Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:36:57 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: ./CaGaH4.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 62 41 12 2735 1491 232 Max 63 42 13 2741 1517 237 Sum 2249 1505 435 98523 54175 8407 bravais-lattice index = 14 lattice parameter (alat) = 8.2348 a.u. unit-cell volume = 1285.9653 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.234764 celldm(2)= 1.522259 celldm(3)= 1.552101 celldm(4)= 0.223552 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.522259 0.000000 ) a(3) = ( 0.000000 0.346975 1.512820 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.656919 -0.150669 ) b(3) = ( 0.000000 0.000000 0.661017 ) PseudoPot. # 1 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. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 H 1.00 1.00790 H( 1.00) Ca 10.00 40.07800 Ca( 1.00) Ga 13.00 69.72300 Ga( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0000000 0.0000000 0.0137712), wk = 0.0038168 k( 3) = ( 0.0000000 0.0000000 0.0275424), wk = 0.0038168 k( 4) = ( 0.0000000 0.0000000 0.0413136), wk = 0.0038168 k( 5) = ( 0.0000000 0.0000000 0.0550848), wk = 0.0038168 k( 6) = ( 0.0000000 0.0000000 0.0688560), wk = 0.0038168 k( 7) = ( 0.0000000 0.0000000 0.0826271), wk = 0.0038168 k( 8) = ( 0.0000000 0.0000000 0.0963983), wk = 0.0038168 k( 9) = ( 0.0000000 0.0000000 0.1101695), wk = 0.0038168 k( 10) = ( 0.0000000 0.0000000 0.1239407), wk = 0.0038168 k( 11) = ( 0.0000000 0.0000000 0.1377119), wk = 0.0038168 k( 12) = ( 0.0000000 0.0000000 0.1514831), wk = 0.0038168 k( 13) = ( 0.0000000 0.0000000 0.1652543), wk = 0.0038168 k( 14) = ( 0.0000000 0.0000000 0.1790255), wk = 0.0038168 k( 15) = ( 0.0000000 0.0000000 0.1927967), wk = 0.0038168 k( 16) = ( 0.0000000 0.0000000 0.2065678), wk = 0.0038168 k( 17) = ( 0.0000000 0.0000000 0.2203390), wk = 0.0038168 k( 18) = ( 0.0000000 0.0000000 0.2341102), wk = 0.0038168 k( 19) = ( 0.0000000 0.0000000 0.2478814), wk = 0.0038168 k( 20) = ( 0.0000000 0.0000000 0.2616526), wk = 0.0038168 k( 21) = ( 0.0000000 0.0000000 0.2754238), wk = 0.0038168 k( 22) = ( 0.0000000 0.0000000 0.2891950), wk = 0.0038168 k( 23) = ( 0.0000000 0.0000000 0.3029662), wk = 0.0038168 k( 24) = ( 0.0000000 0.0000000 0.3167374), wk = 0.0038168 k( 25) = ( 0.0000000 0.0000000 0.3305086), wk = 0.0038168 k( 26) = ( 0.0000000 0.0000000 0.3305086), wk = 0.0038168 k( 27) = ( 0.0000000 0.0134967 0.3305086), wk = 0.0038168 k( 28) = ( 0.0000000 0.0269933 0.3305086), wk = 0.0038168 k( 29) = ( 0.0000000 0.0404900 0.3305086), wk = 0.0038168 k( 30) = ( 0.0000000 0.0539867 0.3305086), wk = 0.0038168 k( 31) = ( 0.0000000 0.0674834 0.3305086), wk = 0.0038168 k( 32) = ( 0.0000000 0.0809800 0.3305086), wk = 0.0038168 k( 33) = ( 0.0000000 0.0944767 0.3305086), wk = 0.0038168 k( 34) = ( 0.0000000 0.1079734 0.3305086), wk = 0.0038168 k( 35) = ( 0.0000000 0.1214700 0.3305086), wk = 0.0038168 k( 36) = ( 0.0000000 0.1349667 0.3305086), wk = 0.0038168 k( 37) = ( 0.0000000 0.1484634 0.3305086), wk = 0.0038168 k( 38) = ( 0.0000000 0.1619600 0.3305086), wk = 0.0038168 k( 39) = ( 0.0000000 0.1754567 0.3305086), wk = 0.0038168 k( 40) = ( 0.0000000 0.1889534 0.3305086), wk = 0.0038168 k( 41) = ( 0.0000000 0.2024500 0.3305086), wk = 0.0038168 k( 42) = ( 0.0000000 0.2159467 0.3305086), wk = 0.0038168 k( 43) = ( 0.0000000 0.2294434 0.3305086), wk = 0.0038168 k( 44) = ( 0.0000000 0.2429401 0.3305086), wk = 0.0038168 k( 45) = ( 0.0000000 0.2564367 0.3305086), wk = 0.0038168 k( 46) = ( 0.0000000 0.2699334 0.3305086), wk = 0.0038168 k( 47) = ( 0.0000000 0.2699334 0.3305086), wk = 0.0038168 k( 48) = ( 0.0000000 0.2782942 0.3197465), wk = 0.0038168 k( 49) = ( 0.0000000 0.2866551 0.3089845), wk = 0.0038168 k( 50) = ( 0.0000000 0.2950159 0.2982224), wk = 0.0038168 k( 51) = ( 0.0000000 0.3033768 0.2874604), wk = 0.0038168 k( 52) = ( 0.0000000 0.3117376 0.2766983), wk = 0.0038168 k( 53) = ( 0.0000000 0.3200985 0.2659363), wk = 0.0038168 k( 54) = ( 0.0000000 0.3284593 0.2551742), wk = 0.0038168 k( 55) = ( 0.0000000 0.3284593 0.2551742), wk = 0.0038168 k( 56) = ( 0.0135135 0.3284593 0.2551742), wk = 0.0038168 k( 57) = ( 0.0270270 0.3284593 0.2551742), wk = 0.0038168 k( 58) = ( 0.0405405 0.3284593 0.2551742), wk = 0.0038168 k( 59) = ( 0.0540540 0.3284593 0.2551742), wk = 0.0038168 k( 60) = ( 0.0675676 0.3284593 0.2551742), wk = 0.0038168 k( 61) = ( 0.0810811 0.3284593 0.2551742), wk = 0.0038168 k( 62) = ( 0.0945946 0.3284593 0.2551742), wk = 0.0038168 k( 63) = ( 0.1081081 0.3284593 0.2551742), wk = 0.0038168 k( 64) = ( 0.1216216 0.3284593 0.2551742), wk = 0.0038168 k( 65) = ( 0.1351351 0.3284593 0.2551742), wk = 0.0038168 k( 66) = ( 0.1486486 0.3284593 0.2551742), wk = 0.0038168 k( 67) = ( 0.1621622 0.3284593 0.2551742), wk = 0.0038168 k( 68) = ( 0.1756757 0.3284593 0.2551742), wk = 0.0038168 k( 69) = ( 0.1891892 0.3284593 0.2551742), wk = 0.0038168 k( 70) = ( 0.2027027 0.3284593 0.2551742), wk = 0.0038168 k( 71) = ( 0.2162162 0.3284593 0.2551742), wk = 0.0038168 k( 72) = ( 0.2297297 0.3284593 0.2551742), wk = 0.0038168 k( 73) = ( 0.2432432 0.3284593 0.2551742), wk = 0.0038168 k( 74) = ( 0.2567568 0.3284593 0.2551742), wk = 0.0038168 k( 75) = ( 0.2702703 0.3284593 0.2551742), wk = 0.0038168 k( 76) = ( 0.2837838 0.3284593 0.2551742), wk = 0.0038168 k( 77) = ( 0.2972973 0.3284593 0.2551742), wk = 0.0038168 k( 78) = ( 0.3108108 0.3284593 0.2551742), wk = 0.0038168 k( 79) = ( 0.3243243 0.3284593 0.2551742), wk = 0.0038168 k( 80) = ( 0.3378378 0.3284593 0.2551742), wk = 0.0038168 k( 81) = ( 0.3513514 0.3284593 0.2551742), wk = 0.0038168 k( 82) = ( 0.3648649 0.3284593 0.2551742), wk = 0.0038168 k( 83) = ( 0.3783784 0.3284593 0.2551742), wk = 0.0038168 k( 84) = ( 0.3918919 0.3284593 0.2551742), wk = 0.0038168 k( 85) = ( 0.4054054 0.3284593 0.2551742), wk = 0.0038168 k( 86) = ( 0.4189189 0.3284593 0.2551742), wk = 0.0038168 k( 87) = ( 0.4324324 0.3284593 0.2551742), wk = 0.0038168 k( 88) = ( 0.4459459 0.3284593 0.2551742), wk = 0.0038168 k( 89) = ( 0.4594595 0.3284593 0.2551742), wk = 0.0038168 k( 90) = ( 0.4729730 0.3284593 0.2551742), wk = 0.0038168 k( 91) = ( 0.4864865 0.3284593 0.2551742), wk = 0.0038168 k( 92) = ( 0.5000000 0.3284593 0.2551742), wk = 0.0038168 k( 93) = ( 0.5000000 0.3284593 0.2551742), wk = 0.0038168 k( 94) = ( 0.5000000 0.3368202 0.2444122), wk = 0.0038168 k( 95) = ( 0.5000000 0.3451810 0.2336501), wk = 0.0038168 k( 96) = ( 0.5000000 0.3535418 0.2228881), wk = 0.0038168 k( 97) = ( 0.5000000 0.3619027 0.2121260), wk = 0.0038168 k( 98) = ( 0.5000000 0.3702635 0.2013640), wk = 0.0038168 k( 99) = ( 0.5000000 0.3786244 0.1906019), wk = 0.0038168 k( 100) = ( 0.5000000 0.3869852 0.1798399), wk = 0.0038168 k( 101) = ( 0.5000000 0.3869852 0.1798399), wk = 0.0038168 k( 102) = ( 0.5000000 0.3839049 0.1664096), wk = 0.0038168 k( 103) = ( 0.5000000 0.3808246 0.1529794), wk = 0.0038168 k( 104) = ( 0.5000000 0.3777443 0.1395492), wk = 0.0038168 k( 105) = ( 0.5000000 0.3746640 0.1261190), wk = 0.0038168 k( 106) = ( 0.5000000 0.3715837 0.1126888), wk = 0.0038168 k( 107) = ( 0.5000000 0.3685034 0.0992585), wk = 0.0038168 k( 108) = ( 0.5000000 0.3654230 0.0858283), wk = 0.0038168 k( 109) = ( 0.5000000 0.3623427 0.0723981), wk = 0.0038168 k( 110) = ( 0.5000000 0.3592624 0.0589679), wk = 0.0038168 k( 111) = ( 0.5000000 0.3561821 0.0455377), wk = 0.0038168 k( 112) = ( 0.5000000 0.3531018 0.0321074), wk = 0.0038168 k( 113) = ( 0.5000000 0.3500215 0.0186772), wk = 0.0038168 k( 114) = ( 0.5000000 0.3469412 0.0052470), wk = 0.0038168 k( 115) = ( 0.5000000 0.3438609 -0.0081832), wk = 0.0038168 k( 116) = ( 0.5000000 0.3407806 -0.0216135), wk = 0.0038168 k( 117) = ( 0.5000000 0.3377002 -0.0350437), wk = 0.0038168 k( 118) = ( 0.5000000 0.3346199 -0.0484739), wk = 0.0038168 k( 119) = ( 0.5000000 0.3315396 -0.0619041), wk = 0.0038168 k( 120) = ( 0.5000000 0.3284593 -0.0753343), wk = 0.0038168 k( 121) = ( 0.5000000 0.3284593 -0.0753343), wk = 0.0038168 k( 122) = ( 0.4864865 0.3284593 -0.0753343), wk = 0.0038168 k( 123) = ( 0.4729730 0.3284593 -0.0753343), wk = 0.0038168 k( 124) = ( 0.4594595 0.3284593 -0.0753343), wk = 0.0038168 k( 125) = ( 0.4459459 0.3284593 -0.0753343), wk = 0.0038168 k( 126) = ( 0.4324324 0.3284593 -0.0753343), wk = 0.0038168 k( 127) = ( 0.4189189 0.3284593 -0.0753343), wk = 0.0038168 k( 128) = ( 0.4054054 0.3284593 -0.0753343), wk = 0.0038168 k( 129) = ( 0.3918919 0.3284593 -0.0753343), wk = 0.0038168 k( 130) = ( 0.3783784 0.3284593 -0.0753343), wk = 0.0038168 k( 131) = ( 0.3648649 0.3284593 -0.0753343), wk = 0.0038168 k( 132) = ( 0.3513514 0.3284593 -0.0753343), wk = 0.0038168 k( 133) = ( 0.3378378 0.3284593 -0.0753343), wk = 0.0038168 k( 134) = ( 0.3243243 0.3284593 -0.0753343), wk = 0.0038168 k( 135) = ( 0.3108108 0.3284593 -0.0753343), wk = 0.0038168 k( 136) = ( 0.2972973 0.3284593 -0.0753343), wk = 0.0038168 k( 137) = ( 0.2837838 0.3284593 -0.0753343), wk = 0.0038168 k( 138) = ( 0.2702703 0.3284593 -0.0753343), wk = 0.0038168 k( 139) = ( 0.2567568 0.3284593 -0.0753343), wk = 0.0038168 k( 140) = ( 0.2432432 0.3284593 -0.0753343), wk = 0.0038168 k( 141) = ( 0.2297297 0.3284593 -0.0753343), wk = 0.0038168 k( 142) = ( 0.2162162 0.3284593 -0.0753343), wk = 0.0038168 k( 143) = ( 0.2027027 0.3284593 -0.0753343), wk = 0.0038168 k( 144) = ( 0.1891892 0.3284593 -0.0753343), wk = 0.0038168 k( 145) = ( 0.1756757 0.3284593 -0.0753343), wk = 0.0038168 k( 146) = ( 0.1621622 0.3284593 -0.0753343), wk = 0.0038168 k( 147) = ( 0.1486486 0.3284593 -0.0753343), wk = 0.0038168 k( 148) = ( 0.1351351 0.3284593 -0.0753343), wk = 0.0038168 k( 149) = ( 0.1216216 0.3284593 -0.0753343), wk = 0.0038168 k( 150) = ( 0.1081081 0.3284593 -0.0753343), wk = 0.0038168 k( 151) = ( 0.0945946 0.3284593 -0.0753343), wk = 0.0038168 k( 152) = ( 0.0810811 0.3284593 -0.0753343), wk = 0.0038168 k( 153) = ( 0.0675676 0.3284593 -0.0753343), wk = 0.0038168 k( 154) = ( 0.0540540 0.3284593 -0.0753343), wk = 0.0038168 k( 155) = ( 0.0405405 0.3284593 -0.0753343), wk = 0.0038168 k( 156) = ( 0.0270270 0.3284593 -0.0753343), wk = 0.0038168 k( 157) = ( 0.0135135 0.3284593 -0.0753343), wk = 0.0038168 k( 158) = ( 0.0000000 0.3284593 -0.0753343), wk = 0.0038168 k( 159) = ( 0.0000000 0.3284593 -0.0753343), wk = 0.0038168 k( 160) = ( 0.0000000 0.3315396 -0.0619041), wk = 0.0038168 k( 161) = ( 0.0000000 0.3346199 -0.0484739), wk = 0.0038168 k( 162) = ( 0.0000000 0.3377002 -0.0350437), wk = 0.0038168 k( 163) = ( 0.0000000 0.3407806 -0.0216135), wk = 0.0038168 k( 164) = ( 0.0000000 0.3438609 -0.0081832), wk = 0.0038168 k( 165) = ( 0.0000000 0.3469412 0.0052470), wk = 0.0038168 k( 166) = ( 0.0000000 0.3500215 0.0186772), wk = 0.0038168 k( 167) = ( 0.0000000 0.3531018 0.0321074), wk = 0.0038168 k( 168) = ( 0.0000000 0.3561821 0.0455377), wk = 0.0038168 k( 169) = ( 0.0000000 0.3592624 0.0589679), wk = 0.0038168 k( 170) = ( 0.0000000 0.3623427 0.0723981), wk = 0.0038168 k( 171) = ( 0.0000000 0.3654230 0.0858283), wk = 0.0038168 k( 172) = ( 0.0000000 0.3685034 0.0992585), wk = 0.0038168 k( 173) = ( 0.0000000 0.3715837 0.1126888), wk = 0.0038168 k( 174) = ( 0.0000000 0.3746640 0.1261190), wk = 0.0038168 k( 175) = ( 0.0000000 0.3777443 0.1395492), wk = 0.0038168 k( 176) = ( 0.0000000 0.3808246 0.1529794), wk = 0.0038168 k( 177) = ( 0.0000000 0.3839049 0.1664096), wk = 0.0038168 k( 178) = ( 0.0000000 0.3869852 0.1798399), wk = 0.0038168 k( 179) = ( 0.5000000 0.2699334 0.3305086), wk = 0.0038168 k( 180) = ( 0.5000000 0.2564367 0.3305086), wk = 0.0038168 k( 181) = ( 0.5000000 0.2429401 0.3305086), wk = 0.0038168 k( 182) = ( 0.5000000 0.2294434 0.3305086), wk = 0.0038168 k( 183) = ( 0.5000000 0.2159467 0.3305086), wk = 0.0038168 k( 184) = ( 0.5000000 0.2024500 0.3305086), wk = 0.0038168 k( 185) = ( 0.5000000 0.1889534 0.3305086), wk = 0.0038168 k( 186) = ( 0.5000000 0.1754567 0.3305086), wk = 0.0038168 k( 187) = ( 0.5000000 0.1619600 0.3305086), wk = 0.0038168 k( 188) = ( 0.5000000 0.1484634 0.3305086), wk = 0.0038168 k( 189) = ( 0.5000000 0.1349667 0.3305086), wk = 0.0038168 k( 190) = ( 0.5000000 0.1214700 0.3305086), wk = 0.0038168 k( 191) = ( 0.5000000 0.1079734 0.3305086), wk = 0.0038168 k( 192) = ( 0.5000000 0.0944767 0.3305086), wk = 0.0038168 k( 193) = ( 0.5000000 0.0809800 0.3305086), wk = 0.0038168 k( 194) = ( 0.5000000 0.0674834 0.3305086), wk = 0.0038168 k( 195) = ( 0.5000000 0.0539867 0.3305086), wk = 0.0038168 k( 196) = ( 0.5000000 0.0404900 0.3305086), wk = 0.0038168 k( 197) = ( 0.5000000 0.0269933 0.3305086), wk = 0.0038168 k( 198) = ( 0.5000000 0.0134967 0.3305086), wk = 0.0038168 k( 199) = ( 0.5000000 -0.0000000 0.3305086), wk = 0.0038168 k( 200) = ( 0.5000000 -0.0000000 0.3305086), wk = 0.0038168 k( 201) = ( 0.5000000 -0.0000000 0.3167374), wk = 0.0038168 k( 202) = ( 0.5000000 -0.0000000 0.3029662), wk = 0.0038168 k( 203) = ( 0.5000000 -0.0000000 0.2891950), wk = 0.0038168 k( 204) = ( 0.5000000 -0.0000000 0.2754238), wk = 0.0038168 k( 205) = ( 0.5000000 -0.0000000 0.2616526), wk = 0.0038168 k( 206) = ( 0.5000000 -0.0000000 0.2478814), wk = 0.0038168 k( 207) = ( 0.5000000 -0.0000000 0.2341102), wk = 0.0038168 k( 208) = ( 0.5000000 -0.0000000 0.2203390), wk = 0.0038168 k( 209) = ( 0.5000000 -0.0000000 0.2065678), wk = 0.0038168 k( 210) = ( 0.5000000 -0.0000000 0.1927967), wk = 0.0038168 k( 211) = ( 0.5000000 -0.0000000 0.1790255), wk = 0.0038168 k( 212) = ( 0.5000000 -0.0000000 0.1652543), wk = 0.0038168 k( 213) = ( 0.5000000 -0.0000000 0.1514831), wk = 0.0038168 k( 214) = ( 0.5000000 -0.0000000 0.1377119), wk = 0.0038168 k( 215) = ( 0.5000000 -0.0000000 0.1239407), wk = 0.0038168 k( 216) = ( 0.5000000 -0.0000000 0.1101695), wk = 0.0038168 k( 217) = ( 0.5000000 -0.0000000 0.0963983), wk = 0.0038168 k( 218) = ( 0.5000000 -0.0000000 0.0826271), wk = 0.0038168 k( 219) = ( 0.5000000 -0.0000000 0.0688560), wk = 0.0038168 k( 220) = ( 0.5000000 -0.0000000 0.0550848), wk = 0.0038168 k( 221) = ( 0.5000000 -0.0000000 0.0413136), wk = 0.0038168 k( 222) = ( 0.5000000 -0.0000000 0.0275424), wk = 0.0038168 k( 223) = ( 0.5000000 -0.0000000 0.0137712), wk = 0.0038168 k( 224) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038168 k( 225) = ( 0.0000000 0.0000000 0.3305086), wk = 0.0038168 k( 226) = ( 0.0135135 -0.0000000 0.3305086), wk = 0.0038168 k( 227) = ( 0.0270270 -0.0000000 0.3305086), wk = 0.0038168 k( 228) = ( 0.0405405 -0.0000000 0.3305086), wk = 0.0038168 k( 229) = ( 0.0540540 -0.0000000 0.3305086), wk = 0.0038168 k( 230) = ( 0.0675676 -0.0000000 0.3305086), wk = 0.0038168 k( 231) = ( 0.0810811 -0.0000000 0.3305086), wk = 0.0038168 k( 232) = ( 0.0945946 -0.0000000 0.3305086), wk = 0.0038168 k( 233) = ( 0.1081081 -0.0000000 0.3305086), wk = 0.0038168 k( 234) = ( 0.1216216 -0.0000000 0.3305086), wk = 0.0038168 k( 235) = ( 0.1351351 -0.0000000 0.3305086), wk = 0.0038168 k( 236) = ( 0.1486486 -0.0000000 0.3305086), wk = 0.0038168 k( 237) = ( 0.1621622 -0.0000000 0.3305086), wk = 0.0038168 k( 238) = ( 0.1756757 -0.0000000 0.3305086), wk = 0.0038168 k( 239) = ( 0.1891892 -0.0000000 0.3305086), wk = 0.0038168 k( 240) = ( 0.2027027 -0.0000000 0.3305086), wk = 0.0038168 k( 241) = ( 0.2162162 -0.0000000 0.3305086), wk = 0.0038168 k( 242) = ( 0.2297297 -0.0000000 0.3305086), wk = 0.0038168 k( 243) = ( 0.2432432 -0.0000000 0.3305086), wk = 0.0038168 k( 244) = ( 0.2567568 -0.0000000 0.3305086), wk = 0.0038168 k( 245) = ( 0.2702703 -0.0000000 0.3305086), wk = 0.0038168 k( 246) = ( 0.2837838 -0.0000000 0.3305086), wk = 0.0038168 k( 247) = ( 0.2972973 -0.0000000 0.3305086), wk = 0.0038168 k( 248) = ( 0.3108108 -0.0000000 0.3305086), wk = 0.0038168 k( 249) = ( 0.3243243 -0.0000000 0.3305086), wk = 0.0038168 k( 250) = ( 0.3378378 -0.0000000 0.3305086), wk = 0.0038168 k( 251) = ( 0.3513514 -0.0000000 0.3305086), wk = 0.0038168 k( 252) = ( 0.3648649 -0.0000000 0.3305086), wk = 0.0038168 k( 253) = ( 0.3783784 -0.0000000 0.3305086), wk = 0.0038168 k( 254) = ( 0.3918919 -0.0000000 0.3305086), wk = 0.0038168 k( 255) = ( 0.4054054 -0.0000000 0.3305086), wk = 0.0038168 k( 256) = ( 0.4189189 -0.0000000 0.3305086), wk = 0.0038168 k( 257) = ( 0.4324324 -0.0000000 0.3305086), wk = 0.0038168 k( 258) = ( 0.4459459 -0.0000000 0.3305086), wk = 0.0038168 k( 259) = ( 0.4594595 -0.0000000 0.3305086), wk = 0.0038168 k( 260) = ( 0.4729730 -0.0000000 0.3305086), wk = 0.0038168 k( 261) = ( 0.4864865 -0.0000000 0.3305086), wk = 0.0038168 k( 262) = ( 0.5000000 -0.0000000 0.3305086), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0038168 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0038168 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0038168 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0038168 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0038168 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0038168 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0038168 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038168 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0038168 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0038168 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0038168 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038168 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0038168 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0038168 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0038168 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038168 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0038168 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0038168 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0038168 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0038168 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0038168 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0038168 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0038168 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 27) = ( 0.0000000 0.0205454 0.5046830), wk = 0.0038168 k( 28) = ( 0.0000000 0.0410908 0.5093660), wk = 0.0038168 k( 29) = ( 0.0000000 0.0616363 0.5140490), wk = 0.0038168 k( 30) = ( 0.0000000 0.0821817 0.5187321), wk = 0.0038168 k( 31) = ( 0.0000000 0.1027271 0.5234151), wk = 0.0038168 k( 32) = ( 0.0000000 0.1232725 0.5280981), wk = 0.0038168 k( 33) = ( 0.0000000 0.1438179 0.5327811), wk = 0.0038168 k( 34) = ( 0.0000000 0.1643634 0.5374641), wk = 0.0038168 k( 35) = ( 0.0000000 0.1849088 0.5421471), wk = 0.0038168 k( 36) = ( 0.0000000 0.2054542 0.5468301), wk = 0.0038168 k( 37) = ( 0.0000000 0.2259996 0.5515131), wk = 0.0038168 k( 38) = ( 0.0000000 0.2465451 0.5561962), wk = 0.0038168 k( 39) = ( 0.0000000 0.2670905 0.5608792), wk = 0.0038168 k( 40) = ( 0.0000000 0.2876359 0.5655622), wk = 0.0038168 k( 41) = ( 0.0000000 0.3081813 0.5702452), wk = 0.0038168 k( 42) = ( 0.0000000 0.3287267 0.5749282), wk = 0.0038168 k( 43) = ( 0.0000000 0.3492722 0.5796112), wk = 0.0038168 k( 44) = ( 0.0000000 0.3698176 0.5842942), wk = 0.0038168 k( 45) = ( 0.0000000 0.3903630 0.5889772), wk = 0.0038168 k( 46) = ( 0.0000000 0.4109084 0.5936603), wk = 0.0038168 k( 47) = ( 0.0000000 0.4109084 0.5936603), wk = 0.0038168 k( 48) = ( 0.0000000 0.4236358 0.5802802), wk = 0.0038168 k( 49) = ( 0.0000000 0.4363632 0.5669002), wk = 0.0038168 k( 50) = ( 0.0000000 0.4490905 0.5535201), wk = 0.0038168 k( 51) = ( 0.0000000 0.4618179 0.5401401), wk = 0.0038168 k( 52) = ( 0.0000000 0.4745453 0.5267601), wk = 0.0038168 k( 53) = ( 0.0000000 0.4872726 0.5133800), wk = 0.0038168 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038168 k( 55) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038168 k( 56) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0038168 k( 57) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0038168 k( 58) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0038168 k( 59) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0038168 k( 60) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0038168 k( 61) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0038168 k( 62) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0038168 k( 63) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0038168 k( 64) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0038168 k( 65) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0038168 k( 66) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0038168 k( 67) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0038168 k( 68) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0038168 k( 69) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0038168 k( 70) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0038168 k( 71) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0038168 k( 72) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0038168 k( 73) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0038168 k( 74) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0038168 k( 75) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0038168 k( 76) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0038168 k( 77) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0038168 k( 78) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0038168 k( 79) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0038168 k( 80) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0038168 k( 81) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0038168 k( 82) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0038168 k( 83) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0038168 k( 84) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0038168 k( 85) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0038168 k( 86) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0038168 k( 87) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0038168 k( 88) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0038168 k( 89) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0038168 k( 90) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0038168 k( 91) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0038168 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 94) = ( 0.5000000 0.5127274 0.4866200), wk = 0.0038168 k( 95) = ( 0.5000000 0.5254547 0.4732399), wk = 0.0038168 k( 96) = ( 0.5000000 0.5381821 0.4598599), wk = 0.0038168 k( 97) = ( 0.5000000 0.5509095 0.4464799), wk = 0.0038168 k( 98) = ( 0.5000000 0.5636368 0.4330998), wk = 0.0038168 k( 99) = ( 0.5000000 0.5763642 0.4197198), wk = 0.0038168 k( 100) = ( 0.5000000 0.5890916 0.4063397), wk = 0.0038168 k( 101) = ( 0.5000000 0.5890916 0.4063397), wk = 0.0038168 k( 102) = ( 0.5000000 0.5844025 0.3849534), wk = 0.0038168 k( 103) = ( 0.5000000 0.5797135 0.3635671), wk = 0.0038168 k( 104) = ( 0.5000000 0.5750245 0.3421808), wk = 0.0038168 k( 105) = ( 0.5000000 0.5703354 0.3207945), wk = 0.0038168 k( 106) = ( 0.5000000 0.5656464 0.2994082), wk = 0.0038168 k( 107) = ( 0.5000000 0.5609574 0.2780219), wk = 0.0038168 k( 108) = ( 0.5000000 0.5562684 0.2566356), wk = 0.0038168 k( 109) = ( 0.5000000 0.5515793 0.2352493), wk = 0.0038168 k( 110) = ( 0.5000000 0.5468903 0.2138630), wk = 0.0038168 k( 111) = ( 0.5000000 0.5422013 0.1924767), wk = 0.0038168 k( 112) = ( 0.5000000 0.5375122 0.1710904), wk = 0.0038168 k( 113) = ( 0.5000000 0.5328232 0.1497041), wk = 0.0038168 k( 114) = ( 0.5000000 0.5281342 0.1283178), wk = 0.0038168 k( 115) = ( 0.5000000 0.5234452 0.1069315), wk = 0.0038168 k( 116) = ( 0.5000000 0.5187561 0.0855452), wk = 0.0038168 k( 117) = ( 0.5000000 0.5140671 0.0641589), wk = 0.0038168 k( 118) = ( 0.5000000 0.5093781 0.0427726), wk = 0.0038168 k( 119) = ( 0.5000000 0.5046890 0.0213863), wk = 0.0038168 k( 120) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038168 k( 121) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038168 k( 122) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0038168 k( 123) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0038168 k( 124) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0038168 k( 125) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0038168 k( 126) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0038168 k( 127) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0038168 k( 128) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0038168 k( 129) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0038168 k( 130) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0038168 k( 131) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0038168 k( 132) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0038168 k( 133) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0038168 k( 134) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0038168 k( 135) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0038168 k( 136) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0038168 k( 137) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0038168 k( 138) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0038168 k( 139) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0038168 k( 140) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0038168 k( 141) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0038168 k( 142) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0038168 k( 143) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0038168 k( 144) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0038168 k( 145) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0038168 k( 146) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0038168 k( 147) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0038168 k( 148) = ( 0.1351351 0.5000000 0.0000000), wk = 0.0038168 k( 149) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0038168 k( 150) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0038168 k( 151) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0038168 k( 152) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0038168 k( 153) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0038168 k( 154) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0038168 k( 155) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0038168 k( 156) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0038168 k( 157) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0038168 k( 158) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038168 k( 159) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038168 k( 160) = ( 0.0000000 0.5046890 0.0213863), wk = 0.0038168 k( 161) = ( 0.0000000 0.5093781 0.0427726), wk = 0.0038168 k( 162) = ( 0.0000000 0.5140671 0.0641589), wk = 0.0038168 k( 163) = ( 0.0000000 0.5187561 0.0855452), wk = 0.0038168 k( 164) = ( 0.0000000 0.5234452 0.1069315), wk = 0.0038168 k( 165) = ( 0.0000000 0.5281342 0.1283178), wk = 0.0038168 k( 166) = ( 0.0000000 0.5328232 0.1497041), wk = 0.0038168 k( 167) = ( 0.0000000 0.5375122 0.1710904), wk = 0.0038168 k( 168) = ( 0.0000000 0.5422013 0.1924767), wk = 0.0038168 k( 169) = ( 0.0000000 0.5468903 0.2138630), wk = 0.0038168 k( 170) = ( 0.0000000 0.5515793 0.2352493), wk = 0.0038168 k( 171) = ( 0.0000000 0.5562684 0.2566356), wk = 0.0038168 k( 172) = ( 0.0000000 0.5609574 0.2780219), wk = 0.0038168 k( 173) = ( 0.0000000 0.5656464 0.2994082), wk = 0.0038168 k( 174) = ( 0.0000000 0.5703354 0.3207945), wk = 0.0038168 k( 175) = ( 0.0000000 0.5750245 0.3421808), wk = 0.0038168 k( 176) = ( 0.0000000 0.5797135 0.3635671), wk = 0.0038168 k( 177) = ( 0.0000000 0.5844025 0.3849534), wk = 0.0038168 k( 178) = ( 0.0000000 0.5890916 0.4063397), wk = 0.0038168 k( 179) = ( 0.5000000 0.4109084 0.5936603), wk = 0.0038168 k( 180) = ( 0.5000000 0.3903630 0.5889772), wk = 0.0038168 k( 181) = ( 0.5000000 0.3698176 0.5842942), wk = 0.0038168 k( 182) = ( 0.5000000 0.3492722 0.5796112), wk = 0.0038168 k( 183) = ( 0.5000000 0.3287267 0.5749282), wk = 0.0038168 k( 184) = ( 0.5000000 0.3081813 0.5702452), wk = 0.0038168 k( 185) = ( 0.5000000 0.2876359 0.5655622), wk = 0.0038168 k( 186) = ( 0.5000000 0.2670905 0.5608792), wk = 0.0038168 k( 187) = ( 0.5000000 0.2465451 0.5561962), wk = 0.0038168 k( 188) = ( 0.5000000 0.2259996 0.5515131), wk = 0.0038168 k( 189) = ( 0.5000000 0.2054542 0.5468301), wk = 0.0038168 k( 190) = ( 0.5000000 0.1849088 0.5421471), wk = 0.0038168 k( 191) = ( 0.5000000 0.1643634 0.5374641), wk = 0.0038168 k( 192) = ( 0.5000000 0.1438179 0.5327811), wk = 0.0038168 k( 193) = ( 0.5000000 0.1232725 0.5280981), wk = 0.0038168 k( 194) = ( 0.5000000 0.1027271 0.5234151), wk = 0.0038168 k( 195) = ( 0.5000000 0.0821817 0.5187321), wk = 0.0038168 k( 196) = ( 0.5000000 0.0616363 0.5140490), wk = 0.0038168 k( 197) = ( 0.5000000 0.0410908 0.5093660), wk = 0.0038168 k( 198) = ( 0.5000000 0.0205454 0.5046830), wk = 0.0038168 k( 199) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038168 k( 200) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038168 k( 201) = ( 0.5000000 -0.0000000 0.4791667), wk = 0.0038168 k( 202) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0038168 k( 203) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0038168 k( 204) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0038168 k( 205) = ( 0.5000000 -0.0000000 0.3958333), wk = 0.0038168 k( 206) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0038168 k( 207) = ( 0.5000000 -0.0000000 0.3541667), wk = 0.0038168 k( 208) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0038168 k( 209) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0038168 k( 210) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0038168 k( 211) = ( 0.5000000 -0.0000000 0.2708333), wk = 0.0038168 k( 212) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0038168 k( 213) = ( 0.5000000 -0.0000000 0.2291667), wk = 0.0038168 k( 214) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0038168 k( 215) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0038168 k( 216) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0038168 k( 217) = ( 0.5000000 -0.0000000 0.1458333), wk = 0.0038168 k( 218) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0038168 k( 219) = ( 0.5000000 -0.0000000 0.1041667), wk = 0.0038168 k( 220) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0038168 k( 221) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0038168 k( 222) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0038168 k( 223) = ( 0.5000000 -0.0000000 0.0208333), wk = 0.0038168 k( 224) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038168 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 226) = ( 0.0135135 -0.0000000 0.5000000), wk = 0.0038168 k( 227) = ( 0.0270270 -0.0000000 0.5000000), wk = 0.0038168 k( 228) = ( 0.0405405 -0.0000000 0.5000000), wk = 0.0038168 k( 229) = ( 0.0540540 -0.0000000 0.5000000), wk = 0.0038168 k( 230) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0038168 k( 231) = ( 0.0810811 -0.0000000 0.5000000), wk = 0.0038168 k( 232) = ( 0.0945946 0.0000000 0.5000000), wk = 0.0038168 k( 233) = ( 0.1081081 -0.0000000 0.5000000), wk = 0.0038168 k( 234) = ( 0.1216216 -0.0000000 0.5000000), wk = 0.0038168 k( 235) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0038168 k( 236) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0038168 k( 237) = ( 0.1621622 -0.0000000 0.5000000), wk = 0.0038168 k( 238) = ( 0.1756757 -0.0000000 0.5000000), wk = 0.0038168 k( 239) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0038168 k( 240) = ( 0.2027027 -0.0000000 0.5000000), wk = 0.0038168 k( 241) = ( 0.2162162 -0.0000000 0.5000000), wk = 0.0038168 k( 242) = ( 0.2297297 -0.0000000 0.5000000), wk = 0.0038168 k( 243) = ( 0.2432432 -0.0000000 0.5000000), wk = 0.0038168 k( 244) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0038168 k( 245) = ( 0.2702703 -0.0000000 0.5000000), wk = 0.0038168 k( 246) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0038168 k( 247) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0038168 k( 248) = ( 0.3108108 -0.0000000 0.5000000), wk = 0.0038168 k( 249) = ( 0.3243243 -0.0000000 0.5000000), wk = 0.0038168 k( 250) = ( 0.3378378 -0.0000000 0.5000000), wk = 0.0038168 k( 251) = ( 0.3513514 -0.0000000 0.5000000), wk = 0.0038168 k( 252) = ( 0.3648649 -0.0000000 0.5000000), wk = 0.0038168 k( 253) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0038168 k( 254) = ( 0.3918919 -0.0000000 0.5000000), wk = 0.0038168 k( 255) = ( 0.4054054 -0.0000000 0.5000000), wk = 0.0038168 k( 256) = ( 0.4189189 -0.0000000 0.5000000), wk = 0.0038168 k( 257) = ( 0.4324324 -0.0000000 0.5000000), wk = 0.0038168 k( 258) = ( 0.4459459 -0.0000000 0.5000000), wk = 0.0038168 k( 259) = ( 0.4594595 -0.0000000 0.5000000), wk = 0.0038168 k( 260) = ( 0.4729730 -0.0000000 0.5000000), wk = 0.0038168 k( 261) = ( 0.4864865 -0.0000000 0.5000000), wk = 0.0038168 k( 262) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0038168 Dense grid: 98523 G-vectors FFT dimensions: ( 45, 72, 72) Smooth grid: 54175 G-vectors FFT dimensions: ( 36, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.40 Mb ( 406, 64) NL pseudopotentials 0.47 Mb ( 203, 152) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2738) G-vector shells 0.02 Mb ( 2606) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.59 Mb ( 406, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.30 Mb ( 152, 2, 64) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaGaH4.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.2 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 11.1 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 15.0 secs Computing kpt #: 10 total cpu time spent up to now is 16.4 secs Computing kpt #: 11 total cpu time spent up to now is 17.8 secs Computing kpt #: 12 total cpu time spent up to now is 19.2 secs Computing kpt #: 13 total cpu time spent up to now is 20.8 secs Computing kpt #: 14 total cpu time spent up to now is 22.4 secs Computing kpt #: 15 total cpu time spent up to now is 24.0 secs Computing kpt #: 16 total cpu time spent up to now is 25.4 secs Computing kpt #: 17 total cpu time spent up to now is 26.8 secs Computing kpt #: 18 total cpu time spent up to now is 28.2 secs Computing kpt #: 19 total cpu time spent up to now is 29.6 secs Computing kpt #: 20 total cpu time spent up to now is 31.0 secs Computing kpt #: 21 total cpu time spent up to now is 32.3 secs Computing kpt #: 22 total cpu time spent up to now is 33.8 secs Computing kpt #: 23 total cpu time spent up to now is 35.0 secs Computing kpt #: 24 total cpu time spent up to now is 36.4 secs Computing kpt #: 25 total cpu time spent up to now is 37.6 secs Computing kpt #: 26 total cpu time spent up to now is 38.9 secs Computing kpt #: 27 total cpu time spent up to now is 40.1 secs Computing kpt #: 28 total cpu time spent up to now is 41.3 secs Computing kpt #: 29 total cpu time spent up to now is 42.4 secs Computing kpt #: 30 total cpu time spent up to now is 43.7 secs Computing kpt #: 31 total cpu time spent up to now is 44.9 secs Computing kpt #: 32 total cpu time spent up to now is 46.2 secs Computing kpt #: 33 total cpu time spent up to now is 47.5 secs Computing kpt #: 34 total cpu time spent up to now is 48.6 secs Computing kpt #: 35 total cpu time spent up to now is 49.9 secs Computing kpt #: 36 total cpu time spent up to now is 51.2 secs Computing kpt #: 37 total cpu time spent up to now is 52.4 secs Computing kpt #: 38 total cpu time spent up to now is 53.6 secs Computing kpt #: 39 total cpu time spent up to now is 54.9 secs Computing kpt #: 40 total cpu time spent up to now is 56.1 secs Computing kpt #: 41 total cpu time spent up to now is 57.4 secs Computing kpt #: 42 total cpu time spent up to now is 58.7 secs Computing kpt #: 43 total cpu time spent up to now is 60.0 secs Computing kpt #: 44 total cpu time spent up to now is 61.4 secs Computing kpt #: 45 total cpu time spent up to now is 62.8 secs Computing kpt #: 46 total cpu time spent up to now is 64.3 secs Computing kpt #: 47 total cpu time spent up to now is 65.7 secs Computing kpt #: 48 total cpu time spent up to now is 67.1 secs Computing kpt #: 49 total cpu time spent up to now is 68.5 secs Computing kpt #: 50 total cpu time spent up to now is 70.0 secs Computing kpt #: 51 total cpu time spent up to now is 71.5 secs Computing kpt #: 52 total cpu time spent up to now is 72.9 secs Computing kpt #: 53 total cpu time spent up to now is 74.3 secs Computing kpt #: 54 total cpu time spent up to now is 75.8 secs Computing kpt #: 55 total cpu time spent up to now is 77.3 secs Computing kpt #: 56 total cpu time spent up to now is 79.1 secs Computing kpt #: 57 total cpu time spent up to now is 80.6 secs Computing kpt #: 58 total cpu time spent up to now is 82.0 secs Computing kpt #: 59 total cpu time spent up to now is 83.5 secs Computing kpt #: 60 total cpu time spent up to now is 84.9 secs Computing kpt #: 61 total cpu time spent up to now is 86.3 secs Computing kpt #: 62 total cpu time spent up to now is 87.6 secs Computing kpt #: 63 total cpu time spent up to now is 89.0 secs Computing kpt #: 64 total cpu time spent up to now is 90.4 secs Computing kpt #: 65 total cpu time spent up to now is 91.8 secs Computing kpt #: 66 total cpu time spent up to now is 93.2 secs Computing kpt #: 67 total cpu time spent up to now is 94.8 secs Computing kpt #: 68 total cpu time spent up to now is 96.4 secs Computing kpt #: 69 total cpu time spent up to now is 98.0 secs Computing kpt #: 70 total cpu time spent up to now is 99.5 secs Computing kpt #: 71 total cpu time spent up to now is 101.2 secs Computing kpt #: 72 total cpu time spent up to now is 102.8 secs Computing kpt #: 73 total cpu time spent up to now is 104.2 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.7 secs Computing kpt #: 75 total cpu time spent up to now is 108.6 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.0 secs Computing kpt #: 77 total cpu time spent up to now is 112.5 secs Computing kpt #: 78 total cpu time spent up to now is 113.8 secs Computing kpt #: 79 total cpu time spent up to now is 115.3 secs Computing kpt #: 80 total cpu time spent up to now is 116.7 secs Computing kpt #: 81 total cpu time spent up to now is 118.3 secs Computing kpt #: 82 total cpu time spent up to now is 119.6 secs Computing kpt #: 83 total cpu time spent up to now is 120.8 secs Computing kpt #: 84 total cpu time spent up to now is 122.1 secs Computing kpt #: 85 total cpu time spent up to now is 123.3 secs Computing kpt #: 86 total cpu time spent up to now is 124.4 secs Computing kpt #: 87 total cpu time spent up to now is 125.6 secs Computing kpt #: 88 total cpu time spent up to now is 126.8 secs Computing kpt #: 89 total cpu time spent up to now is 127.8 secs Computing kpt #: 90 total cpu time spent up to now is 128.9 secs Computing kpt #: 91 total cpu time spent up to now is 130.0 secs Computing kpt #: 92 total cpu time spent up to now is 131.1 secs Computing kpt #: 93 total cpu time spent up to now is 132.3 secs Computing kpt #: 94 total cpu time spent up to now is 133.5 secs Computing kpt #: 95 total cpu time spent up to now is 134.6 secs Computing kpt #: 96 total cpu time spent up to now is 135.8 secs Computing kpt #: 97 total cpu time spent up to now is 137.0 secs Computing kpt #: 98 total cpu time spent up to now is 138.1 secs Computing kpt #: 99 total cpu time spent up to now is 139.2 secs Computing kpt #: 100 total cpu time spent up to now is 140.3 secs Computing kpt #: 101 total cpu time spent up to now is 141.4 secs Computing kpt #: 102 total cpu time spent up to now is 142.5 secs Computing kpt #: 103 total cpu time spent up to now is 143.5 secs Computing kpt #: 104 total cpu time spent up to now is 144.6 secs Computing kpt #: 105 total cpu time spent up to now is 145.7 secs Computing kpt #: 106 total cpu time spent up to now is 146.8 secs Computing kpt #: 107 total cpu time spent up to now is 147.9 secs Computing kpt #: 108 total cpu time spent up to now is 149.0 secs Computing kpt #: 109 total cpu time spent up to now is 150.1 secs Computing kpt #: 110 total cpu time spent up to now is 151.3 secs Computing kpt #: 111 total cpu time spent up to now is 152.4 secs Computing kpt #: 112 total cpu time spent up to now is 153.6 secs Computing kpt #: 113 total cpu time spent up to now is 154.6 secs Computing kpt #: 114 total cpu time spent up to now is 155.8 secs Computing kpt #: 115 total cpu time spent up to now is 157.0 secs Computing kpt #: 116 total cpu time spent up to now is 158.1 secs Computing kpt #: 117 total cpu time spent up to now is 159.3 secs Computing kpt #: 118 total cpu time spent up to now is 160.4 secs Computing kpt #: 119 total cpu time spent up to now is 161.6 secs Computing kpt #: 120 total cpu time spent up to now is 162.7 secs Computing kpt #: 121 total cpu time spent up to now is 163.8 secs Computing kpt #: 122 total cpu time spent up to now is 165.0 secs Computing kpt #: 123 total cpu time spent up to now is 166.2 secs Computing kpt #: 124 total cpu time spent up to now is 167.4 secs Computing kpt #: 125 total cpu time spent up to now is 168.6 secs Computing kpt #: 126 total cpu time spent up to now is 169.8 secs Computing kpt #: 127 total cpu time spent up to now is 171.0 secs Computing kpt #: 128 total cpu time spent up to now is 172.2 secs Computing kpt #: 129 total cpu time spent up to now is 173.4 secs Computing kpt #: 130 total cpu time spent up to now is 174.6 secs Computing kpt #: 131 total cpu time spent up to now is 175.8 secs Computing kpt #: 132 total cpu time spent up to now is 177.1 secs Computing kpt #: 133 total cpu time spent up to now is 178.2 secs Computing kpt #: 134 total cpu time spent up to now is 179.5 secs Computing kpt #: 135 total cpu time spent up to now is 180.6 secs Computing kpt #: 136 total cpu time spent up to now is 181.8 secs Computing kpt #: 137 total cpu time spent up to now is 183.0 secs Computing kpt #: 138 total cpu time spent up to now is 184.2 secs Computing kpt #: 139 total cpu time spent up to now is 185.3 secs Computing kpt #: 140 total cpu time spent up to now is 186.5 secs Computing kpt #: 141 total cpu time spent up to now is 187.6 secs Computing kpt #: 142 total cpu time spent up to now is 188.8 secs Computing kpt #: 143 total cpu time spent up to now is 190.0 secs Computing kpt #: 144 total cpu time spent up to now is 191.1 secs Computing kpt #: 145 total cpu time spent up to now is 192.3 secs Computing kpt #: 146 total cpu time spent up to now is 193.6 secs Computing kpt #: 147 total cpu time spent up to now is 195.0 secs Computing kpt #: 148 total cpu time spent up to now is 196.2 secs Computing kpt #: 149 total cpu time spent up to now is 197.6 secs Computing kpt #: 150 total cpu time spent up to now is 199.0 secs Computing kpt #: 151 total cpu time spent up to now is 200.4 secs Computing kpt #: 152 total cpu time spent up to now is 201.9 secs Computing kpt #: 153 total cpu time spent up to now is 203.4 secs Computing kpt #: 154 total cpu time spent up to now is 204.8 secs Computing kpt #: 155 total cpu time spent up to now is 206.7 secs Computing kpt #: 156 total cpu time spent up to now is 208.2 secs Computing kpt #: 157 total cpu time spent up to now is 209.6 secs Computing kpt #: 158 total cpu time spent up to now is 211.0 secs Computing kpt #: 159 total cpu time spent up to now is 212.4 secs Computing kpt #: 160 total cpu time spent up to now is 213.8 secs Computing kpt #: 161 total cpu time spent up to now is 215.2 secs Computing kpt #: 162 total cpu time spent up to now is 216.7 secs Computing kpt #: 163 total cpu time spent up to now is 218.2 secs Computing kpt #: 164 total cpu time spent up to now is 219.3 secs Computing kpt #: 165 total cpu time spent up to now is 220.7 secs Computing kpt #: 166 total cpu time spent up to now is 222.2 secs Computing kpt #: 167 total cpu time spent up to now is 223.7 secs Computing kpt #: 168 total cpu time spent up to now is 225.1 secs Computing kpt #: 169 total cpu time spent up to now is 226.5 secs Computing kpt #: 170 total cpu time spent up to now is 228.0 secs Computing kpt #: 171 total cpu time spent up to now is 229.4 secs Computing kpt #: 172 total cpu time spent up to now is 230.9 secs Computing kpt #: 173 total cpu time spent up to now is 232.4 secs Computing kpt #: 174 total cpu time spent up to now is 233.9 secs Computing kpt #: 175 total cpu time spent up to now is 235.4 secs Computing kpt #: 176 total cpu time spent up to now is 236.8 secs Computing kpt #: 177 total cpu time spent up to now is 238.3 secs Computing kpt #: 178 total cpu time spent up to now is 239.6 secs Computing kpt #: 179 total cpu time spent up to now is 240.7 secs Computing kpt #: 180 total cpu time spent up to now is 241.7 secs Computing kpt #: 181 total cpu time spent up to now is 242.8 secs Computing kpt #: 182 total cpu time spent up to now is 243.8 secs Computing kpt #: 183 total cpu time spent up to now is 244.9 secs Computing kpt #: 184 total cpu time spent up to now is 245.9 secs Computing kpt #: 185 total cpu time spent up to now is 247.0 secs Computing kpt #: 186 total cpu time spent up to now is 248.0 secs Computing kpt #: 187 total cpu time spent up to now is 249.0 secs Computing kpt #: 188 total cpu time spent up to now is 250.1 secs Computing kpt #: 189 total cpu time spent up to now is 251.2 secs Computing kpt #: 190 total cpu time spent up to now is 252.3 secs Computing kpt #: 191 total cpu time spent up to now is 253.4 secs Computing kpt #: 192 total cpu time spent up to now is 254.6 secs Computing kpt #: 193 total cpu time spent up to now is 255.8 secs Computing kpt #: 194 total cpu time spent up to now is 257.0 secs Computing kpt #: 195 total cpu time spent up to now is 258.1 secs Computing kpt #: 196 total cpu time spent up to now is 259.2 secs Computing kpt #: 197 total cpu time spent up to now is 260.4 secs Computing kpt #: 198 total cpu time spent up to now is 261.6 secs Computing kpt #: 199 total cpu time spent up to now is 262.9 secs Computing kpt #: 200 total cpu time spent up to now is 264.1 secs Computing kpt #: 201 total cpu time spent up to now is 265.2 secs Computing kpt #: 202 total cpu time spent up to now is 266.4 secs Computing kpt #: 203 total cpu time spent up to now is 267.6 secs Computing kpt #: 204 total cpu time spent up to now is 268.8 secs Computing kpt #: 205 total cpu time spent up to now is 269.9 secs Computing kpt #: 206 total cpu time spent up to now is 271.0 secs Computing kpt #: 207 total cpu time spent up to now is 272.1 secs Computing kpt #: 208 total cpu time spent up to now is 273.1 secs Computing kpt #: 209 total cpu time spent up to now is 274.2 secs Computing kpt #: 210 total cpu time spent up to now is 275.3 secs Computing kpt #: 211 total cpu time spent up to now is 276.3 secs Computing kpt #: 212 total cpu time spent up to now is 277.3 secs Computing kpt #: 213 total cpu time spent up to now is 278.3 secs Computing kpt #: 214 total cpu time spent up to now is 279.3 secs Computing kpt #: 215 total cpu time spent up to now is 280.2 secs Computing kpt #: 216 total cpu time spent up to now is 281.2 secs Computing kpt #: 217 total cpu time spent up to now is 282.1 secs Computing kpt #: 218 total cpu time spent up to now is 282.9 secs Computing kpt #: 219 total cpu time spent up to now is 283.8 secs Computing kpt #: 220 total cpu time spent up to now is 284.7 secs Computing kpt #: 221 total cpu time spent up to now is 285.6 secs Computing kpt #: 222 total cpu time spent up to now is 286.5 secs Computing kpt #: 223 total cpu time spent up to now is 287.3 secs Computing kpt #: 224 total cpu time spent up to now is 288.3 secs Computing kpt #: 225 total cpu time spent up to now is 289.5 secs Computing kpt #: 226 total cpu time spent up to now is 290.8 secs Computing kpt #: 227 total cpu time spent up to now is 292.1 secs Computing kpt #: 228 total cpu time spent up to now is 293.4 secs Computing kpt #: 229 total cpu time spent up to now is 294.7 secs Computing kpt #: 230 total cpu time spent up to now is 295.9 secs Computing kpt #: 231 total cpu time spent up to now is 297.1 secs Computing kpt #: 232 total cpu time spent up to now is 298.4 secs Computing kpt #: 233 total cpu time spent up to now is 299.6 secs Computing kpt #: 234 total cpu time spent up to now is 300.8 secs Computing kpt #: 235 total cpu time spent up to now is 302.0 secs Computing kpt #: 236 total cpu time spent up to now is 303.2 secs Computing kpt #: 237 total cpu time spent up to now is 304.4 secs Computing kpt #: 238 total cpu time spent up to now is 305.6 secs Computing kpt #: 239 total cpu time spent up to now is 306.8 secs Computing kpt #: 240 total cpu time spent up to now is 308.0 secs Computing kpt #: 241 total cpu time spent up to now is 309.2 secs Computing kpt #: 242 total cpu time spent up to now is 310.4 secs Computing kpt #: 243 total cpu time spent up to now is 311.6 secs Computing kpt #: 244 total cpu time spent up to now is 312.8 secs Computing kpt #: 245 total cpu time spent up to now is 314.0 secs Computing kpt #: 246 total cpu time spent up to now is 315.3 secs Computing kpt #: 247 total cpu time spent up to now is 316.4 secs Computing kpt #: 248 total cpu time spent up to now is 317.6 secs Computing kpt #: 249 total cpu time spent up to now is 318.7 secs Computing kpt #: 250 total cpu time spent up to now is 320.0 secs Computing kpt #: 251 total cpu time spent up to now is 321.2 secs Computing kpt #: 252 total cpu time spent up to now is 322.4 secs Computing kpt #: 253 total cpu time spent up to now is 323.6 secs Computing kpt #: 254 total cpu time spent up to now is 324.7 secs Computing kpt #: 255 total cpu time spent up to now is 325.9 secs Computing kpt #: 256 total cpu time spent up to now is 327.1 secs Computing kpt #: 257 total cpu time spent up to now is 328.3 secs Computing kpt #: 258 total cpu time spent up to now is 329.5 secs Computing kpt #: 259 total cpu time spent up to now is 330.7 secs Computing kpt #: 260 total cpu time spent up to now is 331.9 secs Computing kpt #: 261 total cpu time spent up to now is 333.1 secs Computing kpt #: 262 total cpu time spent up to now is 334.2 secs ethr = 1.85E-08, avg # of iterations = 38.0 total cpu time spent up to now is 334.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6789 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5708 -19.5241 -19.5241 -19.2236 -19.2236 -19.1635 -19.1635 -19.1447 -19.1447 -19.1183 -19.1183 -11.7449 -11.7449 -11.7436 -11.7436 -11.7413 -11.7413 -11.7391 -11.7391 -11.3365 -11.3365 -11.3342 -11.3342 -11.2455 -11.2455 -11.2441 -11.2441 -11.2370 -11.2370 -11.2355 -11.2355 -5.6074 -5.6074 -4.7275 -4.7275 -1.2605 -1.2605 -0.9868 -0.9868 -0.5459 -0.5459 -0.4282 -0.4282 0.1455 0.1455 0.5348 0.5348 2.9313 2.9313 3.8669 3.8669 5.6530 5.6530 5.7058 5.7058 5.7425 5.7425 6.2968 6.2969 k = 0.0000 0.0000 0.0138 ( 6784 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5708 -19.5241 -19.5241 -19.2236 -19.2236 -19.1635 -19.1635 -19.1447 -19.1446 -19.1183 -19.1183 -11.7449 -11.7449 -11.7436 -11.7435 -11.7413 -11.7412 -11.7391 -11.7390 -11.3365 -11.3364 -11.3343 -11.3341 -11.2455 -11.2454 -11.2441 -11.2441 -11.2370 -11.2370 -11.2355 -11.2355 -5.6066 -5.6066 -4.7284 -4.7283 -1.2603 -1.2593 -0.9910 -0.9878 -0.5448 -0.5411 -0.4296 -0.4287 0.1431 0.1448 0.5336 0.5352 2.9334 2.9340 3.8675 3.8678 5.6517 5.6525 5.7047 5.7057 5.7441 5.7446 6.2951 6.2966 k = 0.0000 0.0000 0.0275 ( 6783 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5708 -19.5241 -19.5241 -19.2236 -19.2236 -19.1635 -19.1635 -19.1447 -19.1446 -19.1183 -19.1183 -11.7450 -11.7448 -11.7436 -11.7435 -11.7413 -11.7412 -11.7392 -11.7389 -11.3365 -11.3364 -11.3344 -11.3341 -11.2455 -11.2454 -11.2441 -11.2441 -11.2370 -11.2370 -11.2356 -11.2354 -5.6041 -5.6040 -4.7309 -4.7308 -1.2587 -1.2566 -0.9998 -0.9938 -0.5380 -0.5311 -0.4326 -0.4305 0.1377 0.1409 0.5316 0.5348 2.9402 2.9413 3.8698 3.8703 5.6488 5.6503 5.7029 5.7046 5.7490 5.7501 6.2916 6.2944 k = 0.0000 0.0000 0.0413 ( 6782 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5708 -19.5241 -19.5241 -19.2236 -19.2235 -19.1635 -19.1635 -19.1447 -19.1446 -19.1183 -19.1183 -11.7450 -11.7448 -11.7436 -11.7434 -11.7413 -11.7412 -11.7393 -11.7389 -11.3366 -11.3364 -11.3345 -11.3340 -11.2455 -11.2454 -11.2441 -11.2440 -11.2370 -11.2370 -11.2356 -11.2354 -5.5999 -5.5998 -4.7350 -4.7349 -1.2557 -1.2524 -1.0125 -1.0042 -0.5271 -0.5183 -0.4363 -0.4323 0.1292 0.1340 0.5288 0.5335 2.9515 2.9532 3.8736 3.8744 5.6452 5.6470 5.7007 5.7028 5.7560 5.7577 6.2867 6.2909 k = 0.0000 0.0000 0.0551 ( 6779 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5708 -19.5241 -19.5241 -19.2236 -19.2235 -19.1635 -19.1635 -19.1447 -19.1446 -19.1184 -19.1183 -11.7451 -11.7448 -11.7436 -11.7434 -11.7413 -11.7412 -11.7393 -11.7388 -11.3366 -11.3363 -11.3345 -11.3339 -11.2454 -11.2454 -11.2442 -11.2440 -11.2371 -11.2369 -11.2356 -11.2353 -5.5940 -5.5940 -4.7408 -4.7406 -1.2514 -1.2470 -1.0278 -1.0179 -0.5159 -0.5070 -0.4380 -0.4305 0.1179 0.1243 0.5252 0.5314 2.9670 2.9693 3.8789 3.8800 5.6413 5.6433 5.6983 5.7007 5.7643 5.7665 6.2812 6.2866 k = 0.0000 0.0000 0.0689 ( 6774 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5708 -19.5241 -19.5241 -19.2236 -19.2235 -19.1635 -19.1635 -19.1447 -19.1445 -19.1184 -19.1183 -11.7451 -11.7448 -11.7436 -11.7433 -11.7413 -11.7411 -11.7394 -11.7388 -11.3366 -11.3363 -11.3346 -11.3338 -11.2454 -11.2454 -11.2442 -11.2440 -11.2371 -11.2369 -11.2357 -11.2353 -5.5865 -5.5865 -4.7482 -4.7479 -1.2459 -1.2402 -1.0448 -1.0338 -0.5104 -0.5031 -0.4326 -0.4202 0.1041 0.1119 0.5208 0.5284 2.9863 2.9891 3.8858 3.8871 5.6379 5.6400 5.6957 5.6982 5.7730 5.7757 6.2759 6.2823 k = 0.0000 0.0000 0.0826 ( 6768 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5707 -19.5241 -19.5241 -19.2235 -19.2235 -19.1635 -19.1635 -19.1447 -19.1445 -19.1184 -19.1184 -11.7452 -11.7447 -11.7436 -11.7432 -11.7412 -11.7411 -11.7394 -11.7387 -11.3367 -11.3363 -11.3346 -11.3337 -11.2454 -11.2454 -11.2442 -11.2440 -11.2371 -11.2369 -11.2357 -11.2353 -5.5775 -5.5775 -4.7571 -4.7568 -1.2392 -1.2323 -1.0624 -1.0508 -0.5147 -0.5087 -0.4167 -0.4003 0.0882 0.0973 0.5155 0.5244 3.0090 3.0122 3.8941 3.8957 5.6353 5.6374 5.6930 5.6955 5.7818 5.7848 6.2714 6.2787 k = 0.0000 0.0000 0.0964 ( 6772 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5707 -19.5242 -19.5242 -19.2235 -19.2235 -19.1636 -19.1635 -19.1447 -19.1444 -19.1185 -19.1184 -11.7452 -11.7448 -11.7436 -11.7432 -11.7412 -11.7411 -11.7395 -11.7387 -11.3367 -11.3363 -11.3346 -11.3336 -11.2454 -11.2454 -11.2442 -11.2440 -11.2371 -11.2369 -11.2357 -11.2353 -5.5669 -5.5669 -4.7676 -4.7672 -1.2317 -1.2234 -1.0797 -1.0681 -0.5266 -0.5210 -0.3930 -0.3742 0.0703 0.0809 0.5094 0.5195 3.0344 3.0379 3.9039 3.9056 5.6338 5.6357 5.6900 5.6926 5.7901 5.7934 6.2684 6.2766 k = 0.0000 0.0000 0.1102 ( 6771 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5708 -19.5707 -19.5242 -19.5242 -19.2235 -19.2234 -19.1636 -19.1635 -19.1446 -19.1444 -19.1186 -19.1185 -11.7453 -11.7448 -11.7436 -11.7431 -11.7413 -11.7411 -11.7395 -11.7387 -11.3368 -11.3363 -11.3346 -11.3336 -11.2454 -11.2454 -11.2442 -11.2440 -11.2371 -11.2369 -11.2358 -11.2352 -5.5549 -5.5548 -4.7795 -4.7791 -1.2237 -1.2137 -1.0961 -1.0848 -0.5430 -0.5374 -0.3653 -0.3453 0.0512 0.0630 0.5022 0.5135 3.0619 3.0658 3.9149 3.9167 5.6335 5.6353 5.6870 5.6896 5.7978 5.8013 6.2676 6.2764 k = 0.0000 0.0000 0.1239 ( 6764 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5708 -19.5707 -19.5242 -19.5242 -19.2235 -19.2234 -19.1636 -19.1635 -19.1446 -19.1444 -19.1186 -19.1185 -11.7453 -11.7448 -11.7435 -11.7431 -11.7412 -11.7411 -11.7396 -11.7387 -11.3368 -11.3363 -11.3346 -11.3335 -11.2454 -11.2454 -11.2442 -11.2440 -11.2371 -11.2369 -11.2358 -11.2352 -5.5414 -5.5413 -4.7929 -4.7925 -1.2156 -1.2037 -1.1106 -1.1002 -0.5622 -0.5562 -0.3360 -0.3153 0.0314 0.0445 0.4942 0.5065 3.0910 3.0951 3.9271 3.9290 5.6345 5.6362 5.6839 5.6864 5.8048 5.8084 6.2693 6.2787 k = 0.0000 0.0000 0.1377 ( 6765 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5707 -19.5707 -19.5242 -19.5242 -19.2235 -19.2234 -19.1636 -19.1635 -19.1446 -19.1443 -19.1187 -19.1186 -11.7453 -11.7448 -11.7435 -11.7430 -11.7413 -11.7411 -11.7396 -11.7386 -11.3368 -11.3364 -11.3346 -11.3334 -11.2454 -11.2453 -11.2442 -11.2440 -11.2371 -11.2369 -11.2358 -11.2352 -5.5265 -5.5265 -4.8077 -4.8072 -1.2082 -1.1941 -1.1224 -1.1134 -0.5831 -0.5765 -0.3067 -0.2860 0.0118 0.0261 0.4851 0.4984 3.1210 3.1253 3.9402 3.9421 5.6367 5.6383 5.6808 5.6832 5.8111 5.8146 6.2739 6.2836 k = 0.0000 0.0000 0.1515 ( 6768 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5707 -19.5706 -19.5243 -19.5243 -19.2235 -19.2234 -19.1636 -19.1635 -19.1446 -19.1443 -19.1187 -19.1186 -11.7454 -11.7449 -11.7435 -11.7430 -11.7413 -11.7411 -11.7396 -11.7387 -11.3369 -11.3364 -11.3346 -11.3334 -11.2454 -11.2453 -11.2442 -11.2440 -11.2371 -11.2369 -11.2358 -11.2352 -5.5105 -5.5104 -4.8237 -4.8233 -1.2027 -1.1862 -1.1301 -1.1231 -0.6049 -0.5976 -0.2790 -0.2591 -0.0062 0.0092 0.4749 0.4892 3.1514 3.1558 3.9540 3.9559 5.6400 5.6415 5.6777 5.6800 5.8168 5.8202 6.2815 6.2909 k = 0.0000 0.0000 0.1653 ( 6771 PWs) bands (ev): -38.2961 -38.2961 -38.2822 -38.2822 -19.5707 -19.5706 -19.5243 -19.5243 -19.2235 -19.2234 -19.1637 -19.1636 -19.1445 -19.1443 -19.1188 -19.1187 -11.7454 -11.7449 -11.7434 -11.7430 -11.7413 -11.7411 -11.7397 -11.7387 -11.3369 -11.3365 -11.3345 -11.3334 -11.2454 -11.2453 -11.2443 -11.2440 -11.2372 -11.2369 -11.2359 -11.2352 -5.4932 -5.4931 -4.8409 -4.8404 -1.2001 -1.1820 -1.1324 -1.1277 -0.6270 -0.6190 -0.2549 -0.2366 -0.0207 -0.0042 0.4636 0.4787 3.1816 3.1860 3.9683 3.9701 5.6444 5.6457 5.6747 5.6768 5.8219 5.8253 6.2914 6.2966 k = 0.0000 0.0000 0.1790 ( 6765 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5707 -19.5706 -19.5243 -19.5243 -19.2234 -19.2233 -19.1637 -19.1636 -19.1445 -19.1442 -19.1188 -19.1187 -11.7454 -11.7450 -11.7434 -11.7429 -11.7413 -11.7411 -11.7397 -11.7387 -11.3369 -11.3365 -11.3345 -11.3334 -11.2454 -11.2453 -11.2443 -11.2440 -11.2372 -11.2369 -11.2358 -11.2352 -5.4750 -5.4749 -4.8592 -4.8587 -1.2007 -1.1824 -1.1294 -1.1263 -0.6487 -0.6400 -0.2370 -0.2217 -0.0289 -0.0113 0.4512 0.4671 3.2111 3.2155 3.9826 3.9843 5.6496 5.6507 5.6718 5.6738 5.8266 5.8299 6.2852 6.2863 k = 0.0000 0.0000 0.1928 ( 6769 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5707 -19.5706 -19.5244 -19.5244 -19.2234 -19.2233 -19.1637 -19.1636 -19.1445 -19.1442 -19.1189 -19.1188 -11.7455 -11.7450 -11.7434 -11.7429 -11.7413 -11.7411 -11.7396 -11.7387 -11.3370 -11.3366 -11.3344 -11.3334 -11.2454 -11.2453 -11.2443 -11.2440 -11.2372 -11.2369 -11.2358 -11.2352 -5.4559 -5.4558 -4.8784 -4.8779 -1.2032 -1.1859 -1.1236 -1.1200 -0.6694 -0.6600 -0.2279 -0.2169 -0.0281 -0.0095 0.4377 0.4543 3.2394 3.2438 3.9967 3.9983 5.6553 5.6561 5.6693 5.6708 5.8311 5.8341 6.2689 6.2697 k = 0.0000 0.0000 0.2066 ( 6762 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5244 -19.5244 -19.2234 -19.2233 -19.1637 -19.1636 -19.1444 -19.1442 -19.1189 -19.1189 -11.7455 -11.7451 -11.7433 -11.7428 -11.7413 -11.7411 -11.7396 -11.7387 -11.3370 -11.3366 -11.3343 -11.3333 -11.2454 -11.2453 -11.2443 -11.2441 -11.2371 -11.2369 -11.2358 -11.2352 -5.4361 -5.4359 -4.8982 -4.8977 -1.2060 -1.1901 -1.1166 -1.1116 -0.6884 -0.6785 -0.2287 -0.2220 -0.0178 0.0021 0.4230 0.4402 3.2663 3.2704 4.0103 4.0118 5.6603 5.6617 5.6675 5.6684 5.8353 5.8381 6.2530 6.2536 k = 0.0000 0.0000 0.2203 ( 6769 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5244 -19.5244 -19.2234 -19.2233 -19.1637 -19.1636 -19.1444 -19.1442 -19.1190 -19.1189 -11.7455 -11.7451 -11.7433 -11.7428 -11.7413 -11.7411 -11.7396 -11.7387 -11.3370 -11.3367 -11.3343 -11.3333 -11.2454 -11.2453 -11.2443 -11.2441 -11.2372 -11.2369 -11.2358 -11.2352 -5.4158 -5.4156 -4.9186 -4.9181 -1.2083 -1.1938 -1.1096 -1.1035 -0.7052 -0.6949 -0.2382 -0.2342 0.0003 0.0213 0.4072 0.4250 3.2913 3.2952 4.0230 4.0244 5.6614 5.6645 5.6682 5.6706 5.8392 5.8418 6.2381 6.2387 k = 0.0000 0.0000 0.2341 ( 6769 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5244 -19.5244 -19.2233 -19.2233 -19.1637 -19.1637 -19.1444 -19.1442 -19.1190 -19.1190 -11.7455 -11.7452 -11.7432 -11.7428 -11.7413 -11.7411 -11.7395 -11.7388 -11.3371 -11.3368 -11.3342 -11.3333 -11.2454 -11.2453 -11.2443 -11.2441 -11.2372 -11.2369 -11.2358 -11.2352 -5.3953 -5.3952 -4.9392 -4.9387 -1.2096 -1.1964 -1.1034 -1.0966 -0.7192 -0.7088 -0.2533 -0.2501 0.0236 0.0451 0.3903 0.4086 3.3141 3.3177 4.0348 4.0359 5.6598 5.6621 5.6740 5.6757 5.8428 5.8451 6.2246 6.2252 k = 0.0000 0.0000 0.2479 ( 6766 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5245 -19.5244 -19.2233 -19.2233 -19.1637 -19.1637 -19.1444 -19.1442 -19.1191 -19.1190 -11.7455 -11.7452 -11.7432 -11.7428 -11.7413 -11.7412 -11.7395 -11.7388 -11.3371 -11.3368 -11.3341 -11.3334 -11.2454 -11.2453 -11.2443 -11.2441 -11.2371 -11.2370 -11.2357 -11.2352 -5.3750 -5.3749 -4.9596 -4.9592 -1.2096 -1.1978 -1.0987 -1.0916 -0.7300 -0.7199 -0.2712 -0.2677 0.0496 0.0714 0.3725 0.3910 3.3345 3.3377 4.0452 4.0462 5.6579 5.6597 5.6796 5.6809 5.8461 5.8481 6.2126 6.2132 k = 0.0000 0.0000 0.2617 ( 6756 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2232 -19.1637 -19.1637 -19.1443 -19.1442 -19.1191 -19.1190 -11.7455 -11.7453 -11.7431 -11.7428 -11.7413 -11.7412 -11.7394 -11.7388 -11.3371 -11.3368 -11.3340 -11.3334 -11.2454 -11.2453 -11.2443 -11.2441 -11.2371 -11.2370 -11.2357 -11.2353 -5.3553 -5.3552 -4.9793 -4.9789 -1.2084 -1.1981 -1.0957 -1.0888 -0.7375 -0.7282 -0.2891 -0.2854 0.0768 0.0984 0.3538 0.3725 3.3522 3.3550 4.0542 4.0550 5.6561 5.6575 5.6846 5.6856 5.8489 5.8506 6.2024 6.2029 k = 0.0000 0.0000 0.2754 ( 6758 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2232 -19.1637 -19.1637 -19.1443 -19.1441 -19.1191 -19.1191 -11.7455 -11.7453 -11.7431 -11.7428 -11.7413 -11.7412 -11.7394 -11.7389 -11.3371 -11.3369 -11.3340 -11.3334 -11.2453 -11.2453 -11.2443 -11.2441 -11.2371 -11.2370 -11.2356 -11.2353 -5.3370 -5.3368 -4.9978 -4.9975 -1.2063 -1.1976 -1.0943 -1.0881 -0.7420 -0.7338 -0.3058 -0.3022 0.1041 0.1252 0.3345 0.3531 3.3670 3.3693 4.0617 4.0623 5.6545 5.6556 5.6889 5.6897 5.8512 5.8526 6.1938 6.1943 k = 0.0000 0.0000 0.2892 ( 6756 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2232 -19.1637 -19.1637 -19.1442 -19.1441 -19.1191 -19.1191 -11.7455 -11.7453 -11.7430 -11.7428 -11.7413 -11.7412 -11.7393 -11.7389 -11.3371 -11.3369 -11.3339 -11.3335 -11.2453 -11.2453 -11.2443 -11.2442 -11.2371 -11.2370 -11.2356 -11.2353 -5.3207 -5.3206 -5.0141 -5.0138 -1.2036 -1.1967 -1.0941 -1.0889 -0.7440 -0.7374 -0.3198 -0.3167 0.1305 0.1503 0.3155 0.3333 3.3788 3.3806 4.0676 4.0680 5.6532 5.6540 5.6924 5.6930 5.8531 5.8542 6.1871 6.1876 k = 0.0000 0.0000 0.3030 ( 6759 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2232 -19.1638 -19.1637 -19.1442 -19.1441 -19.1192 -19.1191 -11.7455 -11.7454 -11.7430 -11.7428 -11.7413 -11.7412 -11.7392 -11.7390 -11.3371 -11.3370 -11.3338 -11.3335 -11.2453 -11.2453 -11.2442 -11.2442 -11.2371 -11.2370 -11.2355 -11.2354 -5.3077 -5.3076 -5.0271 -5.0269 -1.2007 -1.1959 -1.0944 -1.0907 -0.7442 -0.7396 -0.3304 -0.3281 0.1551 0.1721 0.2982 0.3139 3.3874 3.3886 4.0718 4.0721 5.6523 5.6528 5.6950 5.6954 5.8544 5.8551 6.1824 6.1827 k = 0.0000 0.0000 0.3167 ( 6754 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2232 -19.2232 -19.1637 -19.1637 -19.1442 -19.1442 -19.1191 -19.1191 -11.7455 -11.7454 -11.7429 -11.7428 -11.7413 -11.7412 -11.7391 -11.7390 -11.3370 -11.3370 -11.3337 -11.3336 -11.2453 -11.2453 -11.2442 -11.2442 -11.2371 -11.2370 -11.2355 -11.2354 -5.2992 -5.2991 -5.0356 -5.0355 -1.1982 -1.1957 -1.0945 -1.0926 -0.7435 -0.7411 -0.3368 -0.3356 0.1756 0.1866 0.2862 0.2965 3.3928 3.3934 4.0744 4.0745 5.6518 5.6520 5.6966 5.6968 5.8553 5.8557 6.1795 6.1797 k = 0.0000 0.0000 0.3305 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2233 -19.1637 -19.1637 -19.1442 -19.1442 -19.1191 -19.1191 -11.7455 -11.7455 -11.7429 -11.7429 -11.7413 -11.7413 -11.7391 -11.7391 -11.3370 -11.3370 -11.3336 -11.3336 -11.2453 -11.2453 -11.2442 -11.2442 -11.2371 -11.2371 -11.2355 -11.2355 -5.2962 -5.2962 -5.0386 -5.0386 -1.1964 -1.1964 -1.0940 -1.0940 -0.7423 -0.7423 -0.3386 -0.3386 0.1880 0.1880 0.2855 0.2855 3.3948 3.3948 4.0753 4.0753 5.6517 5.6517 5.6972 5.6972 5.8557 5.8557 6.1786 6.1786 k = 0.0000 0.0000 0.3305 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2233 -19.1637 -19.1637 -19.1442 -19.1442 -19.1191 -19.1191 -11.7455 -11.7455 -11.7429 -11.7429 -11.7413 -11.7413 -11.7391 -11.7391 -11.3370 -11.3370 -11.3336 -11.3336 -11.2453 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6.1815 6.1829 k = 0.0000 0.0540 0.3305 ( 6761 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2232 -19.1638 -19.1637 -19.1442 -19.1441 -19.1192 -19.1191 -11.7456 -11.7453 -11.7431 -11.7427 -11.7415 -11.7410 -11.7393 -11.7389 -11.3373 -11.3368 -11.3337 -11.3336 -11.2454 -11.2453 -11.2443 -11.2441 -11.2372 -11.2369 -11.2356 -11.2354 -5.2878 -5.2877 -5.0382 -5.0381 -1.3471 -1.3407 -1.0156 -1.0034 -0.7333 -0.7240 -0.3015 -0.2957 0.1873 0.1890 0.2843 0.2898 3.3883 3.3906 4.0861 4.0867 5.6453 5.6461 5.6697 5.6700 5.8858 5.8902 6.1841 6.1858 k = 0.0000 0.0675 0.3305 ( 6753 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2233 -19.1638 -19.1637 -19.1442 -19.1441 -19.1192 -19.1191 -11.7456 -11.7452 -11.7432 -11.7427 -11.7416 -11.7410 -11.7393 -11.7388 -11.3373 -11.3367 -11.3338 -11.3336 -11.2454 -11.2453 -11.2443 -11.2441 -11.2373 -11.2369 -11.2356 -11.2354 -5.2831 -5.2831 -5.0380 -5.0379 -1.3930 -1.3869 -1.0136 -1.0018 -0.7133 -0.7038 -0.2828 -0.2760 0.1871 0.1892 0.2846 0.2914 3.3854 3.3882 4.0918 4.0925 5.6408 5.6425 5.6578 5.6586 5.9011 5.9060 6.1875 6.1894 k = 0.0000 0.0810 0.3305 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2233 -19.1639 -19.1637 -19.1442 -19.1440 -19.1192 -19.1191 -11.7456 -11.7452 -11.7433 -11.7427 -11.7416 -11.7410 -11.7394 -11.7388 -11.3373 -11.3366 -11.3338 -11.3336 -11.2454 -11.2453 -11.2443 -11.2441 -11.2373 -11.2369 -11.2356 -11.2354 -5.2776 -5.2775 -5.0379 -5.0377 -1.4380 -1.4322 -1.0239 -1.0131 -0.6842 -0.6752 -0.2620 -0.2543 0.1868 0.1893 0.2850 0.2931 3.3822 3.3854 4.0983 4.0991 5.6338 5.6366 5.6463 5.6485 5.9183 5.9235 6.1917 6.1937 k = 0.0000 0.0945 0.3305 ( 6753 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2233 -19.1639 -19.1637 -19.1442 -19.1440 -19.1192 -19.1191 -11.7456 -11.7451 -11.7433 -11.7427 -11.7417 -11.7409 -11.7394 -11.7387 -11.3373 -11.3365 -11.3339 -11.3336 -11.2454 -11.2453 -11.2443 -11.2440 -11.2373 -11.2368 -11.2356 -11.2353 -5.2712 -5.2711 -5.0377 -5.0375 -1.4815 -1.4760 -1.0438 -1.0343 -0.6489 -0.6407 -0.2396 -0.2311 0.1866 0.1893 0.2856 0.2950 3.3789 3.3825 4.1054 4.1063 5.6231 5.6260 5.6385 5.6408 5.9371 5.9426 6.1965 6.1986 k = 0.0000 0.1080 0.3305 ( 6753 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5245 -19.2234 -19.2233 -19.1639 -19.1638 -19.1442 -19.1440 -19.1192 -19.1191 -11.7456 -11.7450 -11.7434 -11.7427 -11.7418 -11.7409 -11.7394 -11.7387 -11.3374 -11.3365 -11.3339 -11.3337 -11.2454 -11.2453 -11.2443 -11.2440 -11.2374 -11.2368 -11.2357 -11.2353 -5.2641 -5.2639 -5.0376 -5.0373 -1.5232 -1.5180 -1.0707 -1.0621 -0.6105 -0.6029 -0.2163 -0.2069 0.1862 0.1892 0.2864 0.2970 3.3756 3.3796 4.1130 4.1139 5.6104 5.6128 5.6327 5.6345 5.9572 5.9628 6.2018 6.2040 k = 0.0000 0.1215 0.3305 ( 6751 PWs) bands (ev): -38.2960 -38.2960 -38.2822 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0.3015 3.3699 3.3744 4.1283 4.1293 5.5840 5.5861 5.6207 5.6219 6.0002 6.0058 6.2133 6.2162 k = 0.0000 0.1485 0.3305 ( 6744 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5245 -19.2234 -19.2233 -19.1640 -19.1638 -19.1442 -19.1438 -19.1191 -19.1190 -11.7456 -11.7449 -11.7436 -11.7427 -11.7419 -11.7409 -11.7394 -11.7386 -11.3374 -11.3363 -11.3341 -11.3337 -11.2454 -11.2453 -11.2442 -11.2439 -11.2375 -11.2367 -11.2357 -11.2353 -5.2395 -5.2393 -5.0373 -5.0370 -1.6334 -1.6292 -1.1729 -1.1664 -0.4947 -0.4881 -0.1430 -0.1310 0.1845 0.1881 0.2899 0.3039 3.3676 3.3723 4.1357 4.1367 5.5715 5.5737 5.6142 5.6151 6.0225 6.0279 6.2192 6.2228 k = 0.0000 0.1620 0.3305 ( 6754 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5246 -19.5246 -19.2234 -19.2234 -19.1640 -19.1638 -19.1442 -19.1438 -19.1192 -19.1191 -11.7456 -11.7449 -11.7437 -11.7427 -11.7420 -11.7409 -11.7394 -11.7386 -11.3374 -11.3362 -11.3342 -11.3338 -11.2454 -11.2453 -11.2442 -11.2439 -11.2375 -11.2367 -11.2358 -11.2353 -5.2308 -5.2306 -5.0371 -5.0368 -1.6645 -1.6605 -1.2103 -1.2044 -0.4596 -0.4530 -0.1180 -0.1053 0.1836 0.1876 0.2913 0.3064 3.3659 3.3708 4.1428 4.1437 5.5598 5.5622 5.6072 5.6079 6.0448 6.0500 6.2250 6.2295 k = 0.0000 0.1755 0.3305 ( 6748 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2234 -19.2234 -19.1640 -19.1638 -19.1441 -19.1438 -19.1192 -19.1190 -11.7455 -11.7448 -11.7437 -11.7427 -11.7420 -11.7409 -11.7394 -11.7386 -11.3374 -11.3362 -11.3342 -11.3338 -11.2454 -11.2453 -11.2442 -11.2438 -11.2375 -11.2367 -11.2358 -11.2353 -5.2223 -5.2221 -5.0366 -5.0363 -1.6922 -1.6885 -1.2483 -1.2428 -0.4273 -0.4206 -0.0931 -0.0797 0.1826 0.1871 0.2929 0.3090 3.3649 3.3698 4.1494 4.1502 5.5493 5.5518 5.6000 5.6005 6.0670 6.0718 6.2308 6.2363 k = 0.0000 0.1890 0.3305 ( 6762 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5247 -19.5246 -19.2235 -19.2234 -19.1641 -19.1639 -19.1441 -19.1438 -19.1192 -19.1191 -11.7456 -11.7448 -11.7438 -11.7428 -11.7421 -11.7410 -11.7394 -11.7386 -11.3374 -11.3361 -11.3343 -11.3339 -11.2454 -11.2454 -11.2442 -11.2439 -11.2376 -11.2368 -11.2358 -11.2353 -5.2143 -5.2141 -5.0358 -5.0355 -1.7166 -1.7132 -1.2862 -1.2811 -0.3983 -0.3912 -0.0684 -0.0546 0.1816 0.1868 0.2946 0.3116 3.3645 3.3694 4.1554 4.1562 5.5401 5.5427 5.5924 5.5927 6.0886 6.0929 6.2367 6.2430 k = 0.0000 0.2025 0.3305 ( 6767 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5247 -19.5246 -19.2235 -19.2234 -19.1641 -19.1639 -19.1441 -19.1438 -19.1192 -19.1191 -11.7455 -11.7448 -11.7439 -11.7429 -11.7421 -11.7410 -11.7393 -11.7386 -11.3374 -11.3361 -11.3344 -11.3339 -11.2455 -11.2454 -11.2442 -11.2438 -11.2376 -11.2368 -11.2358 -11.2353 -5.2071 -5.2069 -5.0343 -5.0341 -1.7375 -1.7343 -1.3236 -1.3190 -0.3727 -0.3653 -0.0442 -0.0303 0.1807 0.1869 0.2965 0.3143 3.3648 3.3697 4.1608 4.1615 5.5322 5.5350 5.5846 5.5847 6.1095 6.1132 6.2429 6.2499 k = 0.0000 0.2159 0.3305 ( 6763 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5247 -19.5246 -19.2235 -19.2235 -19.1641 -19.1640 -19.1441 -19.1438 -19.1192 -19.1190 -11.7455 -11.7448 -11.7439 -11.7429 -11.7421 -11.7410 -11.7393 -11.7386 -11.3374 -11.3361 -11.3345 -11.3340 -11.2455 -11.2454 -11.2442 -11.2438 -11.2376 -11.2368 -11.2358 -11.2353 -5.2012 -5.2009 -5.0320 -5.0318 -1.7547 -1.7518 -1.3602 -1.3559 -0.3505 -0.3428 -0.0209 -0.0075 0.1801 0.1877 0.2985 0.3170 3.3659 3.3706 4.1656 4.1663 5.5260 5.5288 5.5765 5.5766 6.1298 6.1327 6.2495 6.2569 k = 0.0000 0.2294 0.3305 ( 6763 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5246 -19.2235 -19.2235 -19.1641 -19.1640 -19.1441 -19.1437 -19.1191 -19.1190 -11.7454 -11.7448 -11.7439 -11.7429 -11.7422 -11.7411 -11.7392 -11.7386 -11.3374 -11.3360 -11.3345 -11.3340 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2368 -11.2358 -11.2353 -5.1969 -5.1966 -5.0285 -5.0283 -1.7681 -1.7655 -1.3956 -1.3917 -0.3319 -0.3238 0.0008 0.0132 0.1800 0.1898 0.3007 0.3197 3.3675 3.3722 4.1697 4.1703 5.5212 5.5242 5.5683 5.5685 6.1493 6.1513 6.2568 6.2643 k = 0.0000 0.2429 0.3305 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5246 -19.2235 -19.2235 -19.1642 -19.1640 -19.1440 -19.1437 -19.1191 -19.1190 -11.7454 -11.7448 -11.7439 -11.7430 -11.7422 -11.7411 -11.7392 -11.7386 -11.3374 -11.3360 -11.3345 -11.3340 -11.2454 -11.2454 -11.2441 -11.2438 -11.2376 -11.2368 -11.2358 -11.2353 -5.1946 -5.1943 -5.0236 -5.0235 -1.7778 -1.7754 -1.4295 -1.4259 -0.3167 -0.3083 0.0199 0.0310 0.1811 0.1935 0.3031 0.3225 3.3697 3.3742 4.1732 4.1737 5.5180 5.5209 5.5600 5.5605 6.1682 6.1693 6.2647 6.2722 k = 0.0000 0.2564 0.3305 ( 6763 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2236 -19.2235 -19.1642 -19.1640 -19.1440 -19.1437 -19.1191 -19.1190 -11.7454 -11.7449 -11.7439 -11.7430 -11.7422 -11.7412 -11.7392 -11.7386 -11.3373 -11.3360 -11.3346 -11.3340 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2369 -11.2358 -11.2353 -5.1945 -5.1942 -5.0173 -5.0172 -1.7836 -1.7815 -1.4616 -1.4583 -0.3048 -0.2962 0.0354 0.0452 0.1839 0.1994 0.3057 0.3251 3.3724 3.3767 4.1761 4.1765 5.5160 5.5187 5.5520 5.5527 6.1861 6.1877 6.2734 6.2805 k = 0.0000 0.2699 0.3305 ( 6763 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2236 -19.2236 -19.1642 -19.1640 -19.1440 -19.1437 -19.1191 -19.1190 -11.7453 -11.7449 -11.7439 -11.7431 -11.7422 -11.7412 -11.7391 -11.7386 -11.3373 -11.3360 -11.3346 -11.3341 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2369 -11.2357 -11.2353 -5.1966 -5.1964 -5.0095 -5.0094 -1.7858 -1.7838 -1.4916 -1.4886 -0.2960 -0.2873 0.0462 0.0556 0.1891 0.2077 0.3087 0.3277 3.3755 3.3796 4.1784 4.1787 5.5148 5.5172 5.5448 5.5457 6.2034 6.2067 6.2822 6.2889 k = 0.0000 0.2699 0.3305 ( 6763 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2236 -19.2236 -19.1642 -19.1640 -19.1440 -19.1437 -19.1191 -19.1190 -11.7453 -11.7449 -11.7439 -11.7431 -11.7422 -11.7412 -11.7391 -11.7386 -11.3373 -11.3360 -11.3346 -11.3341 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2369 -11.2357 -11.2353 -5.1966 -5.1964 -5.0095 -5.0094 -1.7858 -1.7838 -1.4916 -1.4886 -0.2960 -0.2873 0.0462 0.0556 0.1891 0.2077 0.3087 0.3277 3.3755 3.3796 4.1784 4.1787 5.5148 5.5172 5.5448 5.5457 6.2034 6.2067 6.2822 6.2889 k = 0.0000 0.2783 0.3197 ( 6761 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2236 -19.2236 -19.1642 -19.1641 -19.1440 -19.1437 -19.1191 -19.1190 -11.7453 -11.7449 -11.7438 -11.7431 -11.7422 -11.7413 -11.7390 -11.7386 -11.3372 -11.3361 -11.3346 -11.3341 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2370 -11.2357 -11.2353 -5.2042 -5.2040 -4.9933 -4.9932 -1.7880 -1.7864 -1.5363 -1.5335 -0.2872 -0.2792 0.0569 0.0666 0.2037 0.2250 0.3136 0.3340 3.3914 3.3950 4.1795 4.1797 5.5081 5.5103 5.5379 5.5388 6.2088 6.2128 6.2796 6.2859 k = 0.0000 0.2867 0.3090 ( 6755 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2236 -19.2236 -19.1642 -19.1641 -19.1439 -19.1437 -19.1190 -19.1190 -11.7452 -11.7449 -11.7438 -11.7432 -11.7421 -11.7414 -11.7390 -11.7386 -11.3371 -11.3362 -11.3346 -11.3341 -11.2455 -11.2454 -11.2440 -11.2438 -11.2375 -11.2370 -11.2357 -11.2353 -5.2108 -5.2106 -4.9790 -4.9789 -1.7870 -1.7858 -1.5775 -1.5750 -0.2795 -0.2724 0.0630 0.0722 0.2205 0.2430 0.3182 0.3392 3.4055 3.4085 4.1803 4.1805 5.5025 5.5046 5.5320 5.5329 6.2148 6.2193 6.2762 6.2821 k = 0.0000 0.2950 0.2982 ( 6750 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5246 -19.2236 -19.2236 -19.1642 -19.1641 -19.1439 -19.1437 -19.1190 -19.1189 -11.7452 -11.7449 -11.7437 -11.7432 -11.7421 -11.7415 -11.7389 -11.7386 -11.3370 -11.3362 -11.3346 -11.3341 -11.2454 -11.2454 -11.2440 -11.2438 -11.2375 -11.2371 -11.2356 -11.2354 -5.2163 -5.2161 -4.9669 -4.9669 -1.7826 -1.7817 -1.6152 -1.6128 -0.2729 -0.2669 0.0661 0.0741 0.2376 0.2598 0.3220 0.3427 3.4174 3.4199 4.1810 4.1811 5.4980 5.4999 5.5272 5.5280 6.2216 6.2263 6.2726 6.2781 k = 0.0000 0.3034 0.2875 ( 6749 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5246 -19.2237 -19.2236 -19.1642 -19.1641 -19.1439 -19.1437 -19.1190 -19.1190 -11.7452 -11.7449 -11.7437 -11.7433 -11.7420 -11.7416 -11.7389 -11.7386 -11.3370 -11.3363 -11.3345 -11.3342 -11.2454 -11.2454 -11.2439 -11.2438 -11.2375 -11.2371 -11.2356 -11.2354 -5.2206 -5.2205 -4.9573 -4.9573 -1.7749 -1.7742 -1.6491 -1.6470 -0.2674 -0.2627 0.0677 0.0740 0.2535 0.2738 0.3254 0.3445 3.4270 3.4289 4.1814 4.1816 5.4948 5.4962 5.5235 5.5242 6.2293 6.2339 6.2691 6.2747 k = 0.0000 0.3117 0.2767 ( 6752 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2237 -19.2237 -19.1641 -19.1641 -19.1438 -19.1438 -19.1190 -19.1189 -11.7451 -11.7450 -11.7436 -11.7434 -11.7420 -11.7417 -11.7388 -11.7386 -11.3369 -11.3364 -11.3345 -11.3342 -11.2454 -11.2454 -11.2439 -11.2438 -11.2374 -11.2372 -11.2355 -11.2354 -5.2237 -5.2236 -4.9504 -4.9503 -1.7638 -1.7630 -1.6791 -1.6772 -0.2632 -0.2600 0.0686 0.0729 0.2672 0.2833 0.3289 0.3441 3.4341 3.4354 4.1818 4.1818 5.4925 5.4935 5.5209 5.5214 6.2375 6.2414 6.2668 6.2730 k = 0.0000 0.3201 0.2659 ( 6751 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2237 -19.2237 -19.1641 -19.1641 -19.1438 -19.1438 -19.1190 -19.1190 -11.7451 -11.7450 -11.7436 -11.7434 -11.7419 -11.7417 -11.7388 -11.7387 -11.3367 -11.3365 -11.3344 -11.3343 -11.2454 -11.2454 -11.2439 -11.2439 -11.2374 -11.2373 -11.2355 -11.2355 -5.2256 -5.2255 -4.9461 -4.9461 -1.7496 -1.7487 -1.7046 -1.7031 -0.2603 -0.2586 0.0694 0.0716 0.2779 0.2869 0.3333 0.3419 3.4386 3.4392 4.1820 4.1820 5.4913 5.4919 5.5194 5.5197 6.2449 6.2472 6.2673 6.2746 k = 0.0000 0.3285 0.2552 ( 6748 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2237 -19.2237 -19.1641 -19.1641 -19.1438 -19.1438 -19.1190 -19.1190 -11.7450 -11.7450 -11.7435 -11.7435 -11.7418 -11.7418 -11.7387 -11.7387 -11.3366 -11.3366 -11.3344 -11.3344 -11.2454 -11.2454 -11.2439 -11.2439 -11.2373 -11.2373 -11.2355 -11.2355 -5.2262 -5.2262 -4.9447 -4.9447 -1.7373 -1.7373 -1.7196 -1.7196 -0.2588 -0.2588 0.0704 0.0704 0.2848 0.2848 0.3380 0.3380 3.4403 3.4403 4.1820 4.1820 5.4911 5.4911 5.5190 5.5190 6.2486 6.2486 6.2727 6.2727 k = 0.0000 0.3285 0.2552 ( 6748 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2237 -19.2237 -19.1641 -19.1641 -19.1438 -19.1438 -19.1190 -19.1190 -11.7450 -11.7450 -11.7435 -11.7435 -11.7418 -11.7418 -11.7387 -11.7387 -11.3366 -11.3366 -11.3344 -11.3344 -11.2454 -11.2454 -11.2439 -11.2439 -11.2373 -11.2373 -11.2355 -11.2355 -5.2262 -5.2262 -4.9447 -4.9447 -1.7373 -1.7373 -1.7196 -1.7196 -0.2588 -0.2588 0.0704 0.0704 0.2848 0.2848 0.3380 0.3380 3.4403 3.4403 4.1820 4.1820 5.4911 5.4911 5.5190 5.5190 6.2486 6.2486 6.2727 6.2728 k = 0.0135 0.3285 0.2552 ( 6754 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5707 -19.5706 -19.5247 -19.5247 -19.2238 -19.2235 -19.1644 -19.1640 -19.1439 -19.1436 -19.1191 -19.1188 -11.7451 -11.7450 -11.7435 -11.7435 -11.7418 -11.7418 -11.7388 -11.7387 -11.3367 -11.3366 -11.3344 -11.3343 -11.2455 -11.2454 -11.2439 -11.2438 -11.2373 -11.2373 -11.2356 -11.2354 -5.2255 -5.2254 -4.9441 -4.9440 -1.7369 -1.7363 -1.7191 -1.7185 -0.2596 -0.2585 0.0689 0.0691 0.2824 0.2843 0.3359 0.3367 3.4408 3.4410 4.1824 4.1825 5.4877 5.4880 5.5187 5.5194 6.2481 6.2494 6.2737 6.2744 k = 0.0270 0.3285 0.2552 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2823 -38.2823 -19.5707 -19.5706 -19.5249 -19.5248 -19.2239 -19.2234 -19.1647 -19.1640 -19.1440 -19.1435 -19.1192 -19.1187 -11.7452 -11.7450 -11.7436 -11.7434 -11.7419 -11.7417 -11.7388 -11.7387 -11.3367 -11.3366 -11.3345 -11.3343 -11.2455 -11.2454 -11.2440 -11.2438 -11.2374 -11.2373 -11.2357 -11.2353 -5.2232 -5.2231 -4.9423 -4.9421 -1.7351 -1.7338 -1.7171 -1.7159 -0.2611 -0.2588 0.0647 0.0650 0.2774 0.2812 0.3305 0.3320 3.4427 3.4430 4.1837 4.1837 5.4780 5.4785 5.5185 5.5199 6.2482 6.2504 6.2709 6.2712 k = 0.0405 0.3285 0.2552 ( 6754 PWs) bands (ev): -38.2960 -38.2960 -38.2823 -38.2823 -19.5707 -19.5705 -19.5251 -19.5249 -19.2240 -19.2232 -19.1652 -19.1640 -19.1440 -19.1433 -19.1193 -19.1186 -11.7452 -11.7450 -11.7437 -11.7434 -11.7419 -11.7417 -11.7388 -11.7386 -11.3368 -11.3366 -11.3346 -11.3342 -11.2455 -11.2454 -11.2440 -11.2437 -11.2374 -11.2372 -11.2357 -11.2352 -5.2195 -5.2193 -4.9392 -4.9390 -1.7318 -1.7298 -1.7137 -1.7118 -0.2631 -0.2596 0.0575 0.0578 0.2698 0.2756 0.3220 0.3243 3.4457 3.4463 4.1856 4.1856 5.4628 5.4635 5.5184 5.5205 6.2487 6.2516 6.2620 6.2624 k = 0.0541 0.3285 0.2552 ( 6748 PWs) bands (ev): -38.2959 -38.2959 -38.2823 -38.2823 -19.5707 -19.5705 -19.5254 -19.5251 -19.2240 -19.2230 -19.1657 -19.1642 -19.1440 -19.1430 -19.1195 -19.1185 -11.7452 -11.7450 -11.7437 -11.7434 -11.7419 -11.7416 -11.7389 -11.7386 -11.3369 -11.3366 -11.3347 -11.3342 -11.2454 -11.2453 -11.2440 -11.2436 -11.2373 -11.2372 -11.2358 -11.2351 -5.2142 -5.2139 -4.9349 -4.9346 -1.7271 -1.7245 -1.7087 -1.7063 -0.2658 -0.2612 0.0470 0.0473 0.2600 0.2680 0.3105 0.3136 3.4500 3.4507 4.1882 4.1883 5.4431 5.4440 5.5185 5.5212 6.2467 6.2501 6.2533 6.2537 k = 0.0676 0.3285 0.2552 ( 6744 PWs) bands (ev): -38.2958 -38.2958 -38.2824 -38.2824 -19.5707 -19.5704 -19.5258 -19.5254 -19.2241 -19.2228 -19.1663 -19.1644 -19.1440 -19.1428 -19.1196 -19.1184 -11.7453 -11.7449 -11.7438 -11.7434 -11.7419 -11.7416 -11.7389 -11.7386 -11.3369 -11.3366 -11.3348 -11.3342 -11.2454 -11.2452 -11.2440 -11.2436 -11.2373 -11.2371 -11.2358 -11.2350 -5.2075 -5.2071 -4.9294 -4.9291 -1.7210 -1.7177 -1.7023 -1.6993 -0.2694 -0.2637 0.0328 0.0331 0.2485 0.2587 0.2964 0.3003 3.4555 3.4564 4.1914 4.1915 5.4202 5.4212 5.5186 5.5220 6.2347 6.2367 6.2539 6.2553 k = 0.0811 0.3285 0.2552 ( 6740 PWs) bands (ev): -38.2957 -38.2957 -38.2824 -38.2824 -19.5707 -19.5704 -19.5263 -19.5258 -19.2241 -19.2226 -19.1670 -19.1648 -19.1440 -19.1425 -19.1197 -19.1183 -11.7453 -11.7449 -11.7439 -11.7434 -11.7419 -11.7415 -11.7389 -11.7386 -11.3370 -11.3366 -11.3349 -11.3341 -11.2454 -11.2451 -11.2440 -11.2435 -11.2373 -11.2370 -11.2358 -11.2349 -5.1992 -5.1989 -4.9228 -4.9224 -1.7135 -1.7095 -1.6945 -1.6908 -0.2740 -0.2671 0.0146 0.0147 0.2354 0.2480 0.2803 0.2851 3.4622 3.4633 4.1949 4.1950 5.3952 5.3963 5.5189 5.5228 6.2204 6.2226 6.2561 6.2577 k = 0.0946 0.3285 0.2552 ( 6754 PWs) bands (ev): -38.2956 -38.2956 -38.2825 -38.2825 -19.5707 -19.5703 -19.5268 -19.5263 -19.2241 -19.2223 -19.1678 -19.1653 -19.1439 -19.1422 -19.1199 -19.1183 -11.7454 -11.7449 -11.7440 -11.7434 -11.7420 -11.7415 -11.7390 -11.7386 -11.3372 -11.3367 -11.3350 -11.3342 -11.2453 -11.2451 -11.2440 -11.2434 -11.2373 -11.2370 -11.2359 -11.2348 -5.1896 -5.1892 -4.9150 -4.9145 -1.7047 -1.7000 -1.6853 -1.6810 -0.2798 -0.2718 -0.0080 -0.0079 0.2210 0.2356 0.2634 0.2685 3.4701 3.4713 4.1985 4.1986 5.3693 5.3703 5.5193 5.5238 6.2061 6.2087 6.2587 6.2605 k = 0.1081 0.3285 0.2552 ( 6742 PWs) bands (ev): -38.2955 -38.2955 -38.2825 -38.2825 -19.5706 -19.5702 -19.5274 -19.5268 -19.2240 -19.2221 -19.1686 -19.1659 -19.1437 -19.1419 -19.1200 -19.1182 -11.7454 -11.7449 -11.7440 -11.7434 -11.7419 -11.7414 -11.7390 -11.7386 -11.3372 -11.3367 -11.3351 -11.3342 -11.2453 -11.2450 -11.2440 -11.2433 -11.2372 -11.2369 -11.2359 -11.2346 -5.1786 -5.1781 -4.9061 -4.9056 -1.6945 -1.6892 -1.6747 -1.6697 -0.2870 -0.2780 -0.0353 -0.0350 0.2052 0.2203 0.2477 0.2518 3.4790 3.4804 4.2020 4.2023 5.3433 5.3444 5.5198 5.5248 6.1924 6.1956 6.2616 6.2635 k = 0.1216 0.3285 0.2552 ( 6742 PWs) bands (ev): -38.2954 -38.2954 -38.2826 -38.2826 -19.5706 -19.5702 -19.5281 -19.5275 -19.2240 -19.2218 -19.1695 -19.1665 -19.1436 -19.1415 -19.1202 -19.1182 -11.7455 -11.7449 -11.7441 -11.7435 -11.7419 -11.7414 -11.7391 -11.7386 -11.3373 -11.3367 -11.3353 -11.3342 -11.2452 -11.2449 -11.2439 -11.2432 -11.2372 -11.2368 -11.2359 -11.2345 -5.1661 -5.1656 -4.8962 -4.8956 -1.6831 -1.6771 -1.6629 -1.6572 -0.2961 -0.2860 -0.0670 -0.0665 0.1875 0.2014 0.2347 0.2358 3.4890 3.4905 4.2052 4.2055 5.3180 5.3191 5.5205 5.5259 6.1799 6.1837 6.2646 6.2665 k = 0.1351 0.3285 0.2552 ( 6744 PWs) bands (ev): -38.2952 -38.2952 -38.2827 -38.2827 -19.5706 -19.5701 -19.5289 -19.5281 -19.2239 -19.2215 -19.1705 -19.1673 -19.1434 -19.1412 -19.1204 -19.1182 -11.7456 -11.7449 -11.7442 -11.7435 -11.7419 -11.7413 -11.7392 -11.7386 -11.3375 -11.3368 -11.3354 -11.3343 -11.2452 -11.2448 -11.2439 -11.2431 -11.2372 -11.2367 -11.2359 -11.2344 -5.1524 -5.1517 -4.8853 -4.8846 -1.6705 -1.6638 -1.6498 -1.6435 -0.3072 -0.2962 -0.1029 -0.1023 0.1678 0.1798 0.2215 0.2241 3.5000 3.5016 4.2078 4.2082 5.2942 5.2952 5.5214 5.5272 6.1685 6.1732 6.2674 6.2693 k = 0.1486 0.3285 0.2552 ( 6748 PWs) bands (ev): -38.2951 -38.2951 -38.2828 -38.2828 -19.5705 -19.5700 -19.5297 -19.5289 -19.2237 -19.2211 -19.1716 -19.1681 -19.1431 -19.1408 -19.1206 -19.1182 -11.7456 -11.7450 -11.7443 -11.7436 -11.7419 -11.7413 -11.7392 -11.7386 -11.3376 -11.3368 -11.3356 -11.3343 -11.2451 -11.2448 -11.2439 -11.2430 -11.2371 -11.2367 -11.2359 -11.2343 -5.1373 -5.1366 -4.8734 -4.8727 -1.6568 -1.6492 -1.6356 -1.6285 -0.3209 -0.3090 -0.1426 -0.1419 0.1466 0.1571 0.2090 0.2150 3.5118 3.5136 4.2094 4.2100 5.2722 5.2733 5.5225 5.5286 6.1580 6.1637 6.2697 6.2711 k = 0.1622 0.3285 0.2552 ( 6754 PWs) bands (ev): -38.2949 -38.2949 -38.2829 -38.2829 -19.5705 -19.5699 -19.5306 -19.5297 -19.2236 -19.2208 -19.1727 -19.1690 -19.1429 -19.1404 -19.1207 -19.1183 -11.7457 -11.7450 -11.7444 -11.7436 -11.7419 -11.7413 -11.7393 -11.7387 -11.3378 -11.3369 -11.3357 -11.3344 -11.2451 -11.2447 -11.2438 -11.2429 -11.2371 -11.2366 -11.2359 -11.2342 -5.1211 -5.1203 -4.8607 -4.8599 -1.6419 -1.6336 -1.6203 -1.6125 -0.3375 -0.3249 -0.1856 -0.1849 0.1248 0.1343 0.1978 0.2067 3.5245 3.5263 4.2100 4.2107 5.2525 5.2536 5.5239 5.5302 6.1467 6.1540 6.2437 6.2446 k = 0.1757 0.3285 0.2552 ( 6758 PWs) bands (ev): -38.2947 -38.2947 -38.2830 -38.2830 -19.5704 -19.5697 -19.5315 -19.5306 -19.2234 -19.2204 -19.1738 -19.1700 -19.1426 -19.1400 -19.1209 -19.1183 -11.7458 -11.7450 -11.7445 -11.7437 -11.7419 -11.7412 -11.7393 -11.7387 -11.3379 -11.3370 -11.3359 -11.3345 -11.2450 -11.2446 -11.2438 -11.2428 -11.2370 -11.2365 -11.2359 -11.2340 -5.1037 -5.1028 -4.8472 -4.8463 -1.6260 -1.6169 -1.6040 -1.5954 -0.3574 -0.3442 -0.2315 -0.2307 0.1032 0.1124 0.1875 0.1990 3.5378 3.5398 4.2091 4.2100 5.2354 5.2365 5.5256 5.5320 6.1288 6.1382 6.2015 6.2040 k = 0.1892 0.3285 0.2552 ( 6764 PWs) bands (ev): -38.2945 -38.2945 -38.2831 -38.2831 -19.5703 -19.5696 -19.5325 -19.5315 -19.2232 -19.2200 -19.1751 -19.1710 -19.1423 -19.1396 -19.1212 -19.1184 -11.7458 -11.7451 -11.7446 -11.7437 -11.7419 -11.7412 -11.7394 -11.7387 -11.3380 -11.3371 -11.3360 -11.3346 -11.2449 -11.2445 -11.2438 -11.2427 -11.2369 -11.2364 -11.2359 -11.2339 -5.0851 -5.0842 -4.8330 -4.8320 -1.6092 -1.5993 -1.5867 -1.5774 -0.3808 -0.3671 -0.2797 -0.2788 0.0826 0.0920 0.1779 0.1915 3.5518 3.5538 4.2065 4.2076 5.2210 5.2221 5.5277 5.5342 6.0954 6.1044 6.1796 6.1816 k = 0.2027 0.3285 0.2552 ( 6774 PWs) bands (ev): -38.2943 -38.2943 -38.2833 -38.2833 -19.5702 -19.5695 -19.5335 -19.5325 -19.2230 -19.2196 -19.1763 -19.1721 -19.1420 -19.1392 -19.1214 -19.1185 -11.7459 -11.7451 -11.7447 -11.7438 -11.7419 -11.7412 -11.7395 -11.7388 -11.3382 -11.3372 -11.3362 -11.3347 -11.2449 -11.2444 -11.2437 -11.2427 -11.2369 -11.2363 -11.2358 -11.2338 -5.0655 -5.0646 -4.8182 -4.8172 -1.5916 -1.5807 -1.5687 -1.5586 -0.4081 -0.3939 -0.3297 -0.3285 0.0636 0.0736 0.1685 0.1841 3.5662 3.5682 4.2022 4.2035 5.2093 5.2105 5.5303 5.5368 6.0497 6.0570 6.1740 6.1744 k = 0.2162 0.3285 0.2552 ( 6770 PWs) bands (ev): -38.2941 -38.2941 -38.2834 -38.2834 -19.5701 -19.5693 -19.5346 -19.5335 -19.2227 -19.2191 -19.1776 -19.1732 -19.1417 -19.1387 -19.1216 -19.1186 -11.7460 -11.7452 -11.7448 -11.7439 -11.7419 -11.7411 -11.7395 -11.7389 -11.3383 -11.3373 -11.3363 -11.3348 -11.2448 -11.2443 -11.2436 -11.2426 -11.2368 -11.2362 -11.2357 -11.2337 -5.0450 -5.0440 -4.8029 -4.8018 -1.5732 -1.5614 -1.5500 -1.5391 -0.4391 -0.4246 -0.3809 -0.3793 0.0464 0.0574 0.1592 0.1766 3.5810 3.5830 4.1960 4.1976 5.2003 5.2015 5.5334 5.5399 6.0000 6.0061 6.1745 6.1751 k = 0.2297 0.3285 0.2552 ( 6772 PWs) bands (ev): -38.2939 -38.2939 -38.2835 -38.2835 -19.5699 -19.5691 -19.5357 -19.5346 -19.2223 -19.2186 -19.1789 -19.1744 -19.1413 -19.1382 -19.1219 -19.1188 -11.7460 -11.7452 -11.7448 -11.7439 -11.7419 -11.7411 -11.7396 -11.7389 -11.3384 -11.3374 -11.3365 -11.3349 -11.2447 -11.2442 -11.2436 -11.2425 -11.2367 -11.2361 -11.2357 -11.2336 -5.0236 -5.0226 -4.7873 -4.7860 -1.5541 -1.5414 -1.5307 -1.5189 -0.4741 -0.4591 -0.4324 -0.4303 0.0312 0.0435 0.1499 0.1690 3.5960 3.5981 4.1879 4.1897 5.1938 5.1951 5.5371 5.5436 5.9494 5.9549 6.1788 6.1800 k = 0.2432 0.3285 0.2552 ( 6770 PWs) bands (ev): -38.2937 -38.2937 -38.2837 -38.2837 -19.5697 -19.5688 -19.5368 -19.5357 -19.2219 -19.2181 -19.1802 -19.1757 -19.1409 -19.1378 -19.1222 -19.1190 -11.7461 -11.7452 -11.7449 -11.7439 -11.7418 -11.7411 -11.7397 -11.7390 -11.3386 -11.3375 -11.3366 -11.3350 -11.2447 -11.2442 -11.2435 -11.2424 -11.2366 -11.2360 -11.2356 -11.2335 -5.0015 -5.0003 -4.7713 -4.7700 -1.5345 -1.5209 -1.5110 -1.4984 -0.5130 -0.4982 -0.4827 -0.4805 0.0180 0.0317 0.1404 0.1611 3.6112 3.6132 4.1779 4.1799 5.1897 5.1910 5.5415 5.5478 5.8994 5.9043 6.1861 6.1876 k = 0.2568 0.3285 0.2552 ( 6772 PWs) bands (ev): -38.2934 -38.2934 -38.2839 -38.2839 -19.5695 -19.5686 -19.5380 -19.5368 -19.2215 -19.2175 -19.1816 -19.1769 -19.1405 -19.1373 -19.1225 -19.1192 -11.7461 -11.7453 -11.7450 -11.7440 -11.7418 -11.7410 -11.7397 -11.7391 -11.3387 -11.3377 -11.3367 -11.3351 -11.2446 -11.2441 -11.2434 -11.2423 -11.2365 -11.2359 -11.2355 -11.2334 -4.9787 -4.9775 -4.7552 -4.7539 -1.5145 -1.4999 -1.4910 -1.4775 -0.5563 -0.5442 -0.5288 -0.5283 0.0065 0.0218 0.1307 0.1529 3.6263 3.6283 4.1660 4.1683 5.1875 5.1889 5.5465 5.5527 5.8504 5.8551 6.1958 6.1975 k = 0.2703 0.3285 0.2552 ( 6774 PWs) bands (ev): -38.2931 -38.2931 -38.2840 -38.2840 -19.5693 -19.5683 -19.5392 -19.5380 -19.2211 -19.2169 -19.1830 -19.1782 -19.1400 -19.1367 -19.1228 -19.1194 -11.7461 -11.7453 -11.7450 -11.7441 -11.7418 -11.7410 -11.7398 -11.7391 -11.3388 -11.3378 -11.3368 -11.3352 -11.2445 -11.2440 -11.2434 -11.2423 -11.2364 -11.2358 -11.2353 -11.2333 -4.9553 -4.9540 -4.7392 -4.7377 -1.4943 -1.4786 -1.4710 -1.4565 -0.6031 -0.5945 -0.5747 -0.5711 -0.0034 0.0136 0.1207 0.1444 3.6414 3.6433 4.1526 4.1550 5.1871 5.1884 5.5522 5.5583 5.8030 5.8074 6.2035 6.2073 k = 0.2838 0.3285 0.2552 ( 6782 PWs) bands (ev): -38.2929 -38.2929 -38.2842 -38.2842 -19.5690 -19.5680 -19.5405 -19.5392 -19.2206 -19.2163 -19.1844 -19.1795 -19.1396 -19.1362 -19.1231 -19.1197 -11.7462 -11.7454 -11.7451 -11.7441 -11.7418 -11.7410 -11.7399 -11.7392 -11.3390 -11.3380 -11.3369 -11.3353 -11.2445 -11.2439 -11.2433 -11.2422 -11.2363 -11.2357 -11.2352 -11.2332 -4.9315 -4.9302 -4.7232 -4.7217 -1.4740 -1.4572 -1.4509 -1.4356 -0.6516 -0.6450 -0.6192 -0.6138 -0.0119 0.0068 0.1104 0.1356 3.6563 3.6581 4.1376 4.1403 5.1880 5.1893 5.5585 5.5646 5.7574 5.7617 6.1849 6.1878 k = 0.2973 0.3285 0.2552 ( 6792 PWs) bands (ev): -38.2926 -38.2926 -38.2844 -38.2844 -19.5687 -19.5677 -19.5417 -19.5404 -19.2200 -19.2157 -19.1858 -19.1809 -19.1391 -19.1357 -19.1235 -19.1200 -11.7462 -11.7454 -11.7452 -11.7442 -11.7418 -11.7410 -11.7399 -11.7393 -11.3391 -11.3382 -11.3369 -11.3355 -11.2444 -11.2439 -11.2432 -11.2422 -11.2362 -11.2356 -11.2351 -11.2332 -4.9075 -4.9061 -4.7076 -4.7061 -1.4537 -1.4359 -1.4312 -1.4149 -0.6999 -0.6944 -0.6630 -0.6568 -0.0193 0.0012 0.0997 0.1265 3.6709 3.6726 4.1213 4.1242 5.1899 5.1913 5.5652 5.5713 5.7140 5.7183 6.1634 6.1660 k = 0.3108 0.3285 0.2552 ( 6790 PWs) bands (ev): -38.2923 -38.2923 -38.2846 -38.2846 -19.5684 -19.5673 -19.5430 -19.5417 -19.2194 -19.2149 -19.1872 -19.1822 -19.1386 -19.1352 -19.1239 -19.1203 -11.7463 -11.7455 -11.7453 -11.7443 -11.7417 -11.7410 -11.7400 -11.7394 -11.3392 -11.3383 -11.3370 -11.3356 -11.2444 -11.2438 -11.2432 -11.2421 -11.2361 -11.2355 -11.2350 -11.2331 -4.8832 -4.8818 -4.6925 -4.6909 -1.4337 -1.4148 -1.4120 -1.3947 -0.7470 -0.7422 -0.7062 -0.6996 -0.0257 -0.0035 0.0888 0.1170 3.6852 3.6867 4.1041 4.1071 5.1927 5.1941 5.5717 5.5780 5.6736 5.6782 6.1408 6.1432 k = 0.3243 0.3285 0.2552 ( 6788 PWs) bands (ev): -38.2921 -38.2921 -38.2848 -38.2848 -19.5680 -19.5669 -19.5442 -19.5429 -19.2188 -19.2142 -19.1886 -19.1836 -19.1381 -19.1346 -19.1242 -19.1207 -11.7463 -11.7455 -11.7453 -11.7444 -11.7417 -11.7410 -11.7400 -11.7395 -11.3393 -11.3385 -11.3371 -11.3357 -11.2443 -11.2438 -11.2431 -11.2421 -11.2360 -11.2354 -11.2348 -11.2330 -4.8590 -4.8575 -4.6780 -4.6763 -1.4142 -1.3942 -1.3934 -1.3752 -0.7921 -0.7877 -0.7486 -0.7417 -0.0314 -0.0074 0.0777 0.1073 3.6991 3.7004 4.0860 4.0892 5.1961 5.1974 5.5753 5.5821 5.6387 5.6439 6.1176 6.1198 k = 0.3378 0.3285 0.2552 ( 6782 PWs) bands (ev): -38.2918 -38.2918 -38.2851 -38.2851 -19.5676 -19.5665 -19.5455 -19.5441 -19.2181 -19.2134 -19.1901 -19.1850 -19.1376 -19.1340 -19.1247 -19.1210 -11.7463 -11.7455 -11.7453 -11.7444 -11.7417 -11.7410 -11.7401 -11.7396 -11.3394 -11.3386 -11.3371 -11.3358 -11.2442 -11.2437 -11.2430 -11.2420 -11.2359 -11.2353 -11.2346 -11.2329 -4.8349 -4.8333 -4.6643 -4.6625 -1.3953 -1.3758 -1.3743 -1.3568 -0.8346 -0.8305 -0.7896 -0.7827 -0.0363 -0.0107 0.0664 0.0974 3.7127 3.7138 4.0674 4.0706 5.1999 5.2012 5.5678 5.5729 5.6204 5.6239 6.0939 6.0959 k = 0.3514 0.3285 0.2552 ( 6780 PWs) bands (ev): -38.2915 -38.2915 -38.2853 -38.2853 -19.5671 -19.5660 -19.5467 -19.5454 -19.2173 -19.2126 -19.1915 -19.1864 -19.1371 -19.1335 -19.1251 -19.1214 -11.7463 -11.7456 -11.7454 -11.7445 -11.7416 -11.7409 -11.7401 -11.7397 -11.3395 -11.3388 -11.3371 -11.3360 -11.2442 -11.2437 -11.2429 -11.2420 -11.2357 -11.2351 -11.2344 -11.2329 -4.8112 -4.8095 -4.6516 -4.6498 -1.3775 -1.3595 -1.3554 -1.3396 -0.8740 -0.8702 -0.8289 -0.8221 -0.0407 -0.0133 0.0550 0.0873 3.7258 3.7267 4.0484 4.0517 5.2041 5.2054 5.5438 5.5459 5.6231 5.6237 6.0699 6.0717 k = 0.3649 0.3285 0.2552 ( 6778 PWs) bands (ev): -38.2912 -38.2912 -38.2855 -38.2855 -19.5666 -19.5655 -19.5480 -19.5466 -19.2165 -19.2117 -19.1929 -19.1877 -19.1365 -19.1329 -19.1255 -19.1219 -11.7462 -11.7456 -11.7454 -11.7446 -11.7416 -11.7409 -11.7401 -11.7397 -11.3396 -11.3389 -11.3371 -11.3361 -11.2441 -11.2437 -11.2428 -11.2420 -11.2356 -11.2351 -11.2343 -11.2328 -4.7879 -4.7862 -4.6401 -4.6382 -1.3608 -1.3447 -1.3378 -1.3240 -0.9098 -0.9064 -0.8660 -0.8594 -0.0446 -0.0155 0.0435 0.0772 3.7386 3.7392 4.0292 4.0326 5.2087 5.2099 5.5139 5.5148 5.6325 5.6330 6.0456 6.0473 k = 0.3784 0.3285 0.2552 ( 6776 PWs) bands (ev): -38.2909 -38.2909 -38.2857 -38.2857 -19.5661 -19.5649 -19.5492 -19.5478 -19.2157 -19.2108 -19.1943 -19.1891 -19.1360 -19.1323 -19.1260 -19.1223 -11.7462 -11.7457 -11.7454 -11.7446 -11.7416 -11.7409 -11.7402 -11.7398 -11.3397 -11.3391 -11.3372 -11.3362 -11.2441 -11.2437 -11.2427 -11.2420 -11.2355 -11.2350 -11.2341 -11.2328 -4.7653 -4.7635 -4.6299 -4.6279 -1.3456 -1.3316 -1.3218 -1.3103 -0.9417 -0.9387 -0.9003 -0.8940 -0.0479 -0.0172 0.0322 0.0670 3.7511 3.7514 4.0102 4.0135 5.2136 5.2147 5.4839 5.4843 5.6446 5.6455 6.0212 6.0227 k = 0.3919 0.3285 0.2552 ( 6774 PWs) bands (ev): -38.2906 -38.2906 -38.2860 -38.2860 -19.5655 -19.5643 -19.5504 -19.5490 -19.2148 -19.2098 -19.1958 -19.1905 -19.1354 -19.1317 -19.1265 -19.1227 -11.7462 -11.7457 -11.7454 -11.7447 -11.7415 -11.7409 -11.7402 -11.7399 -11.3397 -11.3392 -11.3372 -11.3363 -11.2440 -11.2436 -11.2427 -11.2420 -11.2354 -11.2349 -11.2339 -11.2327 -4.7435 -4.7416 -4.6211 -4.6192 -1.3322 -1.3206 -1.3079 -1.2988 -0.9692 -0.9667 -0.9314 -0.9256 -0.0507 -0.0184 0.0211 0.0571 3.7633 3.7633 3.9913 3.9947 5.2189 5.2200 5.4552 5.4555 5.6586 5.6596 5.9967 5.9981 k = 0.4054 0.3285 0.2552 ( 6766 PWs) bands (ev): -38.2903 -38.2903 -38.2862 -38.2862 -19.5649 -19.5636 -19.5516 -19.5502 -19.2139 -19.2089 -19.1971 -19.1919 -19.1348 -19.1311 -19.1270 -19.1232 -11.7462 -11.7458 -11.7454 -11.7448 -11.7415 -11.7409 -11.7402 -11.7399 -11.3398 -11.3393 -11.3372 -11.3364 -11.2439 -11.2436 -11.2426 -11.2420 -11.2353 -11.2349 -11.2338 -11.2327 -4.7227 -4.7208 -4.6141 -4.6121 -1.3208 -1.3117 -1.2963 -1.2894 -0.9921 -0.9902 -0.9589 -0.9537 -0.0528 -0.0191 0.0103 0.0473 3.7751 3.7753 3.9728 3.9761 5.2248 5.2258 5.4283 5.4285 5.6740 5.6749 5.9723 5.9735 k = 0.4189 0.3285 0.2552 ( 6774 PWs) bands (ev): -38.2900 -38.2900 -38.2865 -38.2865 -19.5642 -19.5629 -19.5528 -19.5514 -19.2130 -19.2079 -19.1985 -19.1932 -19.1343 -19.1305 -19.1275 -19.1237 -11.7462 -11.7458 -11.7454 -11.7448 -11.7414 -11.7409 -11.7403 -11.7400 -11.3398 -11.3394 -11.3372 -11.3365 -11.2439 -11.2436 -11.2425 -11.2420 -11.2352 -11.2349 -11.2336 -11.2327 -4.7031 -4.7012 -4.6088 -4.6068 -1.3117 -1.3049 -1.2874 -1.2823 -1.0103 -1.0093 -0.9824 -0.9781 -0.0543 -0.0192 0.0000 0.0380 3.7867 3.7872 3.9548 3.9580 5.2313 5.2323 5.4032 5.4034 5.6905 5.6913 5.9479 5.9491 k = 0.4324 0.3285 0.2552 ( 6782 PWs) bands (ev): -38.2897 -38.2897 -38.2868 -38.2868 -19.5635 -19.5622 -19.5540 -19.5526 -19.2120 -19.2068 -19.1999 -19.1946 -19.1337 -19.1299 -19.1280 -19.1242 -11.7462 -11.7459 -11.7454 -11.7449 -11.7414 -11.7410 -11.7403 -11.7401 -11.3399 -11.3396 -11.3372 -11.3366 -11.2439 -11.2436 -11.2424 -11.2420 -11.2352 -11.2348 -11.2335 -11.2327 -4.6850 -4.6830 -4.6054 -4.6034 -1.3048 -1.3001 -1.2815 -1.2770 -1.0241 -1.0240 -1.0017 -0.9985 -0.0551 -0.0188 -0.0097 0.0291 3.7984 3.7991 3.9374 3.9405 5.2386 5.2395 5.3800 5.3803 5.7080 5.7087 5.9238 5.9247 k = 0.4459 0.3285 0.2552 ( 6784 PWs) bands (ev): -38.2894 -38.2894 -38.2870 -38.2870 -19.5628 -19.5614 -19.5551 -19.5537 -19.2109 -19.2057 -19.2012 -19.1959 -19.1331 -19.1293 -19.1286 -19.1248 -11.7462 -11.7459 -11.7454 -11.7450 -11.7413 -11.7410 -11.7403 -11.7402 -11.3399 -11.3396 -11.3371 -11.3367 -11.2438 -11.2436 -11.2424 -11.2420 -11.2351 -11.2348 -11.2334 -11.2328 -4.6683 -4.6663 -4.6041 -4.6020 -1.3001 -1.2968 -1.2780 -1.2735 -1.0348 -1.0339 -1.0168 -1.0149 -0.0551 -0.0186 -0.0176 0.0207 3.8102 3.8112 3.9207 3.9236 5.2468 5.2476 5.3587 5.3590 5.7265 5.7270 5.8999 5.9007 k = 0.4595 0.3285 0.2552 ( 6788 PWs) bands (ev): -38.2891 -38.2891 -38.2873 -38.2873 -19.5620 -19.5606 -19.5562 -19.5548 -19.2098 -19.2046 -19.2026 -19.1973 -19.1326 -19.1291 -19.1287 -19.1253 -11.7462 -11.7460 -11.7454 -11.7451 -11.7413 -11.7410 -11.7403 -11.7402 -11.3399 -11.3397 -11.3371 -11.3368 -11.2438 -11.2437 -11.2423 -11.2420 -11.2350 -11.2348 -11.2333 -11.2328 -4.6533 -4.6513 -4.6048 -4.6027 -1.2973 -1.2949 -1.2761 -1.2717 -1.0420 -1.0402 -1.0281 -1.0276 -0.0541 -0.0268 -0.0157 0.0131 3.8222 3.8235 3.9046 3.9074 5.2560 5.2568 5.3392 5.3396 5.7459 5.7462 5.8763 5.8770 k = 0.4730 0.3285 0.2552 ( 6784 PWs) bands (ev): -38.2888 -38.2888 -38.2876 -38.2876 -19.5611 -19.5598 -19.5573 -19.5559 -19.2087 -19.2039 -19.2035 -19.1985 -19.1320 -19.1297 -19.1281 -19.1258 -11.7461 -11.7460 -11.7453 -11.7451 -11.7412 -11.7411 -11.7403 -11.7403 -11.3399 -11.3398 -11.3371 -11.3369 -11.2438 -11.2437 -11.2422 -11.2421 -11.2350 -11.2348 -11.2332 -11.2328 -4.6402 -4.6381 -4.6076 -4.6055 -1.2957 -1.2939 -1.2749 -1.2714 -1.0461 -1.0437 -1.0368 -1.0360 -0.0522 -0.0339 -0.0131 0.0062 3.8345 3.8362 3.8893 3.8919 5.2663 5.2671 5.3215 5.3219 5.7661 5.7662 5.8532 5.8537 k = 0.4865 0.3285 0.2552 ( 6782 PWs) bands (ev): -38.2885 -38.2885 -38.2879 -38.2879 -19.5602 -19.5589 -19.5583 -19.5569 -19.2075 -19.2051 -19.2023 -19.1998 -19.1314 -19.1302 -19.1276 -19.1264 -11.7461 -11.7460 -11.7453 -11.7452 -11.7412 -11.7411 -11.7403 -11.7403 -11.3399 -11.3398 -11.3370 -11.3369 -11.2437 -11.2437 -11.2422 -11.2421 -11.2349 -11.2348 -11.2331 -11.2329 -4.6289 -4.6268 -4.6126 -4.6105 -1.2948 -1.2938 -1.2739 -1.2720 -1.0475 -1.0449 -1.0430 -1.0412 -0.0492 -0.0401 -0.0095 0.0001 3.8474 3.8492 3.8747 3.8770 5.2780 5.2786 5.3054 5.3059 5.7870 5.7870 5.8305 5.8309 k = 0.5000 0.3285 0.2552 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2063 -19.2063 -19.2011 -19.2011 -19.1308 -19.1308 -19.1270 -19.1270 -11.7461 -11.7461 -11.7452 -11.7452 -11.7411 -11.7411 -11.7403 -11.7403 -11.3399 -11.3399 -11.3370 -11.3370 -11.2437 -11.2437 -11.2421 -11.2421 -11.2349 -11.2349 -11.2330 -11.2330 -4.6197 -4.6197 -4.6176 -4.6176 -1.2941 -1.2941 -1.2729 -1.2729 -1.0465 -1.0465 -1.0441 -1.0441 -0.0452 -0.0452 -0.0052 -0.0052 3.8607 3.8607 3.8628 3.8628 5.2910 5.2910 5.2915 5.2915 5.8084 5.8084 5.8087 5.8087 k = 0.5000 0.3285 0.2552 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2063 -19.2063 -19.2011 -19.2011 -19.1308 -19.1308 -19.1270 -19.1270 -11.7461 -11.7461 -11.7452 -11.7452 -11.7411 -11.7411 -11.7403 -11.7403 -11.3399 -11.3399 -11.3370 -11.3370 -11.2437 -11.2437 -11.2421 -11.2421 -11.2349 -11.2349 -11.2330 -11.2330 -4.6197 -4.6197 -4.6176 -4.6176 -1.2941 -1.2941 -1.2729 -1.2729 -1.0465 -1.0465 -1.0441 -1.0441 -0.0452 -0.0452 -0.0052 -0.0052 3.8607 3.8607 3.8628 3.8628 5.2910 5.2910 5.2915 5.2915 5.8084 5.8084 5.8087 5.8087 k = 0.5000 0.3368 0.2444 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2063 -19.2063 -19.2011 -19.2011 -19.1308 -19.1308 -19.1270 -19.1270 -11.7461 -11.7461 -11.7452 -11.7452 -11.7412 -11.7411 -11.7403 -11.7403 -11.3399 -11.3399 -11.3370 -11.3370 -11.2437 -11.2437 -11.2422 -11.2421 -11.2349 -11.2349 -11.2330 -11.2330 -4.6199 -4.6199 -4.6178 -4.6178 -1.2974 -1.2974 -1.2758 -1.2758 -1.0456 -1.0453 -1.0376 -1.0373 -0.0452 -0.0451 -0.0051 -0.0051 3.8614 3.8615 3.8636 3.8636 5.2903 5.2903 5.2909 5.2909 5.8066 5.8066 5.8073 5.8074 k = 0.5000 0.3452 0.2337 ( 6788 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2011 -19.2011 -19.1308 -19.1308 -19.1270 -19.1270 -11.7461 -11.7460 -11.7453 -11.7452 -11.7412 -11.7411 -11.7404 -11.7402 -11.3399 -11.3398 -11.3370 -11.3370 -11.2437 -11.2437 -11.2422 -11.2421 -11.2349 -11.2349 -11.2330 -11.2330 -4.6204 -4.6203 -4.6182 -4.6182 -1.3065 -1.3065 -1.2841 -1.2840 -1.0378 -1.0376 -1.0234 -1.0232 -0.0450 -0.0450 -0.0049 -0.0049 3.8637 3.8637 3.8658 3.8659 5.2883 5.2883 5.2889 5.2889 5.8016 5.8016 5.8029 5.8029 k = 0.5000 0.3535 0.2229 ( 6792 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2011 -19.2011 -19.1308 -19.1308 -19.1270 -19.1270 -11.7461 -11.7460 -11.7453 -11.7452 -11.7413 -11.7411 -11.7404 -11.7402 -11.3399 -11.3398 -11.3370 -11.3370 -11.2438 -11.2437 -11.2422 -11.2421 -11.2349 -11.2349 -11.2330 -11.2330 -4.6212 -4.6211 -4.6191 -4.6190 -1.3197 -1.3197 -1.2966 -1.2965 -1.0238 -1.0235 -1.0042 -1.0040 -0.0447 -0.0447 -0.0047 -0.0047 3.8674 3.8674 3.8696 3.8696 5.2850 5.2850 5.2856 5.2857 5.7931 5.7931 5.7952 5.7952 k = 0.5000 0.3619 0.2121 ( 6794 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2011 -19.2011 -19.1308 -19.1308 -19.1270 -19.1270 -11.7461 -11.7460 -11.7453 -11.7451 -11.7414 -11.7411 -11.7405 -11.7402 -11.3399 -11.3398 -11.3371 -11.3370 -11.2438 -11.2437 -11.2422 -11.2421 -11.2349 -11.2348 -11.2331 -11.2330 -4.6223 -4.6222 -4.6202 -4.6201 -1.3354 -1.3353 -1.3119 -1.3118 -1.0050 -1.0047 -0.9815 -0.9813 -0.0445 -0.0444 -0.0044 -0.0044 3.8725 3.8725 3.8748 3.8748 5.2804 5.2804 5.2811 5.2812 5.7810 5.7810 5.7839 5.7839 k = 0.5000 0.3703 0.2014 ( 6790 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2011 -19.2011 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7460 -11.7453 -11.7451 -11.7414 -11.7410 -11.7405 -11.7402 -11.3398 -11.3398 -11.3371 -11.3370 -11.2438 -11.2437 -11.2422 -11.2421 -11.2349 -11.2348 -11.2331 -11.2330 -4.6237 -4.6236 -4.6216 -4.6216 -1.3522 -1.3520 -1.3288 -1.3287 -0.9828 -0.9826 -0.9564 -0.9562 -0.0442 -0.0442 -0.0042 -0.0042 3.8791 3.8791 3.8815 3.8815 5.2747 5.2747 5.2754 5.2754 5.7650 5.7651 5.7687 5.7687 k = 0.5000 0.3786 0.1906 ( 6794 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2011 -19.2011 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7460 -11.7452 -11.7450 -11.7415 -11.7411 -11.7405 -11.7401 -11.3398 -11.3397 -11.3371 -11.3370 -11.2438 -11.2437 -11.2423 -11.2421 -11.2349 -11.2348 -11.2331 -11.2330 -4.6254 -4.6254 -4.6234 -4.6233 -1.3692 -1.3691 -1.3461 -1.3460 -0.9585 -0.9582 -0.9299 -0.9296 -0.0440 -0.0440 -0.0041 -0.0041 3.8871 3.8871 3.8895 3.8896 5.2677 5.2678 5.2685 5.2686 5.7449 5.7449 5.7494 5.7494 k = 0.5000 0.3870 0.1798 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7459 -11.7452 -11.7450 -11.7415 -11.7410 -11.7405 -11.7401 -11.3398 -11.3397 -11.3371 -11.3370 -11.2438 -11.2437 -11.2423 -11.2421 -11.2348 -11.2347 -11.2331 -11.2330 -4.6275 -4.6274 -4.6255 -4.6254 -1.3858 -1.3857 -1.3633 -1.3632 -0.9327 -0.9324 -0.9024 -0.9021 -0.0440 -0.0440 -0.0042 -0.0042 3.8965 3.8965 3.8990 3.8990 5.2597 5.2598 5.2606 5.2606 5.7207 5.7207 5.7260 5.7260 k = 0.5000 0.3870 0.1798 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7459 -11.7452 -11.7450 -11.7415 -11.7410 -11.7405 -11.7401 -11.3398 -11.3397 -11.3371 -11.3370 -11.2438 -11.2437 -11.2423 -11.2421 -11.2348 -11.2347 -11.2331 -11.2330 -4.6275 -4.6274 -4.6255 -4.6254 -1.3858 -1.3857 -1.3633 -1.3632 -0.9327 -0.9324 -0.9024 -0.9021 -0.0440 -0.0440 -0.0042 -0.0042 3.8965 3.8965 3.8990 3.8990 5.2597 5.2598 5.2606 5.2606 5.7207 5.7207 5.7260 5.7260 k = 0.5000 0.3839 0.1664 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7459 -11.7452 -11.7450 -11.7416 -11.7411 -11.7405 -11.7401 -11.3398 -11.3396 -11.3371 -11.3370 -11.2438 -11.2437 -11.2423 -11.2421 -11.2348 -11.2347 -11.2331 -11.2330 -4.6292 -4.6291 -4.6273 -4.6272 -1.3959 -1.3958 -1.3739 -1.3738 -0.9139 -0.9137 -0.8825 -0.8823 -0.0443 -0.0443 -0.0046 -0.0045 3.8984 3.8985 3.9009 3.9009 5.2491 5.2491 5.2499 5.2500 5.7032 5.7032 5.7088 5.7088 k = 0.5000 0.3808 0.1530 ( 6780 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7460 -11.7459 -11.7451 -11.7450 -11.7416 -11.7411 -11.7405 -11.7401 -11.3398 -11.3396 -11.3372 -11.3370 -11.2438 -11.2437 -11.2423 -11.2421 -11.2348 -11.2346 -11.2331 -11.2330 -4.6314 -4.6313 -4.6295 -4.6294 -1.4059 -1.4057 -1.3844 -1.3843 -0.8929 -0.8927 -0.8606 -0.8604 -0.0455 -0.0454 -0.0058 -0.0058 3.9007 3.9008 3.9032 3.9032 5.2337 5.2337 5.2347 5.2348 5.6862 5.6863 5.6920 5.6920 k = 0.5000 0.3777 0.1395 ( 6778 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7460 -11.7459 -11.7451 -11.7449 -11.7416 -11.7411 -11.7405 -11.7401 -11.3397 -11.3395 -11.3372 -11.3370 -11.2438 -11.2436 -11.2423 -11.2421 -11.2348 -11.2346 -11.2332 -11.2330 -4.6340 -4.6339 -4.6322 -4.6321 -1.4154 -1.4153 -1.3947 -1.3946 -0.8699 -0.8697 -0.8369 -0.8367 -0.0476 -0.0475 -0.0080 -0.0080 3.9033 3.9034 3.9057 3.9057 5.2134 5.2134 5.2149 5.2149 5.6708 5.6709 5.6766 5.6766 k = 0.5000 0.3747 0.1261 ( 6774 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7460 -11.7458 -11.7450 -11.7449 -11.7416 -11.7411 -11.7406 -11.7401 -11.3397 -11.3395 -11.3372 -11.3370 -11.2438 -11.2436 -11.2423 -11.2421 -11.2348 -11.2346 -11.2332 -11.2330 -4.6369 -4.6368 -4.6351 -4.6350 -1.4246 -1.4244 -1.4047 -1.4046 -0.8452 -0.8450 -0.8116 -0.8114 -0.0506 -0.0506 -0.0112 -0.0112 3.9062 3.9062 3.9085 3.9085 5.1883 5.1884 5.1903 5.1904 5.6577 5.6577 5.6632 5.6632 k = 0.5000 0.3716 0.1127 ( 6772 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7460 -11.7458 -11.7450 -11.7449 -11.7417 -11.7411 -11.7406 -11.7401 -11.3396 -11.3394 -11.3372 -11.3370 -11.2438 -11.2436 -11.2423 -11.2422 -11.2347 -11.2345 -11.2332 -11.2330 -4.6400 -4.6399 -4.6383 -4.6382 -1.4332 -1.4330 -1.4143 -1.4142 -0.8190 -0.8188 -0.7850 -0.7847 -0.0548 -0.0547 -0.0156 -0.0155 3.9092 3.9092 3.9115 3.9115 5.1590 5.1590 5.1616 5.1617 5.6472 5.6473 5.6524 5.6524 k = 0.5000 0.3685 0.0993 ( 6772 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7459 -11.7458 -11.7449 -11.7448 -11.7417 -11.7411 -11.7406 -11.7401 -11.3396 -11.3394 -11.3373 -11.3371 -11.2438 -11.2436 -11.2423 -11.2422 -11.2347 -11.2345 -11.2332 -11.2330 -4.6434 -4.6432 -4.6417 -4.6416 -1.4412 -1.4411 -1.4234 -1.4233 -0.7915 -0.7913 -0.7572 -0.7570 -0.0600 -0.0599 -0.0210 -0.0209 3.9123 3.9123 3.9146 3.9146 5.1263 5.1263 5.1295 5.1295 5.6394 5.6394 5.6440 5.6441 k = 0.5000 0.3654 0.0858 ( 6762 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7459 -11.7457 -11.7449 -11.7448 -11.7417 -11.7411 -11.7406 -11.7401 -11.3395 -11.3393 -11.3373 -11.3371 -11.2437 -11.2436 -11.2423 -11.2422 -11.2347 -11.2345 -11.2332 -11.2330 -4.6468 -4.6466 -4.6452 -4.6451 -1.4487 -1.4485 -1.4320 -1.4319 -0.7631 -0.7629 -0.7286 -0.7284 -0.0662 -0.0662 -0.0276 -0.0275 3.9155 3.9156 3.9178 3.9178 5.0911 5.0911 5.0949 5.0950 5.6338 5.6338 5.6380 5.6380 k = 0.5000 0.3623 0.0724 ( 6760 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7459 -11.7457 -11.7449 -11.7447 -11.7417 -11.7411 -11.7406 -11.7401 -11.3395 -11.3392 -11.3374 -11.3371 -11.2437 -11.2435 -11.2424 -11.2422 -11.2346 -11.2344 -11.2332 -11.2330 -4.6502 -4.6501 -4.6488 -4.6486 -1.4555 -1.4554 -1.4401 -1.4399 -0.7340 -0.7338 -0.6995 -0.6993 -0.0736 -0.0736 -0.0353 -0.0352 3.9188 3.9188 3.9210 3.9210 5.0546 5.0546 5.0589 5.0590 5.6302 5.6303 5.6339 5.6340 k = 0.5000 0.3593 0.0590 ( 6762 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1266 -11.7458 -11.7457 -11.7448 -11.7447 -11.7417 -11.7412 -11.7406 -11.7402 -11.3394 -11.3392 -11.3374 -11.3372 -11.2437 -11.2435 -11.2424 -11.2422 -11.2346 -11.2344 -11.2332 -11.2330 -4.6537 -4.6535 -4.6523 -4.6522 -1.4617 -1.4616 -1.4475 -1.4474 -0.7044 -0.7042 -0.6701 -0.6699 -0.0821 -0.0820 -0.0442 -0.0441 3.9220 3.9220 3.9242 3.9243 5.0178 5.0178 5.0226 5.0226 5.6282 5.6282 5.6314 5.6315 k = 0.5000 0.3562 0.0455 ( 6764 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7456 -11.7448 -11.7447 -11.7418 -11.7412 -11.7407 -11.7402 -11.3394 -11.3391 -11.3375 -11.3372 -11.2437 -11.2435 -11.2424 -11.2423 -11.2346 -11.2344 -11.2332 -11.2330 -4.6570 -4.6569 -4.6557 -4.6556 -1.4673 -1.4671 -1.4544 -1.4543 -0.6748 -0.6746 -0.6408 -0.6406 -0.0915 -0.0914 -0.0541 -0.0541 3.9252 3.9252 3.9274 3.9274 4.9817 4.9817 4.9868 4.9868 5.6273 5.6273 5.6301 5.6301 k = 0.5000 0.3531 0.0321 ( 6768 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7456 -11.7448 -11.7446 -11.7418 -11.7413 -11.7407 -11.7402 -11.3393 -11.3390 -11.3375 -11.3373 -11.2437 -11.2435 -11.2425 -11.2423 -11.2345 -11.2344 -11.2332 -11.2330 -4.6602 -4.6601 -4.6590 -4.6589 -1.4722 -1.4720 -1.4607 -1.4605 -0.6455 -0.6453 -0.6119 -0.6117 -0.1017 -0.1016 -0.0651 -0.0650 3.9282 3.9282 3.9305 3.9305 4.9472 4.9472 4.9525 4.9525 5.6273 5.6273 5.6297 5.6297 k = 0.5000 0.3500 0.0187 ( 6768 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7456 -11.7447 -11.7446 -11.7418 -11.7413 -11.7407 -11.7403 -11.3392 -11.3390 -11.3376 -11.3373 -11.2437 -11.2435 -11.2425 -11.2423 -11.2345 -11.2343 -11.2332 -11.2330 -4.6631 -4.6630 -4.6621 -4.6619 -1.4764 -1.4763 -1.4663 -1.4662 -0.6169 -0.6167 -0.5840 -0.5838 -0.1125 -0.1125 -0.0769 -0.0768 3.9311 3.9311 3.9334 3.9334 4.9150 4.9150 4.9205 4.9205 5.6278 5.6278 5.6298 5.6298 k = 0.5000 0.3469 0.0052 ( 6768 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5579 -19.2064 -19.2064 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7447 -11.7446 -11.7418 -11.7413 -11.7407 -11.7403 -11.3392 -11.3389 -11.3376 -11.3374 -11.2436 -11.2435 -11.2425 -11.2423 -11.2345 -11.2343 -11.2332 -11.2331 -4.6658 -4.6657 -4.6649 -4.6647 -1.4800 -1.4799 -1.4713 -1.4712 -0.5894 -0.5892 -0.5576 -0.5574 -0.1237 -0.1237 -0.0892 -0.0891 3.9337 3.9337 3.9361 3.9361 4.8857 4.8857 4.8914 4.8914 5.6286 5.6286 5.6302 5.6303 k = 0.5000 0.3439-0.0082 ( 6778 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7447 -11.7446 -11.7418 -11.7414 -11.7407 -11.7404 -11.3391 -11.3389 -11.3377 -11.3374 -11.2436 -11.2435 -11.2425 -11.2424 -11.2345 -11.2343 -11.2332 -11.2331 -4.6681 -4.6680 -4.6673 -4.6672 -1.4829 -1.4828 -1.4757 -1.4755 -0.5637 -0.5635 -0.5332 -0.5331 -0.1348 -0.1347 -0.1017 -0.1017 3.9361 3.9361 3.9385 3.9385 4.8600 4.8600 4.8657 4.8658 5.6295 5.6295 5.6309 5.6309 k = 0.5000 0.3408-0.0216 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7447 -11.7446 -11.7417 -11.7414 -11.7407 -11.7404 -11.3391 -11.3389 -11.3377 -11.3375 -11.2436 -11.2435 -11.2425 -11.2424 -11.2345 -11.2344 -11.2333 -11.2331 -4.6701 -4.6700 -4.6694 -4.6693 -1.4852 -1.4851 -1.4794 -1.4792 -0.5405 -0.5403 -0.5117 -0.5116 -0.1452 -0.1451 -0.1139 -0.1139 3.9381 3.9381 3.9405 3.9406 4.8384 4.8384 4.8441 4.8441 5.6305 5.6305 5.6316 5.6316 k = 0.5000 0.3377-0.0350 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7455 -11.7446 -11.7446 -11.7417 -11.7415 -11.7407 -11.7405 -11.3390 -11.3388 -11.3377 -11.3376 -11.2436 -11.2435 -11.2425 -11.2424 -11.2345 -11.2344 -11.2333 -11.2332 -4.6717 -4.6716 -4.6710 -4.6709 -1.4868 -1.4867 -1.4824 -1.4823 -0.5205 -0.5204 -0.4938 -0.4937 -0.1543 -0.1542 -0.1251 -0.1251 3.9398 3.9398 3.9422 3.9422 4.8211 4.8211 4.8269 4.8269 5.6313 5.6314 5.6322 5.6322 k = 0.5000 0.3346-0.0485 ( 6788 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7456 -11.7446 -11.7446 -11.7417 -11.7415 -11.7407 -11.7406 -11.3389 -11.3388 -11.3377 -11.3376 -11.2436 -11.2435 -11.2425 -11.2425 -11.2344 -11.2344 -11.2333 -11.2332 -4.6728 -4.6727 -4.6722 -4.6722 -1.4878 -1.4876 -1.4848 -1.4846 -0.5049 -0.5048 -0.4805 -0.4803 -0.1613 -0.1613 -0.1343 -0.1343 3.9410 3.9410 3.9435 3.9435 4.8086 4.8086 4.8143 4.8143 5.6320 5.6320 5.6326 5.6326 k = 0.5000 0.3315-0.0619 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2009 -19.2009 -19.1308 -19.1308 -19.1265 -19.1265 -11.7456 -11.7456 -11.7446 -11.7446 -11.7417 -11.7416 -11.7407 -11.7406 -11.3389 -11.3388 -11.3377 -11.3377 -11.2435 -11.2435 -11.2425 -11.2425 -11.2344 -11.2344 -11.2332 -11.2332 -4.6734 -4.6734 -4.6730 -4.6729 -1.4880 -1.4879 -1.4865 -1.4863 -0.4948 -0.4947 -0.4722 -0.4721 -0.1657 -0.1657 -0.1405 -0.1404 3.9417 3.9417 3.9442 3.9442 4.8010 4.8010 4.8067 4.8067 5.6325 5.6325 5.6329 5.6329 k = 0.5000 0.3285-0.0753 ( 6788 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7456 -11.7446 -11.7446 -11.7416 -11.7416 -11.7406 -11.7406 -11.3389 -11.3389 -11.3377 -11.3377 -11.2435 -11.2435 -11.2425 -11.2425 -11.2344 -11.2344 -11.2332 -11.2332 -4.6736 -4.6736 -4.6732 -4.6732 -1.4878 -1.4878 -1.4872 -1.4872 -0.4913 -0.4913 -0.4694 -0.4694 -0.1673 -0.1673 -0.1427 -0.1427 3.9420 3.9420 3.9445 3.9445 4.7984 4.7984 4.8042 4.8042 5.6326 5.6326 5.6330 5.6330 k = 0.5000 0.3285-0.0753 ( 6788 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7456 -11.7446 -11.7446 -11.7416 -11.7416 -11.7406 -11.7406 -11.3389 -11.3389 -11.3377 -11.3377 -11.2435 -11.2435 -11.2425 -11.2425 -11.2344 -11.2344 -11.2332 -11.2332 -4.6736 -4.6736 -4.6732 -4.6732 -1.4878 -1.4878 -1.4872 -1.4872 -0.4913 -0.4913 -0.4694 -0.4694 -0.1673 -0.1673 -0.1427 -0.1427 3.9420 3.9420 3.9445 3.9445 4.7984 4.7984 4.8042 4.8042 5.6326 5.6326 5.6330 5.6330 k = 0.4865 0.3285-0.0753 ( 6784 PWs) bands (ev): -38.2885 -38.2885 -38.2879 -38.2879 -19.5601 -19.5589 -19.5582 -19.5570 -19.2076 -19.2052 -19.2021 -19.1997 -19.1314 -19.1302 -19.1271 -19.1260 -11.7456 -11.7455 -11.7446 -11.7446 -11.7417 -11.7416 -11.7407 -11.7406 -11.3389 -11.3388 -11.3377 -11.3377 -11.2435 -11.2435 -11.2425 -11.2425 -11.2345 -11.2343 -11.2333 -11.2332 -4.6774 -4.6771 -4.6721 -4.6718 -1.4932 -1.4926 -1.4784 -1.4780 -0.5060 -0.4862 -0.4781 -0.4542 -0.1725 -0.1618 -0.1461 -0.1390 3.9000 3.9022 3.9843 3.9871 4.7982 4.8006 4.8040 4.8062 5.6325 5.6329 5.6341 5.6344 k = 0.4730 0.3285-0.0753 ( 6778 PWs) bands (ev): -38.2888 -38.2888 -38.2876 -38.2876 -19.5610 -19.5598 -19.5572 -19.5560 -19.2087 -19.2040 -19.2033 -19.1985 -19.1319 -19.1297 -19.1277 -19.1254 -11.7456 -11.7455 -11.7446 -11.7445 -11.7417 -11.7415 -11.7407 -11.7405 -11.3389 -11.3387 -11.3377 -11.3376 -11.2436 -11.2435 -11.2426 -11.2424 -11.2346 -11.2343 -11.2333 -11.2331 -4.6834 -4.6831 -4.6728 -4.6725 -1.4948 -1.4940 -1.4651 -1.4649 -0.5220 -0.5044 -0.4667 -0.4408 -0.1772 -0.1562 -0.1492 -0.1353 3.8584 3.8604 4.0268 4.0299 4.7999 4.8045 4.8058 4.8100 5.6337 5.6341 5.6368 5.6371 k = 0.4595 0.3285-0.0753 ( 6778 PWs) bands (ev): -38.2891 -38.2891 -38.2873 -38.2873 -19.5618 -19.5607 -19.5561 -19.5549 -19.2098 -19.2044 -19.2027 -19.1972 -19.1325 -19.1291 -19.1283 -19.1249 -11.7457 -11.7454 -11.7447 -11.7444 -11.7417 -11.7415 -11.7407 -11.7405 -11.3389 -11.3387 -11.3377 -11.3376 -11.2436 -11.2434 -11.2426 -11.2424 -11.2347 -11.2343 -11.2334 -11.2331 -4.6916 -4.6913 -4.6759 -4.6756 -1.4925 -1.4917 -1.4480 -1.4479 -0.5393 -0.5238 -0.4571 -0.4295 -0.1813 -0.1518 -0.1507 -0.1316 3.8175 3.8191 4.0692 4.0725 4.8036 4.8095 4.8102 4.8155 5.6360 5.6364 5.6410 5.6412 k = 0.4459 0.3285-0.0753 ( 6776 PWs) bands (ev): -38.2894 -38.2894 -38.2870 -38.2870 -19.5626 -19.5615 -19.5550 -19.5538 -19.2109 -19.2055 -19.2014 -19.1959 -19.1331 -19.1289 -19.1286 -19.1243 -11.7457 -11.7454 -11.7447 -11.7444 -11.7417 -11.7414 -11.7407 -11.7404 -11.3389 -11.3386 -11.3377 -11.3375 -11.2437 -11.2434 -11.2426 -11.2424 -11.2347 -11.2342 -11.2335 -11.2331 -4.7019 -4.7016 -4.6812 -4.6809 -1.4865 -1.4857 -1.4274 -1.4272 -0.5577 -0.5442 -0.4493 -0.4204 -0.1845 -0.1539 -0.1453 -0.1279 3.7773 3.7785 4.1112 4.1147 4.8094 4.8154 4.8176 4.8227 5.6396 5.6399 5.6466 5.6467 k = 0.4324 0.3285-0.0753 ( 6780 PWs) bands (ev): -38.2897 -38.2897 -38.2868 -38.2868 -19.5634 -19.5623 -19.5539 -19.5527 -19.2119 -19.2066 -19.2001 -19.1946 -19.1337 -19.1295 -19.1280 -19.1238 -11.7457 -11.7454 -11.7447 -11.7443 -11.7418 -11.7414 -11.7408 -11.7403 -11.3389 -11.3385 -11.3376 -11.3374 -11.2437 -11.2434 -11.2427 -11.2424 -11.2349 -11.2342 -11.2336 -11.2331 -4.7142 -4.7139 -4.6886 -4.6883 -1.4771 -1.4762 -1.4034 -1.4030 -0.5768 -0.5654 -0.4434 -0.4136 -0.1865 -0.1554 -0.1402 -0.1244 3.7378 3.7387 4.1525 4.1561 4.8173 4.8233 4.8266 4.8315 5.6443 5.6446 5.6537 5.6538 k = 0.4189 0.3285-0.0753 ( 6772 PWs) bands (ev): -38.2900 -38.2900 -38.2865 -38.2865 -19.5641 -19.5630 -19.5527 -19.5515 -19.2129 -19.2076 -19.1987 -19.1932 -19.1343 -19.1301 -19.1275 -19.1233 -11.7458 -11.7453 -11.7447 -11.7443 -11.7418 -11.7414 -11.7407 -11.7402 -11.3389 -11.3385 -11.3376 -11.3373 -11.2438 -11.2434 -11.2427 -11.2424 -11.2350 -11.2342 -11.2337 -11.2331 -4.7282 -4.7279 -4.6980 -4.6977 -1.4644 -1.4634 -1.3763 -1.3755 -0.5966 -0.5873 -0.4394 -0.4091 -0.1874 -0.1561 -0.1352 -0.1210 3.6991 3.6997 4.1926 4.1963 4.8273 4.8334 4.8374 4.8421 5.6501 5.6504 5.6624 5.6624 k = 0.4054 0.3285-0.0753 ( 6772 PWs) bands (ev): -38.2903 -38.2903 -38.2862 -38.2862 -19.5648 -19.5637 -19.5515 -19.5503 -19.2138 -19.2086 -19.1973 -19.1919 -19.1349 -19.1307 -19.1270 -19.1228 -11.7458 -11.7453 -11.7447 -11.7442 -11.7418 -11.7413 -11.7407 -11.7401 -11.3389 -11.3384 -11.3375 -11.3373 -11.2438 -11.2435 -11.2428 -11.2423 -11.2351 -11.2342 -11.2338 -11.2331 -4.7439 -4.7436 -4.7092 -4.7090 -1.4488 -1.4478 -1.3463 -1.3451 -0.6168 -0.6095 -0.4370 -0.4068 -0.1870 -0.1561 -0.1305 -0.1178 3.6613 3.6616 4.2310 4.2347 4.8395 4.8456 4.8500 4.8543 5.6572 5.6574 5.6727 5.6727 k = 0.3919 0.3285-0.0753 ( 6768 PWs) bands (ev): -38.2906 -38.2906 -38.2860 -38.2860 -19.5654 -19.5644 -19.5503 -19.5491 -19.2148 -19.2096 -19.1959 -19.1905 -19.1354 -19.1313 -19.1265 -19.1223 -11.7458 -11.7453 -11.7447 -11.7442 -11.7418 -11.7413 -11.7407 -11.7401 -11.3389 -11.3383 -11.3374 -11.3372 -11.2439 -11.2435 -11.2428 -11.2423 -11.2352 -11.2343 -11.2339 -11.2331 -4.7611 -4.7608 -4.7222 -4.7220 -1.4306 -1.4296 -1.3139 -1.3121 -0.6372 -0.6320 -0.4360 -0.4064 -0.1854 -0.1555 -0.1259 -0.1146 3.6244 3.6244 4.2670 4.2708 4.8538 4.8599 4.8646 4.8686 5.6654 5.6655 5.6847 5.6847 k = 0.3784 0.3285-0.0753 ( 6776 PWs) bands (ev): -38.2909 -38.2909 -38.2857 -38.2857 -19.5660 -19.5650 -19.5491 -19.5479 -19.2156 -19.2105 -19.1945 -19.1891 -19.1360 -19.1319 -19.1260 -19.1219 -11.7458 -11.7453 -11.7447 -11.7441 -11.7419 -11.7413 -11.7407 -11.7400 -11.3389 -11.3383 -11.3373 -11.3371 -11.2439 -11.2435 -11.2428 -11.2423 -11.2354 -11.2344 -11.2340 -11.2332 -4.7795 -4.7792 -4.7368 -4.7365 -1.4102 -1.4092 -1.2795 -1.2770 -0.6575 -0.6545 -0.4362 -0.4076 -0.1828 -0.1542 -0.1214 -0.1114 3.5882 3.5885 4.3000 4.3036 4.8702 4.8763 4.8815 4.8850 5.6748 5.6748 5.6985 5.6986 k = 0.3649 0.3285-0.0753 ( 6776 PWs) bands (ev): -38.2912 -38.2912 -38.2855 -38.2855 -19.5665 -19.5655 -19.5479 -19.5467 -19.2164 -19.2114 -19.1931 -19.1877 -19.1366 -19.1325 -19.1256 -19.1215 -11.7458 -11.7453 -11.7446 -11.7441 -11.7419 -11.7413 -11.7407 -11.7399 -11.3388 -11.3382 -11.3372 -11.3370 -11.2440 -11.2436 -11.2429 -11.2423 -11.2355 -11.2345 -11.2341 -11.2333 -4.7991 -4.7988 -4.7527 -4.7525 -1.3881 -1.3871 -1.2436 -1.2402 -0.6775 -0.6767 -0.4373 -0.4100 -0.1792 -0.1524 -0.1168 -0.1081 3.5529 3.5536 4.3292 4.3327 4.8887 4.8947 4.9010 4.9040 5.6854 5.6855 5.7141 5.7143 k = 0.3514 0.3285-0.0753 ( 6776 PWs) bands (ev): -38.2915 -38.2915 -38.2853 -38.2853 -19.5670 -19.5660 -19.5466 -19.5454 -19.2172 -19.2123 -19.1917 -19.1864 -19.1371 -19.1331 -19.1251 -19.1211 -11.7459 -11.7453 -11.7446 -11.7440 -11.7419 -11.7413 -11.7406 -11.7398 -11.3388 -11.3381 -11.3371 -11.3368 -11.2441 -11.2436 -11.2429 -11.2423 -11.2357 -11.2346 -11.2342 -11.2333 -4.8195 -4.8192 -4.7698 -4.7696 -1.3647 -1.3637 -1.2069 -1.2024 -0.6984 -0.6967 -0.4389 -0.4132 -0.1749 -0.1500 -0.1121 -0.1045 3.5188 3.5197 4.3539 4.3572 4.9091 4.9151 4.9234 4.9259 5.6972 5.6975 5.7318 5.7320 k = 0.3378 0.3285-0.0753 ( 6774 PWs) bands (ev): -38.2918 -38.2918 -38.2850 -38.2850 -19.5674 -19.5665 -19.5453 -19.5442 -19.2179 -19.2131 -19.1903 -19.1850 -19.1376 -19.1337 -19.1247 -19.1207 -11.7459 -11.7453 -11.7446 -11.7439 -11.7419 -11.7412 -11.7406 -11.7398 -11.3387 -11.3380 -11.3370 -11.3367 -11.2441 -11.2437 -11.2429 -11.2423 -11.2358 -11.2347 -11.2343 -11.2334 -4.8407 -4.8404 -4.7879 -4.7876 -1.3405 -1.3395 -1.1702 -1.1641 -0.7192 -0.7146 -0.4407 -0.4166 -0.1700 -0.1472 -0.1070 -0.1004 3.4857 3.4869 4.3736 4.3766 4.9315 4.9374 4.9489 4.9508 5.7104 5.7108 5.7514 5.7517 k = 0.3243 0.3285-0.0753 ( 6772 PWs) bands (ev): -38.2921 -38.2921 -38.2848 -38.2848 -19.5678 -19.5669 -19.5441 -19.5429 -19.2186 -19.2138 -19.1888 -19.1836 -19.1382 -19.1342 -19.1243 -19.1204 -11.7459 -11.7453 -11.7445 -11.7439 -11.7419 -11.7412 -11.7406 -11.7397 -11.3386 -11.3379 -11.3369 -11.3366 -11.2442 -11.2437 -11.2430 -11.2423 -11.2359 -11.2348 -11.2343 -11.2335 -4.8624 -4.8621 -4.8067 -4.8065 -1.3159 -1.3150 -1.1344 -1.1263 -0.7386 -0.7308 -0.4423 -0.4199 -0.1646 -0.1439 -0.1013 -0.0958 3.4539 3.4552 4.3879 4.3906 4.9557 4.9615 4.9777 4.9791 5.7249 5.7254 5.7732 5.7735 k = 0.3108 0.3285-0.0753 ( 6774 PWs) bands (ev): -38.2923 -38.2923 -38.2846 -38.2846 -19.5682 -19.5673 -19.5428 -19.5417 -19.2192 -19.2146 -19.1874 -19.1822 -19.1387 -19.1348 -19.1239 -19.1200 -11.7459 -11.7453 -11.7444 -11.7438 -11.7419 -11.7412 -11.7405 -11.7396 -11.3386 -11.3379 -11.3367 -11.3365 -11.2443 -11.2438 -11.2430 -11.2424 -11.2361 -11.2350 -11.2344 -11.2335 -4.8844 -4.8842 -4.8262 -4.8260 -1.2916 -1.2908 -1.1007 -1.0902 -0.7558 -0.7443 -0.4435 -0.4228 -0.1586 -0.1401 -0.0949 -0.0904 3.4232 3.4247 4.3967 4.3991 4.9815 4.9873 5.0097 5.0105 5.7407 5.7412 5.7972 5.7976 k = 0.2973 0.3285-0.0753 ( 6768 PWs) bands (ev): -38.2926 -38.2926 -38.2844 -38.2844 -19.5685 -19.5677 -19.5416 -19.5404 -19.2198 -19.2153 -19.1860 -19.1809 -19.1392 -19.1354 -19.1235 -19.1197 -11.7458 -11.7452 -11.7444 -11.7438 -11.7419 -11.7412 -11.7404 -11.7395 -11.3385 -11.3378 -11.3366 -11.3363 -11.2444 -11.2439 -11.2430 -11.2424 -11.2362 -11.2351 -11.2345 -11.2336 -4.9067 -4.9064 -4.8461 -4.8459 -1.2679 -1.2672 -1.0706 -1.0571 -0.7697 -0.7542 -0.4440 -0.4251 -0.1521 -0.1357 -0.0875 -0.0838 3.3937 3.3954 4.4002 4.4023 5.0090 5.0147 5.0445 5.0448 5.7576 5.7582 5.8235 5.8239 k = 0.2838 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2929 -38.2929 -38.2842 -38.2842 -19.5688 -19.5680 -19.5403 -19.5392 -19.2203 -19.2159 -19.1845 -19.1795 -19.1396 -19.1359 -19.1232 -19.1194 -11.7458 -11.7452 -11.7443 -11.7437 -11.7419 -11.7412 -11.7404 -11.7394 -11.3384 -11.3377 -11.3364 -11.3362 -11.2444 -11.2439 -11.2431 -11.2424 -11.2363 -11.2352 -11.2345 -11.2337 -4.9289 -4.9287 -4.8662 -4.8661 -1.2454 -1.2448 -1.0459 -1.0290 -0.7788 -0.7590 -0.4436 -0.4264 -0.1450 -0.1305 -0.0788 -0.0760 3.3656 3.3675 4.3989 4.4007 5.0379 5.0435 5.0816 5.0817 5.7756 5.7762 5.8521 5.8525 k = 0.2703 0.3285-0.0753 ( 6764 PWs) bands (ev): -38.2932 -38.2932 -38.2840 -38.2840 -19.5691 -19.5683 -19.5391 -19.5380 -19.2208 -19.2166 -19.1831 -19.1782 -19.1401 -19.1365 -19.1228 -19.1192 -11.7458 -11.7452 -11.7443 -11.7437 -11.7419 -11.7412 -11.7403 -11.7394 -11.3383 -11.3376 -11.3363 -11.3360 -11.2445 -11.2440 -11.2431 -11.2425 -11.2365 -11.2354 -11.2346 -11.2338 -4.9511 -4.9509 -4.8865 -4.8863 -1.2244 -1.2239 -1.0280 -1.0082 -0.7814 -0.7578 -0.4422 -0.4267 -0.1371 -0.1245 -0.0685 -0.0666 3.3389 3.3408 4.3932 4.3948 5.0681 5.0737 5.1202 5.1207 5.7944 5.7949 5.8830 5.8835 k = 0.2568 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2934 -38.2934 -38.2839 -38.2839 -19.5693 -19.5686 -19.5379 -19.5368 -19.2213 -19.2172 -19.1817 -19.1769 -19.1406 -19.1370 -19.1225 -19.1190 -11.7458 -11.7452 -11.7442 -11.7436 -11.7419 -11.7411 -11.7403 -11.7393 -11.3382 -11.3375 -11.3361 -11.3359 -11.2446 -11.2441 -11.2432 -11.2425 -11.2366 -11.2355 -11.2347 -11.2339 -4.9729 -4.9727 -4.9066 -4.9065 -1.2053 -1.2050 -1.0178 -0.9964 -0.7762 -0.7502 -0.4398 -0.4260 -0.1283 -0.1175 -0.0564 -0.0554 3.3135 3.3156 4.3839 4.3852 5.0996 5.1051 5.1601 5.1609 5.8137 5.8142 5.9163 5.9168 k = 0.2432 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2937 -38.2937 -38.2837 -38.2837 -19.5695 -19.5688 -19.5367 -19.5357 -19.2217 -19.2177 -19.1804 -19.1756 -19.1410 -19.1375 -19.1222 -19.1188 -11.7457 -11.7452 -11.7441 -11.7435 -11.7419 -11.7411 -11.7402 -11.7393 -11.3381 -11.3374 -11.3360 -11.3357 -11.2447 -11.2442 -11.2432 -11.2426 -11.2367 -11.2357 -11.2348 -11.2340 -4.9944 -4.9942 -4.9265 -4.9264 -1.1883 -1.1882 -1.0147 -0.9934 -0.7637 -0.7370 -0.4365 -0.4244 -0.1186 -0.1094 -0.0424 -0.0421 3.2896 3.2918 4.3716 4.3727 5.1322 5.1376 5.2006 5.2017 5.8334 5.8336 5.9518 5.9523 k = 0.2297 0.3285-0.0753 ( 6762 PWs) bands (ev): -38.2939 -38.2939 -38.2835 -38.2835 -19.5697 -19.5690 -19.5355 -19.5346 -19.2220 -19.2182 -19.1790 -19.1744 -19.1414 -19.1380 -19.1219 -19.1186 -11.7457 -11.7452 -11.7441 -11.7435 -11.7419 -11.7411 -11.7401 -11.7392 -11.3380 -11.3373 -11.3358 -11.3356 -11.2447 -11.2443 -11.2433 -11.2426 -11.2368 -11.2358 -11.2349 -11.2341 -5.0153 -5.0151 -4.9461 -4.9460 -1.1737 -1.1736 -1.0174 -0.9973 -0.7461 -0.7202 -0.4324 -0.4219 -0.1078 -0.1000 -0.0266 -0.0261 3.2672 3.2694 4.3569 4.3580 5.1659 5.1712 5.2412 5.2424 5.8529 5.8530 5.9894 5.9900 k = 0.2162 0.3285-0.0753 ( 6756 PWs) bands (ev): -38.2941 -38.2941 -38.2834 -38.2834 -19.5699 -19.5692 -19.5344 -19.5335 -19.2223 -19.2187 -19.1777 -19.1732 -19.1418 -19.1385 -19.1217 -19.1184 -11.7457 -11.7451 -11.7440 -11.7435 -11.7418 -11.7411 -11.7401 -11.7391 -11.3379 -11.3373 -11.3357 -11.3354 -11.2448 -11.2443 -11.2433 -11.2427 -11.2369 -11.2359 -11.2350 -11.2342 -5.0356 -5.0354 -4.9651 -4.9650 -1.1614 -1.1613 -1.0242 -1.0058 -0.7261 -0.7016 -0.4278 -0.4187 -0.0958 -0.0893 -0.0087 -0.0077 3.2464 3.2485 4.3406 4.3415 5.2006 5.2057 5.2813 5.2827 5.8718 5.8720 6.0290 6.0297 k = 0.2027 0.3285-0.0753 ( 6754 PWs) bands (ev): -38.2943 -38.2943 -38.2833 -38.2833 -19.5700 -19.5694 -19.5333 -19.5325 -19.2226 -19.2192 -19.1764 -19.1720 -19.1422 -19.1390 -19.1214 -19.1183 -11.7456 -11.7451 -11.7439 -11.7434 -11.7418 -11.7411 -11.7400 -11.7391 -11.3378 -11.3372 -11.3355 -11.3353 -11.2449 -11.2444 -11.2434 -11.2428 -11.2370 -11.2360 -11.2350 -11.2343 -5.0551 -5.0549 -4.9836 -4.9835 -1.1515 -1.1512 -1.0334 -1.0170 -0.7056 -0.6830 -0.4229 -0.4153 -0.0826 -0.0773 0.0114 0.0129 3.2270 3.2292 4.3231 4.3239 5.2361 5.2411 5.3204 5.3219 5.8900 5.8904 6.0704 6.0711 k = 0.1892 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2946 -38.2946 -38.2831 -38.2831 -19.5701 -19.5696 -19.5323 -19.5315 -19.2229 -19.2196 -19.1751 -19.1709 -19.1426 -19.1395 -19.1212 -19.1182 -11.7456 -11.7451 -11.7439 -11.7434 -11.7418 -11.7411 -11.7399 -11.7391 -11.3377 -11.3371 -11.3354 -11.3352 -11.2450 -11.2445 -11.2435 -11.2429 -11.2371 -11.2362 -11.2351 -11.2344 -5.0738 -5.0736 -5.0013 -5.0012 -1.1437 -1.1433 -1.0441 -1.0296 -0.6862 -0.6654 -0.4179 -0.4116 -0.0683 -0.0639 0.0336 0.0355 3.2092 3.2113 4.3049 4.3056 5.2725 5.2774 5.3583 5.3598 5.9071 5.9078 6.1132 6.1140 k = 0.1757 0.3285-0.0753 ( 6768 PWs) bands (ev): -38.2948 -38.2948 -38.2830 -38.2830 -19.5702 -19.5697 -19.5314 -19.5306 -19.2231 -19.2200 -19.1739 -19.1699 -19.1429 -19.1400 -19.1210 -19.1182 -11.7456 -11.7451 -11.7439 -11.7434 -11.7418 -11.7412 -11.7399 -11.7391 -11.3376 -11.3370 -11.3353 -11.3351 -11.2450 -11.2446 -11.2435 -11.2429 -11.2372 -11.2363 -11.2352 -11.2345 -5.0915 -5.0914 -5.0182 -5.0181 -1.1378 -1.1373 -1.0555 -1.0426 -0.6684 -0.6494 -0.4132 -0.4081 -0.0530 -0.0495 0.0575 0.0598 3.1930 3.1950 4.2865 4.2871 5.3097 5.3144 5.3946 5.3961 5.9230 5.9240 6.1571 6.1580 k = 0.1622 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2949 -38.2949 -38.2829 -38.2829 -19.5703 -19.5698 -19.5304 -19.5297 -19.2233 -19.2204 -19.1728 -19.1689 -19.1432 -19.1404 -19.1208 -19.1181 -11.7455 -11.7451 -11.7438 -11.7433 -11.7418 -11.7412 -11.7398 -11.7390 -11.3375 -11.3370 -11.3352 -11.3350 -11.2451 -11.2447 -11.2436 -11.2430 -11.2372 -11.2364 -11.2353 -11.2346 -5.1082 -5.1081 -5.0342 -5.0341 -1.1336 -1.1330 -1.0670 -1.0557 -0.6527 -0.6355 -0.4089 -0.4048 -0.0370 -0.0341 0.0829 0.0853 3.1782 3.1802 4.2683 4.2688 5.3475 5.3520 5.4289 5.4305 5.9376 5.9388 6.2015 6.2025 k = 0.1486 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2951 -38.2951 -38.2828 -38.2828 -19.5704 -19.5699 -19.5295 -19.5289 -19.2234 -19.2207 -19.1716 -19.1680 -19.1435 -19.1408 -19.1206 -19.1181 -11.7455 -11.7451 -11.7437 -11.7433 -11.7417 -11.7412 -11.7397 -11.7390 -11.3374 -11.3369 -11.3350 -11.3348 -11.2452 -11.2448 -11.2436 -11.2431 -11.2373 -11.2365 -11.2353 -11.2347 -5.1238 -5.1237 -5.0492 -5.0491 -1.1309 -1.1302 -1.0783 -1.0683 -0.6392 -0.6237 -0.4051 -0.4019 -0.0204 -0.0182 0.1090 0.1115 3.1650 3.1669 4.2505 4.2510 5.3859 5.3902 5.4613 5.4627 5.9506 5.9520 6.2459 6.2471 k = 0.1351 0.3285-0.0753 ( 6766 PWs) bands (ev): -38.2953 -38.2953 -38.2827 -38.2827 -19.5704 -19.5700 -19.5287 -19.5281 -19.2235 -19.2211 -19.1706 -19.1671 -19.1437 -19.1412 -19.1204 -19.1181 -11.7455 -11.7451 -11.7437 -11.7433 -11.7417 -11.7412 -11.7397 -11.7390 -11.3373 -11.3369 -11.3349 -11.3348 -11.2452 -11.2449 -11.2437 -11.2432 -11.2373 -11.2366 -11.2354 -11.2348 -5.1383 -5.1382 -5.0631 -5.0630 -1.1294 -1.1287 -1.0891 -1.0804 -0.6277 -0.6139 -0.4019 -0.3994 -0.0037 -0.0020 0.1354 0.1378 3.1532 3.1550 4.2336 4.2339 5.4246 5.4288 5.4914 5.4928 5.9622 5.9637 6.2895 6.2908 k = 0.1216 0.3285-0.0753 ( 6768 PWs) bands (ev): -38.2954 -38.2954 -38.2826 -38.2826 -19.5705 -19.5701 -19.5280 -19.5274 -19.2236 -19.2214 -19.1696 -19.1664 -19.1440 -19.1416 -19.1203 -19.1182 -11.7454 -11.7451 -11.7436 -11.7433 -11.7417 -11.7412 -11.7396 -11.7390 -11.3373 -11.3368 -11.3348 -11.3347 -11.2453 -11.2449 -11.2438 -11.2433 -11.2373 -11.2367 -11.2354 -11.2349 -5.1516 -5.1515 -5.0759 -5.0758 -1.1289 -1.1281 -1.0991 -1.0916 -0.6182 -0.6059 -0.3992 -0.3973 0.0127 0.0141 0.1615 0.1638 3.1429 3.1445 4.2176 4.2179 5.4635 5.4675 5.5192 5.5206 5.9723 5.9738 6.3312 6.3329 k = 0.1081 0.3285-0.0753 ( 6766 PWs) bands (ev): -38.2955 -38.2955 -38.2825 -38.2825 -19.5705 -19.5702 -19.5273 -19.5268 -19.2237 -19.2217 -19.1686 -19.1657 -19.1442 -19.1420 -19.1201 -19.1182 -11.7454 -11.7451 -11.7436 -11.7433 -11.7417 -11.7412 -11.7396 -11.7390 -11.3372 -11.3368 -11.3347 -11.3346 -11.2453 -11.2450 -11.2438 -11.2434 -11.2374 -11.2367 -11.2355 -11.2350 -5.1636 -5.1635 -5.0874 -5.0874 -1.1292 -1.1283 -1.1081 -1.1018 -0.6103 -0.5996 -0.3971 -0.3957 0.0286 0.0297 0.1865 0.1887 3.1339 3.1354 4.2029 4.2031 5.5022 5.5059 5.5447 5.5459 5.9808 5.9823 6.3698 6.3720 k = 0.0946 0.3285-0.0753 ( 6770 PWs) bands (ev): -38.2957 -38.2957 -38.2825 -38.2825 -19.5705 -19.5703 -19.5267 -19.5263 -19.2237 -19.2219 -19.1677 -19.1651 -19.1443 -19.1424 -19.1200 -19.1183 -11.7454 -11.7451 -11.7436 -11.7433 -11.7417 -11.7413 -11.7395 -11.7390 -11.3371 -11.3367 -11.3346 -11.3345 -11.2454 -11.2451 -11.2438 -11.2435 -11.2374 -11.2368 -11.2355 -11.2351 -5.1742 -5.1742 -5.0978 -5.0977 -1.1302 -1.1292 -1.1159 -1.1107 -0.6039 -0.5947 -0.3955 -0.3944 0.0436 0.0444 0.2101 0.2120 3.1262 3.1275 4.1895 4.1898 5.5401 5.5436 5.5676 5.5688 5.9879 5.9893 6.4017 6.4047 k = 0.0811 0.3285-0.0753 ( 6764 PWs) bands (ev): -38.2958 -38.2958 -38.2824 -38.2824 -19.5706 -19.5703 -19.5262 -19.5258 -19.2237 -19.2222 -19.1669 -19.1646 -19.1444 -19.1427 -19.1198 -19.1183 -11.7453 -11.7450 -11.7435 -11.7433 -11.7416 -11.7413 -11.7394 -11.7390 -11.3370 -11.3367 -11.3345 -11.3344 -11.2454 -11.2452 -11.2439 -11.2435 -11.2374 -11.2369 -11.2355 -11.2352 -5.1836 -5.1835 -5.1068 -5.1068 -1.1323 -1.1308 -1.1220 -1.1183 -0.5987 -0.5909 -0.3943 -0.3935 0.0573 0.0579 0.2316 0.2333 3.1197 3.1209 4.1777 4.1779 5.5766 5.5797 5.5883 5.5893 5.9936 5.9949 6.4181 6.4205 k = 0.0676 0.3285-0.0753 ( 6766 PWs) bands (ev): -38.2958 -38.2958 -38.2824 -38.2824 -19.5706 -19.5704 -19.5257 -19.5254 -19.2237 -19.2224 -19.1662 -19.1642 -19.1445 -19.1431 -19.1197 -19.1184 -11.7453 -11.7451 -11.7435 -11.7433 -11.7416 -11.7413 -11.7394 -11.7390 -11.3370 -11.3367 -11.3344 -11.3344 -11.2454 -11.2452 -11.2439 -11.2436 -11.2374 -11.2370 -11.2356 -11.2352 -5.1915 -5.1915 -5.1145 -5.1145 -1.1355 -1.1333 -1.1260 -1.1238 -0.5946 -0.5882 -0.3934 -0.3928 0.0694 0.0698 0.2507 0.2521 3.1144 3.1153 4.1675 4.1677 5.6052 5.6057 5.6122 5.6146 5.9980 5.9992 6.4142 6.4148 k = 0.0541 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2959 -38.2959 -38.2823 -38.2823 -19.5706 -19.5704 -19.5253 -19.5250 -19.2236 -19.2226 -19.1656 -19.1639 -19.1445 -19.1433 -19.1195 -19.1185 -11.7452 -11.7450 -11.7434 -11.7432 -11.7416 -11.7413 -11.7393 -11.7390 -11.3369 -11.3367 -11.3344 -11.3343 -11.2454 -11.2453 -11.2439 -11.2437 -11.2373 -11.2370 -11.2356 -11.2353 -5.1981 -5.1980 -5.1209 -5.1209 -1.1393 -1.1369 -1.1283 -1.1272 -0.5913 -0.5862 -0.3927 -0.3923 0.0796 0.0800 0.2668 0.2680 3.1101 3.1109 4.1591 4.1593 5.6202 5.6209 5.6429 5.6452 6.0013 6.0023 6.4020 6.4022 k = 0.0405 0.3285-0.0753 ( 6764 PWs) bands (ev): -38.2960 -38.2960 -38.2823 -38.2823 -19.5706 -19.5704 -19.5250 -19.5248 -19.2236 -19.2228 -19.1650 -19.1638 -19.1445 -19.1436 -19.1194 -19.1186 -11.7452 -11.7451 -11.7434 -11.7433 -11.7415 -11.7414 -11.7393 -11.7390 -11.3368 -11.3367 -11.3343 -11.3343 -11.2454 -11.2453 -11.2439 -11.2437 -11.2373 -11.2371 -11.2356 -11.2354 -5.2032 -5.2031 -5.1259 -5.1258 -1.1426 -1.1406 -1.1297 -1.1291 -0.5888 -0.5850 -0.3923 -0.3921 0.0878 0.0881 0.2797 0.2806 3.1069 3.1075 4.1525 4.1526 5.6321 5.6326 5.6694 5.6713 6.0036 6.0044 6.3885 6.3890 k = 0.0270 0.3285-0.0753 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2823 -38.2823 -19.5705 -19.5705 -19.5248 -19.5246 -19.2235 -19.2230 -19.1645 -19.1637 -19.1445 -19.1439 -19.1192 -19.1187 -11.7452 -11.7451 -11.7434 -11.7433 -11.7415 -11.7414 -11.7392 -11.7390 -11.3368 -11.3367 -11.3343 -11.3342 -11.2454 -11.2453 -11.2439 -11.2438 -11.2373 -11.2371 -11.2355 -11.2354 -5.2068 -5.2068 -5.1294 -5.1294 -1.1451 -1.1437 -1.1306 -1.1302 -0.5869 -0.5844 -0.3920 -0.3919 0.0938 0.0940 0.2892 0.2898 3.1047 3.1051 4.1477 4.1478 5.6407 5.6411 5.6901 5.6914 6.0051 6.0056 6.3770 6.3774 k = 0.0135 0.3285-0.0753 ( 6762 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2234 -19.2231 -19.1642 -19.1638 -19.1444 -19.1441 -19.1191 -19.1188 -11.7451 -11.7451 -11.7433 -11.7433 -11.7415 -11.7414 -11.7391 -11.7391 -11.3368 -11.3367 -11.3342 -11.3342 -11.2454 -11.2454 -11.2439 -11.2438 -11.2372 -11.2372 -11.2355 -11.2355 -5.2090 -5.2090 -5.1316 -5.1316 -1.1464 -1.1457 -1.1311 -1.1309 -0.5855 -0.5843 -0.3919 -0.3918 0.0975 0.0975 0.2950 0.2953 3.1034 3.1036 4.1449 4.1449 5.6460 5.6462 5.7033 5.7040 6.0060 6.0063 6.3693 6.3696 k = 0.0000 0.3285-0.0753 ( 6764 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2232 -19.2232 -19.1639 -19.1639 -19.1442 -19.1442 -19.1190 -19.1190 -11.7451 -11.7451 -11.7433 -11.7433 -11.7415 -11.7415 -11.7391 -11.7391 -11.3367 -11.3367 -11.3342 -11.3342 -11.2454 -11.2454 -11.2439 -11.2439 -11.2372 -11.2372 -11.2355 -11.2355 -5.2098 -5.2098 -5.1323 -5.1323 -1.1467 -1.1467 -1.1312 -1.1312 -0.5847 -0.5847 -0.3918 -0.3918 0.0987 0.0987 0.2971 0.2971 3.1031 3.1031 4.1439 4.1439 5.6478 5.6478 5.7080 5.7080 6.0064 6.0064 6.3667 6.3667 k = 0.0000 0.3285-0.0753 ( 6764 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2232 -19.2232 -19.1639 -19.1639 -19.1442 -19.1442 -19.1190 -19.1190 -11.7451 -11.7451 -11.7433 -11.7433 -11.7415 -11.7415 -11.7391 -11.7391 -11.3367 -11.3367 -11.3342 -11.3342 -11.2454 -11.2454 -11.2439 -11.2439 -11.2372 -11.2372 -11.2355 -11.2355 -5.2098 -5.2098 -5.1323 -5.1323 -1.1467 -1.1467 -1.1312 -1.1312 -0.5847 -0.5847 -0.3918 -0.3918 0.0987 0.0987 0.2971 0.2971 3.1031 3.1031 4.1439 4.1439 5.6478 5.6478 5.7080 5.7080 6.0064 6.0064 6.3667 6.3667 k = 0.0000 0.3315-0.0619 ( 6762 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2232 -19.2232 -19.1639 -19.1639 -19.1443 -19.1442 -19.1190 -19.1190 -11.7452 -11.7451 -11.7434 -11.7433 -11.7416 -11.7414 -11.7391 -11.7390 -11.3368 -11.3366 -11.3343 -11.3342 -11.2454 -11.2454 -11.2439 -11.2439 -11.2373 -11.2372 -11.2355 -11.2355 -5.2094 -5.2093 -5.1321 -5.1321 -1.1876 -1.1793 -1.1028 -1.0940 -0.5904 -0.5855 -0.3873 -0.3835 0.0984 0.0992 0.2969 0.2974 3.1038 3.1043 4.1443 4.1444 5.6462 5.6472 5.7069 5.7076 6.0091 6.0093 6.3642 6.3664 k = 0.0000 0.3346-0.0485 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2232 -19.1639 -19.1639 -19.1443 -19.1442 -19.1190 -19.1189 -11.7452 -11.7451 -11.7434 -11.7432 -11.7416 -11.7413 -11.7392 -11.7390 -11.3369 -11.3366 -11.3343 -11.3342 -11.2454 -11.2454 -11.2439 -11.2438 -11.2373 -11.2371 -11.2355 -11.2354 -5.2081 -5.2080 -5.1314 -5.1314 -1.2338 -1.2257 -1.0692 -1.0603 -0.5996 -0.5911 -0.3712 -0.3648 0.0983 0.0999 0.2970 0.2979 3.1064 3.1075 4.1454 4.1455 5.6423 5.6444 5.7044 5.7057 6.0173 6.0176 6.3592 6.3636 k = 0.0000 0.3377-0.0350 ( 6768 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5245 -19.2233 -19.2232 -19.1640 -19.1639 -19.1443 -19.1442 -19.1190 -19.1190 -11.7452 -11.7450 -11.7435 -11.7432 -11.7417 -11.7412 -11.7392 -11.7390 -11.3370 -11.3365 -11.3344 -11.3341 -11.2454 -11.2454 -11.2439 -11.2438 -11.2374 -11.2371 -11.2356 -11.2354 -5.2061 -5.2060 -5.1304 -5.1303 -1.2812 -1.2735 -1.0442 -1.0355 -0.6070 -0.5962 -0.3473 -0.3395 0.0985 0.1009 0.2972 0.2986 3.1110 3.1127 4.1472 4.1473 5.6365 5.6393 5.7007 5.7025 6.0304 6.0308 6.3524 6.3585 k = 0.0000 0.3408-0.0216 ( 6770 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2233 -19.2232 -19.1640 -19.1639 -19.1443 -19.1441 -19.1190 -19.1190 -11.7453 -11.7450 -11.7435 -11.7432 -11.7418 -11.7411 -11.7393 -11.7390 -11.3370 -11.3365 -11.3344 -11.3341 -11.2454 -11.2454 -11.2440 -11.2438 -11.2374 -11.2370 -11.2356 -11.2354 -5.2033 -5.2032 -5.1288 -5.1287 -1.3291 -1.3217 -1.0304 -1.0222 -0.6078 -0.5958 -0.3190 -0.3107 0.0991 0.1021 0.2976 0.2995 3.1176 3.1197 4.1496 4.1498 5.6291 5.6323 5.6961 5.6981 6.0475 6.0482 6.3444 6.3521 k = 0.0000 0.3439-0.0082 ( 6775 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2233 -19.2233 -19.1640 -19.1639 -19.1443 -19.1441 -19.1191 -19.1190 -11.7453 -11.7450 -11.7436 -11.7432 -11.7419 -11.7411 -11.7393 -11.7389 -11.3371 -11.3364 -11.3345 -11.3341 -11.2454 -11.2454 -11.2440 -11.2438 -11.2375 -11.2370 -11.2356 -11.2354 -5.2000 -5.1998 -5.1268 -5.1266 -1.3765 -1.3695 -1.0292 -1.0220 -0.5994 -0.5869 -0.2884 -0.2802 0.1000 0.1036 0.2981 0.3004 3.1260 3.1286 4.1524 4.1526 5.6205 5.6239 5.6906 5.6926 6.0679 6.0689 6.3363 6.3451 k = 0.0000 0.3469 0.0052 ( 6779 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2233 -19.2233 -19.1640 -19.1639 -19.1443 -19.1441 -19.1191 -19.1190 -11.7453 -11.7450 -11.7436 -11.7432 -11.7420 -11.7410 -11.7394 -11.7389 -11.3372 -11.3363 -11.3345 -11.3341 -11.2454 -11.2454 -11.2440 -11.2438 -11.2375 -11.2370 -11.2357 -11.2354 -5.1962 -5.1959 -5.1241 -5.1240 -1.4230 -1.4163 -1.0403 -1.0341 -0.5817 -0.5691 -0.2571 -0.2493 0.1015 0.1055 0.2987 0.3015 3.1363 3.1394 4.1556 4.1558 5.6112 5.6146 5.6841 5.6859 6.0907 6.0921 6.3288 6.3385 k = 0.0000 0.3500 0.0187 ( 6767 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2233 -19.2233 -19.1640 -19.1639 -19.1443 -19.1440 -19.1191 -19.1190 -11.7453 -11.7449 -11.7437 -11.7431 -11.7420 -11.7409 -11.7394 -11.7388 -11.3372 -11.3362 -11.3346 -11.3340 -11.2454 -11.2454 -11.2440 -11.2438 -11.2375 -11.2369 -11.2357 -11.2354 -5.1921 -5.1918 -5.1208 -5.1207 -1.4681 -1.4618 -1.0616 -1.0563 -0.5568 -0.5443 -0.2256 -0.2186 0.1036 0.1081 0.2993 0.3026 3.1485 3.1520 4.1589 4.1592 5.6016 5.6048 5.6763 5.6780 6.1148 6.1168 6.3226 6.3330 k = 0.0000 0.3531 0.0321 ( 6761 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2233 -19.2233 -19.1640 -19.1639 -19.1443 -19.1440 -19.1191 -19.1190 -11.7453 -11.7449 -11.7437 -11.7431 -11.7421 -11.7408 -11.7394 -11.7388 -11.3372 -11.3361 -11.3346 -11.3340 -11.2454 -11.2454 -11.2440 -11.2437 -11.2376 -11.2369 -11.2357 -11.2353 -5.1880 -5.1877 -5.1167 -5.1166 -1.5113 -1.5053 -1.0903 -1.0857 -0.5273 -0.5149 -0.1946 -0.1886 0.1065 0.1112 0.3000 0.3037 3.1623 3.1662 4.1623 4.1626 5.5920 5.5950 5.6673 5.6687 6.1392 6.1420 6.3184 6.3292 k = 0.0000 0.3562 0.0455 ( 6761 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2234 -19.2233 -19.1641 -19.1639 -19.1443 -19.1439 -19.1191 -19.1190 -11.7453 -11.7449 -11.7437 -11.7431 -11.7421 -11.7408 -11.7394 -11.7388 -11.3373 -11.3361 -11.3346 -11.3340 -11.2454 -11.2454 -11.2440 -11.2437 -11.2376 -11.2368 -11.2357 -11.2354 -5.1841 -5.1838 -5.1117 -5.1116 -1.5523 -1.5467 -1.1240 -1.1201 -0.4956 -0.4834 -0.1643 -0.1596 0.1101 0.1152 0.3006 0.3048 3.1778 3.1821 4.1656 4.1659 5.5828 5.5855 5.6569 5.6581 6.1626 6.1665 6.3163 6.3273 k = 0.0000 0.3593 0.0590 ( 6762 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2234 -19.2233 -19.1641 -19.1639 -19.1442 -19.1439 -19.1191 -19.1190 -11.7453 -11.7448 -11.7438 -11.7431 -11.7421 -11.7408 -11.7394 -11.7388 -11.3373 -11.3360 -11.3347 -11.3340 -11.2454 -11.2454 -11.2440 -11.2437 -11.2376 -11.2368 -11.2358 -11.2354 -5.1808 -5.1805 -5.1057 -5.1055 -1.5908 -1.5856 -1.1611 -1.1575 -0.4637 -0.4516 -0.1351 -0.1316 0.1146 0.1202 0.3012 0.3059 3.1949 3.1994 4.1686 4.1689 5.5740 5.5765 5.6452 5.6462 6.1837 6.1889 6.3164 6.3270 k = 0.0000 0.3623 0.0724 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5247 -19.5246 -19.2234 -19.2233 -19.1641 -19.1639 -19.1442 -19.1439 -19.1191 -19.1190 -11.7453 -11.7448 -11.7438 -11.7431 -11.7422 -11.7408 -11.7394 -11.7387 -11.3373 -11.3360 -11.3347 -11.3340 -11.2454 -11.2454 -11.2441 -11.2437 -11.2376 -11.2368 -11.2358 -11.2354 -5.1783 -5.1779 -5.0985 -5.0983 -1.6265 -1.6216 -1.1999 -1.1966 -0.4329 -0.4209 -0.1073 -0.1048 0.1201 0.1263 0.3016 0.3070 3.2132 3.2179 4.1713 4.1716 5.5659 5.5680 5.6323 5.6334 6.2016 6.2078 6.3178 6.3270 k = 0.0000 0.3654 0.0858 ( 6750 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5246 -19.2234 -19.2234 -19.1641 -19.1639 -19.1442 -19.1438 -19.1191 -19.1190 -11.7453 -11.7448 -11.7438 -11.7431 -11.7422 -11.7408 -11.7394 -11.7387 -11.3373 -11.3359 -11.3347 -11.3340 -11.2454 -11.2454 -11.2440 -11.2437 -11.2376 -11.2368 -11.2358 -11.2353 -5.1767 -5.1763 -5.0902 -5.0900 -1.6590 -1.6545 -1.2396 -1.2364 -0.4044 -0.3924 -0.0813 -0.0786 0.1265 0.1335 0.3019 0.3082 3.2327 3.2376 4.1736 4.1739 5.5585 5.5603 5.6187 5.6200 6.2156 6.2225 6.3192 6.3261 k = 0.0000 0.3685 0.0993 ( 6749 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5247 -19.5246 -19.2234 -19.2234 -19.1641 -19.1639 -19.1441 -19.1438 -19.1191 -19.1190 -11.7453 -11.7448 -11.7438 -11.7430 -11.7422 -11.7408 -11.7393 -11.7386 -11.3373 -11.3359 -11.3347 -11.3340 -11.2454 -11.2454 -11.2440 -11.2437 -11.2376 -11.2368 -11.2358 -11.2353 -5.1761 -5.1758 -5.0807 -5.0806 -1.6883 -1.6842 -1.2794 -1.2763 -0.3786 -0.3669 -0.0572 -0.0533 0.1337 0.1420 0.3022 0.3095 3.2531 3.2581 4.1755 4.1757 5.5517 5.5533 5.6048 5.6063 6.2253 6.2325 6.3196 6.3238 k = 0.0000 0.3716 0.1127 ( 6750 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5247 -19.5246 -19.2235 -19.2234 -19.1641 -19.1640 -19.1441 -19.1438 -19.1191 -19.1190 -11.7453 -11.7448 -11.7439 -11.7430 -11.7422 -11.7409 -11.7393 -11.7386 -11.3373 -11.3359 -11.3347 -11.3340 -11.2454 -11.2454 -11.2441 -11.2437 -11.2376 -11.2368 -11.2358 -11.2353 -5.1767 -5.1764 -5.0704 -5.0703 -1.7141 -1.7103 -1.3186 -1.3157 -0.3563 -0.3447 -0.0347 -0.0294 0.1418 0.1516 0.3024 0.3110 3.2741 3.2791 4.1769 4.1772 5.5457 5.5470 5.5909 5.5926 6.2306 6.2376 6.3186 6.3212 k = 0.0000 0.3747 0.1261 ( 6754 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5247 -19.5246 -19.2235 -19.2234 -19.1641 -19.1640 -19.1441 -19.1437 -19.1191 -19.1190 -11.7453 -11.7448 -11.7439 -11.7430 -11.7422 -11.7409 -11.7393 -11.7386 -11.3373 -11.3359 -11.3347 -11.3340 -11.2454 -11.2454 -11.2441 -11.2437 -11.2376 -11.2368 -11.2358 -11.2353 -5.1785 -5.1781 -5.0592 -5.0591 -1.7362 -1.7328 -1.3569 -1.3539 -0.3374 -0.3263 -0.0139 -0.0073 0.1506 0.1621 0.3028 0.3128 3.2953 3.3003 4.1779 4.1782 5.5402 5.5413 5.5776 5.5796 6.2315 6.2380 6.3160 6.3197 k = 0.0000 0.3777 0.1395 ( 6754 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5705 -19.5247 -19.5246 -19.2235 -19.2235 -19.1642 -19.1640 -19.1441 -19.1437 -19.1191 -19.1190 -11.7453 -11.7448 -11.7439 -11.7430 -11.7422 -11.7410 -11.7392 -11.7386 -11.3373 -11.3359 -11.3347 -11.3340 -11.2454 -11.2454 -11.2441 -11.2438 -11.2376 -11.2368 -11.2358 -11.2353 -5.1813 -5.1810 -5.0473 -5.0473 -1.7545 -1.7514 -1.3936 -1.3907 -0.3222 -0.3115 0.0049 0.0127 0.1598 0.1732 0.3034 0.3153 3.3165 3.3214 4.1785 4.1788 5.5349 5.5359 5.5656 5.5676 6.2283 6.2341 6.3115 6.3171 k = 0.0000 0.3808 0.1530 ( 6768 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2235 -19.2235 -19.1642 -19.1640 -19.1441 -19.1437 -19.1191 -19.1190 -11.7453 -11.7449 -11.7439 -11.7431 -11.7423 -11.7411 -11.7392 -11.7386 -11.3373 -11.3360 -11.3347 -11.3341 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2369 -11.2358 -11.2353 -5.1853 -5.1850 -5.0350 -5.0350 -1.7689 -1.7662 -1.4286 -1.4257 -0.3103 -0.3002 0.0216 0.0301 0.1695 0.1847 0.3044 0.3184 3.3372 3.3419 4.1788 4.1790 5.5293 5.5305 5.5556 5.5574 6.2220 6.2270 6.3038 6.3104 k = 0.0000 0.3839 0.1664 ( 6763 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2236 -19.2235 -19.1642 -19.1640 -19.1440 -19.1437 -19.1191 -19.1190 -11.7453 -11.7449 -11.7439 -11.7431 -11.7422 -11.7411 -11.7391 -11.7386 -11.3373 -11.3360 -11.3347 -11.3341 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2369 -11.2357 -11.2353 -5.1904 -5.1901 -5.0223 -5.0223 -1.7793 -1.7770 -1.4613 -1.4584 -0.3017 -0.2923 0.0355 0.0445 0.1793 0.1963 0.3061 0.3225 3.3570 3.3614 4.1787 4.1790 5.5227 5.5244 5.5486 5.5499 6.2135 6.2176 6.2935 6.3002 k = 0.0000 0.3870 0.1798 ( 6763 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5706 -19.5706 -19.5247 -19.5247 -19.2236 -19.2236 -19.1642 -19.1640 -19.1440 -19.1437 -19.1191 -19.1190 -11.7453 -11.7449 -11.7439 -11.7431 -11.7422 -11.7412 -11.7391 -11.7386 -11.3373 -11.3360 -11.3346 -11.3341 -11.2455 -11.2454 -11.2441 -11.2438 -11.2376 -11.2369 -11.2357 -11.2353 -5.1966 -5.1964 -5.0095 -5.0094 -1.7858 -1.7838 -1.4916 -1.4886 -0.2960 -0.2873 0.0462 0.0556 0.1891 0.2077 0.3087 0.3277 3.3755 3.3796 4.1784 4.1787 5.5148 5.5172 5.5448 5.5457 6.2034 6.2067 6.2822 6.2889 k = 0.5000 0.2699 0.3305 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7459 -11.7452 -11.7450 -11.7415 -11.7410 -11.7405 -11.7401 -11.3398 -11.3397 -11.3371 -11.3370 -11.2438 -11.2437 -11.2423 -11.2421 -11.2348 -11.2347 -11.2331 -11.2330 -4.6275 -4.6274 -4.6255 -4.6254 -1.3858 -1.3857 -1.3633 -1.3632 -0.9327 -0.9324 -0.9024 -0.9021 -0.0440 -0.0440 -0.0042 -0.0042 3.8965 3.8965 3.8990 3.8990 5.2597 5.2598 5.2606 5.2606 5.7207 5.7207 5.7260 5.7260 k = 0.5000 0.2564 0.3305 ( 6788 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7459 -11.7452 -11.7449 -11.7416 -11.7411 -11.7405 -11.7401 -11.3398 -11.3396 -11.3371 -11.3370 -11.2439 -11.2437 -11.2423 -11.2421 -11.2348 -11.2347 -11.2331 -11.2330 -4.6288 -4.6288 -4.6269 -4.6268 -1.3958 -1.3957 -1.3738 -1.3737 -0.9165 -0.9162 -0.8854 -0.8852 -0.0448 -0.0448 -0.0051 -0.0051 3.9081 3.9082 3.9108 3.9109 5.2560 5.2560 5.2569 5.2569 5.7051 5.7051 5.7110 5.7110 k = 0.5000 0.2429 0.3305 ( 6786 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7458 -11.7452 -11.7449 -11.7416 -11.7411 -11.7405 -11.7401 -11.3398 -11.3396 -11.3371 -11.3370 -11.2439 -11.2437 -11.2422 -11.2421 -11.2348 -11.2346 -11.2331 -11.2330 -4.6306 -4.6305 -4.6287 -4.6286 -1.4057 -1.4056 -1.3843 -1.3842 -0.8983 -0.8981 -0.8667 -0.8665 -0.0464 -0.0464 -0.0068 -0.0068 3.9215 3.9216 3.9244 3.9244 5.2488 5.2488 5.2498 5.2498 5.6896 5.6897 5.6961 5.6961 k = 0.5000 0.2294 0.3305 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1269 -19.1269 -11.7461 -11.7458 -11.7452 -11.7448 -11.7416 -11.7411 -11.7405 -11.7401 -11.3397 -11.3396 -11.3372 -11.3370 -11.2439 -11.2438 -11.2422 -11.2421 -11.2347 -11.2346 -11.2331 -11.2330 -4.6327 -4.6326 -4.6308 -4.6307 -1.4153 -1.4152 -1.3947 -1.3945 -0.8786 -0.8783 -0.8464 -0.8462 -0.0488 -0.0488 -0.0095 -0.0094 3.9365 3.9366 3.9396 3.9396 5.2377 5.2377 5.2388 5.2389 5.6753 5.6753 5.6821 5.6821 k = 0.5000 0.2159 0.3305 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5593 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7461 -11.7458 -11.7452 -11.7447 -11.7417 -11.7411 -11.7405 -11.7401 -11.3397 -11.3395 -11.3372 -11.3370 -11.2439 -11.2438 -11.2422 -11.2421 -11.2347 -11.2346 -11.2331 -11.2330 -4.6351 -4.6350 -4.6333 -4.6331 -1.4246 -1.4245 -1.4048 -1.4046 -0.8573 -0.8571 -0.8249 -0.8247 -0.0521 -0.0521 -0.0130 -0.0130 3.9529 3.9530 3.9562 3.9563 5.2224 5.2224 5.2236 5.2237 5.6628 5.6628 5.6698 5.6698 k = 0.5000 0.2025 0.3305 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7461 -11.7457 -11.7452 -11.7447 -11.7417 -11.7412 -11.7405 -11.7401 -11.3397 -11.3394 -11.3372 -11.3370 -11.2440 -11.2438 -11.2423 -11.2421 -11.2347 -11.2346 -11.2331 -11.2330 -4.6377 -4.6376 -4.6359 -4.6358 -1.4335 -1.4333 -1.4145 -1.4144 -0.8349 -0.8347 -0.8022 -0.8020 -0.0563 -0.0562 -0.0175 -0.0174 3.9706 3.9707 3.9741 3.9741 5.2027 5.2027 5.2042 5.2043 5.6526 5.6526 5.6595 5.6595 k = 0.5000 0.1890 0.3305 ( 6786 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7461 -11.7457 -11.7452 -11.7446 -11.7417 -11.7412 -11.7405 -11.7401 -11.3396 -11.3394 -11.3372 -11.3370 -11.2440 -11.2438 -11.2423 -11.2421 -11.2347 -11.2346 -11.2331 -11.2330 -4.6405 -4.6404 -4.6388 -4.6387 -1.4419 -1.4417 -1.4239 -1.4238 -0.8114 -0.8112 -0.7786 -0.7784 -0.0613 -0.0612 -0.0228 -0.0228 3.9894 3.9894 3.9930 3.9930 5.1789 5.1789 5.1808 5.1808 5.6449 5.6449 5.6516 5.6516 k = 0.5000 0.1755 0.3305 ( 6788 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7461 -11.7457 -11.7451 -11.7446 -11.7418 -11.7412 -11.7405 -11.7401 -11.3396 -11.3393 -11.3373 -11.3371 -11.2440 -11.2438 -11.2422 -11.2421 -11.2347 -11.2345 -11.2331 -11.2330 -4.6435 -4.6433 -4.6419 -4.6417 -1.4497 -1.4495 -1.4328 -1.4327 -0.7871 -0.7869 -0.7544 -0.7542 -0.0671 -0.0670 -0.0291 -0.0291 4.0089 4.0090 4.0127 4.0127 5.1515 5.1515 5.1538 5.1538 5.6396 5.6396 5.6459 5.6459 k = 0.5000 0.1620 0.3305 ( 6796 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5593 -19.5592 -19.5580 -19.5579 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7461 -11.7457 -11.7451 -11.7445 -11.7418 -11.7413 -11.7405 -11.7401 -11.3395 -11.3393 -11.3373 -11.3371 -11.2440 -11.2439 -11.2423 -11.2421 -11.2346 -11.2345 -11.2331 -11.2330 -4.6465 -4.6464 -4.6450 -4.6448 -1.4570 -1.4568 -1.4412 -1.4411 -0.7623 -0.7621 -0.7298 -0.7296 -0.0737 -0.0736 -0.0363 -0.0362 4.0291 4.0292 4.0329 4.0330 5.1212 5.1212 5.1240 5.1240 5.6364 5.6364 5.6422 5.6422 k = 0.5000 0.1485 0.3305 ( 6800 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1268 -11.7461 -11.7457 -11.7451 -11.7445 -11.7418 -11.7413 -11.7405 -11.7401 -11.3395 -11.3392 -11.3374 -11.3371 -11.2441 -11.2439 -11.2423 -11.2421 -11.2346 -11.2345 -11.2331 -11.2330 -4.6495 -4.6494 -4.6481 -4.6479 -1.4637 -1.4636 -1.4491 -1.4489 -0.7371 -0.7369 -0.7051 -0.7049 -0.0809 -0.0809 -0.0442 -0.0442 4.0496 4.0497 4.0535 4.0536 5.0889 5.0889 5.0922 5.0922 5.6348 5.6348 5.6401 5.6401 k = 0.5000 0.1350 0.3305 ( 6802 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1268 -19.1267 -11.7461 -11.7456 -11.7450 -11.7445 -11.7418 -11.7413 -11.7405 -11.7402 -11.3394 -11.3392 -11.3374 -11.3372 -11.2441 -11.2439 -11.2423 -11.2421 -11.2346 -11.2345 -11.2331 -11.2330 -4.6525 -4.6524 -4.6512 -4.6510 -1.4698 -1.4697 -1.4564 -1.4563 -0.7119 -0.7117 -0.6805 -0.6803 -0.0888 -0.0888 -0.0529 -0.0529 4.0702 4.0703 4.0742 4.0742 5.0555 5.0555 5.0592 5.0592 5.6344 5.6344 5.6392 5.6392 k = 0.5000 0.1215 0.3305 ( 6804 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7460 -11.7456 -11.7450 -11.7445 -11.7418 -11.7414 -11.7405 -11.7402 -11.3394 -11.3391 -11.3375 -11.3372 -11.2441 -11.2440 -11.2423 -11.2422 -11.2346 -11.2345 -11.2331 -11.2330 -4.6554 -4.6552 -4.6541 -4.6540 -1.4753 -1.4752 -1.4632 -1.4630 -0.6870 -0.6868 -0.6564 -0.6562 -0.0972 -0.0971 -0.0623 -0.0623 4.0907 4.0907 4.0946 4.0947 5.0219 5.0220 5.0260 5.0260 5.6348 5.6348 5.6390 5.6390 k = 0.5000 0.1080 0.3305 ( 6804 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7460 -11.7456 -11.7450 -11.7445 -11.7419 -11.7414 -11.7405 -11.7402 -11.3393 -11.3391 -11.3375 -11.3373 -11.2441 -11.2440 -11.2423 -11.2422 -11.2346 -11.2345 -11.2331 -11.2330 -4.6581 -4.6580 -4.6570 -4.6568 -1.4802 -1.4800 -1.4693 -1.4691 -0.6625 -0.6624 -0.6331 -0.6329 -0.1058 -0.1057 -0.0722 -0.0722 4.1106 4.1106 4.1145 4.1145 4.9890 4.9890 4.9934 4.9934 5.6356 5.6356 5.6393 5.6393 k = 0.5000 0.0945 0.3305 ( 6792 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7459 -11.7456 -11.7449 -11.7444 -11.7418 -11.7414 -11.7405 -11.7402 -11.3392 -11.3390 -11.3375 -11.3373 -11.2441 -11.2440 -11.2422 -11.2421 -11.2345 -11.2344 -11.2331 -11.2330 -4.6606 -4.6605 -4.6596 -4.6595 -1.4844 -1.4842 -1.4748 -1.4746 -0.6390 -0.6388 -0.6110 -0.6108 -0.1145 -0.1144 -0.0825 -0.0824 4.1296 4.1297 4.1335 4.1335 4.9576 4.9576 4.9622 4.9622 5.6366 5.6366 5.6398 5.6399 k = 0.5000 0.0810 0.3305 ( 6790 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7459 -11.7456 -11.7448 -11.7444 -11.7418 -11.7414 -11.7405 -11.7402 -11.3392 -11.3389 -11.3375 -11.3373 -11.2441 -11.2440 -11.2422 -11.2421 -11.2345 -11.2344 -11.2331 -11.2330 -4.6629 -4.6628 -4.6620 -4.6618 -1.4880 -1.4878 -1.4797 -1.4795 -0.6168 -0.6166 -0.5906 -0.5904 -0.1230 -0.1229 -0.0928 -0.0928 4.1475 4.1475 4.1512 4.1512 4.9284 4.9284 4.9331 4.9331 5.6376 5.6376 5.6404 5.6404 k = 0.5000 0.0675 0.3305 ( 6796 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7459 -11.7456 -11.7448 -11.7444 -11.7418 -11.7415 -11.7405 -11.7403 -11.3391 -11.3389 -11.3376 -11.3374 -11.2441 -11.2440 -11.2422 -11.2422 -11.2345 -11.2344 -11.2331 -11.2331 -4.6649 -4.6647 -4.6641 -4.6640 -1.4909 -1.4908 -1.4839 -1.4838 -0.5963 -0.5961 -0.5723 -0.5721 -0.1310 -0.1309 -0.1030 -0.1029 4.1637 4.1637 4.1673 4.1673 4.9021 4.9021 4.9069 4.9070 5.6386 5.6386 5.6408 5.6409 k = 0.5000 0.0540 0.3305 ( 6792 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7458 -11.7456 -11.7447 -11.7444 -11.7418 -11.7415 -11.7405 -11.7403 -11.3390 -11.3389 -11.3376 -11.3374 -11.2441 -11.2440 -11.2422 -11.2422 -11.2345 -11.2344 -11.2331 -11.2331 -4.6666 -4.6664 -4.6659 -4.6657 -1.4932 -1.4931 -1.4875 -1.4874 -0.5780 -0.5779 -0.5567 -0.5566 -0.1380 -0.1379 -0.1126 -0.1125 4.1779 4.1779 4.1812 4.1813 4.8794 4.8794 4.8843 4.8843 5.6394 5.6394 5.6412 5.6412 k = 0.5000 0.0405 0.3305 ( 6790 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5580 -19.5580 -19.2064 -19.2064 -19.2010 -19.2010 -19.1308 -19.1308 -19.1267 -19.1267 -11.7458 -11.7456 -11.7447 -11.7445 -11.7417 -11.7415 -11.7405 -11.7403 -11.3390 -11.3388 -11.3376 -11.3374 -11.2441 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2331 -11.2330 -4.6679 -4.6677 -4.6673 -4.6672 -1.4949 -1.4947 -1.4905 -1.4903 -0.5625 -0.5624 -0.5443 -0.5441 -0.1437 -0.1437 -0.1211 -0.1210 4.1895 4.1896 4.1927 4.1927 4.8610 4.8610 4.8659 4.8659 5.6400 5.6400 5.6414 5.6414 k = 0.5000 0.0270 0.3305 ( 6778 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7446 -11.7445 -11.7417 -11.7415 -11.7405 -11.7404 -11.3389 -11.3388 -11.3376 -11.3375 -11.2440 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2331 -11.2330 -4.6688 -4.6687 -4.6683 -4.6682 -1.4959 -1.4958 -1.4927 -1.4925 -0.5505 -0.5504 -0.5354 -0.5353 -0.1479 -0.1478 -0.1279 -0.1278 4.1983 4.1983 4.2013 4.2013 4.8474 4.8474 4.8523 4.8523 5.6405 5.6405 5.6414 5.6414 k = 0.5000 0.0135 0.3305 ( 6774 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7446 -11.7445 -11.7416 -11.7416 -11.7404 -11.7404 -11.3389 -11.3388 -11.3375 -11.3375 -11.2440 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2330 -11.2330 -4.6694 -4.6693 -4.6689 -4.6689 -1.4964 -1.4962 -1.4942 -1.4941 -0.5427 -0.5426 -0.5302 -0.5301 -0.1503 -0.1503 -0.1324 -0.1323 4.2037 4.2037 4.2066 4.2066 4.8391 4.8391 4.8439 4.8439 5.6409 5.6409 5.6414 5.6414 k = 0.5000-0.0000 0.3305 ( 6776 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7456 -11.7445 -11.7445 -11.7416 -11.7416 -11.7404 -11.7404 -11.3388 -11.3388 -11.3375 -11.3375 -11.2440 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2330 -11.2330 -4.6695 -4.6695 -4.6691 -4.6691 -1.4964 -1.4964 -1.4947 -1.4947 -0.5399 -0.5399 -0.5285 -0.5285 -0.1511 -0.1511 -0.1340 -0.1340 4.2055 4.2055 4.2083 4.2083 4.8362 4.8362 4.8411 4.8411 5.6411 5.6411 5.6413 5.6413 k = 0.5000-0.0000 0.3305 ( 6776 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7456 -11.7445 -11.7445 -11.7416 -11.7416 -11.7404 -11.7404 -11.3388 -11.3388 -11.3375 -11.3375 -11.2440 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2330 -11.2330 -4.6695 -4.6695 -4.6691 -4.6691 -1.4964 -1.4964 -1.4947 -1.4947 -0.5399 -0.5399 -0.5285 -0.5285 -0.1511 -0.1511 -0.1340 -0.1340 4.2055 4.2055 4.2083 4.2083 4.8362 4.8362 4.8411 4.8411 5.6411 5.6411 5.6413 5.6413 k = 0.5000-0.0000 0.3167 ( 6776 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7446 -11.7445 -11.7416 -11.7416 -11.7404 -11.7404 -11.3389 -11.3388 -11.3376 -11.3375 -11.2440 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2330 -11.2330 -4.6698 -4.6698 -4.6694 -4.6694 -1.4954 -1.4953 -1.4936 -1.4935 -0.5398 -0.5397 -0.5283 -0.5283 -0.1519 -0.1519 -0.1347 -0.1347 4.2058 4.2058 4.2086 4.2087 4.8369 4.8369 4.8418 4.8418 5.6373 5.6374 5.6383 5.6383 k = 0.5000-0.0000 0.3030 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7446 -11.7445 -11.7416 -11.7416 -11.7404 -11.7404 -11.3389 -11.3388 -11.3376 -11.3375 -11.2440 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2331 -11.2330 -4.6707 -4.6707 -4.6703 -4.6703 -1.4922 -1.4921 -1.4902 -1.4902 -0.5394 -0.5394 -0.5277 -0.5276 -0.1543 -0.1543 -0.1368 -0.1368 4.2067 4.2067 4.2096 4.2096 4.8390 4.8390 4.8439 4.8439 5.6270 5.6271 5.6288 5.6289 k = 0.5000-0.0000 0.2892 ( 6780 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7456 -11.7446 -11.7444 -11.7416 -11.7416 -11.7404 -11.7404 -11.3389 -11.3387 -11.3376 -11.3374 -11.2441 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2331 -11.2330 -4.6722 -4.6721 -4.6718 -4.6717 -1.4869 -1.4868 -1.4847 -1.4846 -0.5388 -0.5387 -0.5266 -0.5265 -0.1582 -0.1582 -0.1404 -0.1403 4.2082 4.2083 4.2111 4.2112 4.8423 4.8423 4.8472 4.8472 5.6109 5.6109 5.6134 5.6135 k = 0.5000-0.0000 0.2754 ( 6780 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7455 -11.7447 -11.7444 -11.7416 -11.7416 -11.7404 -11.7404 -11.3389 -11.3387 -11.3376 -11.3374 -11.2441 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2331 -11.2330 -4.6742 -4.6741 -4.6738 -4.6737 -1.4795 -1.4794 -1.4770 -1.4769 -0.5379 -0.5379 -0.5251 -0.5250 -0.1636 -0.1636 -0.1452 -0.1452 4.2104 4.2105 4.2134 4.2134 4.8465 4.8465 4.8516 4.8516 5.5897 5.5897 5.5929 5.5929 k = 0.5000-0.0000 0.2617 ( 6780 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7455 -11.7447 -11.7444 -11.7416 -11.7416 -11.7405 -11.7403 -11.3389 -11.3387 -11.3376 -11.3374 -11.2441 -11.2440 -11.2422 -11.2422 -11.2345 -11.2344 -11.2331 -11.2330 -4.6768 -4.6766 -4.6764 -4.6761 -1.4702 -1.4700 -1.4674 -1.4672 -0.5369 -0.5368 -0.5233 -0.5232 -0.1704 -0.1704 -0.1514 -0.1514 4.2134 4.2134 4.2163 4.2164 4.8515 4.8515 4.8567 4.8567 5.5645 5.5646 5.5683 5.5683 k = 0.5000-0.0000 0.2479 ( 6774 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7455 -11.7447 -11.7443 -11.7416 -11.7415 -11.7404 -11.7403 -11.3390 -11.3386 -11.3377 -11.3373 -11.2440 -11.2440 -11.2422 -11.2422 -11.2345 -11.2344 -11.2330 -11.2329 -4.6797 -4.6795 -4.6793 -4.6791 -1.4589 -1.4588 -1.4558 -1.4556 -0.5357 -0.5356 -0.5211 -0.5210 -0.1786 -0.1786 -0.1588 -0.1588 4.2170 4.2170 4.2200 4.2201 4.8567 4.8567 4.8621 4.8621 5.5364 5.5364 5.5406 5.5406 k = 0.5000-0.0000 0.2341 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7455 -11.7447 -11.7443 -11.7416 -11.7416 -11.7405 -11.7403 -11.3390 -11.3386 -11.3377 -11.3373 -11.2440 -11.2440 -11.2422 -11.2422 -11.2345 -11.2344 -11.2330 -11.2329 -4.6831 -4.6829 -4.6827 -4.6824 -1.4460 -1.4458 -1.4425 -1.4423 -0.5343 -0.5342 -0.5187 -0.5186 -0.1880 -0.1880 -0.1674 -0.1673 4.2214 4.2215 4.2245 4.2245 4.8619 4.8619 4.8675 4.8675 5.5062 5.5063 5.5108 5.5108 k = 0.5000-0.0000 0.2203 ( 6788 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7455 -11.7447 -11.7443 -11.7417 -11.7416 -11.7405 -11.7403 -11.3390 -11.3386 -11.3377 -11.3373 -11.2440 -11.2440 -11.2422 -11.2422 -11.2345 -11.2344 -11.2330 -11.2329 -4.6869 -4.6866 -4.6864 -4.6861 -1.4314 -1.4312 -1.4276 -1.4275 -0.5329 -0.5328 -0.5161 -0.5160 -0.1986 -0.1985 -0.1769 -0.1769 4.2266 4.2267 4.2297 4.2298 4.8665 4.8666 4.8723 4.8723 5.4749 5.4750 5.4797 5.4797 k = 0.5000-0.0000 0.2066 ( 6790 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7455 -11.7448 -11.7443 -11.7417 -11.7416 -11.7405 -11.7403 -11.3390 -11.3386 -11.3377 -11.3373 -11.2440 -11.2440 -11.2423 -11.2422 -11.2346 -11.2344 -11.2330 -11.2329 -4.6909 -4.6906 -4.6904 -4.6901 -1.4154 -1.4152 -1.4114 -1.4112 -0.5315 -0.5314 -0.5134 -0.5133 -0.2101 -0.2101 -0.1873 -0.1872 4.2326 4.2326 4.2357 4.2358 4.8703 4.8703 4.8762 4.8762 5.4432 5.4433 5.4482 5.4482 k = 0.5000-0.0000 0.1928 ( 6792 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7455 -11.7448 -11.7443 -11.7417 -11.7416 -11.7405 -11.7403 -11.3390 -11.3386 -11.3378 -11.3373 -11.2440 -11.2440 -11.2423 -11.2422 -11.2346 -11.2344 -11.2330 -11.2329 -4.6951 -4.6948 -4.6946 -4.6943 -1.3982 -1.3980 -1.3940 -1.3938 -0.5302 -0.5301 -0.5106 -0.5105 -0.2224 -0.2224 -0.1984 -0.1983 4.2393 4.2394 4.2425 4.2426 4.8727 4.8727 4.8788 4.8788 5.4118 5.4118 5.4168 5.4169 k = 0.5000-0.0000 0.1790 ( 6802 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7455 -11.7448 -11.7443 -11.7417 -11.7416 -11.7405 -11.7403 -11.3390 -11.3385 -11.3378 -11.3373 -11.2441 -11.2440 -11.2423 -11.2423 -11.2346 -11.2345 -11.2330 -11.2329 -4.6994 -4.6991 -4.6989 -4.6986 -1.3801 -1.3799 -1.3756 -1.3754 -0.5290 -0.5289 -0.5079 -0.5077 -0.2354 -0.2353 -0.2100 -0.2100 4.2468 4.2468 4.2500 4.2501 4.8736 4.8736 4.8798 4.8798 5.3811 5.3812 5.3862 5.3862 k = 0.5000-0.0000 0.1653 ( 6802 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7455 -11.7448 -11.7443 -11.7417 -11.7415 -11.7405 -11.7403 -11.3390 -11.3385 -11.3378 -11.3373 -11.2440 -11.2440 -11.2423 -11.2423 -11.2346 -11.2345 -11.2330 -11.2328 -4.7037 -4.7035 -4.7033 -4.7030 -1.3612 -1.3610 -1.3566 -1.3564 -0.5280 -0.5279 -0.5053 -0.5052 -0.2487 -0.2487 -0.2219 -0.2219 4.2549 4.2549 4.2581 4.2582 4.8729 4.8729 4.8791 4.8792 5.3516 5.3516 5.3566 5.3566 k = 0.5000-0.0000 0.1515 ( 6802 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7455 -11.7448 -11.7443 -11.7416 -11.7415 -11.7405 -11.7403 -11.3390 -11.3385 -11.3378 -11.3373 -11.2440 -11.2440 -11.2423 -11.2423 -11.2346 -11.2345 -11.2330 -11.2328 -4.7081 -4.7078 -4.7076 -4.7073 -1.3419 -1.3416 -1.3372 -1.3369 -0.5274 -0.5273 -0.5029 -0.5028 -0.2622 -0.2622 -0.2340 -0.2340 4.2635 4.2636 4.2668 4.2668 4.8704 4.8704 4.8767 4.8768 5.3235 5.3236 5.3284 5.3284 k = 0.5000-0.0000 0.1377 ( 6796 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7454 -11.7448 -11.7443 -11.7416 -11.7415 -11.7405 -11.7403 -11.3390 -11.3385 -11.3378 -11.3373 -11.2440 -11.2439 -11.2423 -11.2423 -11.2346 -11.2345 -11.2329 -11.2328 -4.7123 -4.7120 -4.7118 -4.7116 -1.3223 -1.3221 -1.3176 -1.3174 -0.5270 -0.5269 -0.5009 -0.5008 -0.2756 -0.2756 -0.2460 -0.2459 4.2725 4.2726 4.2758 4.2758 4.8665 4.8665 4.8728 4.8728 5.2970 5.2971 5.3017 5.3017 k = 0.5000-0.0000 0.1239 ( 6800 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7459 -11.7454 -11.7448 -11.7443 -11.7416 -11.7415 -11.7405 -11.7403 -11.3389 -11.3385 -11.3378 -11.3373 -11.2440 -11.2439 -11.2423 -11.2423 -11.2347 -11.2345 -11.2329 -11.2328 -4.7164 -4.7161 -4.7159 -4.7156 -1.3030 -1.3028 -1.2983 -1.2981 -0.5271 -0.5271 -0.4994 -0.4993 -0.2886 -0.2886 -0.2576 -0.2575 4.2817 4.2818 4.2849 4.2850 4.8613 4.8613 4.8676 4.8676 5.2723 5.2723 5.2766 5.2767 k = 0.5000-0.0000 0.1102 ( 6798 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7454 -11.7448 -11.7443 -11.7416 -11.7415 -11.7405 -11.7403 -11.3389 -11.3385 -11.3378 -11.3373 -11.2440 -11.2439 -11.2423 -11.2423 -11.2347 -11.2345 -11.2329 -11.2328 -4.7202 -4.7199 -4.7198 -4.7195 -1.2841 -1.2839 -1.2796 -1.2794 -0.5277 -0.5276 -0.4985 -0.4984 -0.3009 -0.3009 -0.2686 -0.2685 4.2910 4.2910 4.2941 4.2941 4.8553 4.8554 4.8615 4.8615 5.2493 5.2493 5.2533 5.2534 k = 0.5000-0.0000 0.0964 ( 6798 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7454 -11.7447 -11.7443 -11.7416 -11.7415 -11.7405 -11.7403 -11.3389 -11.3384 -11.3378 -11.3373 -11.2440 -11.2439 -11.2424 -11.2423 -11.2347 -11.2346 -11.2329 -11.2328 -4.7237 -4.7235 -4.7233 -4.7231 -1.2661 -1.2659 -1.2618 -1.2616 -0.5286 -0.5286 -0.4981 -0.4980 -0.3122 -0.3122 -0.2788 -0.2788 4.3000 4.3000 4.3029 4.3030 4.8490 4.8490 4.8549 4.8550 5.2282 5.2282 5.2318 5.2319 k = 0.5000-0.0000 0.0826 ( 6794 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7458 -11.7454 -11.7447 -11.7443 -11.7416 -11.7415 -11.7404 -11.7403 -11.3388 -11.3384 -11.3378 -11.3374 -11.2439 -11.2439 -11.2424 -11.2423 -11.2347 -11.2346 -11.2328 -11.2327 -4.7269 -4.7267 -4.7265 -4.7263 -1.2494 -1.2491 -1.2454 -1.2451 -0.5300 -0.5299 -0.4984 -0.4983 -0.3223 -0.3223 -0.2880 -0.2879 4.3085 4.3086 4.3113 4.3114 4.8427 4.8427 4.8484 4.8485 5.2091 5.2091 5.2123 5.2123 k = 0.5000-0.0000 0.0689 ( 6780 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7454 -11.7447 -11.7443 -11.7415 -11.7414 -11.7404 -11.7403 -11.3388 -11.3384 -11.3377 -11.3374 -11.2439 -11.2439 -11.2423 -11.2423 -11.2346 -11.2346 -11.2328 -11.2327 -4.7297 -4.7295 -4.7293 -4.7291 -1.2342 -1.2339 -1.2307 -1.2304 -0.5315 -0.5315 -0.4992 -0.4991 -0.3309 -0.3309 -0.2960 -0.2959 4.3164 4.3164 4.3189 4.3190 4.8368 4.8369 4.8424 4.8424 5.1923 5.1923 5.1950 5.1950 k = 0.5000-0.0000 0.0551 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7454 -11.7447 -11.7444 -11.7415 -11.7415 -11.7404 -11.7403 -11.3387 -11.3385 -11.3377 -11.3374 -11.2439 -11.2438 -11.2423 -11.2423 -11.2346 -11.2346 -11.2328 -11.2327 -4.7320 -4.7318 -4.7316 -4.7314 -1.2211 -1.2208 -1.2181 -1.2178 -0.5332 -0.5331 -0.5004 -0.5003 -0.3380 -0.3379 -0.3027 -0.3026 4.3232 4.3233 4.3255 4.3255 4.8317 4.8318 4.8371 4.8371 5.1779 5.1779 5.1801 5.1801 k = 0.5000-0.0000 0.0413 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7457 -11.7455 -11.7446 -11.7444 -11.7415 -11.7414 -11.7404 -11.7403 -11.3387 -11.3385 -11.3377 -11.3374 -11.2439 -11.2438 -11.2423 -11.2423 -11.2346 -11.2346 -11.2328 -11.2327 -4.7339 -4.7337 -4.7335 -4.7333 -1.2103 -1.2100 -1.2079 -1.2077 -0.5348 -0.5347 -0.5017 -0.5017 -0.3434 -0.3433 -0.3079 -0.3079 4.3288 4.3289 4.3308 4.3308 4.8276 4.8277 4.8328 4.8328 5.1663 5.1663 5.1680 5.1680 k = 0.5000-0.0000 0.0275 ( 6784 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5591 -19.5591 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7455 -11.7446 -11.7445 -11.7415 -11.7414 -11.7404 -11.7403 -11.3387 -11.3385 -11.3376 -11.3375 -11.2439 -11.2439 -11.2423 -11.2423 -11.2346 -11.2346 -11.2327 -11.2327 -4.7352 -4.7351 -4.7348 -4.7347 -1.2022 -1.2019 -1.2006 -1.2003 -0.5361 -0.5360 -0.5030 -0.5030 -0.3472 -0.3472 -0.3117 -0.3117 4.3330 4.3331 4.3347 4.3347 4.8247 4.8247 4.8297 4.8297 5.1578 5.1579 5.1590 5.1590 k = 0.5000-0.0000 0.0138 ( 6782 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5590 -19.5590 -19.5579 -19.5579 -19.2063 -19.2063 -19.2009 -19.2009 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7455 -11.7446 -11.7445 -11.7415 -11.7414 -11.7403 -11.7403 -11.3386 -11.3385 -11.3376 -11.3375 -11.2439 -11.2439 -11.2423 -11.2423 -11.2346 -11.2346 -11.2327 -11.2327 -4.7360 -4.7359 -4.7356 -4.7355 -1.1970 -1.1968 -1.1962 -1.1959 -0.5369 -0.5369 -0.5039 -0.5038 -0.3494 -0.3494 -0.3140 -0.3140 4.3357 4.3357 4.3371 4.3371 4.8229 4.8229 4.8278 4.8278 5.1528 5.1528 5.1533 5.1534 k = 0.5000-0.0000-0.0000 ( 6766 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5590 -19.5590 -19.5578 -19.5578 -19.2062 -19.2062 -19.2008 -19.2008 -19.1308 -19.1308 -19.1266 -19.1266 -11.7455 -11.7455 -11.7445 -11.7445 -11.7414 -11.7414 -11.7403 -11.7403 -11.3385 -11.3385 -11.3375 -11.3375 -11.2438 -11.2438 -11.2423 -11.2423 -11.2346 -11.2346 -11.2327 -11.2327 -4.7362 -4.7362 -4.7358 -4.7358 -1.1950 -1.1950 -1.1947 -1.1947 -0.5372 -0.5372 -0.5041 -0.5041 -0.3501 -0.3501 -0.3148 -0.3148 4.3366 4.3366 4.3379 4.3379 4.8223 4.8223 4.8271 4.8271 5.1512 5.1512 5.1513 5.1513 k = 0.0000 0.0000 0.3305 ( 6760 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5245 -19.5245 -19.2233 -19.2233 -19.1637 -19.1637 -19.1442 -19.1442 -19.1191 -19.1191 -11.7455 -11.7455 -11.7429 -11.7429 -11.7413 -11.7413 -11.7391 -11.7391 -11.3370 -11.3370 -11.3336 -11.3336 -11.2453 -11.2453 -11.2442 -11.2442 -11.2371 -11.2371 -11.2355 -11.2355 -5.2962 -5.2962 -5.0386 -5.0386 -1.1964 -1.1964 -1.0940 -1.0940 -0.7423 -0.7423 -0.3386 -0.3386 0.1880 0.1880 0.2855 0.2855 3.3948 3.3948 4.0753 4.0753 5.6517 5.6517 5.6972 5.6972 5.8557 5.8557 6.1786 6.1786 k = 0.0135-0.0000 0.3305 ( 6754 PWs) bands (ev): -38.2960 -38.2960 -38.2822 -38.2822 -19.5705 -19.5705 -19.5246 -19.5245 -19.2234 -19.2231 -19.1640 -19.1636 -19.1443 -19.1440 -19.1193 -19.1190 -11.7455 -11.7454 -11.7429 -11.7428 -11.7413 -11.7412 -11.7391 -11.7390 -11.3370 -11.3370 -11.3337 -11.3336 -11.2453 -11.2453 -11.2443 -11.2442 -11.2371 -11.2370 -11.2355 -11.2354 -5.2954 -5.2954 -5.0379 -5.0379 -1.1962 -1.1955 -1.0942 -1.0940 -0.7426 -0.7416 -0.3385 -0.3382 0.1860 0.1861 0.2837 0.2837 3.3958 3.3958 4.0760 4.0760 5.6491 5.6491 5.6956 5.6959 5.8571 5.8575 6.1766 6.1771 k = 0.0270-0.0000 0.3305 ( 6762 PWs) bands (ev): -38.2960 -38.2960 -38.2823 -38.2823 -19.5705 -19.5704 -19.5247 -19.5246 -19.2235 -19.2230 -19.1644 -19.1635 -19.1444 -19.1438 -19.1194 -19.1189 -11.7455 -11.7454 -11.7430 -11.7428 -11.7413 -11.7412 -11.7392 -11.7390 -11.3371 -11.3370 -11.3337 -11.3336 -11.2454 -11.2453 -11.2443 -11.2441 -11.2371 -11.2370 -11.2355 -11.2354 -5.2930 -5.2930 -5.0359 -5.0359 -1.1949 -1.1934 -1.0948 -1.0944 -0.7423 -0.7403 -0.3382 -0.3375 0.1802 0.1803 0.2783 0.2785 3.3988 3.3988 4.0781 4.0782 5.6417 5.6417 5.6911 5.6916 5.8614 5.8620 6.1709 6.1720 k = 0.0405-0.0000 0.3305 ( 6772 PWs) bands (ev): -38.2960 -38.2960 -38.2823 -38.2823 -19.5706 -19.5704 -19.5250 -19.5248 -19.2236 -19.2228 -19.1648 -19.1636 -19.1445 -19.1436 -19.1196 -19.1188 -11.7456 -11.7454 -11.7431 -11.7428 -11.7413 -11.7412 -11.7393 -11.7390 -11.3371 -11.3370 -11.3338 -11.3337 -11.2454 -11.2453 -11.2443 -11.2441 -11.2372 -11.2370 -11.2356 -11.2353 -5.2892 -5.2892 -5.0325 -5.0325 -1.1925 -1.1902 -1.0957 -1.0951 -0.7416 -0.7386 -0.3375 -0.3364 0.1705 0.1707 0.2696 0.2698 3.4038 3.4038 4.0817 4.0818 5.6302 5.6303 5.6836 5.6845 5.8677 5.8686 6.1614 6.1630 k = 0.0541-0.0000 0.3305 ( 6776 PWs) bands (ev): -38.2959 -38.2959 -38.2823 -38.2823 -19.5706 -19.5704 -19.5253 -19.5250 -19.2236 -19.2226 -19.1654 -19.1638 -19.1445 -19.1433 -19.1197 -19.1187 -11.7456 -11.7454 -11.7432 -11.7428 -11.7414 -11.7412 -11.7393 -11.7390 -11.3372 -11.3370 -11.3339 -11.3337 -11.2454 -11.2452 -11.2443 -11.2440 -11.2372 -11.2369 -11.2356 -11.2353 -5.2838 -5.2837 -5.0278 -5.0278 -1.1889 -1.1858 -1.0969 -1.0962 -0.7404 -0.7364 -0.3364 -0.3351 0.1571 0.1574 0.2576 0.2578 3.4107 3.4107 4.0867 4.0868 5.6158 5.6159 5.6733 5.6745 5.8750 5.8763 6.1478 6.1498 k = 0.0676-0.0000 0.3305 ( 6776 PWs) bands (ev): -38.2958 -38.2958 -38.2824 -38.2824 -19.5706 -19.5704 -19.5257 -19.5254 -19.2237 -19.2224 -19.1661 -19.1641 -19.1444 -19.1430 -19.1198 -19.1186 -11.7456 -11.7454 -11.7432 -11.7428 -11.7414 -11.7412 -11.7394 -11.7390 -11.3373 -11.3370 -11.3339 -11.3337 -11.2454 -11.2452 -11.2443 -11.2439 -11.2372 -11.2369 -11.2356 -11.2352 -5.2768 -5.2768 -5.0218 -5.0217 -1.1843 -1.1804 -1.0986 -1.0977 -0.7389 -0.7339 -0.3351 -0.3334 0.1403 0.1407 0.2426 0.2429 3.4196 3.4196 4.0931 4.0932 5.5992 5.5994 5.6602 5.6617 5.8825 5.8840 6.1298 6.1323 k = 0.0811-0.0000 0.3305 ( 6774 PWs) bands (ev): -38.2958 -38.2958 -38.2824 -38.2824 -19.5706 -19.5703 -19.5262 -19.5258 -19.2237 -19.2222 -19.1668 -19.1645 -19.1444 -19.1427 -19.1200 -19.1185 -11.7457 -11.7454 -11.7433 -11.7427 -11.7414 -11.7412 -11.7394 -11.7389 -11.3373 -11.3371 -11.3340 -11.3338 -11.2454 -11.2451 -11.2443 -11.2438 -11.2372 -11.2368 -11.2356 -11.2351 -5.2684 -5.2684 -5.0144 -5.0144 -1.1787 -1.1739 -1.1008 -1.0998 -0.7371 -0.7310 -0.3334 -0.3316 0.1203 0.1207 0.2248 0.2251 3.4304 3.4304 4.1008 4.1010 5.5812 5.5815 5.6443 5.6461 5.8894 5.8911 6.1075 6.1102 k = 0.0946-0.0000 0.3305 ( 6770 PWs) bands (ev): -38.2957 -38.2957 -38.2825 -38.2825 -19.5705 -19.5702 -19.5267 -19.5262 -19.2237 -19.2220 -19.1676 -19.1650 -19.1442 -19.1424 -19.1201 -19.1184 -11.7457 -11.7454 -11.7433 -11.7427 -11.7414 -11.7412 -11.7395 -11.7389 -11.3374 -11.3371 -11.3341 -11.3338 -11.2453 -11.2451 -11.2443 -11.2437 -11.2372 -11.2367 -11.2356 -11.2350 -5.2585 -5.2584 -5.0059 -5.0058 -1.1721 -1.1665 -1.1037 -1.1025 -0.7352 -0.7280 -0.3316 -0.3295 0.0973 0.0978 0.2046 0.2049 3.4430 3.4430 4.1098 4.1100 5.5623 5.5627 5.6255 5.6278 5.8952 5.8970 6.0812 6.0840 k = 0.1081-0.0000 0.3305 ( 6776 PWs) bands (ev): -38.2955 -38.2955 -38.2825 -38.2825 -19.5705 -19.5702 -19.5273 -19.5268 -19.2237 -19.2217 -19.1685 -19.1656 -19.1441 -19.1420 -19.1203 -19.1184 -11.7457 -11.7454 -11.7434 -11.7427 -11.7414 -11.7412 -11.7395 -11.7389 -11.3375 -11.3371 -11.3342 -11.3339 -11.2453 -11.2450 -11.2443 -11.2436 -11.2372 -11.2367 -11.2356 -11.2349 -5.2471 -5.2471 -4.9961 -4.9960 -1.1646 -1.1581 -1.1073 -1.1059 -0.7334 -0.7250 -0.3296 -0.3274 0.0717 0.0723 0.1824 0.1826 3.4574 3.4574 4.1201 4.1203 5.5429 5.5434 5.6040 5.6066 5.8994 5.9014 6.0515 6.0543 k = 0.1216-0.0000 0.3305 ( 6772 PWs) bands (ev): -38.2954 -38.2954 -38.2826 -38.2826 -19.5705 -19.5701 -19.5280 -19.5274 -19.2236 -19.2214 -19.1694 -19.1663 -19.1439 -19.1416 -19.1204 -19.1184 -11.7458 -11.7454 -11.7435 -11.7427 -11.7415 -11.7412 -11.7396 -11.7389 -11.3375 -11.3372 -11.3343 -11.3340 -11.2453 -11.2450 -11.2442 -11.2435 -11.2372 -11.2366 -11.2355 -11.2348 -5.2343 -5.2343 -4.9852 -4.9851 -1.1564 -1.1491 -1.1117 -1.1101 -0.7317 -0.7222 -0.3275 -0.3253 0.0440 0.0446 0.1585 0.1586 3.4735 3.4735 4.1315 4.1317 5.5233 5.5239 5.5796 5.5825 5.9018 5.9039 6.0196 6.0223 k = 0.1351-0.0000 0.3305 ( 6772 PWs) bands (ev): -38.2953 -38.2953 -38.2827 -38.2827 -19.5705 -19.5700 -19.5287 -19.5281 -19.2235 -19.2211 -19.1704 -19.1670 -19.1437 -19.1412 -19.1206 -19.1183 -11.7458 -11.7454 -11.7436 -11.7428 -11.7415 -11.7412 -11.7397 -11.7389 -11.3376 -11.3372 -11.3344 -11.3341 -11.2453 -11.2449 -11.2442 -11.2433 -11.2371 -11.2365 -11.2355 -11.2347 -5.2202 -5.2201 -4.9732 -4.9731 -1.1478 -1.1397 -1.1169 -1.1150 -0.7306 -0.7198 -0.3254 -0.3233 0.0146 0.0153 0.1333 0.1335 3.4912 3.4913 4.1440 4.1442 5.5036 5.5042 5.5524 5.5557 5.9021 5.9043 5.9866 5.9892 k = 0.1486-0.0000 0.3305 ( 6782 PWs) bands (ev): -38.2951 -38.2951 -38.2828 -38.2828 -19.5704 -19.5699 -19.5296 -19.5289 -19.2234 -19.2208 -19.1715 -19.1679 -19.1434 -19.1408 -19.1208 -19.1183 -11.7458 -11.7454 -11.7437 -11.7428 -11.7415 -11.7412 -11.7397 -11.7389 -11.3377 -11.3373 -11.3346 -11.3342 -11.2452 -11.2448 -11.2441 -11.2432 -11.2371 -11.2364 -11.2355 -11.2346 -5.2047 -5.2047 -4.9601 -4.9600 -1.1397 -1.1322 -1.1222 -1.1186 -0.7301 -0.7180 -0.3234 -0.3215 -0.0159 -0.0151 0.1074 0.1078 3.5104 3.5106 4.1574 4.1577 5.4838 5.4845 5.5223 5.5259 5.9004 5.9025 5.9538 5.9562 k = 0.1622-0.0000 0.3305 ( 6776 PWs) bands (ev): -38.2949 -38.2949 -38.2829 -38.2829 -19.5703 -19.5698 -19.5304 -19.5297 -19.2233 -19.2204 -19.1726 -19.1688 -19.1432 -19.1404 -19.1210 -19.1183 -11.7459 -11.7454 -11.7437 -11.7428 -11.7415 -11.7412 -11.7398 -11.7389 -11.3378 -11.3373 -11.3347 -11.3343 -11.2452 -11.2448 -11.2441 -11.2431 -11.2370 -11.2363 -11.2354 -11.2345 -5.1880 -5.1879 -4.9461 -4.9460 -1.1377 -1.1344 -1.1223 -1.1134 -0.7305 -0.7171 -0.3216 -0.3201 -0.0467 -0.0460 0.0812 0.0821 3.5312 3.5313 4.1716 4.1719 5.4640 5.4647 5.4896 5.4934 5.8965 5.8985 5.9221 5.9243 k = 0.1757-0.0000 0.3305 ( 6790 PWs) bands (ev): -38.2948 -38.2948 -38.2830 -38.2830 -19.5703 -19.5697 -19.5314 -19.5306 -19.2231 -19.2201 -19.1738 -19.1698 -19.1429 -19.1400 -19.1212 -19.1184 -11.7459 -11.7454 -11.7438 -11.7429 -11.7416 -11.7412 -11.7399 -11.7390 -11.3379 -11.3374 -11.3349 -11.3344 -11.2452 -11.2447 -11.2440 -11.2430 -11.2370 -11.2362 -11.2354 -11.2344 -5.1700 -5.1700 -4.9312 -4.9311 -1.1451 -1.1430 -1.1143 -1.1031 -0.7323 -0.7174 -0.3202 -0.3192 -0.0773 -0.0766 0.0552 0.0567 3.5532 3.5534 4.1865 4.1868 5.4439 5.4443 5.4546 5.4582 5.8899 5.8903 5.8943 5.8946 k = 0.1892-0.0000 0.3305 ( 6788 PWs) bands (ev): -38.2946 -38.2946 -38.2831 -38.2831 -19.5702 -19.5696 -19.5324 -19.5315 -19.2229 -19.2197 -19.1751 -19.1709 -19.1425 -19.1395 -19.1214 -19.1185 -11.7459 -11.7454 -11.7439 -11.7429 -11.7416 -11.7412 -11.7400 -11.7390 -11.3380 -11.3375 -11.3351 -11.3346 -11.2451 -11.2447 -11.2439 -11.2429 -11.2370 -11.2361 -11.2353 -11.2343 -5.1509 -5.1509 -4.9155 -4.9154 -1.1559 -1.1541 -1.1047 -1.0919 -0.7355 -0.7193 -0.3192 -0.3191 -0.1069 -0.1062 0.0300 0.0323 3.5765 3.5768 4.2018 4.2021 5.4153 5.4202 5.4241 5.4257 5.8638 5.8662 5.8826 5.8848 k = 0.2027-0.0000 0.3305 ( 6790 PWs) bands (ev): -38.2944 -38.2944 -38.2833 -38.2833 -19.5700 -19.5694 -19.5334 -19.5325 -19.2226 -19.2192 -19.1763 -19.1720 -19.1422 -19.1391 -19.1216 -19.1186 -11.7460 -11.7454 -11.7440 -11.7430 -11.7416 -11.7412 -11.7400 -11.7391 -11.3381 -11.3375 -11.3352 -11.3347 -11.2451 -11.2446 -11.2439 -11.2428 -11.2369 -11.2360 -11.2352 -11.2342 -5.1308 -5.1307 -4.8992 -4.8990 -1.1689 -1.1672 -1.0951 -1.0810 -0.7405 -0.7228 -0.3198 -0.3189 -0.1346 -0.1341 0.0061 0.0093 3.6010 3.6012 4.2173 4.2177 5.3761 5.3811 5.4030 5.4045 5.8385 5.8409 5.8728 5.8747 k = 0.2162-0.0000 0.3305 ( 6784 PWs) bands (ev): -38.2941 -38.2941 -38.2834 -38.2834 -19.5699 -19.5692 -19.5345 -19.5335 -19.2223 -19.2188 -19.1776 -19.1732 -19.1418 -19.1386 -19.1218 -19.1187 -11.7459 -11.7454 -11.7440 -11.7430 -11.7416 -11.7412 -11.7401 -11.7391 -11.3382 -11.3376 -11.3354 -11.3348 -11.2450 -11.2445 -11.2438 -11.2427 -11.2368 -11.2358 -11.2351 -11.2341 -5.1096 -5.1096 -4.8822 -4.8821 -1.1838 -1.1822 -1.0863 -1.0708 -0.7472 -0.7282 -0.3215 -0.3194 -0.1596 -0.1594 -0.0161 -0.0118 3.6264 3.6268 4.2329 4.2333 5.3352 5.3402 5.3815 5.3831 5.8157 5.8181 5.8614 5.8630 k = 0.2297-0.0000 0.3305 ( 6794 PWs) bands (ev): -38.2939 -38.2939 -38.2835 -38.2835 -19.5697 -19.5690 -19.5356 -19.5346 -19.2220 -19.2183 -19.1790 -19.1744 -19.1414 -19.1381 -19.1221 -19.1188 -11.7460 -11.7455 -11.7441 -11.7431 -11.7417 -11.7412 -11.7401 -11.7391 -11.3383 -11.3377 -11.3356 -11.3350 -11.2450 -11.2445 -11.2437 -11.2426 -11.2367 -11.2357 -11.2350 -11.2340 -5.0876 -5.0875 -4.8648 -4.8647 -1.2006 -1.1991 -1.0790 -1.0623 -0.7553 -0.7352 -0.3244 -0.3208 -0.1816 -0.1814 -0.0364 -0.0306 3.6528 3.6532 4.2483 4.2486 5.2933 5.2984 5.3590 5.3607 5.7952 5.7976 5.8486 5.8500 k = 0.2432-0.0000 0.3305 ( 6800 PWs) bands (ev): -38.2937 -38.2937 -38.2837 -38.2837 -19.5696 -19.5688 -19.5368 -19.5357 -19.2217 -19.2178 -19.1803 -19.1756 -19.1410 -19.1376 -19.1224 -19.1190 -11.7460 -11.7455 -11.7442 -11.7431 -11.7417 -11.7412 -11.7402 -11.7392 -11.3384 -11.3378 -11.3357 -11.3352 -11.2449 -11.2444 -11.2436 -11.2425 -11.2366 -11.2356 -11.2350 -11.2339 -5.0647 -5.0646 -4.8471 -4.8469 -1.2192 -1.2178 -1.0742 -1.0565 -0.7641 -0.7433 -0.3284 -0.3232 -0.2002 -0.1996 -0.0542 -0.0469 3.6799 3.6804 4.2631 4.2635 5.2510 5.2562 5.3354 5.3372 5.7770 5.7795 5.8348 5.8358 k = 0.2568-0.0000 0.3305 ( 6788 PWs) bands (ev): -38.2934 -38.2934 -38.2839 -38.2839 -19.5693 -19.5686 -19.5379 -19.5369 -19.2212 -19.2172 -19.1817 -19.1769 -19.1405 -19.1370 -19.1226 -19.1192 -11.7460 -11.7455 -11.7442 -11.7432 -11.7417 -11.7412 -11.7403 -11.7392 -11.3384 -11.3378 -11.3359 -11.3353 -11.2448 -11.2444 -11.2435 -11.2424 -11.2365 -11.2354 -11.2348 -11.2337 -5.0412 -5.0411 -4.8291 -4.8290 -1.2394 -1.2382 -1.0728 -1.0544 -0.7724 -0.7515 -0.3336 -0.3268 -0.2150 -0.2137 -0.0696 -0.0605 3.7077 3.7082 4.2773 4.2777 5.2089 5.2142 5.3106 5.3123 5.7608 5.7634 5.8202 5.8209 k = 0.2703-0.0000 0.3305 ( 6792 PWs) bands (ev): -38.2932 -38.2932 -38.2840 -38.2840 -19.5691 -19.5683 -19.5391 -19.5380 -19.2208 -19.2166 -19.1831 -19.1782 -19.1401 -19.1365 -19.1229 -19.1194 -11.7460 -11.7455 -11.7443 -11.7433 -11.7417 -11.7412 -11.7403 -11.7393 -11.3385 -11.3379 -11.3361 -11.3355 -11.2448 -11.2443 -11.2434 -11.2423 -11.2364 -11.2353 -11.2348 -11.2337 -5.0170 -5.0169 -4.8112 -4.8110 -1.2611 -1.2600 -1.0760 -1.0577 -0.7788 -0.7586 -0.3399 -0.3314 -0.2259 -0.2240 -0.0825 -0.0717 3.7360 3.7366 4.2904 4.2909 5.1675 5.1728 5.2843 5.2860 5.7463 5.7491 5.8051 5.8055 k = 0.2838-0.0000 0.3305 ( 6790 PWs) bands (ev): -38.2929 -38.2929 -38.2842 -38.2842 -19.5688 -19.5680 -19.5403 -19.5392 -19.2203 -19.2160 -19.1845 -19.1795 -19.1396 -19.1360 -19.1232 -19.1196 -11.7460 -11.7455 -11.7444 -11.7433 -11.7417 -11.7412 -11.7404 -11.7394 -11.3386 -11.3379 -11.3363 -11.3356 -11.2447 -11.2443 -11.2434 -11.2423 -11.2363 -11.2352 -11.2347 -11.2335 -4.9924 -4.9923 -4.7934 -4.7932 -1.2840 -1.2830 -1.0847 -1.0672 -0.7818 -0.7631 -0.3471 -0.3371 -0.2333 -0.2306 -0.0930 -0.0804 3.7647 3.7654 4.3023 4.3029 5.1271 5.1324 5.2565 5.2581 5.7335 5.7363 5.7898 5.7899 k = 0.2973-0.0000 0.3305 ( 6780 PWs) bands (ev): -38.2926 -38.2926 -38.2844 -38.2844 -19.5685 -19.5677 -19.5416 -19.5404 -19.2197 -19.2153 -19.1859 -19.1809 -19.1391 -19.1354 -19.1236 -19.1199 -11.7460 -11.7455 -11.7444 -11.7434 -11.7417 -11.7412 -11.7404 -11.7394 -11.3387 -11.3380 -11.3364 -11.3357 -11.2447 -11.2442 -11.2432 -11.2422 -11.2361 -11.2350 -11.2346 -11.2334 -4.9675 -4.9674 -4.7758 -4.7756 -1.3078 -1.3069 -1.0994 -1.0834 -0.7804 -0.7641 -0.3551 -0.3438 -0.2373 -0.2337 -0.1013 -0.0871 3.7937 3.7946 4.3127 4.3133 5.0882 5.0935 5.2274 5.2287 5.7220 5.7249 5.7743 5.7745 k = 0.3108-0.0000 0.3305 ( 6786 PWs) bands (ev): -38.2924 -38.2924 -38.2846 -38.2846 -19.5682 -19.5673 -19.5428 -19.5417 -19.2192 -19.2146 -19.1873 -19.1822 -19.1386 -19.1349 -19.1240 -19.1202 -11.7460 -11.7455 -11.7445 -11.7435 -11.7417 -11.7413 -11.7405 -11.7395 -11.3387 -11.3380 -11.3366 -11.3359 -11.2446 -11.2442 -11.2432 -11.2421 -11.2360 -11.2349 -11.2345 -11.2333 -4.9424 -4.9423 -4.7587 -4.7586 -1.3321 -1.3312 -1.1199 -1.1058 -0.7745 -0.7611 -0.3638 -0.3513 -0.2384 -0.2340 -0.1077 -0.0922 3.8229 3.8239 4.3213 4.3220 5.0512 5.0565 5.1969 5.1980 5.7116 5.7145 5.7591 5.7594 k = 0.3243-0.0000 0.3305 ( 6780 PWs) bands (ev): -38.2921 -38.2921 -38.2848 -38.2848 -19.5678 -19.5669 -19.5441 -19.5429 -19.2185 -19.2139 -19.1888 -19.1836 -19.1381 -19.1343 -19.1243 -19.1205 -11.7460 -11.7455 -11.7445 -11.7435 -11.7417 -11.7412 -11.7405 -11.7395 -11.3388 -11.3381 -11.3367 -11.3360 -11.2445 -11.2441 -11.2431 -11.2421 -11.2359 -11.2347 -11.2344 -11.2333 -4.9173 -4.9172 -4.7423 -4.7421 -1.3564 -1.3557 -1.1454 -1.1334 -0.7647 -0.7543 -0.3731 -0.3597 -0.2371 -0.2317 -0.1125 -0.0958 3.8522 3.8533 4.3279 4.3288 5.0162 5.0215 5.1654 5.1662 5.7022 5.7051 5.7444 5.7447 k = 0.3378-0.0000 0.3305 ( 6784 PWs) bands (ev): -38.2918 -38.2918 -38.2850 -38.2850 -19.5674 -19.5665 -19.5454 -19.5442 -19.2179 -19.2131 -19.1902 -19.1850 -19.1376 -19.1337 -19.1247 -19.1209 -11.7460 -11.7455 -11.7446 -11.7436 -11.7418 -11.7413 -11.7406 -11.7396 -11.3389 -11.3381 -11.3369 -11.3362 -11.2445 -11.2441 -11.2430 -11.2420 -11.2357 -11.2346 -11.2343 -11.2332 -4.8923 -4.8922 -4.7268 -4.7266 -1.3805 -1.3797 -1.1747 -1.1646 -0.7518 -0.7442 -0.3829 -0.3687 -0.2338 -0.2275 -0.1162 -0.0985 3.8815 3.8827 4.3324 4.3334 4.9837 4.9890 5.1332 5.1336 5.6936 5.6965 5.7302 5.7305 k = 0.3514-0.0000 0.3305 ( 6792 PWs) bands (ev): -38.2915 -38.2915 -38.2853 -38.2853 -19.5670 -19.5660 -19.5466 -19.5454 -19.2172 -19.2123 -19.1916 -19.1864 -19.1370 -19.1331 -19.1252 -19.1212 -11.7460 -11.7455 -11.7447 -11.7437 -11.7418 -11.7413 -11.7406 -11.7397 -11.3389 -11.3382 -11.3370 -11.3364 -11.2444 -11.2441 -11.2429 -11.2420 -11.2356 -11.2345 -11.2342 -11.2331 -4.8676 -4.8675 -4.7123 -4.7121 -1.4037 -1.4029 -1.2067 -1.1982 -0.7365 -0.7316 -0.3931 -0.3784 -0.2290 -0.2217 -0.1190 -0.1006 3.9107 3.9121 4.3346 4.3358 4.9537 4.9590 5.1006 5.1007 5.6857 5.6885 5.7169 5.7171 k = 0.3649-0.0000 0.3305 ( 6792 PWs) bands (ev): -38.2912 -38.2912 -38.2855 -38.2855 -19.5665 -19.5655 -19.5479 -19.5467 -19.2164 -19.2115 -19.1931 -19.1878 -19.1365 -19.1325 -19.1256 -19.1216 -11.7459 -11.7455 -11.7447 -11.7438 -11.7418 -11.7413 -11.7407 -11.7398 -11.3390 -11.3383 -11.3372 -11.3365 -11.2444 -11.2441 -11.2428 -11.2420 -11.2355 -11.2344 -11.2341 -11.2331 -4.8434 -4.8433 -4.6990 -4.6988 -1.4256 -1.4249 -1.2401 -1.2330 -0.7195 -0.7169 -0.4037 -0.3886 -0.2230 -0.2146 -0.1212 -0.1022 3.9398 3.9413 4.3345 4.3358 4.9266 4.9319 5.0677 5.0684 5.6785 5.6812 5.7044 5.7045 k = 0.3784-0.0000 0.3305 ( 6788 PWs) bands (ev): -38.2909 -38.2909 -38.2857 -38.2857 -19.5660 -19.5649 -19.5491 -19.5479 -19.2156 -19.2106 -19.1945 -19.1892 -19.1359 -19.1319 -19.1261 -19.1221 -11.7459 -11.7455 -11.7447 -11.7439 -11.7418 -11.7413 -11.7407 -11.7398 -11.3390 -11.3383 -11.3373 -11.3366 -11.2444 -11.2440 -11.2428 -11.2420 -11.2353 -11.2344 -11.2340 -11.2330 -4.8199 -4.8198 -4.6872 -4.6870 -1.4458 -1.4451 -1.2740 -1.2680 -0.7012 -0.7007 -0.4148 -0.3995 -0.2161 -0.2067 -0.1231 -0.1037 3.9686 3.9703 4.3319 4.3334 4.9025 4.9078 5.0354 5.0366 5.6718 5.6743 5.6929 5.6929 k = 0.3919-0.0000 0.3305 ( 6794 PWs) bands (ev): -38.2906 -38.2906 -38.2860 -38.2860 -19.5654 -19.5643 -19.5504 -19.5491 -19.2147 -19.2097 -19.1959 -19.1906 -19.1354 -19.1314 -19.1265 -19.1225 -11.7459 -11.7455 -11.7448 -11.7439 -11.7418 -11.7414 -11.7407 -11.7399 -11.3390 -11.3384 -11.3374 -11.3368 -11.2443 -11.2440 -11.2427 -11.2420 -11.2352 -11.2343 -11.2339 -11.2330 -4.7972 -4.7971 -4.6770 -4.6768 -1.4640 -1.4632 -1.3076 -1.3024 -0.6835 -0.6822 -0.4263 -0.4110 -0.2086 -0.1982 -0.1249 -0.1053 3.9972 3.9991 4.3268 4.3286 4.8815 4.8868 5.0040 5.0058 5.6657 5.6679 5.6823 5.6824 k = 0.4054-0.0000 0.3305 ( 6792 PWs) bands (ev): -38.2903 -38.2903 -38.2862 -38.2862 -19.5648 -19.5637 -19.5516 -19.5503 -19.2138 -19.2087 -19.1973 -19.1919 -19.1348 -19.1308 -19.1270 -19.1230 -11.7459 -11.7455 -11.7448 -11.7440 -11.7418 -11.7414 -11.7407 -11.7400 -11.3390 -11.3384 -11.3375 -11.3369 -11.2443 -11.2440 -11.2426 -11.2420 -11.2351 -11.2343 -11.2337 -11.2329 -4.7757 -4.7755 -4.6685 -4.6683 -1.4796 -1.4788 -1.3400 -1.3356 -0.6656 -0.6627 -0.4384 -0.4232 -0.2008 -0.1895 -0.1267 -0.1070 4.0254 4.0274 4.3192 4.3212 4.8637 4.8690 4.9741 4.9764 5.6600 5.6621 5.6729 5.6731 k = 0.4189-0.0000 0.3305 ( 6792 PWs) bands (ev): -38.2900 -38.2900 -38.2865 -38.2865 -19.5641 -19.5630 -19.5527 -19.5515 -19.2129 -19.2077 -19.1986 -19.1932 -19.1342 -19.1302 -19.1275 -19.1234 -11.7459 -11.7455 -11.7448 -11.7441 -11.7418 -11.7414 -11.7407 -11.7400 -11.3390 -11.3385 -11.3376 -11.3370 -11.2442 -11.2440 -11.2426 -11.2420 -11.2349 -11.2343 -11.2336 -11.2329 -4.7553 -4.7552 -4.6620 -4.6618 -1.4924 -1.4915 -1.3707 -1.3670 -0.6474 -0.6429 -0.4510 -0.4360 -0.1929 -0.1806 -0.1288 -0.1091 4.0532 4.0554 4.3092 4.3115 4.8493 4.8545 4.9461 4.9489 5.6550 5.6568 5.6647 5.6649 k = 0.4324-0.0000 0.3305 ( 6798 PWs) bands (ev): -38.2897 -38.2897 -38.2868 -38.2868 -19.5634 -19.5623 -19.5539 -19.5527 -19.2119 -19.2067 -19.2000 -19.1946 -19.1337 -19.1296 -19.1280 -19.1239 -11.7459 -11.7456 -11.7448 -11.7442 -11.7418 -11.7415 -11.7406 -11.7401 -11.3390 -11.3386 -11.3376 -11.3372 -11.2442 -11.2440 -11.2425 -11.2420 -11.2348 -11.2343 -11.2335 -11.2329 -4.7364 -4.7363 -4.6576 -4.6574 -1.5021 -1.5011 -1.3993 -1.3960 -0.6289 -0.6230 -0.4642 -0.4496 -0.1850 -0.1718 -0.1312 -0.1117 4.0805 4.0828 4.2969 4.2994 4.8382 4.8435 4.9204 4.9237 5.6506 5.6521 5.6577 5.6580 k = 0.4459-0.0000 0.3305 ( 6788 PWs) bands (ev): -38.2894 -38.2894 -38.2870 -38.2870 -19.5627 -19.5615 -19.5550 -19.5538 -19.2109 -19.2056 -19.2013 -19.1959 -19.1331 -19.1290 -19.1286 -19.1244 -11.7458 -11.7455 -11.7448 -11.7443 -11.7417 -11.7415 -11.7406 -11.7402 -11.3390 -11.3386 -11.3376 -11.3372 -11.2442 -11.2440 -11.2424 -11.2421 -11.2347 -11.2343 -11.2334 -11.2329 -4.7191 -4.7190 -4.6554 -4.6552 -1.5083 -1.5073 -1.4252 -1.4223 -0.6105 -0.6034 -0.4780 -0.4639 -0.1774 -0.1633 -0.1340 -0.1149 4.1071 4.1096 4.2824 4.2850 4.8307 4.8360 4.8974 4.9011 5.6470 5.6482 5.6519 5.6522 k = 0.4595-0.0000 0.3305 ( 6782 PWs) bands (ev): -38.2891 -38.2891 -38.2873 -38.2873 -19.5618 -19.5607 -19.5561 -19.5549 -19.2098 -19.2045 -19.2026 -19.1972 -19.1325 -19.1291 -19.1284 -19.1250 -11.7458 -11.7456 -11.7447 -11.7443 -11.7417 -11.7415 -11.7406 -11.7402 -11.3390 -11.3387 -11.3376 -11.3373 -11.2441 -11.2440 -11.2423 -11.2421 -11.2346 -11.2343 -11.2333 -11.2329 -4.7037 -4.7035 -4.6554 -4.6552 -1.5110 -1.5098 -1.4481 -1.4456 -0.5923 -0.5840 -0.4925 -0.4789 -0.1701 -0.1552 -0.1374 -0.1186 4.1331 4.1358 4.2659 4.2686 4.8268 4.8319 4.8772 4.8813 5.6441 5.6451 5.6475 5.6477 k = 0.4730-0.0000 0.3305 ( 6782 PWs) bands (ev): -38.2888 -38.2888 -38.2876 -38.2876 -19.5610 -19.5598 -19.5572 -19.5559 -19.2087 -19.2039 -19.2033 -19.1985 -19.1319 -19.1296 -19.1278 -19.1255 -11.7457 -11.7456 -11.7447 -11.7444 -11.7417 -11.7415 -11.7405 -11.7403 -11.3389 -11.3387 -11.3376 -11.3374 -11.2441 -11.2440 -11.2423 -11.2421 -11.2345 -11.2343 -11.2332 -11.2330 -4.6901 -4.6900 -4.6577 -4.6575 -1.5099 -1.5086 -1.4678 -1.4656 -0.5744 -0.5650 -0.5077 -0.4947 -0.1632 -0.1475 -0.1414 -0.1231 4.1583 4.1610 4.2474 4.2502 4.8263 4.8314 4.8602 4.8646 5.6422 5.6428 5.6442 5.6443 k = 0.4865-0.0000 0.3305 ( 6778 PWs) bands (ev): -38.2885 -38.2885 -38.2879 -38.2879 -19.5601 -19.5589 -19.5582 -19.5570 -19.2075 -19.2051 -19.2022 -19.1997 -19.1313 -19.1302 -19.1272 -19.1261 -11.7457 -11.7456 -11.7446 -11.7445 -11.7416 -11.7416 -11.7405 -11.7403 -11.3389 -11.3388 -11.3376 -11.3375 -11.2441 -11.2440 -11.2422 -11.2422 -11.2344 -11.2343 -11.2331 -11.2330 -4.6787 -4.6785 -4.6624 -4.6622 -1.5051 -1.5036 -1.4839 -1.4820 -0.5569 -0.5465 -0.5235 -0.5113 -0.1569 -0.1459 -0.1404 -0.1282 4.1825 4.1853 4.2272 4.2300 4.8295 4.8345 4.8465 4.8511 5.6411 5.6415 5.6421 5.6422 k = 0.5000-0.0000 0.3305 ( 6776 PWs) bands (ev): -38.2883 -38.2883 -38.2881 -38.2881 -19.5592 -19.5592 -19.5579 -19.5579 -19.2063 -19.2063 -19.2010 -19.2010 -19.1308 -19.1308 -19.1266 -19.1266 -11.7456 -11.7456 -11.7445 -11.7445 -11.7416 -11.7416 -11.7404 -11.7404 -11.3388 -11.3388 -11.3375 -11.3375 -11.2440 -11.2440 -11.2422 -11.2422 -11.2344 -11.2344 -11.2330 -11.2330 -4.6695 -4.6695 -4.6691 -4.6691 -1.4964 -1.4964 -1.4947 -1.4947 -0.5399 -0.5399 -0.5285 -0.5285 -0.1511 -0.1511 -0.1340 -0.1340 4.2055 4.2055 4.2083 4.2083 4.8362 4.8362 4.8411 4.8411 5.6411 5.6411 5.6413 5.6413 Writing output data file CaGaH4.save init_run : 1.28s CPU 0.78s WALL ( 1 calls) electrons : 434.68s CPU 331.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 434.66s CPU 331.68s 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 : 0.42s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.48s CPU 0.49s WALL ( 262 calls) cegterg : 387.36s CPU 303.96s WALL ( 615 calls) Called by sum_band: Called by *egterg: h_psi : 246.60s CPU 161.38s WALL ( 10831 calls) s_psi : 13.98s CPU 10.42s WALL ( 10831 calls) g_psi : 0.62s CPU 0.51s WALL ( 9954 calls) cdiaghg : 116.48s CPU 109.67s WALL ( 10216 calls) cegterg:over : 16.96s CPU 14.87s WALL ( 9954 calls) cegterg:upda : 17.84s CPU 16.02s WALL ( 9954 calls) cegterg:last : 6.39s CPU 6.27s WALL ( 1401 calls) cdiaghg:chol : 6.43s CPU 6.33s WALL ( 10216 calls) cdiaghg:inve : 4.53s CPU 4.20s WALL ( 10216 calls) cdiaghg:para : 7.31s CPU 7.02s WALL ( 20432 calls) Called by h_psi: h_psi:vloc : 215.22s CPU 137.27s WALL ( 10831 calls) h_psi:vnl : 30.62s CPU 23.53s WALL ( 10831 calls) add_vuspsi : 17.10s CPU 12.71s WALL ( 10831 calls) General routines calbec : 13.47s CPU 10.78s WALL ( 10831 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 204.70s CPU 128.96s WALL ( 1049040 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.28s CPU 1.38s WALL ( 524 calls) Parallel routines fft_scatter : 70.17s CPU 53.80s WALL ( 1049063 calls) PWSCF : 7m37.79s CPU 6m 6.56s WALL This run was terminated on: 2:43: 4 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=