3486 -6.3078 -6.1457 -6.1361 -6.1059 -6.0770 -5.9904 -5.9824 -4.2138 -4.2138 -4.1103 -4.1102 -2.7427 -2.7408 -1.0560 -1.0463 -0.7750 -0.7624 0.8204 0.8349 1.0710 1.0718 1.1563 1.1719 1.6141 1.6179 1.8981 1.8983 2.1005 2.1005 2.2247 2.2257 4.6887 4.6901 8.5678 8.5690 9.2129 9.2152 9.6031 9.6066 10.0133 10.0210 k =-0.1607 0.0589 0.0000 ( 5199 PWs) bands (ev): -22.3037 -22.3037 -22.2647 -22.2647 -16.1969 -16.1968 -16.1649 -16.1648 -13.3734 -13.3734 -12.9115 -12.9114 -7.1060 -7.0753 -6.9350 -6.9140 -6.3473 -6.3026 -6.1478 -6.1381 -6.1079 -6.0755 -5.9909 -5.9823 -4.2090 -4.2090 -4.1065 -4.1064 -2.7433 -2.7412 -1.0548 -1.0444 -0.7709 -0.7573 0.8072 0.8225 1.0684 1.0693 1.1504 1.1668 1.6049 1.6090 1.8916 1.8918 2.0972 2.0972 2.2256 2.2266 4.7109 4.7124 8.5452 8.5465 9.2223 9.2248 9.6203 9.6236 9.9988 10.0065 k =-0.1786 0.0654 0.0000 ( 5193 PWs) bands (ev): -22.3032 -22.3032 -22.2650 -22.2650 -16.1982 -16.1981 -16.1653 -16.1652 -13.3731 -13.3730 -12.9112 -12.9111 -7.1054 -7.0724 -6.9360 -6.9134 -6.3456 -6.2975 -6.1499 -6.1402 -6.1098 -6.0740 -5.9914 -5.9822 -4.2038 -4.2038 -4.1024 -4.1022 -2.7440 -2.7417 -1.0534 -1.0425 -0.7664 -0.7520 0.7933 0.8092 1.0657 1.0666 1.1432 1.1604 1.5960 1.6003 1.8847 1.8849 2.0936 2.0936 2.2265 2.2276 4.7344 4.7360 8.5233 8.5248 9.2322 9.2349 9.6257 9.6283 9.9966 10.0035 k =-0.1964 0.0720 0.0000 ( 5197 PWs) bands (ev): -22.3027 -22.3027 -22.2653 -22.2653 -16.1995 -16.1995 -16.1658 -16.1656 -13.3727 -13.3727 -12.9108 -12.9107 -7.1045 -7.0697 -6.9368 -6.9128 -6.3434 -6.2924 -6.1519 -6.1426 -6.1116 -6.0728 -5.9918 -5.9822 -4.1983 -4.1983 -4.0980 -4.0979 -2.7446 -2.7423 -1.0518 -1.0404 -0.7617 -0.7466 0.7790 0.7952 1.0627 1.0638 1.1349 1.1525 1.5876 1.5920 1.8775 1.8777 2.0897 2.0898 2.2275 2.2286 4.7589 4.7604 8.5025 8.5042 9.2428 9.2456 9.6167 9.6179 10.0099 10.0152 k =-0.2143 0.0785 0.0000 ( 5199 PWs) bands (ev): -22.3021 -22.3021 -22.2656 -22.2656 -16.2009 -16.2009 -16.1662 -16.1661 -13.3723 -13.3723 -12.9104 -12.9103 -7.1034 -7.0670 -6.9376 -6.9124 -6.3408 -6.2875 -6.1537 -6.1450 -6.1132 -6.0716 -5.9921 -5.9823 -4.1926 -4.1926 -4.0936 -4.0934 -2.7453 -2.7429 -1.0499 -1.0382 -0.7567 -0.7412 0.7644 0.7807 1.0597 1.0610 1.1254 1.1433 1.5800 1.5845 1.8699 1.8701 2.0858 2.0858 2.2285 2.2297 4.7839 4.7855 8.4831 8.4850 9.2541 9.2570 9.5939 9.5942 10.0377 10.0409 k =-0.2321 0.0851 0.0000 ( 5193 PWs) bands (ev): -22.3015 -22.3015 -22.2660 -22.2660 -16.2023 -16.2023 -16.1667 -16.1666 -13.3719 -13.3719 -12.9100 -12.9099 -7.1020 -7.0646 -6.9382 -6.9121 -6.3379 -6.2829 -6.1555 -6.1476 -6.1146 -6.0707 -5.9924 -5.9824 -4.1867 -4.1867 -4.0890 -4.0888 -2.7460 -2.7435 -1.0478 -1.0360 -0.7515 -0.7358 0.7497 0.7660 1.0566 1.0582 1.1148 1.1329 1.5733 1.5777 1.8622 1.8624 2.0816 2.0817 2.2295 2.2307 4.8092 4.8108 8.4652 8.4673 9.2661 9.2691 9.5602 9.5619 10.0764 10.0776 k =-0.2500 0.0916 0.0000 ( 5189 PWs) bands (ev): -22.3009 -22.3009 -22.2664 -22.2664 -16.2038 -16.2037 -16.1672 -16.1671 -13.3715 -13.3715 -12.9096 -12.9095 -7.1004 -7.0624 -6.9386 -6.9120 -6.3347 -6.2787 -6.1571 -6.1501 -6.1158 -6.0700 -5.9926 -5.9826 -4.1807 -4.1807 -4.0844 -4.0842 -2.7467 -2.7442 -1.0454 -1.0336 -0.7462 -0.7304 0.7351 0.7512 1.0533 1.0554 1.1033 1.1215 1.5675 1.5718 1.8545 1.8546 2.0775 2.0775 2.2305 2.2317 4.8344 4.8360 8.4490 8.4512 9.2786 9.2814 9.5210 9.5240 10.1216 10.1223 k =-0.2679 0.0981 0.0000 ( 5181 PWs) bands (ev): -22.3002 -22.3002 -22.2667 -22.2667 -16.2052 -16.2051 -16.1678 -16.1676 -13.3711 -13.3711 -12.9092 -12.9091 -7.0986 -7.0605 -6.9388 -6.9120 -6.3312 -6.2750 -6.1586 -6.1527 -6.1165 -6.0695 -5.9927 -5.9828 -4.1747 -4.1747 -4.0798 -4.0797 -2.7474 -2.7449 -1.0429 -1.0312 -0.7409 -0.7252 0.7208 0.7364 1.0499 1.0527 1.0910 1.1095 1.5626 1.5667 1.8467 1.8469 2.0733 2.0733 2.2315 2.2327 4.8592 4.8608 8.4346 8.4369 9.2909 9.2932 9.4801 9.4845 10.1699 10.1725 k =-0.2857 0.1047 0.0000 ( 5177 PWs) bands (ev): -22.2996 -22.2996 -22.2671 -22.2671 -16.2066 -16.2065 -16.1683 -16.1682 -13.3708 -13.3707 -12.9088 -12.9087 -7.0967 -7.0589 -6.9388 -6.9121 -6.3274 -6.2718 -6.1601 -6.1552 -6.1169 -6.0693 -5.9928 -5.9831 -4.1688 -4.1687 -4.0753 -4.0752 -2.7481 -2.7457 -1.0402 -1.0289 -0.7356 -0.7203 0.7068 0.7219 1.0463 1.0501 1.0784 1.0971 1.5587 1.5625 1.8391 1.8392 2.0691 2.0691 2.2325 2.2337 4.8833 4.8849 8.4220 8.4244 9.3007 9.3020 9.4417 9.4477 10.2203 10.2247 k =-0.3036 0.1112 0.0000 ( 5177 PWs) bands (ev): -22.2989 -22.2989 -22.2675 -22.2675 -16.2079 -16.2079 -16.1688 -16.1687 -13.3704 -13.3704 -12.9085 -12.9084 -7.0945 -7.0576 -6.9386 -6.9125 -6.3234 -6.2692 -6.1614 -6.1577 -6.1167 -6.0693 -5.9927 -5.9834 -4.1629 -4.1629 -4.0710 -4.0708 -2.7488 -2.7464 -1.0375 -1.0265 -0.7304 -0.7156 0.6934 0.7078 1.0423 1.0474 1.0656 1.0848 1.5555 1.5591 1.8316 1.8318 2.0650 2.0651 2.2335 2.2346 4.9065 4.9080 8.4113 8.4137 9.3022 9.3026 9.4125 9.4207 10.2707 10.2770 k =-0.3214 0.1178 0.0000 ( 5173 PWs) bands (ev): -22.2983 -22.2983 -22.2679 -22.2679 -16.2092 -16.2092 -16.1693 -16.1692 -13.3700 -13.3700 -12.9081 -12.9080 -7.0922 -7.0567 -6.9382 -6.9129 -6.3193 -6.2672 -6.1627 -6.1600 -6.1160 -6.0696 -5.9926 -5.9838 -4.1573 -4.1573 -4.0668 -4.0667 -2.7494 -2.7472 -1.0346 -1.0242 -0.7254 -0.7113 0.6806 0.6942 1.0377 1.0446 1.0532 1.0733 1.5531 1.5564 1.8245 1.8246 2.0611 2.0611 2.2344 2.2354 4.9284 4.9299 8.4024 8.4047 9.2868 9.2882 9.4019 9.4113 10.3189 10.3272 k =-0.3393 0.1243 0.0000 ( 5173 PWs) bands (ev): -22.2976 -22.2976 -22.2683 -22.2683 -16.2104 -16.2104 -16.1698 -16.1697 -13.3697 -13.3697 -12.9077 -12.9077 -7.0898 -7.0562 -6.9375 -6.9135 -6.3150 -6.2658 -6.1640 -6.1622 -6.1148 -6.0703 -5.9924 -5.9841 -4.1519 -4.1519 -4.0629 -4.0628 -2.7500 -2.7479 -1.0318 -1.0220 -0.7206 -0.7074 0.6687 0.6814 1.0321 1.0382 1.0449 1.0632 1.5513 1.5543 1.8178 1.8179 2.0573 2.0574 2.2352 2.2362 4.9489 4.9502 8.3953 8.3975 9.2583 9.2593 9.4085 9.4179 10.3623 10.3728 k =-0.3571 0.1309 0.0000 ( 5169 PWs) bands (ev): -22.2970 -22.2970 -22.2687 -22.2687 -16.2116 -16.2115 -16.1703 -16.1702 -13.3694 -13.3694 -12.9074 -12.9073 -7.0873 -7.0561 -6.9367 -6.9143 -6.3107 -6.2651 -6.1653 -6.1642 -6.1130 -6.0712 -5.9921 -5.9846 -4.1469 -4.1469 -4.0593 -4.0592 -2.7506 -2.7486 -1.0290 -1.0200 -0.7161 -0.7039 0.6578 0.6694 1.0251 1.0272 1.0420 1.0553 1.5500 1.5527 1.8115 1.8116 2.0538 2.0538 2.2360 2.2369 4.9678 4.9690 8.3898 8.3920 9.2246 9.2252 9.4237 9.4326 10.3976 10.4102 k =-0.3750 0.1374 0.0000 ( 5171 PWs) bands (ev): -22.2965 -22.2965 -22.2691 -22.2691 -16.2126 -16.2126 -16.1707 -16.1706 -13.3691 -13.3691 -12.9071 -12.9070 -7.0848 -7.0564 -6.9356 -6.9152 -6.3063 -6.2650 -6.1665 -6.1661 -6.1108 -6.0724 -5.9917 -5.9850 -4.1423 -4.1423 -4.0559 -4.0559 -2.7511 -2.7493 -1.0263 -1.0181 -0.7119 -0.7008 0.6480 0.6584 1.0164 1.0170 1.0401 1.0494 1.5491 1.5514 1.8058 1.8058 2.0506 2.0506 2.2367 2.2375 4.9848 4.9859 8.3858 8.3878 9.1907 9.1910 9.4423 9.4507 10.4216 10.4357 k =-0.3929 0.1439 0.0000 ( 5177 PWs) bands (ev): -22.2960 -22.2960 -22.2694 -22.2694 -16.2135 -16.2135 -16.1711 -16.1710 -13.3688 -13.3688 -12.9068 -12.9068 -7.0821 -7.0570 -6.9344 -6.9163 -6.3020 -6.2655 -6.1677 -6.1677 -6.1081 -6.0740 -5.9913 -5.9854 -4.1382 -4.1382 -4.0530 -4.0530 -2.7515 -2.7499 -1.0237 -1.0165 -0.7081 -0.6983 0.6394 0.6485 1.0065 1.0084 1.0385 1.0452 1.5486 1.5506 1.8006 1.8007 2.0477 2.0477 2.2374 2.2381 4.9998 5.0008 8.3831 8.3849 9.1589 9.1590 9.4620 9.4699 10.4332 10.4476 k =-0.4107 0.1505 0.0000 ( 5182 PWs) bands (ev): -22.2955 -22.2955 -22.2697 -22.2697 -16.2143 -16.2143 -16.1714 -16.1713 -13.3686 -13.3686 -12.9066 -12.9066 -7.0795 -7.0579 -6.9330 -6.9175 -6.2977 -6.2666 -6.1691 -6.1688 -6.1051 -6.0758 -5.9909 -5.9859 -4.1346 -4.1346 -4.0505 -4.0505 -2.7518 -2.7505 -1.0213 -1.0152 -0.7046 -0.6962 0.6320 0.6397 0.9978 1.0002 1.0373 1.0421 1.5482 1.5499 1.7962 1.7963 2.0452 2.0452 2.2380 2.2386 5.0128 5.0136 8.3815 8.3831 9.1304 9.1305 9.4814 9.4886 10.4343 10.4480 k =-0.4286 0.1570 0.0000 ( 5186 PWs) bands (ev): -22.2951 -22.2951 -22.2700 -22.2700 -16.2150 -16.2150 -16.1717 -16.1716 -13.3684 -13.3684 -12.9064 -12.9064 -7.0768 -7.0592 -6.9315 -6.9188 -6.2934 -6.2681 -6.1702 -6.1699 -6.1020 -6.0779 -5.9904 -5.9864 -4.1316 -4.1316 -4.0484 -4.0484 -2.7521 -2.7510 -1.0192 -1.0142 -0.7015 -0.6947 0.6261 0.6323 0.9906 0.9929 1.0363 1.0398 1.5481 1.5494 1.7925 1.7926 2.0431 2.0431 2.2385 2.2389 5.0235 5.0242 8.3807 8.3820 9.1061 9.1061 9.4995 9.5057 10.4291 10.4411 k =-0.4464 0.1636 0.0000 ( 5180 PWs) bands (ev): -22.2948 -22.2948 -22.2702 -22.2702 -16.2155 -16.2155 -16.1719 -16.1718 -13.3683 -13.3683 -12.9063 -12.9062 -7.0742 -7.0607 -6.9300 -6.9202 -6.2894 -6.2701 -6.1711 -6.1707 -6.0987 -6.0803 -5.9899 -5.9869 -4.1292 -4.1292 -4.0467 -4.0467 -2.7523 -2.7514 -1.0173 -1.0135 -0.6989 -0.6937 0.6215 0.6263 0.9849 0.9869 1.0356 1.0381 1.5481 1.5491 1.7896 1.7896 2.0415 2.0415 2.2389 2.2392 5.0320 5.0325 8.3805 8.3815 9.0865 9.0865 9.5152 9.5202 10.4215 10.4311 k =-0.4643 0.1701 0.0000 ( 5168 PWs) bands (ev): -22.2945 -22.2945 -22.2704 -22.2704 -16.2159 -16.2158 -16.1720 -16.1720 -13.3681 -13.3681 -12.9061 -12.9061 -7.0716 -7.0625 -6.9283 -6.9218 -6.2855 -6.2725 -6.1717 -6.1714 -6.0953 -6.0829 -5.9894 -5.9874 -4.1275 -4.1275 -4.0455 -4.0455 -2.7524 -2.7518 -1.0157 -1.0131 -0.6968 -0.6933 0.6185 0.6217 0.9809 0.9823 1.0352 1.0368 1.5482 1.5488 1.7875 1.7875 2.0403 2.0403 2.2392 2.2394 5.0381 5.0385 8.3806 8.3813 9.0722 9.0722 9.5275 9.5311 10.4146 10.4213 k =-0.4821 0.1767 0.0000 ( 5172 PWs) bands (ev): -22.2944 -22.2944 -22.2705 -22.2705 -16.2161 -16.2161 -16.1721 -16.1721 -13.3681 -13.3681 -12.9061 -12.9061 -7.0691 -7.0646 -6.9266 -6.9233 -6.2818 -6.2753 -6.1720 -6.1718 -6.0920 -6.0858 -5.9889 -5.9879 -4.1265 -4.1265 -4.0448 -4.0448 -2.7524 -2.7521 -1.0145 -1.0132 -0.6951 -0.6933 0.6170 0.6186 0.9786 0.9793 1.0351 1.0358 1.5483 1.5486 1.7862 1.7862 2.0395 2.0395 2.2394 2.2395 5.0419 5.0420 8.3808 8.3812 9.0635 9.0635 9.5357 9.5375 10.4104 10.4138 k =-0.5000 0.1832 0.0000 ( 5168 PWs) bands (ev): -22.2943 -22.2943 -22.2705 -22.2705 -16.2162 -16.2162 -16.1722 -16.1722 -13.3681 -13.3681 -12.9060 -12.9060 -7.0668 -7.0668 -6.9250 -6.9250 -6.2784 -6.2784 -6.1720 -6.1720 -6.0888 -6.0888 -5.9884 -5.9884 -4.1261 -4.1261 -4.0445 -4.0445 -2.7522 -2.7522 -1.0137 -1.0137 -0.6940 -0.6940 0.6170 0.6170 0.9781 0.9781 1.0353 1.0353 1.5485 1.5485 1.7858 1.7858 2.0393 2.0393 2.2395 2.2395 5.0432 5.0432 8.3810 8.3810 9.0606 9.0606 9.5391 9.5391 10.4100 10.4100 k =-0.5000 0.1832 0.0000 ( 5168 PWs) bands (ev): -22.2943 -22.2943 -22.2705 -22.2705 -16.2162 -16.2162 -16.1722 -16.1722 -13.3681 -13.3681 -12.9060 -12.9060 -7.0668 -7.0668 -6.9250 -6.9250 -6.2784 -6.2784 -6.1720 -6.1720 -6.0888 -6.0888 -5.9884 -5.9884 -4.1261 -4.1261 -4.0445 -4.0445 -2.7522 -2.7522 -1.0137 -1.0137 -0.6940 -0.6940 0.6170 0.6170 0.9781 0.9781 1.0353 1.0353 1.5485 1.5485 1.7858 1.7858 2.0393 2.0393 2.2395 2.2395 5.0432 5.0432 8.3810 8.3810 9.0606 9.0606 9.5391 9.5391 10.4100 10.4100 k =-0.4936 0.2006-0.0000 ( 5168 PWs) bands (ev): -22.2943 -22.2943 -22.2705 -22.2705 -16.2159 -16.2159 -16.1719 -16.1719 -13.3686 -13.3686 -12.9065 -12.9064 -7.0668 -7.0667 -6.9261 -6.9243 -6.2785 -6.2781 -6.1731 -6.1711 -6.0901 -6.0878 -5.9899 -5.9877 -4.1272 -4.1261 -4.0449 -4.0447 -2.7516 -2.7511 -1.0150 -1.0145 -0.6954 -0.6946 0.6172 0.6185 0.9784 0.9796 1.0354 1.0358 1.5480 1.5490 1.7864 1.7867 2.0398 2.0402 2.2392 2.2395 5.0435 5.0436 8.3818 8.3820 9.0626 9.0626 9.5384 9.5386 10.4076 10.4076 k =-0.4873 0.2180-0.0000 ( 5176 PWs) bands (ev): -22.2942 -22.2942 -22.2704 -22.2704 -16.2150 -16.2150 -16.1712 -16.1712 -13.3701 -13.3701 -12.9077 -12.9076 -7.0668 -7.0665 -6.9275 -6.9240 -6.2785 -6.2776 -6.1743 -6.1703 -6.0916 -6.0869 -5.9920 -5.9876 -4.1294 -4.1273 -4.0458 -4.0454 -2.7491 -2.7480 -1.0186 -1.0176 -0.6990 -0.6972 0.6190 0.6216 0.9805 0.9828 1.0361 1.0369 1.5477 1.5496 1.7886 1.7892 2.0416 2.0424 2.2387 2.2394 5.0447 5.0449 8.3843 8.3846 9.0686 9.0687 9.5364 9.5367 10.4003 10.4004 k =-0.4809 0.2353-0.0000 ( 5176 PWs) bands (ev): -22.2939 -22.2939 -22.2703 -22.2703 -16.2135 -16.2135 -16.1701 -16.1700 -13.3727 -13.3727 -12.9097 -12.9096 -7.0667 -7.0662 -6.9292 -6.9240 -6.2783 -6.2769 -6.1756 -6.1696 -6.0933 -6.0863 -5.9948 -5.9884 -4.1327 -4.1296 -4.0473 -4.0467 -2.7448 -2.7432 -1.0243 -1.0229 -0.7045 -0.7019 0.6224 0.6262 0.9843 0.9877 1.0373 1.0385 1.5475 1.5503 1.7923 1.7931 2.0448 2.0459 2.2380 2.2390 5.0467 5.0470 8.3885 8.3889 9.0787 9.0788 9.5331 9.5336 10.3883 10.3885 k =-0.4745 0.2527-0.0000 ( 5166 PWs) bands (ev): -22.2936 -22.2936 -22.2701 -22.2701 -16.2115 -16.2115 -16.1684 -16.1684 -13.3763 -13.3763 -12.9126 -12.9124 -7.0665 -7.0659 -6.9313 -6.9245 -6.2779 -6.2761 -6.1771 -6.1690 -6.0952 -6.0858 -5.9983 -5.9899 -4.1369 -4.1329 -4.0492 -4.0484 -2.7387 -2.7365 -1.0321 -1.0302 -0.7121 -0.7086 0.6274 0.6324 0.9897 0.9943 1.0392 1.0408 1.5474 1.5512 1.7974 1.7986 2.0491 2.0506 2.2370 2.2383 5.0496 5.0499 8.3943 8.3949 9.0926 9.0928 9.5286 9.5293 10.3717 10.3721 k =-0.4682 0.2701-0.0000 ( 5166 PWs) bands (ev): -22.2932 -22.2932 -22.2699 -22.2699 -16.2089 -16.2089 -16.1663 -16.1663 -13.3808 -13.3808 -12.9161 -12.9160 -7.0663 -7.0655 -6.9337 -6.9254 -6.2774 -6.2751 -6.1787 -6.1685 -6.0974 -6.0856 -6.0024 -5.9921 -4.1421 -4.1372 -4.0515 -4.0506 -2.7308 -2.7281 -1.0418 -1.0395 -0.7216 -0.7173 0.6338 0.6401 0.9967 1.0025 1.0417 1.0436 1.5477 1.5524 1.8038 1.8053 2.0546 2.0564 2.2358 2.2374 5.0532 5.0537 8.4017 8.4025 9.1101 9.1105 9.5228 9.5237 10.3510 10.3515 k =-0.4618 0.2874-0.0000 ( 5162 PWs) bands (ev): -22.2927 -22.2927 -22.2696 -22.2696 -16.2058 -16.2058 -16.1638 -16.1638 -13.3863 -13.3863 -12.9205 -12.9203 -7.0659 -7.0650 -6.9364 -6.9268 -6.2767 -6.2740 -6.1805 -6.1681 -6.0997 -6.0856 -6.0071 -5.9952 -4.1481 -4.1425 -4.0542 -4.0531 -2.7212 -2.7179 -1.0535 -1.0507 -0.7329 -0.7279 0.6417 0.6492 1.0050 1.0120 1.0448 1.0470 1.5483 1.5541 1.8115 1.8133 2.0611 2.0632 2.2342 2.2362 5.0578 5.0583 8.4107 8.4116 9.1313 9.1317 9.5159 9.5169 10.3263 10.3272 k =-0.4554 0.3048-0.0000 ( 5166 PWs) bands (ev): -22.2921 -22.2921 -22.2693 -22.2693 -16.2021 -16.2021 -16.1608 -16.1608 -13.3928 -13.3928 -12.9256 -12.9253 -7.0656 -7.0646 -6.9394 -6.9285 -6.2758 -6.2727 -6.1825 -6.1679 -6.1023 -6.0858 -6.0124 -5.9990 -4.1548 -4.1486 -4.0572 -4.0560 -2.7100 -2.7061 -1.0668 -1.0637 -0.7461 -0.7403 0.6509 0.6596 1.0146 1.0226 1.0485 1.0509 1.5494 1.5562 1.8203 1.8223 2.0684 2.0708 2.2324 2.2346 5.0631 5.0637 8.4211 8.4222 9.1556 9.1562 9.5078 9.5090 10.2981 10.2995 k =-0.4491 0.3222-0.0000 ( 5172 PWs) bands (ev): -22.2914 -22.2914 -22.2690 -22.2690 -16.1979 -16.1979 -16.1575 -16.1575 -13.4001 -13.4001 -12.9313 -12.9310 -7.0652 -7.0641 -6.9427 -6.9308 -6.2747 -6.2714 -6.1847 -6.1678 -6.1051 -6.0862 -6.0183 -6.0036 -4.1621 -4.1554 -4.0604 -4.0591 -2.6971 -2.6926 -1.0818 -1.0782 -0.7611 -0.7545 0.6614 0.6713 1.0252 1.0341 1.0529 1.0554 1.5511 1.5590 1.8300 1.8323 2.0764 2.0791 2.2302 2.2327 5.0692 5.0699 8.4328 8.4342 9.1829 9.1837 9.4988 9.5002 10.2670 10.2689 k =-0.4427 0.3396-0.0000 ( 5176 PWs) bands (ev): -22.2906 -22.2906 -22.2686 -22.2686 -16.1933 -16.1932 -16.1537 -16.1537 -13.4082 -13.4082 -12.9377 -12.9374 -7.0647 -7.0635 -6.9462 -6.9335 -6.2735 -6.2699 -6.1871 -6.1678 -6.1081 -6.0868 -6.0247 -6.0090 -4.1699 -4.1629 -4.0637 -4.0622 -2.6826 -2.6776 -1.0981 -1.0941 -0.7777 -0.7704 0.6731 0.6840 1.0366 1.0459 1.0584 1.0604 1.5537 1.5625 1.8405 1.8431 2.0850 2.0878 2.2276 2.2304 5.0762 5.0770 8.4458 8.4474 9.2126 9.2138 9.4888 9.4904 10.2334 10.2360 k =-0.4363 0.3569-0.0000 ( 5182 PWs) bands (ev): -22.2898 -22.2898 -22.2682 -22.2682 -16.1881 -16.1881 -16.1496 -16.1496 -13.4171 -13.4171 -12.9448 -12.9444 -7.0642 -7.0630 -6.9500 -6.9367 -6.2722 -6.2684 -6.1898 -6.1681 -6.1113 -6.0877 -6.0317 -6.0151 -4.1781 -4.1709 -4.0671 -4.0654 -2.6666 -2.6611 -1.1156 -1.1112 -0.7958 -0.7878 0.6858 0.6978 1.0484 1.0562 1.0661 1.0664 1.5572 1.5671 1.8516 1.8545 2.0939 2.0969 2.2245 2.2276 5.0840 5.0848 8.4599 8.4617 9.2445 9.2460 9.4782 9.4799 10.1981 10.2014 k =-0.4300 0.3743-0.0000 ( 5170 PWs) bands (ev): -22.2889 -22.2889 -22.2678 -22.2678 -16.1825 -16.1825 -16.1451 -16.1451 -13.4268 -13.4268 -12.9524 -12.9520 -7.0637 -7.0625 -6.9540 -6.9403 -6.2707 -6.2667 -6.1926 -6.1684 -6.1147 -6.0889 -6.0391 -6.0219 -4.1865 -4.1793 -4.0703 -4.0685 -2.6492 -2.6431 -1.1341 -1.1294 -0.8153 -0.8067 0.6994 0.7124 1.0601 1.0638 1.0725 1.0778 1.5618 1.5727 1.8632 1.8663 2.1029 2.1062 2.2211 2.2244 5.0926 5.0935 8.4749 8.4770 9.2778 9.2798 9.4672 9.4690 10.1614 10.1658 k =-0.4236 0.3917-0.0000 ( 5166 PWs) bands (ev): -22.2879 -22.2879 -22.2673 -22.2673 -16.1765 -16.1764 -16.1403 -16.1403 -13.4371 -13.4371 -12.9605 -12.9601 -7.0632 -7.0620 -6.9583 -6.9444 -6.2691 -6.2651 -6.1957 -6.1690 -6.1184 -6.0903 -6.0470 -6.0294 -4.1951 -4.1879 -4.0733 -4.0714 -2.6303 -2.6238 -1.1535 -1.1484 -0.8361 -0.8269 0.7139 0.7278 1.0704 1.0709 1.0802 1.0906 1.5678 1.5796 1.8751 1.8784 2.1120 2.1155 2.2171 2.2207 5.1020 5.1030 8.4907 8.4931 9.3118 9.3145 9.4559 9.4579 10.1243 10.1297 k =-0.4172 0.4091-0.0000 ( 5174 PWs) bands (ev): -22.2868 -22.2868 -22.2668 -22.2668 -16.1701 -16.1700 -16.1352 -16.1351 -13.4480 -13.4480 -12.9691 -12.9687 -7.0627 -7.0615 -6.9628 -6.9489 -6.2674 -6.2634 -6.1990 -6.1698 -6.1222 -6.0921 -6.0553 -6.0375 -4.2037 -4.1968 -4.0759 -4.0741 -2.6101 -2.6031 -1.1735 -1.1680 -0.8582 -0.8483 0.7290 0.7438 1.0768 1.0798 1.0899 1.1036 1.5752 1.5879 1.8872 1.8907 2.1210 2.1246 2.2125 2.2164 5.1122 5.1132 8.5071 8.5098 9.3457 9.3493 9.4449 9.4468 10.0873 10.0940 k =-0.4109 0.4264-0.0000 ( 5176 PWs) bands (ev): -22.2857 -22.2857 -22.2664 -22.2664 -16.1633 -16.1633 -16.1298 -16.1298 -13.4595 -13.4595 -12.9782 -12.9778 -7.0622 -7.0611 -6.9675 -6.9540 -6.2656 -6.2617 -6.2025 -6.1708 -6.1263 -6.0943 -6.0640 -6.0460 -4.2123 -4.2057 -4.0782 -4.0763 -2.5886 -2.5812 -1.1939 -1.1880 -0.8812 -0.8708 0.7448 0.7604 1.0833 1.0874 1.1006 1.1162 1.5842 1.5976 1.8992 1.9029 2.1296 2.1333 2.2074 2.2115 5.1231 5.1241 8.5237 8.5268 9.3783 9.3833 9.4346 9.4362 10.0512 10.0593 k =-0.4045 0.4438-0.0000 ( 5168 PWs) bands (ev): -22.2846 -22.2846 -22.2658 -22.2658 -16.1562 -16.1562 -16.1242 -16.1241 -13.4714 -13.4714 -12.9876 -12.9872 -7.0617 -7.0607 -6.9725 -6.9594 -6.2637 -6.2601 -6.2063 -6.1720 -6.1306 -6.0970 -6.0731 -6.0550 -4.2207 -4.2145 -4.0799 -4.0780 -2.5659 -2.5582 -1.2145 -1.2083 -0.9052 -0.8943 0.7610 0.7773 1.0899 1.0947 1.1113 1.1281 1.5948 1.6088 1.9110 1.9149 2.1379 2.1416 2.2018 2.2060 5.1347 5.1357 8.5405 8.5439 9.4064 9.4155 9.4265 9.4278 10.0168 10.0266 k =-0.3981 0.4612-0.0000 ( 5168 PWs) bands (ev): -22.2834 -22.2834 -22.2653 -22.2653 -16.1489 -16.1489 -16.1183 -16.1183 -13.4836 -13.4836 -12.9973 -12.9969 -7.0612 -7.0605 -6.9776 -6.9653 -6.2617 -6.2585 -6.2103 -6.1734 -6.1351 -6.1002 -6.0824 -6.0640 -4.2289 -4.2233 -4.0810 -4.0791 -2.5421 -2.5341 -1.2352 -1.2287 -0.9299 -0.9185 0.7775 0.7945 1.0967 1.1018 1.1213 1.1390 1.6071 1.6216 1.9225 1.9266 2.1455 2.1492 2.1955 2.1998 5.1470 5.1480 8.5570 8.5607 9.4121 9.4182 9.4415 9.4446 9.9850 9.9966 k =-0.3918 0.4785-0.0000 ( 5168 PWs) bands (ev): -22.2822 -22.2822 -22.2648 -22.2648 -16.1413 -16.1413 -16.1123 -16.1123 -13.4962 -13.4962 -13.0073 -13.0068 -7.0608 -7.0603 -6.9830 -6.9716 -6.2597 -6.2571 -6.2145 -6.1751 -6.1398 -6.1041 -6.0919 -6.0731 -4.2368 -4.2318 -4.0814 -4.0795 -2.5172 -2.5090 -1.2558 -1.2490 -0.9552 -0.9434 0.7944 0.8119 1.1035 1.1088 1.1304 1.1487 1.6211 1.6359 1.9336 1.9378 2.1525 2.1560 2.1888 2.1930 5.1598 5.1608 8.5729 8.5770 9.4069 9.4117 9.4633 9.4692 9.9569 9.9703 k =-0.3854 0.4959-0.0000 ( 5176 PWs) bands (ev): -22.2809 -22.2809 -22.2643 -22.2643 -16.1336 -16.1335 -16.1062 -16.1061 -13.5090 -13.5090 -13.0174 -13.0170 -7.0604 -7.0602 -6.9885 -6.9783 -6.2577 -6.2558 -6.2189 -6.1770 -6.1448 -6.1091 -6.1015 -6.0817 -4.2444 -4.2401 -4.0810 -4.0792 -2.4912 -2.4829 -1.2760 -1.2689 -0.9811 -0.9688 0.8114 0.8294 1.1103 1.1158 1.1385 1.1572 1.6366 1.6515 1.9441 1.9485 2.1586 2.1614 2.1820 2.1855 5.1731 5.1742 8.5880 8.5924 9.4031 9.4077 9.4805 9.4880 9.9332 9.9483 k =-0.3791 0.5133-0.0000 ( 5168 PWs) bands (ev): -22.2796 -22.2796 -22.2638 -22.2638 -16.1257 -16.1256 -16.0999 -16.0999 -13.5220 -13.5220 -13.0277 -13.0273 -7.0602 -7.0601 -6.9942 -6.9853 -6.2557 -6.2547 -6.2234 -6.1792 -6.1500 -6.1152 -6.1111 -6.0896 -4.2516 -4.2480 -4.0798 -4.0780 -2.4644 -2.4560 -1.2958 -1.2884 -1.0073 -0.9946 0.8284 0.8469 1.1171 1.1226 1.1455 1.1643 1.6535 1.6683 1.9539 1.9584 2.1638 2.1639 2.1766 2.1776 5.1869 5.1880 8.6019 8.6066 9.4021 9.4067 9.4913 9.4999 9.9147 9.9313 k =-0.3727 0.5307-0.0000 ( 5168 PWs) bands (ev): -22.2783 -22.2783 -22.2633 -22.2633 -16.1177 -16.1176 -16.0936 -16.0936 -13.5350 -13.5349 -13.0380 -13.0376 -7.0603 -7.0598 -7.0002 -6.9927 -6.2540 -6.2537 -6.2281 -6.1817 -6.1555 -6.1225 -6.1206 -6.0965 -4.2583 -4.2554 -4.0777 -4.0760 -2.4367 -2.4283 -1.3150 -1.3073 -1.0338 -1.0207 0.8455 0.8643 1.1236 1.1292 1.1514 1.1703 1.6716 1.6861 1.9629 1.9674 2.1596 2.1657 2.1712 2.1765 5.2011 5.2022 8.6144 8.6192 9.4046 9.4091 9.4953 9.5045 9.9015 9.9191 k =-0.3663 0.5480-0.0000 ( 5184 PWs) bands (ev): -22.2769 -22.2769 -22.2629 -22.2629 -16.1097 -16.1096 -16.0873 -16.0872 -13.5479 -13.5479 -13.0483 -13.0479 -7.0605 -7.0596 -7.0062 -7.0004 -6.2538 -6.2519 -6.2330 -6.1845 -6.1614 -6.1307 -6.1297 -6.1027 -4.2646 -4.2625 -4.0747 -4.0732 -2.4082 -2.3999 -1.3335 -1.3255 -1.0603 -1.0469 0.8625 0.8815 1.1300 1.1355 1.1562 1.1750 1.6905 1.7047 1.9710 1.9755 2.1513 2.1581 2.1728 2.1787 5.2155 5.2166 8.6251 8.6301 9.4109 9.4155 9.4927 9.5020 9.8930 9.9110 k =-0.3600 0.5654-0.0000 ( 5170 PWs) bands (ev): -22.2756 -22.2756 -22.2625 -22.2625 -16.1016 -16.1016 -16.0810 -16.0809 -13.5607 -13.5607 -13.0585 -13.0581 -7.0609 -7.0595 -7.0124 -7.0083 -6.2541 -6.2504 -6.2379 -6.1876 -6.1675 -6.1393 -6.1383 -6.1084 -4.2704 -4.2690 -4.0708 -4.0694 -2.3791 -2.3709 -1.3510 -1.3427 -1.0868 -1.0730 0.8793 0.8985 1.1360 1.1415 1.1601 1.1786 1.7101 1.7237 1.9782 1.9826 2.1418 2.1482 2.1751 2.1808 5.2301 5.2312 8.6339 8.6391 9.4214 9.4262 9.4848 9.4934 9.8882 9.9060 k =-0.3536 0.5828-0.0000 ( 5178 PWs) bands (ev): -22.2742 -22.2742 -22.2621 -22.2621 -16.0937 -16.0936 -16.0747 -16.0747 -13.5734 -13.5734 -13.0686 -13.0682 -7.0614 -7.0595 -7.0188 -7.0165 -6.2551 -6.2493 -6.2429 -6.1911 -6.1739 -6.1477 -6.1461 -6.1138 -4.2756 -4.2750 -4.0660 -4.0647 -2.3494 -2.3415 -1.3675 -1.3590 -1.1131 -1.0991 0.8960 0.9151 1.1417 1.1470 1.1631 1.1813 1.7299 1.7429 1.9842 1.9884 2.1316 2.1377 2.1764 2.1821 5.2448 5.2458 8.6408 8.6460 9.4359 9.4414 9.4733 9.4803 9.8854 9.9026 k =-0.3472 0.6002-0.0000 ( 5180 PWs) bands (ev): -22.2729 -22.2729 -22.2617 -22.2617 -16.0858 -16.0858 -16.0686 -16.0685 -13.5857 -13.5857 -13.0784 -13.0781 -7.0620 -7.0595 -7.0252 -7.0248 -6.2570 -6.2487 -6.2480 -6.1952 -6.1801 -6.1556 -6.1531 -6.1193 -4.2804 -4.2804 -4.0603 -4.0591 -2.3193 -2.3117 -1.3830 -1.3741 -1.1392 -1.1248 0.9123 0.9314 1.1470 1.1521 1.1653 1.1831 1.7497 1.7621 1.9891 1.9929 2.1210 2.1268 2.1769 2.1824 5.2594 5.2604 8.6458 8.6509 9.4476 9.4593 9.4661 9.4666 9.8832 9.8996 k =-0.3409 0.6175-0.0000 ( 5168 PWs) bands (ev): -22.2715 -22.2715 -22.2614 -22.2614 -16.0781 -16.0781 -16.0625 -16.0625 -13.5976 -13.5976 -13.0880 -13.0877 -7.0628 -7.0597 -7.0331 -7.0317 -6.2600 -6.2532 -6.2490 -6.2002 -6.1856 -6.1625 -6.1593 -6.1248 -4.2852 -4.2845 -4.0537 -4.0527 -2.2888 -2.2816 -1.3971 -1.3880 -1.1647 -1.1501 0.9282 0.9472 1.1517 1.1566 1.1669 1.1842 1.7692 1.7808 1.9926 1.9959 2.1104 2.1155 2.1764 2.1818 5.2740 5.2748 8.6491 8.6541 9.4364 9.4453 9.4859 9.4868 9.8806 9.8960 k =-0.3345 0.6349-0.0000 ( 5166 PWs) bands (ev): -22.2702 -22.2702 -22.2611 -22.2611 -16.0707 -16.0706 -16.0567 -16.0566 -13.6091 -13.6091 -13.0972 -13.0969 -7.0639 -7.0600 -7.0415 -7.0381 -6.2642 -6.2584 -6.2504 -6.2065 -6.1896 -6.1683 -6.1646 -6.1303 -4.2895 -4.2882 -4.0464 -4.0455 -2.2583 -2.2515 -1.4100 -1.4006 -1.1897 -1.1748 0.9438 0.9625 1.1560 1.1604 1.1680 1.1847 1.7881 1.7989 1.9947 1.9971 2.1001 2.1043 2.1749 2.1803 5.2882 5.2890 8.6509 8.6557 9.4194 9.4266 9.5149 9.5161 9.8767 9.8911 k =-0.3281 0.6523-0.0000 ( 5158 PWs) bands (ev): -22.2689 -22.2689 -22.2609 -22.2609 -16.0635 -16.0634 -16.0511 -16.0510 -13.6200 -13.6200 -13.1060 -13.1057 -7.0653 -7.0606 -7.0496 -7.0444 -6.2695 -6.2636 -6.2531 -6.2136 -6.1920 -6.1727 -6.1692 -6.1360 -4.2931 -4.2913 -4.0382 -4.0375 -2.2277 -2.2214 -1.4215 -1.4118 -1.2140 -1.1988 0.9588 0.9772 1.1596 1.1634 1.1688 1.1847 1.8062 1.8162 1.9952 1.9962 2.0903 2.0932 2.1725 2.1778 5.3020 5.3028 8.6514 8.6560 9.4019 9.4079 9.5491 9.5500 9.8711 9.8845 k =-0.3218 0.6696-0.0000 ( 5160 PWs) bands (ev): -22.2676 -22.2676 -22.2607 -22.2607 -16.0566 -16.0565 -16.0457 -16.0457 -13.6304 -13.6303 -13.1144 -13.1141 -7.0677 -7.0618 -7.0567 -7.0502 -6.2761 -6.2687 -6.2574 -6.2211 -6.1931 -6.1758 -6.1733 -6.1419 -4.2960 -4.2938 -4.0295 -4.0288 -2.1974 -2.1916 -1.4315 -1.4215 -1.2373 -1.2218 0.9733 0.9912 1.1627 1.1654 1.1695 1.1844 1.8231 1.8322 1.9932 1.9938 2.0814 2.0827 2.1694 2.1746 5.3153 5.3160 8.6511 8.6554 9.3849 9.3898 9.5878 9.5882 9.8636 9.8759 k =-0.3154 0.6870-0.0000 ( 5180 PWs) bands (ev): -22.2664 -22.2664 -22.2606 -22.2606 -16.0501 -16.0501 -16.0407 -16.0406 -13.6400 -13.6400 -13.1222 -13.1220 -7.0724 -7.0643 -7.0616 -7.0545 -6.2835 -6.2737 -6.2630 -6.2285 -6.1930 -6.1777 -6.1769 -6.1478 -4.2984 -4.2959 -4.0201 -4.0196 -2.1676 -2.1623 -1.4401 -1.4298 -1.2595 -1.2438 0.9871 1.0044 1.1651 1.1663 1.1705 1.1837 1.8387 1.8469 1.9877 1.9903 2.0729 2.0736 2.1655 2.1706 5.3280 5.3286 8.6503 8.6543 9.3688 9.3728 9.6304 9.6305 9.8541 9.8654 k =-0.3090 0.7044-0.0000 ( 5188 PWs) bands (ev): -22.2652 -22.2652 -22.2606 -22.2606 -16.0441 -16.0440 -16.0360 -16.0359 -13.6488 -13.6488 -13.1294 -13.1292 -7.0794 -7.0689 -7.0641 -7.0568 -6.2917 -6.2785 -6.2698 -6.2359 -6.1921 -6.1801 -6.1786 -6.1537 -4.3002 -4.2974 -4.0103 -4.0099 -2.1384 -2.1338 -1.4471 -1.4364 -1.2804 -1.2645 1.0001 1.0168 1.1663 1.1671 1.1714 1.1829 1.8528 1.8601 1.9799 1.9846 2.0644 2.0672 2.1610 2.1659 5.3400 5.3405 8.6493 8.6529 9.3540 9.3573 9.6763 9.6771 9.8427 9.8530 k =-0.3027 0.7218-0.0000 ( 5188 PWs) bands (ev): -22.2640 -22.2640 -22.2606 -22.2606 -16.0385 -16.0384 -16.0316 -16.0316 -13.6569 -13.6568 -13.1360 -13.1358 -7.0871 -7.0747 -7.0657 -7.0579 -6.3002 -6.2832 -6.2773 -6.2431 -6.1904 -6.1829 -6.1788 -6.1596 -4.3013 -4.2984 -4.0000 -3.9997 -2.1102 -2.1062 -1.4525 -1.4415 -1.2997 -1.2836 1.0123 1.0281 1.1660 1.1685 1.1720 1.1819 1.8651 1.8715 1.9699 1.9766 2.0571 2.0618 2.1561 2.1608 5.3511 5.3515 8.6484 8.6517 9.3409 9.3434 9.7254 9.7270 9.8295 9.8388 k =-0.2963 0.7391-0.0000 ( 5190 PWs) bands (ev): -22.2629 -22.2629 -22.2607 -22.2607 -16.0334 -16.0333 -16.0277 -16.0276 -13.6640 -13.6640 -13.1419 -13.1418 -7.0950 -7.0808 -7.0669 -7.0584 -6.3089 -6.2878 -6.2854 -6.2501 -6.1883 -6.1852 -6.1785 -6.1654 -4.3018 -4.2988 -3.9895 -3.9893 -2.0834 -2.0801 -1.4563 -1.4449 -1.3172 -1.3008 1.0234 1.0382 1.1653 1.1696 1.1722 1.1808 1.8755 1.8810 1.9583 1.9666 2.0511 2.0573 2.1508 2.1553 5.3612 5.3615 8.6479 8.6508 9.3295 9.3314 9.7767 9.7799 9.8156 9.8231 k =-0.2899 0.7565-0.0000 ( 5178 PWs) bands (ev): -22.2618 -22.2618 -22.2609 -22.2609 -16.0289 -16.0288 -16.0242 -16.0241 -13.6702 -13.6702 -13.1471 -13.1470 -7.1028 -7.0870 -7.0679 -7.0587 -6.3175 -6.2936 -6.2922 -6.2572 -6.1879 -6.1852 -6.1780 -6.1707 -4.3018 -4.2988 -3.9789 -3.9788 -2.0584 -2.0556 -1.4586 -1.4467 -1.3324 -1.3159 1.0333 1.0469 1.1646 1.1705 1.1722 1.1797 1.8840 1.8885 1.9455 1.9549 2.0460 2.0535 2.1454 2.1495 5.3703 5.3705 8.6480 8.6506 9.3200 9.3214 9.7949 9.8046 9.8361 9.8368 k =-0.2836 0.7739-0.0000 ( 5164 PWs) bands (ev): -22.2612 -22.2612 -22.2608 -22.2608 -16.0249 -16.0248 -16.0211 -16.0211 -13.6754 -13.6754 -13.1516 -13.1515 -7.1104 -7.0931 -7.0688 -7.0588 -6.3260 -6.3019 -6.2965 -6.2641 -6.1896 -6.1824 -6.1795 -6.1736 -4.3011 -4.2983 -3.9682 -3.9681 -2.0355 -2.0334 -1.4592 -1.4469 -1.3450 -1.3284 1.0418 1.0540 1.1638 1.1712 1.1720 1.1787 1.8903 1.8938 1.9318 1.9421 2.0417 2.0501 2.1398 2.1435 5.3783 5.3783 8.6490 8.6512 9.3125 9.3135 9.7778 9.7860 9.8928 9.8946 k =-0.2836 0.7739-0.0000 ( 5164 PWs) bands (ev): -22.2612 -22.2612 -22.2608 -22.2608 -16.0249 -16.0248 -16.0211 -16.0211 -13.6754 -13.6754 -13.1516 -13.1515 -7.1104 -7.0931 -7.0688 -7.0588 -6.3260 -6.3019 -6.2965 -6.2641 -6.1896 -6.1824 -6.1795 -6.1736 -4.3011 -4.2983 -3.9682 -3.9681 -2.0355 -2.0334 -1.4592 -1.4469 -1.3450 -1.3284 1.0418 1.0540 1.1638 1.1712 1.1720 1.1787 1.8903 1.8938 1.9318 1.9421 2.0417 2.0501 2.1398 2.1435 5.3783 5.3783 8.6490 8.6512 9.3125 9.3135 9.7778 9.7860 9.8928 9.8946 k =-0.2836 0.7739 0.0189 ( 5164 PWs) bands (ev): -22.2611 -22.2611 -22.2608 -22.2608 -16.0250 -16.0249 -16.0212 -16.0211 -13.6750 -13.6750 -13.1521 -13.1520 -7.1102 -7.0930 -7.0687 -7.0587 -6.3259 -6.3019 -6.2962 -6.2638 -6.1900 -6.1818 -6.1801 -6.1728 -4.3006 -4.2978 -3.9684 -3.9683 -2.0340 -2.0318 -1.4594 -1.4470 -1.3453 -1.3286 1.0364 1.0482 1.1626 1.1700 1.1706 1.1777 1.8906 1.8941 1.9324 1.9425 2.0424 2.0507 2.1397 2.1434 5.3836 5.3837 8.6490 8.6512 9.3141 9.3151 9.7800 9.7883 9.8904 9.8922 k =-0.2836 0.7739 0.0379 ( 5172 PWs) bands (ev): -22.2611 -22.2611 -22.2608 -22.2608 -16.0251 -16.0250 -16.0213 -16.0212 -13.6737 -13.6737 -13.1537 -13.1536 -7.1098 -7.0926 -7.0684 -7.0585 -6.3256 -6.3020 -6.2953 -6.2629 -6.1908 -6.1813 -6.1802 -6.1710 -4.2990 -4.2962 -3.9690 -3.9689 -2.0293 -2.0272 -1.4598 -1.4475 -1.3460 -1.3295 1.0200 1.0308 1.1592 1.1664 1.1664 1.1745 1.8913 1.8948 1.9340 1.9438 2.0444 2.0525 2.1393 2.1431 5.3996 5.3996 8.6488 8.6510 9.3188 9.3197 9.7867 9.7949 9.8836 9.8854 k =-0.2836 0.7739 0.0568 ( 5176 PWs) bands (ev): -22.2611 -22.2611 -22.2608 -22.2608 -16.0253 -16.0252 -16.0216 -16.0215 -13.6716 -13.6715 -13.1564 -13.1563 -7.1091 -7.0920 -7.0679 -7.0582 -6.3252 -6.3022 -6.2937 -6.2615 -6.1916 -6.1825 -6.1780 -6.1687 -4.2963 -4.2935 -3.9700 -3.9700 -2.0216 -2.0194 -1.4606 -1.4484 -1.3473 -1.3308 0.9929 1.0025 1.1536 1.1600 1.1605 1.1693 1.8925 1.8961 1.9366 1.9459 2.0476 2.0552 2.1388 2.1426 5.4260 5.4260 8.6483 8.6505 9.3266 9.3274 9.7977 9.8060 9.8737 9.8753 k =-0.2836 0.7739 0.0758 ( 5169 PWs) bands (ev): -22.2611 -22.2611 -22.2608 -22.2608 -16.0255 -16.0254 -16.0219 -16.0218 -13.6685 -13.6685 -13.1601 -13.1600 -7.1081 -7.0912 -7.0673 -7.0577 -6.3246 -6.3023 -6.2917 -6.2596 -6.1923 -6.1837 -6.1754 -6.1661 -4.2926 -4.2899 -3.9714 -3.9714 -2.0107 -2.0085 -1.4615 -1.4495 -1.3490 -1.3326 0.9557 0.9640 1.1457 1.1518 1.1525 1.1620 1.8943 1.8978 1.9400 1.9487 2.0515 2.0587 2.1380 2.1419 5.4624 5.4624 8.6473 8.6495 9.3375 9.3381 9.8129 9.8213 9.8621 9.8634 k =-0.2836 0.7739 0.0947 ( 5165 PWs) bands (ev): -22.2610 -22.2610 -22.2607 -22.2607 -16.0258 -16.0258 -16.0222 -16.0222 -13.6647 -13.6647 -13.1648 -13.1647 -7.1068 -7.0902 -7.0665 -7.0572 -6.3238 -6.3024 -6.2892 -6.2574 -6.1927 -6.1845 -6.1725 -6.1633 -4.2879 -4.2852 -3.9732 -3.9732 -1.9967 -1.9945 -1.4628 -1.4509 -1.3511 -1.3348 0.9090 0.9161 1.1358 1.1419 1.1425 1.1529 1.8965 1.9000 1.9441 1.9522 2.0559 2.0626 2.1370 2.1409 5.5083 5.5083 8.6453 8.6474 9.3513 9.3517 9.8308 9.8400 9.8512 9.8516 k =-0.2836 0.7739 0.1136 ( 5171 PWs) bands (ev): -22.2610 -22.2610 -22.2607 -22.2607 -16.0262 -16.0261 -16.0227 -16.0226 -13.6600 -13.6600 -13.1705 -13.1704 -7.1053 -7.0889 -7.0655 -7.0566 -6.3228 -6.3024 -6.2863 -6.2550 -6.1927 -6.1851 -6.1694 -6.1603 -4.2823 -4.2796 -3.9754 -3.9754 -1.9796 -1.9774 -1.4643 -1.4526 -1.3535 -1.3374 0.8537 0.8598 1.1239 1.1307 1.1307 1.1420 1.8991 1.9026 1.9488 1.9563 2.0603 2.0666 2.1358 2.1398 5.5631 5.5632 8.6418 8.6439 9.3680 9.3681 9.8336 9.8375 9.8596 9.8652 k =-0.2836 0.7739 0.1326 ( 5163 PWs) bands (ev): -22.2609 -22.2609 -22.2606 -22.2606 -16.0267 -16.0266 -16.0232 -16.0231 -13.6545 -13.6545 -13.1772 -13.1771 -7.1036 -7.0875 -7.0644 -7.0558 -6.3216 -6.3024 -6.2833 -6.2526 -6.1922 -6.1853 -6.1660 -6.1572 -4.2758 -4.2732 -3.9780 -3.9780 -1.9594 -1.9571 -1.4660 -1.4546 -1.3563 -1.3404 0.7909 0.7962 1.1105 1.1174 1.1182 1.1295 1.9022 1.9057 1.9539 1.9608 2.0646 2.0703 2.1344 2.1384 5.6262 5.6263 8.6363 8.6384 9.3873 9.3873 9.8233 9.8264 9.8859 9.8924 k =-0.2836 0.7739 0.1515 ( 5163 PWs) bands (ev): -22.2608 -22.2608 -22.2606 -22.2606 -16.0271 -16.0271 -16.0238 -16.0237 -13.6482 -13.6482 -13.1848 -13.1847 -7.1016 -7.0859 -7.0632 -7.0551 -6.3201 -6.3023 -6.2802 -6.2503 -6.1911 -6.1851 -6.1624 -6.1539 -4.2685 -4.2660 -3.9809 -3.9809 -1.9362 -1.9338 -1.4679 -1.4568 -1.3592 -1.3436 0.7216 0.7263 1.0958 1.1027 1.1045 1.1157 1.9057 1.9092 1.9593 1.9656 2.0683 2.0737 2.1328 2.1368 5.6968 5.6969 8.6280 8.6301 9.4089 9.4092 9.8137 9.8167 9.9167 9.9233 k =-0.2836 0.7739 0.1704 ( 5159 PWs) bands (ev): -22.2608 -22.2608 -22.2605 -22.2605 -16.0277 -16.0276 -16.0244 -16.0244 -13.6411 -13.6411 -13.1933 -13.1933 -7.0995 -7.0842 -7.0619 -7.0543 -6.3185 -6.3020 -6.2770 -6.2483 -6.1894 -6.1844 -6.1587 -6.1505 -4.2606 -4.2581 -3.9843 -3.9842 -1.9098 -1.9074 -1.4699 -1.4592 -1.3623 -1.3469 0.6467 0.6508 1.0801 1.0869 1.0897 1.1007 1.9096 1.9131 1.9650 1.9708 2.0715 2.0764 2.1310 2.1351 5.7743 5.7744 8.6163 8.6183 9.4329 9.4335 9.8061 9.8093 9.9511 9.9576 k =-0.2836 0.7739 0.1894 ( 5163 PWs) bands (ev): -22.2607 -22.2607 -22.2604 -22.2604 -16.0282 -16.0282 -16.0251 -16.0251 -13.6332 -13.6332 -13.2027 -13.2027 -7.0972 -7.0823 -7.0606 -7.0534 -6.3168 -6.3017 -6.2741 -6.2467 -6.1871 -6.1831 -6.1548 -6.1470 -4.2520 -4.2496 -3.9880 -3.9879 -1.8805 -1.8780 -1.4721 -1.4617 -1.3653 -1.3502 0.5671 0.5708 1.0636 1.0704 1.0741 1.0848 1.9139 1.9174 1.9709 1.9763 2.0739 2.0785 2.1290 2.1331 5.8578 5.8581 8.6004 8.6024 9.4591 9.4599 9.8013 9.8046 9.9886 9.9950 k =-0.2836 0.7739 0.2083 ( 5163 PWs) bands (ev): -22.2606 -22.2606 -22.2604 -22.2603 -16.0288 -16.0287 -16.0258 -16.0258 -13.6246 -13.6246 -13.2130 -13.2129 -7.0947 -7.0803 -7.0592 -7.0526 -6.3149 -6.3013 -6.2713 -6.2455 -6.1840 -6.1813 -6.1509 -6.1435 -4.2429 -4.2405 -3.9920 -3.9919 -1.8484 -1.8457 -1.4744 -1.4644 -1.3681 -1.3532 0.4836 0.4869 1.0466 1.0532 1.0578 1.0682 1.9186 1.9221 1.9769 1.9819 2.0755 2.0798 2.1267 2.1309 5.9468 5.9471 8.5795 8.5814 9.4872 9.4883 9.7996 9.8032 10.0288 10.0351 k =-0.2836 0.7739 0.2273 ( 5159 PWs) bands (ev): -22.2605 -22.2605 -22.2603 -22.2603 -16.0294 -16.0293 -16.0266 -16.0265 -13.6153 -13.6152 -13.2239 -13.2239 -7.0922 -7.0783 -7.0579 -7.0518 -6.3128 -6.3007 -6.2689 -6.2448 -6.1803 -6.1789 -6.1468 -6.1399 -4.2333 -4.2310 -3.9964 -3.9963 -1.8135 -1.8107 -1.4767 -1.4672 -1.3704 -1.3558 0.3969 0.3999 1.0294 1.0358 1.0412 1.0511 1.9236 1.9271 1.9829 1.9876 2.0763 2.0803 2.1243 2.1286 6.0406 6.0409 8.5530 8.5549 9.5170 9.5183 9.8014 9.8053 10.0715 10.0777 k =-0.2836 0.7739 0.2462 ( 5159 PWs) bands (ev): -22.2604 -22.2604 -22.2602 -22.2602 -16.0300 -16.0299 -16.0273 -16.0273 -13.6052 -13.6052 -13.2357 -13.2356 -7.0895 -7.0762 -7.0565 -7.0510 -6.3107 -6.3001 -6.2669 -6.2446 -6.1761 -6.1760 -6.1428 -6.1364 -4.2233 -4.2212 -4.0012 -4.0010 -1.7762 -1.7733 -1.4789 -1.4700 -1.3719 -1.3576 0.3077 0.3105 1.0122 1.0184 1.0244 1.0338 1.9289 1.9324 1.9890 1.9934 2.0763 2.0800 2.1217 2.1260 6.1384 6.1389 8.5204 8.5222 9.5482 9.5498 9.8069 9.8110 10.1161 10.1223 k =-0.2836 0.7739 0.2651 ( 5153 PWs) bands (ev): -22.2603 -22.2603 -22.2601 -22.2601 -16.0306 -16.0306 -16.0281 -16.0280 -13.5945 -13.5945 -13.2480 -13.2479 -7.0868 -7.0741 -7.0552 -7.0503 -6.3086 -6.2994 -6.2653 -6.2448 -6.1725 -6.1715 -6.1388 -6.1329 -4.2131 -4.2110 -4.0062 -4.0061 -1.7369 -1.7338 -1.4812 -1.4729 -1.3721 -1.3581 0.2165 0.2191 0.9953 1.0011 1.0076 1.0165 1.9345 1.9380 1.9951 1.9992 2.0756 2.0790 2.1189 2.1232 6.2398 6.2403 8.4812 8.4830 9.5807 9.5824 9.8161 9.8204 10.1624 10.1685 k =-0.2836 0.7739 0.2841 ( 5147 PWs) bands (ev): -22.2602 -22.2602 -22.2600 -22.2600 -16.0312 -16.0311 -16.0289 -16.0288 -13.5832 -13.5832 -13.2610 -13.2609 -7.0841 -7.0721 -7.0539 -7.0497 -6.3064 -6.2987 -6.2640 -6.2454 -6.1686 -6.1667 -6.1350 -6.1295 -4.2027 -4.2007 -4.0116 -4.0114 -1.6963 -1.6931 -1.4833 -1.4756 -1.3701 -1.3565 0.1239 0.1264 0.9790 0.9844 0.9911 0.9995 1.9403 1.9439 2.0012 2.0050 2.0742 2.0774 2.1159 2.1202 6.3440 6.3446 8.4353 8.4370 9.6140 9.6159 9.8286 9.8332 10.2099 10.2160 k =-0.2836 0.7739 0.3030 ( 5157 PWs) bands (ev): -22.2602 -22.2602 -22.2600 -22.2600 -16.0317 -16.0317 -16.0296 -16.0295 -13.5712 -13.5712 -13.2745 -13.2745 -7.0814 -7.0700 -7.0527 -7.0492 -6.3043 -6.2978 -6.2632 -6.2462 -6.1644 -6.1617 -6.1313 -6.1262 -4.1922 -4.1903 -4.0174 -4.0171 -1.6555 -1.6523 -1.4853 -1.4783 -1.3649 -1.3516 0.0304 0.0327 0.9633 0.9683 0.9752 0.9830 1.9464 1.9499 2.0071 2.0106 2.0722 2.0750 2.1127 2.1171 6.4507 6.4513 8.3825 8.3842 9.6480 9.6499 9.8440 9.8489 10.2581 10.2641 k =-0.2836 0.7739 0.3220 ( 5153 PWs) bands (ev): -22.2601 -22.2601 -22.2599 -22.2599 -16.0323 -16.0322 -16.0303 -16.0303 -13.5587 -13.5587 -13.2886 -13.2885 -7.0787 -7.0680 -7.0517 -7.0488 -6.3022 -6.2970 -6.2626 -6.2473 -6.1600 -6.1567 -6.1278 -6.1231 -4.1816 -4.1798 -4.0234 -4.0231 -1.6163 -1.6133 -1.4870 -1.4809 -1.3544 -1.3418 -0.0635 -0.0613 0.9486 0.9532 0.9600 0.9672 1.9527 1.9563 2.0129 2.0161 2.0697 2.0722 2.1093 2.1137 6.5592 6.5599 8.3230 8.3247 9.6822 9.6842 9.8617 9.8667 10.3063 10.3124 k =-0.2836 0.7739 0.3409 ( 5153 PWs) bands (ev): -22.2600 -22.2600 -22.2599 -22.2599 -16.0328 -16.0327 -16.0310 -16.0309 -13.5456 -13.5456 -13.3031 -13.3030 -7.0760 -7.0662 -7.0507 -7.0485 -6.3001 -6.2961 -6.2623 -6.2486 -6.1555 -6.1519 -6.1245 -6.1203 -4.1710 -4.1693 -4.0297 -4.0294 -1.5810 -1.5785 -1.4884 -1.4832 -1.3362 -1.3246 -0.1575 -0.1554 0.9351 0.9392 0.9457 0.9523 1.9592 1.9627 2.0184 2.0211 2.0669 2.0690 2.1058 2.1102 6.6691 6.6699 8.2570 8.2587 9.7164 9.7183 9.8806 9.8856 10.3540 10.3601 k =-0.2836 0.7739 0.3598 ( 5149 PWs) bands (ev): -22.2599 -22.2599 -22.2598 -22.2598 -16.0332 -16.0332 -16.0316 -16.0316 -13.5321 -13.5321 -13.3179 -13.3178 -7.0735 -7.0645 -7.0499 -7.0483 -6.2982 -6.2952 -6.2622 -6.2500 -6.1511 -6.1473 -6.1216 -6.1177 -4.1605 -4.1589 -4.0364 -4.0359 -1.5521 -1.5507 -1.4895 -1.4853 -1.3078 -1.2975 -0.2512 -0.2490 0.9229 0.9265 0.9326 0.9385 1.9658 1.9694 2.0235 2.0256 2.0641 2.0655 2.1021 2.1065 6.7799 6.7807 8.1849 8.1866 9.7502 9.7520 9.8996 9.9047 10.4003 10.4065 k =-0.2836 0.7739 0.3788 ( 5149 PWs) bands (ev): -22.2599 -22.2599 -22.2597 -22.2597 -16.0336 -16.0335 -16.0322 -16.0322 -13.5181 -13.5181 -13.3331 -13.3330 -7.0710 -7.0629 -7.0493 -7.0482 -6.2964 -6.2943 -6.2621 -6.2514 -6.1469 -6.1431 -6.1190 -6.1155 -4.1501 -4.1486 -4.0433 -4.0428 -1.5310 -1.5309 -1.4902 -1.4871 -1.2679 -1.2593 -0.3441 -0.3420 0.9122 0.9152 0.9208 0.9260 1.9725 1.9761 2.0279 2.0290 2.0617 2.0622 2.0982 2.1026 6.8912 6.8921 8.1071 8.1087 9.7832 9.7848 9.9174 9.9224 10.4446 10.4507 k =-0.2836 0.7739 0.3977 ( 5153 PWs) bands (ev): -22.2598 -22.2598 -22.2597 -22.2597 -16.0339 -16.0338 -16.0327 -16.0327 -13.5037 -13.5037 -13.3485 -13.3484 -7.0687 -7.0616 -7.0488 -7.0481 -6.2948 -6.2934 -6.2620 -6.2530 -6.1430 -6.1394 -6.1167 -6.1137 -4.1399 -4.1385 -4.0506 -4.0500 -1.5184 -1.5171 -1.4904 -1.4885 -1.2175 -1.2105 -0.4360 -0.4338 0.9032 0.9055 0.9104 0.9149 1.9792 1.9828 2.0308 2.0311 2.0596 2.0605 2.0942 2.0986 7.0025 7.0035 8.0239 8.0255 9.8150 9.8164 9.9327 9.9373 10.4856 10.4916 k =-0.2836 0.7739 0.4166 ( 5149 PWs) bands (ev): -22.2597 -22.2597 -22.2597 -22.2597 -16.0341 -16.0341 -16.0332 -16.0332 -13.4889 -13.4889 -13.3641 -13.3641 -7.0666 -7.0606 -7.0484 -7.0482 -6.2935 -6.2927 -6.2619 -6.2545 -6.1395 -6.1364 -6.1148 -6.1123 -4.1299 -4.1286 -4.0581 -4.0574 -1.5111 -1.5089 -1.4902 -1.4893 -1.1586 -1.1529 -0.5265 -0.5243 0.8958 0.8975 0.9016 0.9054 1.9860 1.9896 2.0303 2.0321 2.0585 2.0610 2.0901 2.0945 7.1134 7.1145 7.9359 7.9375 9.8451 9.8461 9.9441 9.9483 10.5224 10.5282 k =-0.2836 0.7739 0.4356 ( 5150 PWs) bands (ev): -22.2597 -22.2597 -22.2596 -22.2596 -16.0343 -16.0343 -16.0336 -16.0335 -13.4739 -13.4738 -13.3799 -13.3798 -7.0647 -7.0600 -7.0482 -7.0482 -6.2924 -6.2920 -6.2616 -6.2560 -6.1365 -6.1340 -6.1132 -6.1112 -4.1202 -4.1190 -4.0658 -4.0651 -1.5070 -1.5047 -1.4898 -1.4896 -1.0930 -1.0883 -0.6154 -0.6130 0.8902 0.8913 0.8946 0.8977 1.9927 1.9964 2.0276 2.0305 2.0596 2.0631 2.0861 2.0903 7.2235 7.2247 7.8436 7.8451 9.8730 9.8735 9.9505 9.9541 10.5536 10.5590 k =-0.2836 0.7739 0.4545 ( 5144 PWs) bands (ev): -22.2597 -22.2597 -22.2596 -22.2596 -16.0344 -16.0344 -16.0339 -16.0338 -13.4585 -13.4585 -13.3957 -13.3956 -7.0630 -7.0598 -7.0482 -7.0481 -6.2916 -6.2915 -6.2612 -6.2573 -6.1341 -6.1324 -6.1120 -6.1106 -4.1109 -4.1098 -4.0738 -4.0730 -1.5048 -1.5029 -1.4896 -1.4895 -1.0223 -1.0183 -0.7022 -0.6996 0.8866 0.8870 0.8894 0.8917 1.9993 2.0030 2.0234 2.0268 2.0623 2.0660 2.0822 2.0862 7.3325 7.3337 7.7473 7.7488 9.8979 9.8979 9.9512 9.9541 10.5782 10.5829 k =-0.2836 0.7739 0.4735 ( 5147 PWs) bands (ev): -22.2596 -22.2596 -22.2596 -22.2596 -16.0344 -16.0344 -16.0341 -16.0341 -13.4430 -13.4430 -13.4115 -13.4115 -7.0616 -7.0600 -7.0482 -7.0481 -6.2912 -6.2911 -6.2606 -6.2586 -6.1325 -6.1316 -6.1111 -6.1104 -4.1021 -4.1012 -4.0815 -4.0808 -1.5035 -1.5024 -1.4894 -1.4893 -0.9472 -0.9438 -0.7866 -0.7839 0.8846 0.8846 0.8862 0.8876 2.0057 2.0093 2.0184 2.0219 2.0657 2.0685 2.0792 2.0822 7.4397 7.4410 7.6476 7.6490 9.9185 9.9191 9.9459 9.9481 10.5951 10.5984 k =-0.2836 0.7739 0.4924 ( 5158 PWs) bands (ev): -22.2596 -22.2596 -22.2596 -22.2596 -16.0344 -16.0344 -16.0342 -16.0342 -13.4276 -13.4276 -13.4269 -13.4269 -7.0606 -7.0606 -7.0481 -7.0481 -6.2910 -6.2910 -6.2597 -6.2597 -6.1316 -6.1316 -6.1106 -6.1106 -4.0965 -4.0965 -4.0861 -4.0861 -1.5027 -1.5027 -1.4893 -1.4893 -0.8702 -0.8702 -0.8637 -0.8637 0.8839 0.8839 0.8856 0.8856 2.0115 2.0115 2.0166 2.0166 2.0685 2.0685 2.0793 2.0793 7.5441 7.5441 7.5470 7.5470 9.9335 9.9335 9.9375 9.9375 10.6028 10.6028 k =-0.2836 0.7739 0.4924 ( 5158 PWs) bands (ev): -22.2596 -22.2596 -22.2596 -22.2596 -16.0344 -16.0344 -16.0342 -16.0342 -13.4276 -13.4276 -13.4269 -13.4269 -7.0606 -7.0606 -7.0481 -7.0481 -6.2910 -6.2910 -6.2597 -6.2597 -6.1316 -6.1316 -6.1106 -6.1106 -4.0965 -4.0965 -4.0861 -4.0861 -1.5027 -1.5027 -1.4893 -1.4893 -0.8702 -0.8702 -0.8637 -0.8637 0.8839 0.8839 0.8856 0.8856 2.0115 2.0115 2.0166 2.0166 2.0685 2.0685 2.0793 2.0793 7.5441 7.5441 7.5470 7.5470 9.9335 9.9335 9.9375 9.9375 10.6028 10.6028 k =-0.2899 0.7565 0.4924 ( 5158 PWs) bands (ev): -22.2600 -22.2600 -22.2600 -22.2600 -16.0379 -16.0379 -16.0376 -16.0376 -13.4228 -13.4228 -13.4221 -13.4221 -7.0566 -7.0566 -7.0447 -7.0447 -6.2843 -6.2843 -6.2540 -6.2540 -6.1297 -6.1297 -6.1075 -6.1075 -4.1033 -4.1033 -4.0946 -4.0946 -1.5088 -1.5088 -1.4963 -1.4963 -0.8702 -0.8702 -0.8632 -0.8632 0.8848 0.8848 0.8864 0.8864 2.0105 2.0105 2.0166 2.0166 2.0735 2.0735 2.0859 2.0859 7.5421 7.5421 7.5450 7.5450 9.9152 9.9152 9.9189 9.9189 10.6034 10.6034 k =-0.2963 0.7391 0.4924 ( 5158 PWs) bands (ev): -22.2604 -22.2604 -22.2604 -22.2604 -16.0419 -16.0419 -16.0417 -16.0417 -13.4172 -13.4172 -13.4163 -13.4163 -7.0523 -7.0523 -7.0410 -7.0410 -6.2774 -6.2774 -6.2481 -6.2481 -6.1278 -6.1278 -6.1043 -6.1043 -4.1100 -4.1100 -4.1030 -4.1030 -1.5146 -1.5146 -1.5028 -1.5028 -0.8702 -0.8702 -0.8628 -0.8628 0.8860 0.8860 0.8874 0.8874 2.0072 2.0072 2.0139 2.0139 2.0796 2.0796 2.0928 2.0928 7.5397 7.5397 7.5427 7.5427 9.8970 9.8970 9.9006 9.9006 10.6000 10.6000 k =-0.3027 0.7218 0.4924 ( 5158 PWs) bands (ev): -22.2609 -22.2609 -22.2609 -22.2609 -16.0464 -16.0464 -16.0462 -16.0462 -13.4106 -13.4106 -13.4098 -13.4098 -7.0479 -7.0479 -7.0372 -7.0372 -6.2702 -6.2702 -6.2420 -6.2420 -6.1258 -6.1258 -6.1008 -6.1008 -4.1165 -4.1165 -4.1110 -4.1110 -1.5200 -1.5200 -1.5089 -1.5089 -0.8703 -0.8703 -0.8624 -0.8624 0.8875 0.8875 0.8889 0.8889 2.0020 2.0020 2.0091 2.0091 2.0860 2.0860 2.0998 2.0998 7.5369 7.5369 7.5399 7.5399 9.8791 9.8791 9.8825 9.8825 10.5923 10.5923 k =-0.3090 0.7044 0.4924 ( 5160 PWs) bands (ev): -22.2615 -22.2615 -22.2615 -22.2615 -16.0514 -16.0514 -16.0511 -16.0511 -13.4033 -13.4033 -13.4024 -13.4024 -7.0434 -7.0434 -7.0333 -7.0333 -6.2629 -6.2629 -6.2356 -6.2356 -6.1239 -6.1239 -6.0972 -6.0972 -4.1229 -4.1229 -4.1187 -4.1187 -1.5250 -1.5250 -1.5145 -1.5145 -0.8703 -0.8703 -0.8621 -0.8621 0.8893 0.8893 0.8906 0.8906 1.9951 1.9951 2.0025 2.0025 2.0923 2.0923 2.1063 2.1063 7.5338 7.5338 7.5369 7.5369 9.8616 9.8616 9.8648 9.8648 10.5802 10.5802 k =-0.3154 0.6870 0.4924 ( 5160 PWs) bands (ev): -22.2621 -22.2621 -22.2621 -22.2621 -16.0568 -16.0568 -16.0565 -16.0565 -13.3953 -13.3953 -13.3944 -13.3944 -7.0387 -7.0387 -7.0294 -7.0294 -6.2556 -6.2556 -6.2290 -6.2290 -6.1221 -6.1221 -6.0935 -6.0935 -4.1290 -4.1290 -4.1257 -4.1257 -1.5296 -1.5296 -1.5198 -1.5198 -0.8702 -0.8702 -0.8616 -0.8616 0.8915 0.8915 0.8926 0.8926 1.9869 1.9869 1.9945 1.9945 2.0980 2.0980 2.1122 2.1122 7.5304 7.5304 7.5335 7.5335 9.8444 9.8444 9.8475 9.8475 10.5637 10.5637 k =-0.3218 0.6696 0.4924 ( 5162 PWs) bands (ev): -22.2628 -22.2628 -22.2628 -22.2628 -16.0626 -16.0626 -16.0622 -16.0622 -13.3866 -13.3866 -13.3856 -13.3856 -7.0340 -7.0340 -7.0253 -7.0253 -6.2484 -6.2484 -6.2222 -6.2222 -6.1203 -6.1203 -6.0896 -6.0896 -4.1351 -4.1351 -4.1319 -4.1319 -1.5340 -1.5340 -1.5246 -1.5246 -0.8700 -0.8700 -0.8610 -0.8610 0.8938 0.8938 0.8949 0.8949 1.9775 1.9775 1.9853 1.9853 2.1030 2.1030 2.1172 2.1172 7.5268 7.5268 7.5298 7.5298 9.8277 9.8277 9.8306 9.8306 10.5431 10.5431 k =-0.3281 0.6523 0.4924 ( 5156 PWs) bands (ev): -22.2635 -22.2635 -22.2635 -22.2635 -16.0687 -16.0687 -16.0683 -16.0683 -13.3772 -13.3772 -13.3762 -13.3762 -7.0294 -7.0294 -7.0212 -7.0212 -6.2414 -6.2414 -6.2152 -6.2152 -6.1185 -6.1185 -6.0856 -6.0856 -4.1411 -4.1411 -4.1370 -4.1370 -1.5381 -1.5381 -1.5291 -1.5291 -0.8695 -0.8695 -0.8602 -0.8602 0.8963 0.8963 0.8974 0.8974 1.9671 1.9671 1.9750 1.9750 2.1070 2.1070 2.1213 2.1213 7.5228 7.5228 7.5259 7.5259 9.8114 9.8114 9.8142 9.8142 10.5184 10.5184 k =-0.3345 0.6349 0.4924 ( 5164 PWs) bands (ev): -22.2643 -22.2643 -22.2643 -22.2643 -16.0751 -16.0751 -16.0747 -16.0747 -13.3673 -13.3673 -13.3663 -13.3663 -7.0248 -7.0248 -7.0170 -7.0170 -6.2346 -6.2346 -6.2080 -6.2080 -6.1167 -6.1167 -6.0814 -6.0814 -4.1468 -4.1468 -4.1414 -4.1414 -1.5420 -1.5420 -1.5333 -1.5333 -0.8687 -0.8687 -0.8592 -0.8592 0.8990 0.8990 0.9001 0.9001 1.9558 1.9558 1.9638 1.9638 2.1100 2.1100 2.1242 2.1242 7.5187 7.5187 7.5218 7.5218 9.7954 9.7954 9.7982 9.7982 10.4899 10.4899 k =-0.3409 0.6175 0.4924 ( 5168 PWs) bands (ev): -22.2651 -22.2651 -22.2651 -22.2651 -16.0817 -16.0817 -16.0814 -16.0814 -13.3569 -13.3569 -13.3559 -13.3559 -7.0203 -7.0203 -7.0128 -7.0128 -6.2281 -6.2281 -6.2007 -6.2007 -6.1149 -6.1149 -6.0772 -6.0772 -4.1518 -4.1518 -4.1450 -4.1450 -1.5457 -1.5457 -1.5374 -1.5374 -0.8675 -0.8675 -0.8577 -0.8577 0.9017 0.9017 0.9028 0.9028 1.9437 1.9437 1.9520 1.9520 2.1117 2.1117 2.1260 2.1260 7.5144 7.5144 7.5175 7.5175 9.7797 9.7797 9.7826 9.7826 10.4579 10.4579 k =-0.3472 0.6002 0.4924 ( 5168 PWs) bands (ev): -22.2659 -22.2659 -22.2659 -22.2659 -16.0886 -16.0886 -16.0882 -16.0882 -13.3461 -13.3461 -13.3451 -13.3451 -7.0159 -7.0159 -7.0086 -7.0086 -6.2219 -6.2219 -6.1932 -6.1932 -6.1132 -6.1132 -6.0729 -6.0729 -4.1562 -4.1562 -4.1480 -4.1480 -1.5494 -1.5494 -1.5413 -1.5413 -0.8658 -0.8658 -0.8558 -0.8558 0.9045 0.9045 0.9057 0.9057 1.9310 1.9310 1.9395 1.9395 2.1123 2.1123 2.1266 2.1266 7.5099 7.5099 7.5130 7.5130 9.7641 9.7641 9.7671 9.7671 10.4226 10.4226 k =-0.3536 0.5828 0.4924 ( 5168 PWs) bands (ev): -22.2667 -22.2667 -22.2667 -22.2667 -16.0956 -16.0956 -16.0952 -16.0952 -13.3350 -13.3350 -13.3340 -13.3340 -7.0118 -7.0118 -7.0044 -7.0044 -6.2161 -6.2161 -6.1858 -6.1858 -6.1115 -6.1115 -6.0687 -6.0687 -4.1598 -4.1598 -4.1502 -4.1502 -1.5531 -1.5531 -1.5452 -1.5452 -0.8636 -0.8636 -0.8534 -0.8534 0.9072 0.9072 0.9085 0.9085 1.9178 1.9178 1.9266 1.9266 2.1115 2.1115 2.1258 2.1258 7.5053 7.5053 7.5084 7.5084 9.7483 9.7483 9.7517 9.7517 10.3847 10.3847 k =-0.3600 0.5654 0.4924 ( 5168 PWs) bands (ev): -22.2676 -22.2676 -22.2676 -22.2676 -16.1027 -16.1027 -16.1024 -16.1024 -13.3236 -13.3236 -13.3226 -13.3226 -7.0078 -7.0078 -7.0002 -7.0002 -6.2107 -6.2107 -6.1784 -6.1784 -6.1098 -6.1098 -6.0644 -6.0644 -4.1626 -4.1626 -4.1516 -4.1516 -1.5569 -1.5569 -1.5492 -1.5492 -0.8608 -0.8608 -0.8504 -0.8504 0.9099 0.9099 0.9114 0.9114 1.9044 1.9044 1.9134 1.9134 2.1095 2.1095 2.1238 2.1238 7.5006 7.5006 7.5037 7.5037 9.7322 9.7322 9.7361 9.7361 10.3447 10.3447 k =-0.3663 0.5480 0.4924 ( 5168 PWs) bands (ev): -22.2685 -22.2685 -22.2685 -22.2685 -16.1099 -16.1099 -16.1095 -16.1095 -13.3120 -13.3120 -13.3110 -13.3110 -7.0040 -7.0040 -6.9961 -6.9961 -6.2055 -6.2055 -6.1712 -6.1712 -6.1081 -6.1081 -6.0603 -6.0603 -4.1645 -4.1645 -4.1524 -4.1524 -1.5608 -1.5608 -1.5533 -1.5533 -0.8573 -0.8573 -0.8468 -0.8468 0.9125 0.9125 0.9141 0.9141 1.8908 1.8908 1.9001 1.9001 2.1061 2.1061 2.1204 2.1204 7.4959 7.4959 7.4989 7.4989 9.7155 9.7155 9.7199 9.7199 10.3035 10.3035 k =-0.3727 0.5307 0.4924 ( 5174 PWs) bands (ev): -22.2694 -22.2694 -22.2694 -22.2694 -16.1171 -16.1171 -16.1167 -16.1167 -13.3003 -13.3003 -13.2993 -13.2993 -7.0003 -7.0003 -6.9921 -6.9921 -6.2007 -6.2007 -6.1643 -6.1643 -6.1062 -6.1062 -6.0562 -6.0562 -4.1656 -4.1656 -4.1524 -4.1524 -1.5648 -1.5648 -1.5576 -1.5576 -0.8532 -0.8532 -0.8425 -0.8425 0.9149 0.9149 0.9167 0.9167 1.8771 1.8771 1.8867 1.8867 2.1015 2.1015 2.1158 2.1158 7.4911 7.4911 7.4941 7.4941 9.6977 9.6977 9.7029 9.7029 10.2620 10.2620 k =-0.3791 0.5133 0.4924 ( 5190 PWs) bands (ev): -22.2703 -22.2703 -22.2703 -22.2703 -16.1242 -16.1242 -16.1239 -16.1239 -13.2886 -13.2886 -13.2876 -13.2876 -6.9969 -6.9969 -6.9883 -6.9883 -6.1962 -6.1962 -6.1578 -6.1578 -6.1043 -6.1043 -6.0524 -6.0524 -4.1659 -4.1659 -4.1517 -4.1517 -1.5692 -1.5692 -1.5622 -1.5622 -0.8483 -0.8483 -0.8375 -0.8375 0.9172 0.9172 0.9191 0.9191 1.8636 1.8636 1.8736 1.8736 2.0956 2.0956 2.1099 2.1099 7.4864 7.4864 7.4893 7.4893 9.6786 9.6786 9.6845 9.6845 10.2212 10.2212 k =-0.3854 0.4959 0.4924 ( 5182 PWs) bands (ev): -22.2712 -22.2712 -22.2712 -22.2712 -16.1313 -16.1313 -16.1310 -16.1310 -13.2769 -13.2769 -13.2759 -13.2759 -6.9936 -6.9936 -6.9846 -6.9846 -6.1919 -6.1919 -6.1517 -6.1517 -6.1023 -6.1023 -6.0487 -6.0487 -4.1653 -4.1653 -4.1503 -4.1503 -1.5737 -1.5737 -1.5670 -1.5670 -0.8427 -0.8427 -0.8319 -0.8319 0.9191 0.9191 0.9212 0.9212 1.8505 1.8505 1.8608 1.8608 2.0884 2.0884 2.1027 2.1027 7.4817 7.4817 7.4845 7.4845 9.6577 9.6577 9.6644 9.6644 10.1821 10.1821 k =-0.3918 0.4785 0.4924 ( 5186 PWs) bands (ev): -22.2721 -22.2721 -22.2721 -22.2721 -16.1383 -16.1383 -16.1380 -16.1380 -13.2654 -13.2654 -13.2644 -13.2644 -6.9905 -6.9905 -6.9812 -6.9812 -6.1878 -6.1878 -6.1462 -6.1462 -6.1000 -6.1000 -6.0453 -6.0453 -4.1639 -4.1639 -4.1483 -4.1483 -1.5786 -1.5786 -1.5721 -1.5721 -0.8364 -0.8364 -0.8256 -0.8256 0.9208 0.9208 0.9230 0.9230 1.8378 1.8378 1.8485 1.8485 2.0802 2.0802 2.0945 2.0945 7.4771 7.4771 7.4799 7.4799 9.6348 9.6348 9.6422 9.6422 10.1457 10.1457 k =-0.3981 0.4612 0.4924 ( 5186 PWs) bands (ev): -22.2729 -22.2729 -22.2729 -22.2729 -16.1451 -16.1451 -16.1448 -16.1448 -13.2540 -13.2540 -13.2530 -13.2530 -6.9875 -6.9875 -6.9779 -6.9779 -6.1839 -6.1839 -6.1414 -6.1414 -6.0975 -6.0975 -6.0422 -6.0422 -4.1618 -4.1618 -4.1457 -4.1457 -1.5837 -1.5837 -1.5775 -1.5775 -0.8295 -0.8295 -0.8188 -0.8188 0.9222 0.9222 0.9246 0.9246 1.8258 1.8258 1.8368 1.8368 2.0709 2.0709 2.0851 2.0851 7.4726 7.4726 7.4753 7.4753 9.6096 9.6096 9.6176 9.6176 10.1128 10.1128 k =-0.4045 0.4438 0.4924 ( 5184 PWs) bands (ev): -22.2738 -22.2738 -22.2738 -22.2738 -16.1517 -16.1517 -16.1514 -16.1514 -13.2429 -13.2429 -13.2420 -13.2420 -6.9847 -6.9847 -6.9749 -6.9749 -6.1802 -6.1802 -6.1374 -6.1374 -6.0946 -6.0946 -6.0394 -6.0394 -4.1589 -4.1589 -4.1426 -4.1426 -1.5890 -1.5890 -1.5831 -1.5831 -0.8220 -0.8220 -0.8114 -0.8114 0.9233 0.9233 0.9258 0.9258 1.8145 1.8145 1.8259 1.8259 2.0606 2.0606 2.0748 2.0748 7.4683 7.4683 7.4709 7.4709 9.5821 9.5821 9.5906 9.5906 10.0838 10.0838 k =-0.4109 0.4264 0.4924 ( 5180 PWs) bands (ev): -22.2746 -22.2746 -22.2746 -22.2746 -16.1580 -16.1580 -16.1577 -16.1577 -13.2322 -13.2322 -13.2313 -13.2313 -6.9821 -6.9821 -6.9722 -6.9722 -6.1767 -6.1767 -6.1341 -6.1341 -6.0915 -6.0915 -6.0369 -6.0369 -4.1554 -4.1554 -4.1390 -4.1390 -1.5945 -1.5945 -1.5890 -1.5890 -0.8141 -0.8141 -0.8037 -0.8037 0.9241 0.9241 0.9266 0.9266 1.8042 1.8042 1.8159 1.8159 2.0494 2.0494 2.0636 2.0636 7.4641 7.4641 7.4666 7.4666 9.5527 9.5527 9.5614 9.5614 10.0590 10.0590 k =-0.4172 0.4091 0.4924 ( 5180 PWs) bands (ev): -22.2754 -22.2754 -22.2754 -22.2754 -16.1641 -16.1641 -16.1638 -16.1638 -13.2218 -13.2218 -13.2210 -13.2210 -6.9796 -6.9796 -6.9697 -6.9697 -6.1733 -6.1733 -6.1315 -6.1315 -6.0880 -6.0880 -6.0349 -6.0349 -4.1514 -4.1514 -4.1351 -4.1351 -1.6002 -1.6002 -1.5950 -1.5950 -0.8058 -0.8058 -0.7956 -0.7956 0.9245 0.9245 0.9271 0.9271 1.7949 1.7949 1.8069 1.8069 2.0375 2.0375 2.0517 2.0517 7.4601 7.4601 7.4625 7.4625 9.5217 9.5217 9.5305 9.5305 10.0384 10.0384 k =-0.4236 0.3917 0.4924 ( 5180 PWs) bands (ev): -22.2762 -22.2762 -22.2762 -22.2762 -16.1699 -16.1699 -16.1696 -16.1696 -13.2120 -13.2120 -13.2112 -13.2112 -6.9772 -6.9772 -6.9675 -6.9675 -6.1701 -6.1701 -6.1296 -6.1296 -6.0844 -6.0844 -6.0332 -6.0332 -4.1469 -4.1469 -4.1309 -4.1309 -1.6060 -1.6060 -1.6011 -1.6011 -0.7973 -0.7973 -0.7874 -0.7874 0.9247 0.9247 0.9273 0.9273 1.7867 1.7867 1.7989 1.7989 2.0251 2.0251 2.0391 2.0391 7.4563 7.4563 7.4586 7.4586 9.4898 9.4898 9.4984 9.4984 10.0216 10.0216 k =-0.4300 0.3743 0.4924 ( 5184 PWs) bands (ev): -22.2769 -22.2769 -22.2769 -22.2769 -16.1753 -16.1753 -16.1751 -16.1751 -13.2026 -13.2026 -13.2019 -13.2019 -6.9749 -6.9749 -6.9655 -6.9655 -6.1670 -6.1670 -6.1284 -6.1284 -6.0805 -6.0805 -6.0319 -6.0319 -4.1420 -4.1420 -4.1266 -4.1266 -1.6117 -1.6117 -1.6073 -1.6073 -0.7886 -0.7886 -0.7792 -0.7792 0.9245 0.9245 0.9271 0.9271 1.7797 1.7797 1.7921 1.7921 2.0122 2.0122 2.0261 2.0261 7.4528 7.4528 7.4549 7.4549 9.4577 9.4577 9.4660 9.4660 10.0084 10.0084 k =-0.4363 0.3569 0.4924 ( 5176 PWs) bands (ev): -22.2775 -22.2775 -22.2775 -22.2775 -16.1803 -16.1803 -16.1801 -16.1801 -13.1939 -13.1939 -13.1932 -13.1932 -6.9729 -6.9729 -6.9638 -6.9638 -6.1639 -6.1639 -6.1277 -6.1277 -6.0766 -6.0766 -6.0311 -6.0311 -4.1370 -4.1370 -4.1222 -4.1222 -1.6174 -1.6174 -1.6133 -1.6133 -0.7800 -0.7800 -0.7711 -0.7711 0.9242 0.9242 0.9267 0.9267 1.7740 1.7740 1.7865 1.7865 1.9992 1.9992 2.0128 2.0128 7.4496 7.4496 7.4516 7.4516 9.4261 9.4261 9.4339 9.4339 9.9982 9.9982 k =-0.4427 0.3396 0.4924 ( 5180 PWs) bands (ev): -22.2782 -22.2782 -22.2782 -22.2782 -16.1850 -16.1850 -16.1848 -16.1848 -13.1859 -13.1859 -13.1852 -13.1852 -6.9709 -6.9709 -6.9623 -6.9623 -6.1610 -6.1610 -6.1274 -6.1274 -6.0727 -6.0727 -6.0306 -6.0306 -4.1318 -4.1318 -4.1180 -4.1180 -1.6229 -1.6229 -1.6192 -1.6192 -0.7716 -0.7716 -0.7633 -0.7633 0.9236 0.9236 0.9261 0.9261 1.7696 1.7696 1.7820 1.7820 1.9861 1.9861 1.9994 1.9994 7.4466 7.4466 7.4484 7.4484 9.3958 9.3958 9.4030 9.4030 9.9904 9.9904 k =-0.4491 0.3222 0.4924 ( 5180 PWs) bands (ev): -22.2787 -22.2787 -22.2787 -22.2787 -16.1892 -16.1892 -16.1890 -16.1890 -13.1785 -13.1785 -13.1779 -13.1779 -6.9691 -6.9691 -6.9611 -6.9611 -6.1581 -6.1581 -6.1276 -6.1276 -6.0688 -6.0688 -6.0305 -6.0305 -4.1266 -4.1266 -4.1139 -4.1139 -1.6281 -1.6281 -1.6248 -1.6248 -0.7635 -0.7635 -0.7559 -0.7559 0.9229 0.9229 0.9252 0.9252 1.7664 1.7664 1.7786 1.7786 1.9732 1.9732 1.9861 1.9861 7.4439 7.4439 7.4455 7.4455 9.3673 9.3673 9.3738 9.3738 9.9847 9.9847 k =-0.4554 0.3048 0.4924 ( 5184 PWs) bands (ev): -22.2792 -22.2792 -22.2792 -22.2792 -16.1930 -16.1930 -16.1928 -16.1928 -13.1719 -13.1719 -13.1714 -13.1714 -6.9674 -6.9674 -6.9602 -6.9602 -6.1554 -6.1554 -6.1281 -6.1281 -6.0650 -6.0650 -6.0309 -6.0309 -4.1216 -4.1216 -4.1101 -4.1101 -1.6330 -1.6330 -1.6301 -1.6301 -0.7559 -0.7559 -0.7490 -0.7490 0.9222 0.9222 0.9243 0.9243 1.7645 1.7645 1.7763 1.7763 1.9608 1.9608 1.9731 1.9731 7.4415 7.4415 7.4430 7.4430 9.3411 9.3411 9.3469 9.3469 9.9805 9.9805 k =-0.4618 0.2874 0.4924 ( 5180 PWs) bands (ev): -22.2797 -22.2797 -22.2797 -22.2797 -16.1963 -16.1963 -16.1962 -16.1962 -13.1661 -13.1661 -13.1656 -13.1656 -6.9658 -6.9658 -6.9594 -6.9594 -6.1527 -6.1527 -6.1289 -6.1289 -6.0613 -6.0613 -6.0315 -6.0315 -4.1169 -4.1169 -4.1067 -4.1067 -1.6374 -1.6374 -1.6349 -1.6349 -0.7490 -0.7490 -0.7428 -0.7428 0.9214 0.9214 0.9233 0.9233 1.7637 1.7637 1.7748 1.7748 1.9492 1.9492 1.9606 1.9606 7.4394 7.4394 7.4407 7.4407 9.3176 9.3176 9.3227 9.3227 9.9776 9.9776 k =-0.4682 0.2701 0.4924 ( 5188 PWs) bands (ev): -22.2801 -22.2801 -22.2801 -22.2801 -16.1991 -16.1991 -16.1990 -16.1990 -13.1611 -13.1611 -13.1607 -13.1607 -6.9644 -6.9644 -6.9589 -6.9589 -6.1500 -6.1500 -6.1300 -6.1300 -6.0577 -6.0577 -6.0326 -6.0326 -4.1125 -4.1125 -4.1038 -4.1038 -1.6412 -1.6412 -1.6391 -1.6391 -0.7427 -0.7427 -0.7375 -0.7375 0.9206 0.9206 0.9223 0.9223 1.7638 1.7638 1.7741 1.7741 1.9386 1.9386 1.9490 1.9490 7.4377 7.4377 7.4387 7.4387 9.2973 9.2973 9.3016 9.3016 9.9756 9.9756 k =-0.4745 0.2527 0.4924 ( 5188 PWs) bands (ev): -22.2804 -22.2804 -22.2804 -22.2804 -16.2015 -16.2015 -16.2014 -16.2014 -13.1569 -13.1569 -13.1566 -13.1566 -6.9631 -6.9631 -6.9586 -6.9586 -6.1475 -6.1475 -6.1313 -6.1313 -6.0543 -6.0543 -6.0340 -6.0340 -4.1085 -4.1085 -4.1014 -4.1014 -1.6444 -1.6444 -1.6428 -1.6428 -0.7374 -0.7374 -0.7331 -0.7331 0.9200 0.9200 0.9213 0.9213 1.7648 1.7648 1.7737 1.7737 1.9295 1.9295 1.9386 1.9386 7.4362 7.4362 7.4371 7.4371 9.2805 9.2805 9.2839 9.2839 9.9744 9.9744 k =-0.4809 0.2353 0.4924 ( 5200 PWs) bands (ev): -22.2806 -22.2806 -22.2806 -22.2806 -16.2033 -16.2033 -16.2032 -16.2032 -13.1537 -13.1537 -13.1534 -13.1534 -6.9620 -6.9620 -6.9586 -6.9586 -6.1451 -6.1451 -6.1328 -6.1328 -6.0510 -6.0510 -6.0356 -6.0356 -4.1052 -4.1052 -4.0998 -4.0998 -1.6470 -1.6470 -1.6457 -1.6457 -0.7329 -0.7329 -0.7297 -0.7297 0.9195 0.9195 0.9205 0.9205 1.7663 1.7663 1.7736 1.7736 1.9222 1.9222 1.9295 1.9295 7.4351 7.4351 7.4358 7.4358 9.2672 9.2672 9.2698 9.2698 9.9736 9.9736 k =-0.4873 0.2180 0.4924 ( 5212 PWs) bands (ev): -22.2808 -22.2808 -22.2808 -22.2808 -16.2046 -16.2046 -16.2046 -16.2046 -13.1513 -13.1513 -13.1512 -13.1512 -6.9610 -6.9610 -6.9587 -6.9587 -6.1427 -6.1427 -6.1345 -6.1345 -6.0479 -6.0479 -6.0376 -6.0376 -4.1025 -4.1025 -4.0988 -4.0988 -1.6488 -1.6488 -1.6479 -1.6479 -0.7296 -0.7296 -0.7274 -0.7274 0.9191 0.9191 0.9198 0.9198 1.7682 1.7682 1.7733 1.7733 1.9171 1.9171 1.9223 1.9223 7.4344 7.4344 7.4348 7.4348 9.2578 9.2578 9.2595 9.2595 9.9732 9.9732 k =-0.4936 0.2006 0.4924 ( 5216 PWs) bands (ev): -22.2809 -22.2809 -22.2809 -22.2809 -16.2054 -16.2054 -16.2054 -16.2054 -13.1499 -13.1499 -13.1498 -13.1498 -6.9602 -6.9602 -6.9590 -6.9590 -6.1405 -6.1405 -6.1363 -6.1363 -6.0450 -6.0450 -6.0398 -6.0398 -4.1004 -4.1004 -4.0986 -4.0986 -1.6498 -1.6498 -1.6494 -1.6494 -0.7273 -0.7273 -0.7262 -0.7262 0.9190 0.9190 0.9193 0.9193 1.7700 1.7700 1.7727 1.7727 1.9145 1.9145 1.9172 1.9172 7.4340 7.4340 7.4342 7.4342 9.2522 9.2522 9.2531 9.2531 9.9731 9.9731 k =-0.5000 0.1832 0.4924 ( 5216 PWs) bands (ev): -22.2810 -22.2810 -22.2810 -22.2810 -16.2057 -16.2057 -16.2057 -16.2057 -13.1494 -13.1494 -13.1494 -13.1494 -6.9595 -6.9595 -6.9595 -6.9595 -6.1383 -6.1383 -6.1383 -6.1383 -6.0423 -6.0423 -6.0423 -6.0423 -4.0991 -4.0991 -4.0991 -4.0991 -1.6500 -1.6500 -1.6500 -1.6500 -0.7262 -0.7262 -0.7262 -0.7262 0.9190 0.9190 0.9190 0.9190 1.7716 1.7716 1.7716 1.7716 1.9145 1.9145 1.9145 1.9145 7.4339 7.4339 7.4339 7.4339 9.2506 9.2506 9.2506 9.2506 9.9732 9.9732 k =-0.5000 0.1832 0.4924 ( 5216 PWs) bands (ev): -22.2810 -22.2810 -22.2810 -22.2810 -16.2057 -16.2057 -16.2057 -16.2057 -13.1494 -13.1494 -13.1494 -13.1494 -6.9595 -6.9595 -6.9595 -6.9595 -6.1383 -6.1383 -6.1383 -6.1383 -6.0423 -6.0423 -6.0423 -6.0423 -4.0991 -4.0991 -4.0991 -4.0991 -1.6500 -1.6500 -1.6500 -1.6500 -0.7262 -0.7262 -0.7262 -0.7262 0.9190 0.9190 0.9190 0.9190 1.7716 1.7716 1.7716 1.7716 1.9145 1.9145 1.9145 1.9145 7.4339 7.4339 7.4339 7.4339 9.2506 9.2506 9.2506 9.2506 9.9732 9.9732 k =-0.5000 0.1832 0.4735 ( 5212 PWs) bands (ev): -22.2817 -22.2817 -22.2803 -22.2803 -16.2069 -16.2069 -16.2043 -16.2043 -13.1632 -13.1632 -13.1354 -13.1354 -6.9638 -6.9638 -6.9554 -6.9554 -6.1413 -6.1413 -6.1362 -6.1362 -6.0455 -6.0455 -6.0389 -6.0389 -4.1016 -4.1016 -4.0966 -4.0966 -1.7165 -1.7165 -1.5849 -1.5849 -0.7407 -0.7407 -0.7076 -0.7076 0.9149 0.9149 0.9242 0.9242 1.7520 1.7520 1.7916 1.7916 1.9068 1.9068 1.9223 1.9223 7.3192 7.3192 7.5457 7.5457 9.2414 9.2414 9.2581 9.2581 9.9506 9.9506 k =-0.5000 0.1832 0.4545 ( 5200 PWs) bands (ev): -22.2824 -22.2824 -22.2795 -22.2795 -16.2081 -16.2081 -16.2028 -16.2028 -13.1770 -13.1770 -13.1215 -13.1215 -6.9684 -6.9684 -6.9516 -6.9516 -6.1449 -6.1449 -6.1348 -6.1348 -6.0486 -6.0486 -6.0355 -6.0355 -4.1039 -4.1039 -4.0939 -4.0939 -1.7837 -1.7837 -1.5219 -1.5219 -0.7517 -0.7517 -0.6843 -0.6843 0.9118 0.9118 0.9305 0.9305 1.7330 1.7330 1.8122 1.8122 1.8991 1.8991 1.9300 1.9300 7.2022 7.2022 7.6542 7.6542 9.2309 9.2309 9.2634 9.2634 9.9325 9.9325 k =-0.5000 0.1832 0.4356 ( 5192 PWs) bands (ev): -22.2832 -22.2832 -22.2789 -22.2789 -16.2092 -16.2092 -16.2013 -16.2013 -13.1905 -13.1905 -13.1075 -13.1075 -6.9732 -6.9732 -6.9480 -6.9480 -6.1493 -6.1493 -6.1341 -6.1341 -6.0515 -6.0515 -6.0321 -6.0321 -4.1062 -4.1062 -4.0912 -4.0912 -1.8509 -1.8509 -1.4620 -1.4620 -0.7596 -0.7596 -0.6558 -0.6558 0.9099 0.9099 0.9378 0.9378 1.7147 1.7147 1.8331 1.8331 1.8915 1.8915 1.9376 1.9376 7.0834 7.0834 7.7588 7.7588 9.2197 9.2197 9.2661 9.2661 9.9192 9.9192 k =-0.5000 0.1832 0.4166 ( 5186 PWs) bands (ev): -22.2839 -22.2839 -22.2782 -22.2782 -16.2102 -16.2102 -16.1997 -16.1997 -13.2038 -13.2038 -13.0936 -13.0936 -6.9782 -6.9782 -6.9448 -6.9448 -6.1544 -6.1544 -6.1342 -6.1342 -6.0540 -6.0540 -6.0287 -6.0287 -4.1083 -4.1083 -4.0884 -4.0884 -1.9177 -1.9177 -1.4058 -1.4058 -0.7650 -0.7650 -0.6215 -0.6215 0.9091 0.9091 0.9459 0.9459 1.6972 1.6972 1.8542 1.8542 1.8841 1.8841 1.9452 1.9452 6.9631 6.9631 7.8586 7.8586 9.2086 9.2086 9.2661 9.2661 9.9110 9.9110 k =-0.5000 0.1832 0.3977 ( 5194 PWs) bands (ev): -22.2846 -22.2846 -22.2775 -22.2775 -16.2112 -16.2112 -16.1981 -16.1981 -13.2168 -13.2168 -13.0798 -13.0798 -6.9833 -6.9833 -6.9418 -6.9418 -6.1601 -6.1601 -6.1349 -6.1349 -6.0563 -6.0563 -6.0254 -6.0254 -4.1103 -4.1103 -4.0855 -4.0855 -1.9836 -1.9836 -1.3541 -1.3541 -0.7681 -0.7681 -0.5811 -0.5811 0.9093 0.9093 0.9548 0.9548 1.6804 1.6804 1.8734 1.8734 1.8789 1.8789 1.9527 1.9527 6.8420 6.8420 7.9530 7.9530 9.1982 9.1982 9.2632 9.2632 9.9078 9.9078 k =-0.5000 0.1832 0.3788 ( 5190 PWs) bands (ev): -22.2854 -22.2854 -22.2769 -22.2769 -16.2120 -16.2120 -16.1964 -16.1964 -13.2295 -13.2295 -13.0662 -13.0662 -6.9886 -6.9886 -6.9391 -6.9391 -6.1664 -6.1664 -6.1362 -6.1362 -6.0584 -6.0584 -6.0222 -6.0222 -4.1122 -4.1122 -4.0826 -4.0826 -2.0482 -2.0482 -1.3073 -1.3073 -0.7693 -0.7693 -0.5342 -0.5342 0.9105 0.9105 0.9644 0.9644 1.6645 1.6645 1.8687 1.8687 1.8979 1.8979 1.9601 1.9601 6.7203 6.7203 8.0413 8.0413 9.1894 9.1894 9.2577 9.2577 9.9097 9.9097 k =-0.5000 0.1832 0.3598 ( 5180 PWs) bands (ev): -22.2861 -22.2861 -22.2763 -22.2763 -16.2127 -16.2127 -16.1947 -16.1947 -13.2419 -13.2419 -13.0528 -13.0528 -6.9940 -6.9940 -6.9366 -6.9366 -6.1732 -6.1732 -6.1379 -6.1379 -6.0604 -6.0604 -6.0192 -6.0192 -4.1139 -4.1139 -4.0797 -4.0797 -2.1111 -2.1111 -1.2656 -1.2656 -0.7689 -0.7689 -0.4810 -0.4810 0.9126 0.9126 0.9744 0.9744 1.6495 1.6495 1.8617 1.8617 1.9195 1.9195 1.9675 1.9675 6.5986 6.5986 8.1224 8.1224 9.1831 9.1831 9.2497 9.2497 9.9164 9.9164 k =-0.5000 0.1832 0.3409 ( 5180 PWs) bands (ev): -22.2868 -22.2868 -22.2757 -22.2757 -16.2134 -16.2134 -16.1930 -16.1930 -13.2538 -13.2538 -13.0397 -13.0397 -6.9995 -6.9995 -6.9345 -6.9345 -6.1804 -6.1804 -6.1400 -6.1400 -6.0622 -6.0622 -6.0162 -6.0162 -4.1155 -4.1155 -4.0768 -4.0768 -2.1720 -2.1720 -1.2289 -1.2289 -0.7671 -0.7671 -0.4221 -0.4221 0.9155 0.9155 0.9848 0.9848 1.6355 1.6355 1.8548 1.8548 1.9410 1.9410 1.9750 1.9750 6.4772 6.4772 8.1953 8.1953 9.1802 9.1802 9.2397 9.2397 9.9276 9.9276 k =-0.5000 0.1832 0.3220 ( 5176 PWs) bands (ev): -22.2875 -22.2875 -22.2752 -22.2752 -16.2139 -16.2139 -16.1912 -16.1912 -13.2653 -13.2653 -13.0269 -13.0269 -7.0051 -7.0051 -6.9326 -6.9326 -6.1879 -6.1879 -6.1424 -6.1424 -6.0639 -6.0639 -6.0134 -6.0134 -4.1169 -4.1169 -4.0740 -4.0740 -2.2308 -2.2308 -1.1969 -1.1969 -0.7641 -0.7641 -0.3580 -0.3580 0.9191 0.9191 0.9953 0.9953 1.6226 1.6226 1.8480 1.8480 1.9617 1.9617 1.9832 1.9832 6.3568 6.3568 8.2591 8.2591 9.1817 9.1817 9.2280 9.2280 9.9430 9.9430 k =-0.5000 0.1832 0.3030 ( 5178 PWs) bands (ev): -22.2882 -22.2882 -22.2747 -22.2747 -16.2144 -16.2144 -16.1895 -16.1895 -13.2763 -13.2763 -13.0145 -13.0145 -7.0106 -7.0106 -6.9310 -6.9310 -6.1957 -6.1957 -6.1449 -6.1449 -6.0657 -6.0657 -6.0108 -6.0108 -4.1182 -4.1182 -4.0711 -4.0711 -2.2871 -2.2871 -1.1692 -1.1692 -0.7602 -0.7602 -0.2897 -0.2897 0.9233 0.9233 1.0058 1.0058 1.6107 1.6107 1.8415 1.8415 1.9787 1.9787 1.9948 1.9948 6.2376 6.2376 8.3130 8.3130 9.1884 9.1884 9.2153 9.2153 9.9620 9.9620 k =-0.5000 0.1832 0.2841 ( 5178 PWs) bands (ev): -22.2889 -22.2889 -22.2742 -22.2742 -16.2148 -16.2148 -16.1877 -16.1877 -13.2869 -13.2869 -13.0026 -13.0026 -7.0161 -7.0161 -6.9296 -6.9296 -6.2036 -6.2036 -6.1475 -6.1475 -6.0674 -6.0674 -6.0082 -6.0082 -4.1194 -4.1194 -4.0684 -4.0684 -2.3408 -2.3408 -1.1451 -1.1451 -0.7556 -0.7556 -0.2180 -0.2180 0.9279 0.9279 1.0159 1.0159 1.6000 1.6000 1.8352 1.8352 1.9889 1.9889 2.0128 2.0128 6.1204 6.1204 8.3564 8.3564 9.1977 9.1977 9.2047 9.2047 9.9844 9.9844 k =-0.5000 0.1832 0.2651 ( 5176 PWs) bands (ev): -22.2895 -22.2895 -22.2737 -22.2737 -16.2152 -16.2152 -16.1860 -16.1860 -13.2969 -13.2969 -12.9911 -12.9911 -7.0216 -7.0216 -6.9284 -6.9284 -6.2115 -6.2115 -6.1502 -6.1502 -6.0693 -6.0693 -6.0058 -6.0058 -4.1205 -4.1205 -4.0657 -4.0657 -2.3917 -2.3917 -1.1243 -1.1243 -0.7505 -0.7505 -0.1440 -0.1440 0.9329 0.9329 1.0255 1.0255 1.5904 1.5904 1.8292 1.8292 1.9960 1.9960 2.0335 2.0335 6.0056 6.0056 8.3893 8.3893 9.1864 9.1864 9.2203 9.2203 10.0098 10.0098 k =-0.5000 0.1832 0.2462 ( 5176 PWs) bands (ev): -22.2901 -22.2901 -22.2733 -22.2733 -16.2154 -16.2154 -16.1844 -16.1844 -13.3063 -13.3063 -12.9802 -12.9802 -7.0269 -7.0269 -6.9275 -6.9275 -6.2193 -6.2193 -6.1528 -6.1528 -6.0712 -6.0712 -6.0036 -6.0036 -4.1214 -4.1214 -4.0631 -4.0631 -2.4397 -2.4397 -1.1062 -1.1062 -0.7449 -0.7449 -0.0687 -0.0687 0.9380 0.9380 1.0344 1.0344 1.5820 1.5820 1.8236 1.8236 2.0021 2.0021 2.0548 2.0548 5.8937 5.8937 8.4125 8.4125 9.1722 9.1722 9.2440 9.2440 10.0378 10.0378 k =-0.5000 0.1832 0.2273 ( 5174 PWs) bands (ev): -22.2907 -22.2907 -22.2729 -22.2729 -16.2157 -16.2157 -16.1828 -16.1828 -13.3151 -13.3151 -12.9698 -12.9698 -7.0321 -7.0321 -6.9267 -6.9267 -6.2269 -6.2269 -6.1553 -6.1553 -6.0731 -6.0731 -6.0014 -6.0014 -4.1222 -4.1222 -4.0606 -4.0606 -2.4846 -2.4846 -1.0905 -1.0905 -0.7391 -0.7391 0.0072 0.0072 0.9431 0.9431 1.0423 1.0423 1.5747 1.5747 1.8182 1.8182 2.0075 2.0075 2.0760 2.0760 5.7855 5.7855 8.4269 8.4269 9.1580 9.1580 9.2720 9.2720 10.0681 10.0681 k =-0.5000 0.1832 0.2083 ( 5170 PWs) bands (ev): -22.2913 -22.2913 -22.2725 -22.2725 -16.2158 -16.2158 -16.1812 -16.1812 -13.3234 -13.3234 -12.9602 -12.9602 -7.0370 -7.0370 -6.9261 -6.9261 -6.2343 -6.2343 -6.1578 -6.1578 -6.0751 -6.0751 -5.9995 -5.9995 -4.1230 -4.1230 -4.0582 -4.0582 -2.5264 -2.5264 -1.0768 -1.0768 -0.7333 -0.7333 0.0825 0.0825 0.9482 0.9482 1.0489 1.0489 1.5685 1.5685 1.8132 1.8132 2.0125 2.0125 2.0969 2.0969 5.6816 5.6816 8.4340 8.4340 9.1442 9.1442 9.3031 9.3031 10.1004 10.1004 k =-0.5000 0.1832 0.1894 ( 5170 PWs) bands (ev): -22.2918 -22.2918 -22.2721 -22.2721 -16.2160 -16.2160 -16.1798 -16.1798 -13.3309 -13.3309 -12.9511 -12.9511 -7.0417 -7.0417 -6.9256 -6.9256 -6.2413 -6.2413 -6.1601 -6.1601 -6.0770 -6.0770 -5.9976 -5.9976 -4.1236 -4.1236 -4.0560 -4.0560 -2.5648 -2.5648 -1.0649 -1.0649 -0.7275 -0.7275 0.1566 0.1566 0.9531 0.9531 1.0541 1.0541 1.5633 1.5633 1.8086 1.8086 2.0171 2.0171 2.1172 2.1172 5.5827 5.5827 8.4354 8.4354 9.1309 9.1309 9.3358 9.3358 10.1342 10.1342 k =-0.5000 0.1832 0.1704 ( 5172 PWs) bands (ev): -22.2922 -22.2922 -22.2718 -22.2718 -16.2161 -16.2161 -16.1784 -16.1784 -13.3379 -13.3379 -12.9429 -12.9429 -7.0462 -7.0462 -6.9253 -6.9253 -6.2479 -6.2479 -6.1623 -6.1623 -6.0789 -6.0789 -5.9959 -5.9959 -4.1241 -4.1241 -4.0539 -4.0539 -2.5999 -2.5999 -1.0545 -1.0545 -0.7219 -0.7219 0.2285 0.2285 0.9577 0.9577 1.0577 1.0577 1.5592 1.5592 1.8044 1.8044 2.0212 2.0212 2.1369 2.1369 5.4895 5.4895 8.4326 8.4326 9.1185 9.1185 9.3687 9.3687 10.1693 10.1693 k =-0.5000 0.1832 0.1515 ( 5188 PWs) bands (ev): -22.2927 -22.2927 -22.2716 -22.2716 -16.2161 -16.2161 -16.1772 -16.1772 -13.3441 -13.3441 -12.9353 -12.9353 -7.0502 -7.0502 -6.9251 -6.9251 -6.2540 -6.2540 -6.1642 -6.1642 -6.0808 -6.0808 -5.9944 -5.9944 -4.1246 -4.1246 -4.0520 -4.0520 -2.6315 -2.6315 -1.0455 -1.0455 -0.7166 -0.7166 0.2973 0.2973 0.9619 0.9619 1.0594 1.0594 1.5559 1.5559 1.8006 1.8006 2.0250 2.0250 2.1557 2.1557 5.4029 5.4029 8.4269 8.4269 9.1070 9.1070 9.4006 9.4006 10.2052 10.2052 k =-0.5000 0.1832 0.1326 ( 5186 PWs) bands (ev): -22.2931 -22.2931 -22.2713 -22.2713 -16.2162 -16.2162 -16.1760 -16.1760 -13.3497 -13.3497 -12.9286 -12.9286 -7.0540 -7.0540 -6.9250 -6.9250 -6.2595 -6.2595 -6.1660 -6.1660 -6.0825 -6.0825 -5.9930 -5.9930 -4.1250 -4.1250 -4.0504 -4.0504 -2.6595 -2.6595 -1.0378 -1.0378 -0.7116 -0.7116 0.3623 0.3623 0.9657 0.9657 1.0594 1.0594 1.5534 1.5534 1.7971 1.7971 2.0283 2.0283 2.1732 2.1732 5.3237 5.3237 8.4195 8.4195 9.0965 9.0965 9.4307 9.4307 10.2413 10.2413 k =-0.5000 0.1832 0.1136 ( 5178 PWs) bands (ev): -22.2934 -22.2934 -22.2711 -22.2711 -16.2162 -16.2162 -16.1750 -16.1750 -13.3545 -13.3545 -12.9227 -12.9227 -7.0572 -7.0572 -6.9249 -6.9249 -6.2644 -6.2644 -6.1676 -6.1676 -6.0841 -6.0841 -5.9918 -5.9918 -4.1253 -4.1253 -4.0488 -4.0488 -2.6840 -2.6840 -1.0312 -1.0312 -0.7072 -0.7072 0.4224 0.4224 0.9691 0.9691 1.0576 1.0576 1.5516 1.5516 1.7942 1.7942 2.0312 2.0312 2.1894 2.1894 5.2527 5.2527 8.4114 8.4114 9.0873 9.0873 9.4580 9.4580 10.2768 10.2768 k =-0.5000 0.1832 0.0947 ( 5164 PWs) bands (ev): -22.2937 -22.2937 -22.2709 -22.2709 -16.2162 -16.2162 -16.1742 -16.1742 -13.3586 -13.3586 -12.9177 -12.9177 -7.0601 -7.0601 -6.9249 -6.9249 -6.2686 -6.2686 -6.1689 -6.1689 -6.0855 -6.0855 -5.9908 -5.9908 -4.1256 -4.1256 -4.0475 -4.0475 -2.7047 -2.7047 -1.0258 -1.0258 -0.7033 -0.7033 0.4767 0.4767 0.9719 0.9719 1.0543 1.0543 1.5503 1.5503 1.7916 1.7916 2.0337 2.0337 2.2038 2.2038 5.1908 5.1908 8.4033 8.4033 9.0793 9.0793 9.4819 9.4819 10.3110 10.3110 k =-0.5000 0.1832 0.0758 ( 5172 PWs) bands (ev): -22.2939 -22.2939 -22.2708 -22.2708 -16.2162 -16.2162 -16.1735 -16.1735 -13.3620 -13.3620 -12.9135 -12.9135 -7.0625 -7.0625 -6.9249 -6.9249 -6.2721 -6.2721 -6.1700 -6.1700 -6.0866 -6.0866 -5.9899 -5.9899 -4.1258 -4.1258 -4.0465 -4.0465 -2.7218 -2.7218 -1.0214 -1.0214 -0.7000 -0.7000 0.5240 0.5240 0.9742 0.9742 1.0497 1.0497 1.5495 1.5495 1.7895 1.7895 2.0357 2.0357 2.2161 2.2161 5.1388 5.1388 8.3959 8.3959 9.0726 9.0726 9.5021 9.5021 10.3425 10.3425 k =-0.5000 0.1832 0.0568 ( 5168 PWs) bands (ev): -22.2941 -22.2941 -22.2707 -22.2707 -16.2162 -16.2162 -16.1729 -16.1729 -13.3647 -13.3647 -12.9102 -12.9102 -7.0643 -7.0643 -6.9249 -6.9249 -6.2748 -6.2748 -6.1709 -6.1709 -6.0876 -6.0876 -5.9893 -5.9893 -4.1259 -4.1259 -4.0456 -4.0456 -2.7351 -2.7351 -1.0180 -1.0180 -0.6974 -0.6974 0.5631 0.5631 0.9759 0.9759 1.0446 1.0446 1.5489 1.5489 1.7879 1.7879 2.0373 2.0373 2.2261 2.2261 5.0975 5.0975 8.3897 8.3897 9.0674 9.0674 9.5181 9.5181 10.3698 10.3698 k =-0.5000 0.1832 0.0379 ( 5158 PWs) bands (ev): -22.2942 -22.2942 -22.2706 -22.2706 -16.2162 -16.2162 -16.1725 -16.1725 -13.3665 -13.3665 -12.9079 -12.9079 -7.0657 -7.0657 -6.9250 -6.9250 -6.2768 -6.2768 -6.1715 -6.1715 -6.0883 -6.0883 -5.9888 -5.9888 -4.1260 -4.1260 -4.0450 -4.0450 -2.7446 -2.7446 -1.0156 -1.0156 -0.6955 -0.6955 0.5924 0.5924 0.9772 0.9772 1.0399 1.0399 1.5486 1.5486 1.7867 1.7867 2.0384 2.0384 2.2335 2.2335 5.0675 5.0675 8.3850 8.3850 9.0636 9.0636 9.5298 9.5298 10.3914 10.3914 k =-0.5000 0.1832 0.0189 ( 5168 PWs) bands (ev): -22.2943 -22.2943 -22.2705 -22.2705 -16.2162 -16.2162 -16.1722 -16.1722 -13.3677 -13.3677 -12.9065 -12.9065 -7.0665 -7.0665 -6.9250 -6.9250 -6.2780 -6.2780 -6.1719 -6.1719 -6.0887 -6.0887 -5.9885 -5.9885 -4.1261 -4.1261 -4.0447 -4.0447 -2.7503 -2.7503 -1.0141 -1.0141 -0.6944 -0.6944 0.6108 0.6108 0.9779 0.9779 1.0365 1.0365 1.5485 1.5485 1.7860 1.7860 2.0391 2.0391 2.2380 2.2380 5.0493 5.0493 8.3820 8.3820 9.0613 9.0613 9.5368 9.5368 10.4052 10.4052 k =-0.5000 0.1832 0.0000 ( 5168 PWs) bands (ev): -22.2943 -22.2943 -22.2705 -22.2705 -16.2162 -16.2162 -16.1722 -16.1722 -13.3681 -13.3681 -12.9060 -12.9060 -7.0668 -7.0668 -6.9250 -6.9250 -6.2784 -6.2784 -6.1720 -6.1720 -6.0888 -6.0888 -5.9884 -5.9884 -4.1261 -4.1261 -4.0445 -4.0445 -2.7522 -2.7522 -1.0137 -1.0137 -0.6940 -0.6940 0.6170 0.6170 0.9781 0.9781 1.0353 1.0353 1.5485 1.5485 1.7858 1.7858 2.0393 2.0393 2.2395 2.2395 5.0432 5.0432 8.3810 8.3810 9.0606 9.0606 9.5391 9.5391 10.4100 10.4100 k = 0.0000 0.0000 0.4924 ( 5174 PWs) bands (ev): -22.2834 -22.2834 -22.2834 -22.2834 -16.1881 -16.1881 -16.1881 -16.1881 -13.1559 -13.1559 -13.1559 -13.1559 -6.9748 -6.9748 -6.9748 -6.9748 -6.1648 -6.1648 -6.1648 -6.1648 -6.0303 -6.0303 -6.0303 -6.0303 -4.1972 -4.1972 -4.1972 -4.1972 -1.7024 -1.7024 -1.7024 -1.7024 -0.6244 -0.6244 -0.6244 -0.6244 0.9674 0.9674 0.9674 0.9674 1.8807 1.8807 1.8807 1.8807 2.0216 2.0216 2.0216 2.0216 7.1488 7.1488 7.1488 7.1488 9.2688 9.2688 9.2688 9.2688 10.4775 10.4775 k =-0.0179 0.0065 0.4924 ( 5170 PWs) bands (ev): -22.2834 -22.2834 -22.2834 -22.2834 -16.1882 -16.1882 -16.1882 -16.1882 -13.1559 -13.1559 -13.1559 -13.1559 -6.9750 -6.9750 -6.9744 -6.9744 -6.1652 -6.1652 -6.1641 -6.1641 -6.0305 -6.0305 -6.0303 -6.0303 -4.1969 -4.1969 -4.1969 -4.1969 -1.7023 -1.7023 -1.7022 -1.7022 -0.6248 -0.6248 -0.6245 -0.6245 0.9671 0.9671 0.9674 0.9674 1.8802 1.8802 1.8804 1.8804 2.0213 2.0213 2.0213 2.0213 7.1496 7.1496 7.1499 7.1499 9.2684 9.2684 9.2685 9.2685 10.4762 10.4762 k =-0.0357 0.0131 0.4924 ( 5170 PWs) bands (ev): -22.2834 -22.2834 -22.2834 -22.2834 -16.1884 -16.1884 -16.1883 -16.1883 -13.1558 -13.1558 -13.1558 -13.1558 -6.9752 -6.9752 -6.9739 -6.9739 -6.1654 -6.1654 -6.1632 -6.1632 -6.0309 -6.0309 -6.0304 -6.0304 -4.1960 -4.1960 -4.1960 -4.1960 -1.7019 -1.7019 -1.7016 -1.7016 -0.6258 -0.6258 -0.6253 -0.6253 0.9665 0.9665 0.9672 0.9672 1.8790 1.8790 1.8793 1.8793 2.0203 2.0203 2.0203 2.0203 7.1523 7.1523 7.1531 7.1531 9.2674 9.2674 9.2677 9.2677 10.4722 10.4722 k =-0.0536 0.0196 0.4924 ( 5166 PWs) bands (ev): -22.2833 -22.2833 -22.2833 -22.2833 -16.1886 -16.1886 -16.1886 -16.1886 -13.1557 -13.1557 -13.1557 -13.1557 -6.9753 -6.9753 -6.9733 -6.9733 -6.1654 -6.1654 -6.1622 -6.1622 -6.0313 -6.0313 -6.0307 -6.0307 -4.1944 -4.1944 -4.1944 -4.1944 -1.7012 -1.7012 -1.7008 -1.7008 -0.6273 -0.6273 -0.6267 -0.6267 0.9657 0.9657 0.9666 0.9666 1.8769 1.8769 1.8774 1.8774 2.0186 2.0186 2.0186 2.0186 7.1570 7.1570 7.1581 7.1581 9.2658 9.2658 9.2663 9.2663 10.4657 10.4657 k =-0.0714 0.0262 0.4924 ( 5166 PWs) bands (ev): -22.2833 -22.2833 -22.2833 -22.2833 -16.1890 -16.1890 -16.1890 -16.1890 -13.1556 -13.1556 -13.1556 -13.1556 -6.9752 -6.9752 -6.9726 -6.9726 -6.1652 -6.1652 -6.1610 -6.1610 -6.0320 -6.0320 -6.0311 -6.0311 -4.1923 -4.1923 -4.1923 -4.1923 -1.7002 -1.7002 -1.6996 -1.6996 -0.6295 -0.6295 -0.6286 -0.6286 0.9646 0.9646 0.9658 0.9658 1.8742 1.8742 1.8748 1.8748 2.0163 2.0163 2.0163 2.0163 7.1635 7.1635 7.1650 7.1650 9.2638 9.2638 9.2645 9.2645 10.4563 10.4563 k =-0.0893 0.0327 0.4924 ( 5160 PWs) bands (ev): -22.2832 -22.2832 -22.2832 -22.2832 -16.1895 -16.1895 -16.1895 -16.1895 -13.1554 -13.1554 -13.1554 -13.1554 -6.9751 -6.9751 -6.9719 -6.9719 -6.1647 -6.1647 -6.1596 -6.1596 -6.0327 -6.0327 -6.0316 -6.0316 -4.1896 -4.1896 -4.1896 -4.1896 -1.6989 -1.6989 -1.6982 -1.6982 -0.6322 -0.6322 -0.6311 -0.6311 0.9632 0.9632 0.9647 0.9647 1.8707 1.8707 1.8714 1.8714 2.0134 2.0134 2.0134 2.0134 7.1718 7.1718 7.1737 7.1737 9.2614 9.2614 9.2622 9.2622 10.4441 10.4441 k =-0.1071 0.0393 0.4924 ( 5168 PWs) bands (ev): -22.2831 -22.2831 -22.2831 -22.2831 -16.1900 -16.1900 -16.1900 -16.1900 -13.1552 -13.1552 -13.1552 -13.1552 -6.9748 -6.9748 -6.9711 -6.9711 -6.1641 -6.1641 -6.1581 -6.1581 -6.0335 -6.0335 -6.0323 -6.0323 -4.1864 -4.1864 -4.1864 -4.1864 -1.6974 -1.6974 -1.6965 -1.6965 -0.6354 -0.6354 -0.6341 -0.6341 0.9616 0.9616 0.9634 0.9634 1.8667 1.8667 1.8675 1.8675 2.0100 2.0100 2.0100 2.0100 7.1817 7.1817 7.1839 7.1839 9.2587 9.2587 9.2596 9.2596 10.4290 10.4290 k =-0.1250 0.0458 0.4924 ( 5174 PWs) bands (ev): -22.2830 -22.2830 -22.2830 -22.2830 -16.1907 -16.1907 -16.1907 -16.1907 -13.1549 -13.1549 -13.1549 -13.1549 -6.9744 -6.9744 -6.9702 -6.9702 -6.1632 -6.1632 -6.1564 -6.1564 -6.0344 -6.0344 -6.0330 -6.0330 -4.1827 -4.1827 -4.1827 -4.1827 -1.6956 -1.6956 -1.6946 -1.6946 -0.6391 -0.6391 -0.6376 -0.6376 0.9597 0.9597 0.9618 0.9618 1.8620 1.8620 1.8629 1.8629 2.0059 2.0059 2.0060 2.0060 7.1931 7.1931 7.1955 7.1955 9.2558 9.2558 9.2569 9.2569 10.4109 10.4109 k =-0.1429 0.0523 0.4924 ( 5184 PWs) bands (ev): -22.2829 -22.2829 -22.2829 -22.2829 -16.1915 -16.1915 -16.1914 -16.1914 -13.1547 -13.1547 -13.1546 -13.1546 -6.9740 -6.9740 -6.9693 -6.9693 -6.1622 -6.1622 -6.1547 -6.1547 -6.0354 -6.0354 -6.0339 -6.0339 -4.1786 -4.1786 -4.1786 -4.1786 -1.6935 -1.6935 -1.6924 -1.6924 -0.6432 -0.6432 -0.6416 -0.6416 0.9577 0.9577 0.9600 0.9600 1.8569 1.8569 1.8579 1.8579 2.0015 2.0015 2.0015 2.0015 7.2058 7.2058 7.2084 7.2084 9.2529 9.2529 9.2542 9.2542 10.3900 10.3900 k =-0.1607 0.0589 0.4924 ( 5184 PWs) bands (ev): -22.2828 -22.2828 -22.2828 -22.2828 -16.1923 -16.1923 -16.1922 -16.1922 -13.1544 -13.1544 -13.1543 -13.1543 -6.9734 -6.9734 -6.9684 -6.9684 -6.1610 -6.1610 -6.1530 -6.1530 -6.0363 -6.0363 -6.0348 -6.0348 -4.1741 -4.1741 -4.1741 -4.1741 -1.6912 -1.6912 -1.6900 -1.6900 -0.6477 -0.6477 -0.6459 -0.6459 0.9555 0.9555 0.9580 0.9580 1.8515 1.8515 1.8525 1.8525 1.9966 1.9966 1.9966 1.9966 7.2196 7.2196 7.2224 7.2224 9.2502 9.2502 9.2515 9.2515 10.3666 10.3666 k =-0.1786 0.0654 0.4924 ( 5188 PWs) bands (ev): -22.2827 -22.2827 -22.2827 -22.2827 -16.1931 -16.1931 -16.1931 -16.1931 -13.1541 -13.1541 -13.1540 -13.1540 -6.9728 -6.9728 -6.9674 -6.9674 -6.1597 -6.1597 -6.1512 -6.1512 -6.0373 -6.0373 -6.0357 -6.0357 -4.1693 -4.1693 -4.1693 -4.1693 -1.6888 -1.6888 -1.6875 -1.6875 -0.6526 -0.6526 -0.6507 -0.6507 0.9531 0.9531 0.9558 0.9558 1.8457 1.8457 1.8467 1.8467 1.9913 1.9913 1.9913 1.9913 7.2342 7.2342 7.2372 7.2372 9.2476 9.2476 9.2490 9.2490 10.3409 10.3409 k =-0.1964 0.0720 0.4924 ( 5182 PWs) bands (ev): -22.2826 -22.2826 -22.2826 -22.2826 -16.1940 -16.1940 -16.1940 -16.1940 -13.1537 -13.1537 -13.1537 -13.1537 -6.9721 -6.9721 -6.9665 -6.9665 -6.1583 -6.1583 -6.1494 -6.1494 -6.0383 -6.0383 -6.0366 -6.0366 -4.1642 -4.1642 -4.1642 -4.1642 -1.6862 -1.6862 -1.6848 -1.6848 -0.6578 -0.6578 -0.6557 -0.6557 0.9506 0.9506 0.9534 0.9534 1.8397 1.8397 1.8407 1.8407 1.9858 1.9858 1.9858 1.9858 7.2496 7.2496 7.2527 7.2527 9.2453 9.2453 9.2467 9.2467 10.3135 10.3135 k =-0.2143 0.0785 0.4924 ( 5186 PWs) bands (ev): -22.2825 -22.2825 -22.2825 -22.2825 -16.1950 -16.1950 -16.1949 -16.1949 -13.1534 -13.1534 -13.1533 -13.1533 -6.9713 -6.9713 -6.9655 -6.9655 -6.1568 -6.1568 -6.1477 -6.1477 -6.0391 -6.0391 -6.0376 -6.0376 -4.1589 -4.1589 -4.1589 -4.1589 -1.6834 -1.6834 -1.6820 -1.6820 -0.6632 -0.6632 -0.6610 -0.6610 0.9480 0.9480 0.9509 0.9509 1.8335 1.8335 1.8346 1.8346 1.9800 1.9800 1.9800 1.9800 7.2655 7.2655 7.2687 7.2687 9.2433 9.2433 9.2449 9.2449 10.2847 10.2847 k =-0.2321 0.0851 0.4924 ( 5186 PWs) bands (ev): -22.2823 -22.2823 -22.2823 -22.2823 -16.1959 -16.1959 -16.1959 -16.1959 -13.1530 -13.1530 -13.1530 -13.1530 -6.9705 -6.9705 -6.9646 -6.9646 -6.1552 -6.1552 -6.1461 -6.1461 -6.0400 -6.0400 -6.0384 -6.0384 -4.1534 -4.1534 -4.1534 -4.1534 -1.6806 -1.6806 -1.6791 -1.6791 -0.6688 -0.6688 -0.6666 -0.6666 0.9453 0.9453 0.9483 0.9483 1.8273 1.8273 1.8284 1.8284 1.9741 1.9741 1.9741 1.9741 7.2816 7.2816 7.2848 7.2848 9.2418 9.2418 9.2434 9.2434 10.2551 10.2551 k =-0.2500 0.0916 0.4924 ( 5182 PWs) bands (ev): -22.2822 -22.2822 -22.2822 -22.2822 -16.1969 -16.1969 -16.1969 -16.1969 -13.1526 -13.1526 -13.1526 -13.1526 -6.9697 -6.9697 -6.9637 -6.9637 -6.1536 -6.1536 -6.1445 -6.1445 -6.0407 -6.0407 -6.0393 -6.0393 -4.1479 -4.1479 -4.1479 -4.1479 -1.6776 -1.6776 -1.6761 -1.6761 -0.6745 -0.6745 -0.6722 -0.6722 0.9426 0.9426 0.9456 0.9456 1.8212 1.8212 1.8222 1.8222 1.9681 1.9681 1.9681 1.9681 7.2978 7.2978 7.3010 7.3010 9.2408 9.2408 9.2424 9.2424 10.2252 10.2252 k =-0.2679 0.0981 0.4924 ( 5174 PWs) bands (ev): -22.2820 -22.2820 -22.2820 -22.2820 -16.1979 -16.1979 -16.1979 -16.1979 -13.1523 -13.1523 -13.1522 -13.1522 -6.9688 -6.9688 -6.9629 -6.9629 -6.1520 -6.1520 -6.1431 -6.1431 -6.0413 -6.0413 -6.0400 -6.0400 -4.1424 -4.1424 -4.1424 -4.1424 -1.6747 -1.6747 -1.6732 -1.6732 -0.6802 -0.6802 -0.6779 -0.6779 0.9399 0.9399 0.9429 0.9429 1.8152 1.8152 1.8162 1.8162 1.9621 1.9621 1.9621 1.9621 7.3137 7.3137 7.3169 7.3169 9.2402 9.2402 9.2418 9.2418 10.1954 10.1954 k =-0.2857 0.1047 0.4924 ( 5178 PWs) bands (ev): -22.2819 -22.2819 -22.2819 -22.2819 -16.1989 -16.1989 -16.1988 -16.1988 -13.1519 -13.1519 -13.1519 -13.1519 -6.9679 -6.9679 -6.9621 -6.9621 -6.1504 -6.1504 -6.1419 -6.1419 -6.0418 -6.0418 -6.0407 -6.0407 -4.1370 -4.1370 -4.1370 -4.1370 -1.6718 -1.6718 -1.6703 -1.6703 -0.6859 -0.6859 -0.6836 -0.6836 0.9372 0.9372 0.9401 0.9401 1.8094 1.8094 1.8103 1.8103 1.9562 1.9562 1.9562 1.9562 7.3293 7.3293 7.3324 7.3324 9.2401 9.2401 9.2417 9.2417 10.1662 10.1662 k =-0.3036 0.1112 0.4924 ( 5176 PWs) bands (ev): -22.2818 -22.2818 -22.2818 -22.2818 -16.1998 -16.1998 -16.1998 -16.1998 -13.1516 -13.1516 -13.1515 -13.1515 -6.9670 -6.9670 -6.9614 -6.9614 -6.1489 -6.1489 -6.1407 -6.1407 -6.0422 -6.0422 -6.0412 -6.0412 -4.1318 -4.1318 -4.1318 -4.1318 -1.6689 -1.6689 -1.6674 -1.6674 -0.6914 -0.6914 -0.6892 -0.6892 0.9346 0.9346 0.9374 0.9374 1.8038 1.8038 1.8046 1.8046 1.9504 1.9504 1.9504 1.9504 7.3443 7.3443 7.3472 7.3472 9.2404 9.2404 9.2419 9.2419 10.1381 10.1381 k =-0.3214 0.1178 0.4924 ( 5184 PWs) bands (ev): -22.2817 -22.2817 -22.2817 -22.2817 -16.2007 -16.2007 -16.2007 -16.2007 -13.1512 -13.1512 -13.1512 -13.1512 -6.9661 -6.9661 -6.9608 -6.9608 -6.1474 -6.1474 -6.1398 -6.1398 -6.0425 -6.0425 -6.0417 -6.0417 -4.1267 -4.1267 -4.1267 -4.1267 -1.6661 -1.6661 -1.6647 -1.6647 -0.6968 -0.6968 -0.6947 -0.6947 0.9320 0.9320 0.9348 0.9348 1.7985 1.7985 1.7993 1.7993 1.9449 1.9449 1.9449 1.9449 7.3586 7.3586 7.3613 7.3613 9.2411 9.2411 9.2425 9.2425 10.1113 10.1113 k =-0.3393 0.1243 0.4924 ( 5174 PWs) bands (ev): -22.2815 -22.2815 -22.2815 -22.2815 -16.2016 -16.2016 -16.2015 -16.2015 -13.1509 -13.1509 -13.1509 -13.1509 -6.9653 -6.9653 -6.9603 -6.9603 -6.1461 -6.1461 -6.1390 -6.1390 -6.0426 -6.0426 -6.0420 -6.0420 -4.1219 -4.1219 -4.1219 -4.1219 -1.6634 -1.6634 -1.6621 -1.6621 -0.7019 -0.7019 -0.6999 -0.6999 0.9297 0.9297 0.9322 0.9322 1.7936 1.7936 1.7943 1.7943 1.9396 1.9396 1.9396 1.9396 7.3720 7.3720 7.3745 7.3745 9.2420 9.2420 9.2434 9.2434 10.0864 10.0864 k =-0.3571 0.1309 0.4924 ( 5182 PWs) bands (ev): -22.2814 -22.2814 -22.2814 -22.2814 -16.2024 -16.2024 -16.2023 -16.2023 -13.1506 -13.1506 -13.1506 -13.1506 -6.9644 -6.9644 -6.9598 -6.9598 -6.1448 -6.1448 -6.1384 -6.1384 -6.0427 -6.0427 -6.0422 -6.0422 -4.1175 -4.1175 -4.1174 -4.1174 -1.6609 -1.6609 -1.6597 -1.6597 -0.7067 -0.7067 -0.7048 -0.7048 0.9275 0.9275 0.9298 0.9298 1.7891 1.7891 1.7898 1.7898 1.9347 1.9347 1.9347 1.9347 7.3843 7.3843 7.3866 7.3866 9.2432 9.2432 9.2444 9.2444 10.0634 10.0634 k =-0.3750 0.1374 0.4924 ( 5176 PWs) bands (ev): -22.2813 -22.2813 -22.2813 -22.2813 -16.2031 -16.2031 -16.2031 -16.2031 -13.1503 -13.1503 -13.1503 -13.1503 -6.9636 -6.9636 -6.9594 -6.9594 -6.1436 -6.1436 -6.1379 -6.1379 -6.0427 -6.0427 -6.0424 -6.0424 -4.1134 -4.1134 -4.1134 -4.1134 -1.6586 -1.6586 -1.6574 -1.6574 -0.7111 -0.7111 -0.7094 -0.7094 0.9255 0.9255 0.9276 0.9276 1.7851 1.7851 1.7857 1.7857 1.9302 1.9302 1.9302 1.9302 7.3954 7.3954 7.3975 7.3975 9.2444 9.2444 9.2456 9.2456 10.0428 10.0428 k =-0.3929 0.1439 0.4924 ( 5174 PWs) bands (ev): -22.2812 -22.2812 -22.2812 -22.2812 -16.2037 -16.2037 -16.2037 -16.2037 -13.1501 -13.1501 -13.1501 -13.1501 -6.9628 -6.9628 -6.9592 -6.9592 -6.1425 -6.1425 -6.1376 -6.1376 -6.0427 -6.0427 -6.0425 -6.0425 -4.1097 -4.1097 -4.1097 -4.1097 -1.6565 -1.6565 -1.6555 -1.6555 -0.7150 -0.7150 -0.7135 -0.7135 0.9237 0.9237 0.9256 0.9256 1.7815 1.7815 1.7820 1.7820 1.9262 1.9262 1.9262 1.9262 7.4053 7.4053 7.4071 7.4071 9.2457 9.2457 9.2468 9.2468 10.0246 10.0246 k =-0.4107 0.1505 0.4924 ( 5178 PWs) bands (ev): -22.2811 -22.2811 -22.2811 -22.2811 -16.2043 -16.2043 -16.2043 -16.2043 -13.1499 -13.1499 -13.1499 -13.1499 -6.9621 -6.9621 -6.9590 -6.9590 -6.1416 -6.1416 -6.1375 -6.1375 -6.0426 -6.0426 -6.0425 -6.0425 -4.1066 -4.1066 -4.1066 -4.1066 -1.6546 -1.6546 -1.6538 -1.6538 -0.7184 -0.7184 -0.7171 -0.7171 0.9222 0.9222 0.9238 0.9238 1.7785 1.7785 1.7789 1.7789 1.9228 1.9228 1.9228 1.9228 7.4138 7.4138 7.4153 7.4153 9.2470 9.2470 9.2479 9.2479 10.0090 10.0090 k =-0.4286 0.1570 0.4924 ( 5190 PWs) bands (ev): -22.2811 -22.2811 -22.2811 -22.2811 -16.2048 -16.2048 -16.2048 -16.2048 -13.1497 -13.1497 -13.1497 -13.1497 -6.9614 -6.9614 -6.9589 -6.9589 -6.1407 -6.1407 -6.1374 -6.1374 -6.0425 -6.0425 -6.0425 -6.0425 -4.1039 -4.1039 -4.1039 -4.1039 -1.6531 -1.6531 -1.6523 -1.6523 -0.7213 -0.7213 -0.7202 -0.7202 0.9209 0.9209 0.9222 0.9222 1.7760 1.7760 1.7763 1.7763 1.9198 1.9198 1.9199 1.9199 7.4208 7.4208 7.4221 7.4221 9.2482 9.2482 9.2489 9.2489 9.9962 9.9962 k =-0.4464 0.1636 0.4924 ( 5188 PWs) bands (ev): -22.2810 -22.2810 -22.2810 -22.2810 -16.2052 -16.2052 -16.2051 -16.2051 -13.1496 -13.1496 -13.1496 -13.1496 -6.9608 -6.9608 -6.9589 -6.9589 -6.1400 -6.1400 -6.1375 -6.1375 -6.0424 -6.0424 -6.0424 -6.0424 -4.1018 -4.1018 -4.1018 -4.1018 -1.6518 -1.6518 -1.6512 -1.6512 -0.7235 -0.7235 -0.7227 -0.7227 0.9200 0.9200 0.9210 0.9210 1.7740 1.7740 1.7743 1.7743 1.9176 1.9176 1.9176 1.9176 7.4264 7.4264 7.4274 7.4274 9.2491 9.2491 9.2497 9.2497 9.9861 9.9861 k =-0.4643 0.1701 0.4924 ( 5200 PWs) bands (ev): -22.2810 -22.2810 -22.2810 -22.2810 -16.2054 -16.2054 -16.2054 -16.2054 -13.1495 -13.1495 -13.1495 -13.1495 -6.9603 -6.9603 -6.9590 -6.9590 -6.1393 -6.1393 -6.1377 -6.1377 -6.0424 -6.0424 -6.0423 -6.0423 -4.1003 -4.1003 -4.1003 -4.1003 -1.6508 -1.6508 -1.6505 -1.6505 -0.7251 -0.7251 -0.7245 -0.7245 0.9193 0.9193 0.9200 0.9200 1.7726 1.7726 1.7728 1.7728 1.9159 1.9159 1.9159 1.9159 7.4305 7.4305 7.4311 7.4311 9.2499 9.2499 9.2503 9.2503 9.9789 9.9789 k =-0.4821 0.1767 0.4924 ( 5206 PWs) bands (ev): -22.2810 -22.2810 -22.2810 -22.2810 -16.2056 -16.2056 -16.2056 -16.2056 -13.1494 -13.1494 -13.1494 -13.1494 -6.9599 -6.9599 -6.9592 -6.9592 -6.1388 -6.1388 -6.1380 -6.1380 -6.0423 -6.0423 -6.0423 -6.0423 -4.0994 -4.0994 -4.0994 -4.0994 -1.6502 -1.6502 -1.6500 -1.6500 -0.7260 -0.7260 -0.7257 -0.7257 0.9190 0.9190 0.9194 0.9194 1.7718 1.7718 1.7719 1.7719 1.9149 1.9149 1.9149 1.9149 7.4330 7.4330 7.4333 7.4333 9.2504 9.2504 9.2506 9.2506 9.9746 9.9746 k =-0.5000 0.1832 0.4924 ( 5216 PWs) bands (ev): -22.2810 -22.2810 -22.2810 -22.2810 -16.2057 -16.2057 -16.2057 -16.2057 -13.1494 -13.1494 -13.1494 -13.1494 -6.9595 -6.9595 -6.9595 -6.9595 -6.1383 -6.1383 -6.1383 -6.1383 -6.0423 -6.0423 -6.0423 -6.0423 -4.0991 -4.0991 -4.0991 -4.0991 -1.6500 -1.6500 -1.6500 -1.6500 -0.7262 -0.7262 -0.7262 -0.7262 0.9190 0.9190 0.9190 0.9190 1.7716 1.7716 1.7716 1.7716 1.9145 1.9145 1.9145 1.9145 7.4339 7.4339 7.4339 7.4339 9.2506 9.2506 9.2506 9.2506 9.9732 9.9732 Writing output data file RbH3O2.save init_run : 1.02s CPU 0.61s WALL ( 1 calls) electrons : 430.89s CPU 303.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.13s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 430.87s CPU 303.63s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.25s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.55s CPU 0.64s WALL ( 358 calls) cegterg : 377.36s CPU 272.28s WALL ( 553 calls) Called by sum_band: Called by *egterg: h_psi : 266.41s CPU 163.82s WALL ( 8345 calls) s_psi : 10.06s CPU 6.78s WALL ( 8345 calls) g_psi : 0.44s CPU 0.35s WALL ( 7434 calls) cdiaghg : 106.22s CPU 93.70s WALL ( 7792 calls) cegterg:over : 14.57s CPU 11.65s WALL ( 7434 calls) cegterg:upda : 13.57s CPU 11.06s WALL ( 7434 calls) cegterg:last : 5.43s CPU 4.84s WALL ( 1359 calls) cdiaghg:chol : 5.90s CPU 5.35s WALL ( 7792 calls) cdiaghg:inve : 4.28s CPU 3.77s WALL ( 7792 calls) cdiaghg:para : 6.20s CPU 6.20s WALL ( 15584 calls) Called by h_psi: h_psi:vloc : 240.96s CPU 145.80s WALL ( 8345 calls) h_psi:vnl : 24.87s CPU 17.61s WALL ( 8345 calls) add_vuspsi : 13.30s CPU 9.02s WALL ( 8345 calls) General routines calbec : 11.54s CPU 8.56s WALL ( 8345 calls) fft : 0.07s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 226.39s CPU 135.16s WALL ( 1018132 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 1.45s WALL ( 716 calls) Parallel routines fft_scatter : 72.42s CPU 50.42s WALL ( 1018155 calls) PWSCF : 7m33.66s CPU 5m42.79s WALL This run was terminated on: 4: 9: 9 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=