Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 11:15: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./AsSeI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 45 43 12 2204 2051 317 Max 46 44 13 2209 2068 324 Sum 1633 1567 455 79405 74121 11553 bravais-lattice index = 14 lattice parameter (alat) = 7.9161 a.u. unit-cell volume = 2436.8867 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 37.0000 Ry charge density cutoff = 155.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.916062 celldm(2)= 2.110050 celldm(3)= 3.038562 celldm(4)= 0.642592 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 2.110050 0.000000 ) a(3) = ( 0.000000 1.952556 2.328172 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.473922 -0.397462 ) b(3) = ( 0.000000 0.000000 0.429522 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Se 6.00 78.96000 Se( 1.00) I 7.00 126.90450 I( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.9762780 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.1640858 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.9762780 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.1640858 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 227 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0000000 0.0000000 0.0126330), wk = 0.0044053 k( 3) = ( 0.0000000 0.0000000 0.0252660), wk = 0.0044053 k( 4) = ( 0.0000000 0.0000000 0.0378990), wk = 0.0044053 k( 5) = ( 0.0000000 0.0000000 0.0505320), wk = 0.0044053 k( 6) = ( 0.0000000 0.0000000 0.0631649), wk = 0.0044053 k( 7) = ( 0.0000000 0.0000000 0.0757979), wk = 0.0044053 k( 8) = ( 0.0000000 0.0000000 0.0884309), wk = 0.0044053 k( 9) = ( 0.0000000 0.0000000 0.1010639), wk = 0.0044053 k( 10) = ( 0.0000000 0.0000000 0.1136969), wk = 0.0044053 k( 11) = ( 0.0000000 0.0000000 0.1263299), wk = 0.0044053 k( 12) = ( 0.0000000 0.0000000 0.1389629), wk = 0.0044053 k( 13) = ( 0.0000000 0.0000000 0.1515959), wk = 0.0044053 k( 14) = ( 0.0000000 0.0000000 0.1642289), wk = 0.0044053 k( 15) = ( 0.0000000 0.0000000 0.1768618), wk = 0.0044053 k( 16) = ( 0.0000000 0.0000000 0.1894948), wk = 0.0044053 k( 17) = ( 0.0000000 0.0000000 0.2021278), wk = 0.0044053 k( 18) = ( 0.0000000 0.0000000 0.2147608), wk = 0.0044053 k( 19) = ( 0.0000000 0.0000000 0.2147608), wk = 0.0044053 k( 20) = ( 0.0000000 0.0131481 0.2147608), wk = 0.0044053 k( 21) = ( 0.0000000 0.0262962 0.2147608), wk = 0.0044053 k( 22) = ( 0.0000000 0.0394443 0.2147608), wk = 0.0044053 k( 23) = ( 0.0000000 0.0525924 0.2147608), wk = 0.0044053 k( 24) = ( 0.0000000 0.0657405 0.2147608), wk = 0.0044053 k( 25) = ( 0.0000000 0.0788886 0.2147608), wk = 0.0044053 k( 26) = ( 0.0000000 0.0920367 0.2147608), wk = 0.0044053 k( 27) = ( 0.0000000 0.1051848 0.2147608), wk = 0.0044053 k( 28) = ( 0.0000000 0.1183329 0.2147608), wk = 0.0044053 k( 29) = ( 0.0000000 0.1314809 0.2147608), wk = 0.0044053 k( 30) = ( 0.0000000 0.1446290 0.2147608), wk = 0.0044053 k( 31) = ( 0.0000000 0.1577771 0.2147608), wk = 0.0044053 k( 32) = ( 0.0000000 0.1709252 0.2147608), wk = 0.0044053 k( 33) = ( 0.0000000 0.1840733 0.2147608), wk = 0.0044053 k( 34) = ( 0.0000000 0.1972214 0.2147608), wk = 0.0044053 k( 35) = ( 0.0000000 0.2103695 0.2147608), wk = 0.0044053 k( 36) = ( 0.0000000 0.2235176 0.2147608), wk = 0.0044053 k( 37) = ( 0.0000000 0.2235176 0.2147608), wk = 0.0044053 k( 38) = ( 0.0000000 0.2244138 0.2015121), wk = 0.0044053 k( 39) = ( 0.0000000 0.2253101 0.1882633), wk = 0.0044053 k( 40) = ( 0.0000000 0.2262063 0.1750146), wk = 0.0044053 k( 41) = ( 0.0000000 0.2271026 0.1617659), wk = 0.0044053 k( 42) = ( 0.0000000 0.2279988 0.1485171), wk = 0.0044053 k( 43) = ( 0.0000000 0.2288950 0.1352684), wk = 0.0044053 k( 44) = ( 0.0000000 0.2297913 0.1220196), wk = 0.0044053 k( 45) = ( 0.0000000 0.2306875 0.1087709), wk = 0.0044053 k( 46) = ( 0.0000000 0.2315838 0.0955222), wk = 0.0044053 k( 47) = ( 0.0000000 0.2324800 0.0822734), wk = 0.0044053 k( 48) = ( 0.0000000 0.2333762 0.0690247), wk = 0.0044053 k( 49) = ( 0.0000000 0.2342725 0.0557760), wk = 0.0044053 k( 50) = ( 0.0000000 0.2351687 0.0425272), wk = 0.0044053 k( 51) = ( 0.0000000 0.2360650 0.0292785), wk = 0.0044053 k( 52) = ( 0.0000000 0.2369612 0.0160297), wk = 0.0044053 k( 53) = ( 0.0000000 0.2369612 0.0160297), wk = 0.0044053 k( 54) = ( 0.0131579 0.2369612 0.0160297), wk = 0.0044053 k( 55) = ( 0.0263158 0.2369612 0.0160297), wk = 0.0044053 k( 56) = ( 0.0394737 0.2369612 0.0160297), wk = 0.0044053 k( 57) = ( 0.0526316 0.2369612 0.0160297), wk = 0.0044053 k( 58) = ( 0.0657895 0.2369612 0.0160297), wk = 0.0044053 k( 59) = ( 0.0789474 0.2369612 0.0160297), wk = 0.0044053 k( 60) = ( 0.0921053 0.2369612 0.0160297), wk = 0.0044053 k( 61) = ( 0.1052632 0.2369612 0.0160297), wk = 0.0044053 k( 62) = ( 0.1184210 0.2369612 0.0160297), wk = 0.0044053 k( 63) = ( 0.1315790 0.2369612 0.0160297), wk = 0.0044053 k( 64) = ( 0.1447368 0.2369612 0.0160297), wk = 0.0044053 k( 65) = ( 0.1578947 0.2369612 0.0160297), wk = 0.0044053 k( 66) = ( 0.1710526 0.2369612 0.0160297), wk = 0.0044053 k( 67) = ( 0.1842105 0.2369612 0.0160297), wk = 0.0044053 k( 68) = ( 0.1973684 0.2369612 0.0160297), wk = 0.0044053 k( 69) = ( 0.2105263 0.2369612 0.0160297), wk = 0.0044053 k( 70) = ( 0.2236842 0.2369612 0.0160297), wk = 0.0044053 k( 71) = ( 0.2368421 0.2369612 0.0160297), wk = 0.0044053 k( 72) = ( 0.2500000 0.2369612 0.0160297), wk = 0.0044053 k( 73) = ( 0.2631579 0.2369612 0.0160297), wk = 0.0044053 k( 74) = ( 0.2763158 0.2369612 0.0160297), wk = 0.0044053 k( 75) = ( 0.2894737 0.2369612 0.0160297), wk = 0.0044053 k( 76) = ( 0.3026316 0.2369612 0.0160297), wk = 0.0044053 k( 77) = ( 0.3157895 0.2369612 0.0160297), wk = 0.0044053 k( 78) = ( 0.3289474 0.2369612 0.0160297), wk = 0.0044053 k( 79) = ( 0.3421053 0.2369612 0.0160297), wk = 0.0044053 k( 80) = ( 0.3552632 0.2369612 0.0160297), wk = 0.0044053 k( 81) = ( 0.3684211 0.2369612 0.0160297), wk = 0.0044053 k( 82) = ( 0.3815789 0.2369612 0.0160297), wk = 0.0044053 k( 83) = ( 0.3947368 0.2369612 0.0160297), wk = 0.0044053 k( 84) = ( 0.4078947 0.2369612 0.0160297), wk = 0.0044053 k( 85) = ( 0.4210526 0.2369612 0.0160297), wk = 0.0044053 k( 86) = ( 0.4342105 0.2369612 0.0160297), wk = 0.0044053 k( 87) = ( 0.4473684 0.2369612 0.0160297), wk = 0.0044053 k( 88) = ( 0.4605263 0.2369612 0.0160297), wk = 0.0044053 k( 89) = ( 0.4736842 0.2369612 0.0160297), wk = 0.0044053 k( 90) = ( 0.4868421 0.2369612 0.0160297), wk = 0.0044053 k( 91) = ( 0.5000000 0.2369612 0.0160297), wk = 0.0044053 k( 92) = ( 0.5000000 0.2369612 0.0160297), wk = 0.0044053 k( 93) = ( 0.5000000 0.2378574 0.0027810), wk = 0.0044053 k( 94) = ( 0.5000000 0.2387537 -0.0104677), wk = 0.0044053 k( 95) = ( 0.5000000 0.2396499 -0.0237165), wk = 0.0044053 k( 96) = ( 0.5000000 0.2405462 -0.0369652), wk = 0.0044053 k( 97) = ( 0.5000000 0.2414424 -0.0502139), wk = 0.0044053 k( 98) = ( 0.5000000 0.2423386 -0.0634627), wk = 0.0044053 k( 99) = ( 0.5000000 0.2432349 -0.0767114), wk = 0.0044053 k( 100) = ( 0.5000000 0.2441311 -0.0899602), wk = 0.0044053 k( 101) = ( 0.5000000 0.2450273 -0.1032089), wk = 0.0044053 k( 102) = ( 0.5000000 0.2459236 -0.1164576), wk = 0.0044053 k( 103) = ( 0.5000000 0.2468198 -0.1297064), wk = 0.0044053 k( 104) = ( 0.5000000 0.2477161 -0.1429551), wk = 0.0044053 k( 105) = ( 0.5000000 0.2486123 -0.1562038), wk = 0.0044053 k( 106) = ( 0.5000000 0.2495085 -0.1694526), wk = 0.0044053 k( 107) = ( 0.5000000 0.2504048 -0.1827013), wk = 0.0044053 k( 108) = ( 0.5000000 0.2504048 -0.1827013), wk = 0.0044053 k( 109) = ( 0.5000000 0.2436830 -0.1907162), wk = 0.0044053 k( 110) = ( 0.5000000 0.2369612 -0.1987311), wk = 0.0044053 k( 111) = ( 0.5000000 0.2369612 -0.1987311), wk = 0.0044053 k( 112) = ( 0.4868421 0.2369612 -0.1987311), wk = 0.0044053 k( 113) = ( 0.4736842 0.2369612 -0.1987311), wk = 0.0044053 k( 114) = ( 0.4605263 0.2369612 -0.1987311), wk = 0.0044053 k( 115) = ( 0.4473684 0.2369612 -0.1987311), wk = 0.0044053 k( 116) = ( 0.4342105 0.2369612 -0.1987311), wk = 0.0044053 k( 117) = ( 0.4210526 0.2369612 -0.1987311), wk = 0.0044053 k( 118) = ( 0.4078947 0.2369612 -0.1987311), wk = 0.0044053 k( 119) = ( 0.3947368 0.2369612 -0.1987311), wk = 0.0044053 k( 120) = ( 0.3815789 0.2369612 -0.1987311), wk = 0.0044053 k( 121) = ( 0.3684211 0.2369612 -0.1987311), wk = 0.0044053 k( 122) = ( 0.3552632 0.2369612 -0.1987311), wk = 0.0044053 k( 123) = ( 0.3421053 0.2369612 -0.1987311), wk = 0.0044053 k( 124) = ( 0.3289474 0.2369612 -0.1987311), wk = 0.0044053 k( 125) = ( 0.3157895 0.2369612 -0.1987311), wk = 0.0044053 k( 126) = ( 0.3026316 0.2369612 -0.1987311), wk = 0.0044053 k( 127) = ( 0.2894737 0.2369612 -0.1987311), wk = 0.0044053 k( 128) = ( 0.2763158 0.2369612 -0.1987311), wk = 0.0044053 k( 129) = ( 0.2631579 0.2369612 -0.1987311), wk = 0.0044053 k( 130) = ( 0.2500000 0.2369612 -0.1987311), wk = 0.0044053 k( 131) = ( 0.2368421 0.2369612 -0.1987311), wk = 0.0044053 k( 132) = ( 0.2236842 0.2369612 -0.1987311), wk = 0.0044053 k( 133) = ( 0.2105263 0.2369612 -0.1987311), wk = 0.0044053 k( 134) = ( 0.1973684 0.2369612 -0.1987311), wk = 0.0044053 k( 135) = ( 0.1842105 0.2369612 -0.1987311), wk = 0.0044053 k( 136) = ( 0.1710526 0.2369612 -0.1987311), wk = 0.0044053 k( 137) = ( 0.1578947 0.2369612 -0.1987311), wk = 0.0044053 k( 138) = ( 0.1447368 0.2369612 -0.1987311), wk = 0.0044053 k( 139) = ( 0.1315790 0.2369612 -0.1987311), wk = 0.0044053 k( 140) = ( 0.1184210 0.2369612 -0.1987311), wk = 0.0044053 k( 141) = ( 0.1052632 0.2369612 -0.1987311), wk = 0.0044053 k( 142) = ( 0.0921053 0.2369612 -0.1987311), wk = 0.0044053 k( 143) = ( 0.0789474 0.2369612 -0.1987311), wk = 0.0044053 k( 144) = ( 0.0657895 0.2369612 -0.1987311), wk = 0.0044053 k( 145) = ( 0.0526316 0.2369612 -0.1987311), wk = 0.0044053 k( 146) = ( 0.0394737 0.2369612 -0.1987311), wk = 0.0044053 k( 147) = ( 0.0263158 0.2369612 -0.1987311), wk = 0.0044053 k( 148) = ( 0.0131579 0.2369612 -0.1987311), wk = 0.0044053 k( 149) = ( 0.0000000 0.2369612 -0.1987311), wk = 0.0044053 k( 150) = ( 0.0000000 0.2369612 -0.1987311), wk = 0.0044053 k( 151) = ( 0.0000000 0.2436830 -0.1907162), wk = 0.0044053 k( 152) = ( 0.0000000 0.2504048 -0.1827013), wk = 0.0044053 k( 153) = ( 0.5000000 0.2235176 0.2147608), wk = 0.0044053 k( 154) = ( 0.5000000 0.2103695 0.2147608), wk = 0.0044053 k( 155) = ( 0.5000000 0.1972214 0.2147608), wk = 0.0044053 k( 156) = ( 0.5000000 0.1840733 0.2147608), wk = 0.0044053 k( 157) = ( 0.5000000 0.1709252 0.2147608), wk = 0.0044053 k( 158) = ( 0.5000000 0.1577771 0.2147608), wk = 0.0044053 k( 159) = ( 0.5000000 0.1446290 0.2147608), wk = 0.0044053 k( 160) = ( 0.5000000 0.1314809 0.2147608), wk = 0.0044053 k( 161) = ( 0.5000000 0.1183329 0.2147608), wk = 0.0044053 k( 162) = ( 0.5000000 0.1051848 0.2147608), wk = 0.0044053 k( 163) = ( 0.5000000 0.0920367 0.2147608), wk = 0.0044053 k( 164) = ( 0.5000000 0.0788886 0.2147608), wk = 0.0044053 k( 165) = ( 0.5000000 0.0657405 0.2147608), wk = 0.0044053 k( 166) = ( 0.5000000 0.0525924 0.2147608), wk = 0.0044053 k( 167) = ( 0.5000000 0.0394443 0.2147608), wk = 0.0044053 k( 168) = ( 0.5000000 0.0262962 0.2147608), wk = 0.0044053 k( 169) = ( 0.5000000 0.0131481 0.2147608), wk = 0.0044053 k( 170) = ( 0.5000000 -0.0000000 0.2147608), wk = 0.0044053 k( 171) = ( 0.5000000 -0.0000000 0.2147608), wk = 0.0044053 k( 172) = ( 0.5000000 -0.0000000 0.2021278), wk = 0.0044053 k( 173) = ( 0.5000000 -0.0000000 0.1894948), wk = 0.0044053 k( 174) = ( 0.5000000 -0.0000000 0.1768618), wk = 0.0044053 k( 175) = ( 0.5000000 -0.0000000 0.1642289), wk = 0.0044053 k( 176) = ( 0.5000000 -0.0000000 0.1515959), wk = 0.0044053 k( 177) = ( 0.5000000 -0.0000000 0.1389629), wk = 0.0044053 k( 178) = ( 0.5000000 -0.0000000 0.1263299), wk = 0.0044053 k( 179) = ( 0.5000000 -0.0000000 0.1136969), wk = 0.0044053 k( 180) = ( 0.5000000 -0.0000000 0.1010639), wk = 0.0044053 k( 181) = ( 0.5000000 -0.0000000 0.0884309), wk = 0.0044053 k( 182) = ( 0.5000000 -0.0000000 0.0757979), wk = 0.0044053 k( 183) = ( 0.5000000 -0.0000000 0.0631649), wk = 0.0044053 k( 184) = ( 0.5000000 -0.0000000 0.0505320), wk = 0.0044053 k( 185) = ( 0.5000000 -0.0000000 0.0378990), wk = 0.0044053 k( 186) = ( 0.5000000 -0.0000000 0.0252660), wk = 0.0044053 k( 187) = ( 0.5000000 -0.0000000 0.0126330), wk = 0.0044053 k( 188) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0044053 k( 189) = ( 0.0000000 0.0000000 0.2147608), wk = 0.0044053 k( 190) = ( 0.0131579 -0.0000000 0.2147608), wk = 0.0044053 k( 191) = ( 0.0263158 -0.0000000 0.2147608), wk = 0.0044053 k( 192) = ( 0.0394737 -0.0000000 0.2147608), wk = 0.0044053 k( 193) = ( 0.0526316 -0.0000000 0.2147608), wk = 0.0044053 k( 194) = ( 0.0657895 -0.0000000 0.2147608), wk = 0.0044053 k( 195) = ( 0.0789474 -0.0000000 0.2147608), wk = 0.0044053 k( 196) = ( 0.0921053 -0.0000000 0.2147608), wk = 0.0044053 k( 197) = ( 0.1052632 -0.0000000 0.2147608), wk = 0.0044053 k( 198) = ( 0.1184210 -0.0000000 0.2147608), wk = 0.0044053 k( 199) = ( 0.1315790 -0.0000000 0.2147608), wk = 0.0044053 k( 200) = ( 0.1447368 -0.0000000 0.2147608), wk = 0.0044053 k( 201) = ( 0.1578947 -0.0000000 0.2147608), wk = 0.0044053 k( 202) = ( 0.1710526 -0.0000000 0.2147608), wk = 0.0044053 k( 203) = ( 0.1842105 -0.0000000 0.2147608), wk = 0.0044053 k( 204) = ( 0.1973684 -0.0000000 0.2147608), wk = 0.0044053 k( 205) = ( 0.2105263 -0.0000000 0.2147608), wk = 0.0044053 k( 206) = ( 0.2236842 -0.0000000 0.2147608), wk = 0.0044053 k( 207) = ( 0.2368421 -0.0000000 0.2147608), wk = 0.0044053 k( 208) = ( 0.2500000 -0.0000000 0.2147608), wk = 0.0044053 k( 209) = ( 0.2631579 -0.0000000 0.2147608), wk = 0.0044053 k( 210) = ( 0.2763158 -0.0000000 0.2147608), wk = 0.0044053 k( 211) = ( 0.2894737 -0.0000000 0.2147608), wk = 0.0044053 k( 212) = ( 0.3026316 -0.0000000 0.2147608), wk = 0.0044053 k( 213) = ( 0.3157895 -0.0000000 0.2147608), wk = 0.0044053 k( 214) = ( 0.3289474 -0.0000000 0.2147608), wk = 0.0044053 k( 215) = ( 0.3421053 -0.0000000 0.2147608), wk = 0.0044053 k( 216) = ( 0.3552632 -0.0000000 0.2147608), wk = 0.0044053 k( 217) = ( 0.3684211 -0.0000000 0.2147608), wk = 0.0044053 k( 218) = ( 0.3815789 -0.0000000 0.2147608), wk = 0.0044053 k( 219) = ( 0.3947368 -0.0000000 0.2147608), wk = 0.0044053 k( 220) = ( 0.4078947 -0.0000000 0.2147608), wk = 0.0044053 k( 221) = ( 0.4210526 -0.0000000 0.2147608), wk = 0.0044053 k( 222) = ( 0.4342105 -0.0000000 0.2147608), wk = 0.0044053 k( 223) = ( 0.4473684 -0.0000000 0.2147608), wk = 0.0044053 k( 224) = ( 0.4605263 -0.0000000 0.2147608), wk = 0.0044053 k( 225) = ( 0.4736842 -0.0000000 0.2147608), wk = 0.0044053 k( 226) = ( 0.4868421 -0.0000000 0.2147608), wk = 0.0044053 k( 227) = ( 0.5000000 -0.0000000 0.2147608), wk = 0.0044053 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0044053 k( 2) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0044053 k( 3) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0044053 k( 4) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0044053 k( 5) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0044053 k( 6) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0044053 k( 7) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0044053 k( 8) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0044053 k( 9) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0044053 k( 10) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0044053 k( 11) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0044053 k( 12) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0044053 k( 13) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0044053 k( 14) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0044053 k( 15) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0044053 k( 16) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0044053 k( 17) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0044053 k( 18) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 20) = ( 0.0000000 0.0277431 0.5256724), wk = 0.0044053 k( 21) = ( 0.0000000 0.0554863 0.5513448), wk = 0.0044053 k( 22) = ( 0.0000000 0.0832294 0.5770172), wk = 0.0044053 k( 23) = ( 0.0000000 0.1109726 0.6026896), wk = 0.0044053 k( 24) = ( 0.0000000 0.1387157 0.6283619), wk = 0.0044053 k( 25) = ( 0.0000000 0.1664588 0.6540343), wk = 0.0044053 k( 26) = ( 0.0000000 0.1942020 0.6797067), wk = 0.0044053 k( 27) = ( 0.0000000 0.2219451 0.7053791), wk = 0.0044053 k( 28) = ( 0.0000000 0.2496883 0.7310515), wk = 0.0044053 k( 29) = ( 0.0000000 0.2774314 0.7567239), wk = 0.0044053 k( 30) = ( 0.0000000 0.3051745 0.7823963), wk = 0.0044053 k( 31) = ( 0.0000000 0.3329177 0.8080687), wk = 0.0044053 k( 32) = ( 0.0000000 0.3606608 0.8337411), wk = 0.0044053 k( 33) = ( 0.0000000 0.3884039 0.8594135), wk = 0.0044053 k( 34) = ( 0.0000000 0.4161471 0.8850859), wk = 0.0044053 k( 35) = ( 0.0000000 0.4438902 0.9107582), wk = 0.0044053 k( 36) = ( 0.0000000 0.4716334 0.9364306), wk = 0.0044053 k( 37) = ( 0.0000000 0.4716334 0.9364306), wk = 0.0044053 k( 38) = ( 0.0000000 0.4735245 0.9073353), wk = 0.0044053 k( 39) = ( 0.0000000 0.4754156 0.8782399), wk = 0.0044053 k( 40) = ( 0.0000000 0.4773067 0.8491445), wk = 0.0044053 k( 41) = ( 0.0000000 0.4791978 0.8200491), wk = 0.0044053 k( 42) = ( 0.0000000 0.4810889 0.7909538), wk = 0.0044053 k( 43) = ( 0.0000000 0.4829800 0.7618584), wk = 0.0044053 k( 44) = ( 0.0000000 0.4848711 0.7327630), wk = 0.0044053 k( 45) = ( 0.0000000 0.4867622 0.7036676), wk = 0.0044053 k( 46) = ( 0.0000000 0.4886533 0.6745722), wk = 0.0044053 k( 47) = ( 0.0000000 0.4905445 0.6454769), wk = 0.0044053 k( 48) = ( 0.0000000 0.4924356 0.6163815), wk = 0.0044053 k( 49) = ( 0.0000000 0.4943267 0.5872861), wk = 0.0044053 k( 50) = ( 0.0000000 0.4962178 0.5581907), wk = 0.0044053 k( 51) = ( 0.0000000 0.4981089 0.5290954), wk = 0.0044053 k( 52) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044053 k( 53) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0044053 k( 54) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0044053 k( 55) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0044053 k( 56) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0044053 k( 57) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0044053 k( 58) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0044053 k( 59) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0044053 k( 60) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0044053 k( 61) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0044053 k( 62) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0044053 k( 63) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0044053 k( 64) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0044053 k( 65) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0044053 k( 66) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0044053 k( 67) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0044053 k( 68) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0044053 k( 69) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0044053 k( 70) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0044053 k( 71) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0044053 k( 72) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0044053 k( 73) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0044053 k( 74) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0044053 k( 75) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0044053 k( 76) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0044053 k( 77) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0044053 k( 78) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0044053 k( 79) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0044053 k( 80) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0044053 k( 81) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0044053 k( 82) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0044053 k( 83) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0044053 k( 84) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0044053 k( 85) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0044053 k( 86) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0044053 k( 87) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0044053 k( 88) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0044053 k( 89) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0044053 k( 90) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0044053 k( 91) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0044053 k( 93) = ( 0.5000000 0.5018911 0.4709046), wk = 0.0044053 k( 94) = ( 0.5000000 0.5037822 0.4418092), wk = 0.0044053 k( 95) = ( 0.5000000 0.5056733 0.4127139), wk = 0.0044053 k( 96) = ( 0.5000000 0.5075644 0.3836185), wk = 0.0044053 k( 97) = ( 0.5000000 0.5094555 0.3545231), wk = 0.0044053 k( 98) = ( 0.5000000 0.5113467 0.3254277), wk = 0.0044053 k( 99) = ( 0.5000000 0.5132378 0.2963324), wk = 0.0044053 k( 100) = ( 0.5000000 0.5151289 0.2672370), wk = 0.0044053 k( 101) = ( 0.5000000 0.5170200 0.2381416), wk = 0.0044053 k( 102) = ( 0.5000000 0.5189111 0.2090462), wk = 0.0044053 k( 103) = ( 0.5000000 0.5208022 0.1799509), wk = 0.0044053 k( 104) = ( 0.5000000 0.5226933 0.1508555), wk = 0.0044053 k( 105) = ( 0.5000000 0.5245844 0.1217601), wk = 0.0044053 k( 106) = ( 0.5000000 0.5264755 0.0926647), wk = 0.0044053 k( 107) = ( 0.5000000 0.5283667 0.0635694), wk = 0.0044053 k( 108) = ( 0.5000000 0.5283667 0.0635694), wk = 0.0044053 k( 109) = ( 0.5000000 0.5141833 0.0317847), wk = 0.0044053 k( 110) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044053 k( 111) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0044053 k( 112) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0044053 k( 113) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0044053 k( 114) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0044053 k( 115) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0044053 k( 116) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0044053 k( 117) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0044053 k( 118) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0044053 k( 119) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0044053 k( 120) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0044053 k( 121) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0044053 k( 122) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0044053 k( 123) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0044053 k( 124) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0044053 k( 125) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0044053 k( 126) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0044053 k( 127) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0044053 k( 128) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0044053 k( 129) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0044053 k( 130) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0044053 k( 131) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0044053 k( 132) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0044053 k( 133) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0044053 k( 134) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0044053 k( 135) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0044053 k( 136) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0044053 k( 137) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0044053 k( 138) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0044053 k( 139) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0044053 k( 140) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0044053 k( 141) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0044053 k( 142) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0044053 k( 143) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0044053 k( 144) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0044053 k( 145) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0044053 k( 146) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0044053 k( 147) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0044053 k( 148) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0044053 k( 149) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044053 k( 150) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0044053 k( 151) = ( 0.0000000 0.5141833 0.0317847), wk = 0.0044053 k( 152) = ( 0.0000000 0.5283667 0.0635694), wk = 0.0044053 k( 153) = ( 0.5000000 0.4716334 0.9364306), wk = 0.0044053 k( 154) = ( 0.5000000 0.4438902 0.9107582), wk = 0.0044053 k( 155) = ( 0.5000000 0.4161471 0.8850859), wk = 0.0044053 k( 156) = ( 0.5000000 0.3884039 0.8594135), wk = 0.0044053 k( 157) = ( 0.5000000 0.3606608 0.8337411), wk = 0.0044053 k( 158) = ( 0.5000000 0.3329177 0.8080687), wk = 0.0044053 k( 159) = ( 0.5000000 0.3051745 0.7823963), wk = 0.0044053 k( 160) = ( 0.5000000 0.2774314 0.7567239), wk = 0.0044053 k( 161) = ( 0.5000000 0.2496883 0.7310515), wk = 0.0044053 k( 162) = ( 0.5000000 0.2219451 0.7053791), wk = 0.0044053 k( 163) = ( 0.5000000 0.1942020 0.6797067), wk = 0.0044053 k( 164) = ( 0.5000000 0.1664588 0.6540343), wk = 0.0044053 k( 165) = ( 0.5000000 0.1387157 0.6283619), wk = 0.0044053 k( 166) = ( 0.5000000 0.1109726 0.6026896), wk = 0.0044053 k( 167) = ( 0.5000000 0.0832294 0.5770172), wk = 0.0044053 k( 168) = ( 0.5000000 0.0554863 0.5513448), wk = 0.0044053 k( 169) = ( 0.5000000 0.0277431 0.5256724), wk = 0.0044053 k( 170) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044053 k( 171) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044053 k( 172) = ( 0.5000000 -0.0000000 0.4705882), wk = 0.0044053 k( 173) = ( 0.5000000 -0.0000000 0.4411765), wk = 0.0044053 k( 174) = ( 0.5000000 -0.0000000 0.4117647), wk = 0.0044053 k( 175) = ( 0.5000000 -0.0000000 0.3823529), wk = 0.0044053 k( 176) = ( 0.5000000 -0.0000000 0.3529412), wk = 0.0044053 k( 177) = ( 0.5000000 -0.0000000 0.3235294), wk = 0.0044053 k( 178) = ( 0.5000000 -0.0000000 0.2941177), wk = 0.0044053 k( 179) = ( 0.5000000 -0.0000000 0.2647059), wk = 0.0044053 k( 180) = ( 0.5000000 -0.0000000 0.2352941), wk = 0.0044053 k( 181) = ( 0.5000000 -0.0000000 0.2058823), wk = 0.0044053 k( 182) = ( 0.5000000 -0.0000000 0.1764706), wk = 0.0044053 k( 183) = ( 0.5000000 -0.0000000 0.1470588), wk = 0.0044053 k( 184) = ( 0.5000000 -0.0000000 0.1176471), wk = 0.0044053 k( 185) = ( 0.5000000 -0.0000000 0.0882353), wk = 0.0044053 k( 186) = ( 0.5000000 -0.0000000 0.0588235), wk = 0.0044053 k( 187) = ( 0.5000000 -0.0000000 0.0294118), wk = 0.0044053 k( 188) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0044053 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0044053 k( 190) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0044053 k( 191) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0044053 k( 192) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0044053 k( 193) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0044053 k( 194) = ( 0.0657895 -0.0000000 0.5000000), wk = 0.0044053 k( 195) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0044053 k( 196) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0044053 k( 197) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0044053 k( 198) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0044053 k( 199) = ( 0.1315790 -0.0000000 0.5000000), wk = 0.0044053 k( 200) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0044053 k( 201) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0044053 k( 202) = ( 0.1710526 -0.0000000 0.5000000), wk = 0.0044053 k( 203) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0044053 k( 204) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0044053 k( 205) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0044053 k( 206) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0044053 k( 207) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0044053 k( 208) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0044053 k( 209) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0044053 k( 210) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0044053 k( 211) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0044053 k( 212) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0044053 k( 213) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0044053 k( 214) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0044053 k( 215) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0044053 k( 216) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0044053 k( 217) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0044053 k( 218) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0044053 k( 219) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0044053 k( 220) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0044053 k( 221) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0044053 k( 222) = ( 0.4342105 -0.0000000 0.5000000), wk = 0.0044053 k( 223) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0044053 k( 224) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0044053 k( 225) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0044053 k( 226) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0044053 k( 227) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0044053 Dense grid: 79405 G-vectors FFT dimensions: ( 32, 72, 96) Smooth grid: 74121 G-vectors FFT dimensions: ( 32, 72, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.74 Mb ( 562, 86) NL pseudopotentials 1.06 Mb ( 281, 248) Each V/rho on FFT grid 0.11 Mb ( 6912) Each G-vector array 0.02 Mb ( 2209) G-vector shells 0.02 Mb ( 2173) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.95 Mb ( 562, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.65 Mb ( 248, 2, 86) The potential is recalculated from file : ./AsSeI.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 10.4 secs Computing kpt #: 7 total cpu time spent up to now is 11.8 secs Computing kpt #: 8 total cpu time spent up to now is 13.3 secs Computing kpt #: 9 total cpu time spent up to now is 14.7 secs Computing kpt #: 10 total cpu time spent up to now is 16.1 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.9 secs Computing kpt #: 13 total cpu time spent up to now is 20.3 secs Computing kpt #: 14 total cpu time spent up to now is 21.7 secs Computing kpt #: 15 total cpu time spent up to now is 23.1 secs Computing kpt #: 16 total cpu time spent up to now is 24.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.9 secs Computing kpt #: 18 total cpu time spent up to now is 27.2 secs Computing kpt #: 19 total cpu time spent up to now is 28.6 secs Computing kpt #: 20 total cpu time spent up to now is 30.0 secs Computing kpt #: 21 total cpu time spent up to now is 31.7 secs Computing kpt #: 22 total cpu time spent up to now is 33.3 secs Computing kpt #: 23 total cpu time spent up to now is 34.7 secs Computing kpt #: 24 total cpu time spent up to now is 36.0 secs Computing kpt #: 25 total cpu time spent up to now is 37.4 secs Computing kpt #: 26 total cpu time spent up to now is 38.8 secs Computing kpt #: 27 total cpu time spent up to now is 40.2 secs Computing kpt #: 28 total cpu time spent up to now is 41.5 secs Computing kpt #: 29 total cpu time spent up to now is 42.9 secs Computing kpt #: 30 total cpu time spent up to now is 44.2 secs Computing kpt #: 31 total cpu time spent up to now is 45.6 secs Computing kpt #: 32 total cpu time spent up to now is 46.9 secs Computing kpt #: 33 total cpu time spent up to now is 48.3 secs Computing kpt #: 34 total cpu time spent up to now is 49.6 secs Computing kpt #: 35 total cpu time spent up to now is 50.9 secs Computing kpt #: 36 total cpu time spent up to now is 52.2 secs Computing kpt #: 37 total cpu time spent up to now is 53.5 secs Computing kpt #: 38 total cpu time spent up to now is 54.9 secs Computing kpt #: 39 total cpu time spent up to now is 56.2 secs Computing kpt #: 40 total cpu time spent up to now is 57.5 secs Computing kpt #: 41 total cpu time spent up to now is 58.8 secs Computing kpt #: 42 total cpu time spent up to now is 60.2 secs Computing kpt #: 43 total cpu time spent up to now is 61.5 secs Computing kpt #: 44 total cpu time spent up to now is 62.8 secs Computing kpt #: 45 total cpu time spent up to now is 64.2 secs Computing kpt #: 46 total cpu time spent up to now is 65.6 secs Computing kpt #: 47 total cpu time spent up to now is 66.9 secs Computing kpt #: 48 total cpu time spent up to now is 68.3 secs Computing kpt #: 49 total cpu time spent up to now is 69.7 secs Computing kpt #: 50 total cpu time spent up to now is 71.0 secs Computing kpt #: 51 total cpu time spent up to now is 72.4 secs Computing kpt #: 52 total cpu time spent up to now is 73.8 secs Computing kpt #: 53 total cpu time spent up to now is 75.2 secs Computing kpt #: 54 total cpu time spent up to now is 76.6 secs Computing kpt #: 55 total cpu time spent up to now is 78.1 secs Computing kpt #: 56 total cpu time spent up to now is 79.5 secs Computing kpt #: 57 total cpu time spent up to now is 81.0 secs Computing kpt #: 58 total cpu time spent up to now is 82.4 secs Computing kpt #: 59 total cpu time spent up to now is 83.9 secs Computing kpt #: 60 total cpu time spent up to now is 85.3 secs Computing kpt #: 61 total cpu time spent up to now is 86.8 secs Computing kpt #: 62 total cpu time spent up to now is 88.2 secs Computing kpt #: 63 total cpu time spent up to now is 89.6 secs Computing kpt #: 64 total cpu time spent up to now is 91.1 secs Computing kpt #: 65 total cpu time spent up to now is 92.5 secs Computing kpt #: 66 total cpu time spent up to now is 93.9 secs Computing kpt #: 67 total cpu time spent up to now is 95.4 secs Computing kpt #: 68 total cpu time spent up to now is 96.8 secs Computing kpt #: 69 total cpu time spent up to now is 98.2 secs Computing kpt #: 70 total cpu time spent up to now is 99.6 secs Computing kpt #: 71 total cpu time spent up to now is 101.1 secs Computing kpt #: 72 total cpu time spent up to now is 102.5 secs Computing kpt #: 73 total cpu time spent up to now is 103.9 secs Computing kpt #: 74 total cpu time spent up to now is 105.3 secs Computing kpt #: 75 total cpu time spent up to now is 106.8 secs Computing kpt #: 76 total cpu time spent up to now is 108.2 secs Computing kpt #: 77 total cpu time spent up to now is 109.6 secs Computing kpt #: 78 total cpu time spent up to now is 111.1 secs Computing kpt #: 79 total cpu time spent up to now is 112.5 secs Computing kpt #: 80 total cpu time spent up to now is 114.0 secs Computing kpt #: 81 total cpu time spent up to now is 115.4 secs Computing kpt #: 82 total cpu time spent up to now is 116.9 secs Computing kpt #: 83 total cpu time spent up to now is 118.4 secs Computing kpt #: 84 total cpu time spent up to now is 119.8 secs Computing kpt #: 85 total cpu time spent up to now is 121.3 secs Computing kpt #: 86 total cpu time spent up to now is 122.8 secs Computing kpt #: 87 total cpu time spent up to now is 124.3 secs Computing kpt #: 88 total cpu time spent up to now is 125.7 secs Computing kpt #: 89 total cpu time spent up to now is 127.2 secs Computing kpt #: 90 total cpu time spent up to now is 128.7 secs Computing kpt #: 91 total cpu time spent up to now is 130.2 secs Computing kpt #: 92 total cpu time spent up to now is 131.6 secs Computing kpt #: 93 total cpu time spent up to now is 133.1 secs Computing kpt #: 94 total cpu time spent up to now is 134.6 secs Computing kpt #: 95 total cpu time spent up to now is 136.1 secs Computing kpt #: 96 total cpu time spent up to now is 137.6 secs Computing kpt #: 97 total cpu time spent up to now is 139.0 secs Computing kpt #: 98 total cpu time spent up to now is 140.5 secs Computing kpt #: 99 total cpu time spent up to now is 142.0 secs Computing kpt #: 100 total cpu time spent up to now is 143.4 secs Computing kpt #: 101 total cpu time spent up to now is 144.9 secs Computing kpt #: 102 total cpu time spent up to now is 146.3 secs Computing kpt #: 103 total cpu time spent up to now is 147.7 secs Computing kpt #: 104 total cpu time spent up to now is 149.1 secs Computing kpt #: 105 total cpu time spent up to now is 150.6 secs Computing kpt #: 106 total cpu time spent up to now is 152.0 secs Computing kpt #: 107 total cpu time spent up to now is 153.4 secs Computing kpt #: 108 total cpu time spent up to now is 154.8 secs Computing kpt #: 109 total cpu time spent up to now is 156.3 secs Computing kpt #: 110 total cpu time spent up to now is 157.6 secs Computing kpt #: 111 total cpu time spent up to now is 159.0 secs Computing kpt #: 112 total cpu time spent up to now is 160.4 secs Computing kpt #: 113 total cpu time spent up to now is 161.7 secs Computing kpt #: 114 total cpu time spent up to now is 163.1 secs Computing kpt #: 115 total cpu time spent up to now is 164.4 secs Computing kpt #: 116 total cpu time spent up to now is 165.8 secs Computing kpt #: 117 total cpu time spent up to now is 167.1 secs Computing kpt #: 118 total cpu time spent up to now is 168.4 secs Computing kpt #: 119 total cpu time spent up to now is 169.8 secs Computing kpt #: 120 total cpu time spent up to now is 171.1 secs Computing kpt #: 121 total cpu time spent up to now is 172.5 secs Computing kpt #: 122 total cpu time spent up to now is 173.9 secs Computing kpt #: 123 total cpu time spent up to now is 175.3 secs Computing kpt #: 124 total cpu time spent up to now is 176.7 secs Computing kpt #: 125 total cpu time spent up to now is 178.2 secs Computing kpt #: 126 total cpu time spent up to now is 179.6 secs Computing kpt #: 127 total cpu time spent up to now is 181.0 secs Computing kpt #: 128 total cpu time spent up to now is 182.4 secs Computing kpt #: 129 total cpu time spent up to now is 183.8 secs Computing kpt #: 130 total cpu time spent up to now is 185.1 secs Computing kpt #: 131 total cpu time spent up to now is 186.5 secs Computing kpt #: 132 total cpu time spent up to now is 187.9 secs Computing kpt #: 133 total cpu time spent up to now is 189.4 secs Computing kpt #: 134 total cpu time spent up to now is 190.8 secs Computing kpt #: 135 total cpu time spent up to now is 192.2 secs Computing kpt #: 136 total cpu time spent up to now is 193.7 secs Computing kpt #: 137 total cpu time spent up to now is 195.1 secs Computing kpt #: 138 total cpu time spent up to now is 196.5 secs Computing kpt #: 139 total cpu time spent up to now is 197.9 secs Computing kpt #: 140 total cpu time spent up to now is 199.3 secs Computing kpt #: 141 total cpu time spent up to now is 200.6 secs Computing kpt #: 142 total cpu time spent up to now is 202.0 secs Computing kpt #: 143 total cpu time spent up to now is 203.3 secs Computing kpt #: 144 total cpu time spent up to now is 204.7 secs Computing kpt #: 145 total cpu time spent up to now is 206.0 secs Computing kpt #: 146 total cpu time spent up to now is 207.3 secs Computing kpt #: 147 total cpu time spent up to now is 208.6 secs Computing kpt #: 148 total cpu time spent up to now is 210.0 secs Computing kpt #: 149 total cpu time spent up to now is 211.3 secs Computing kpt #: 150 total cpu time spent up to now is 212.6 secs Computing kpt #: 151 total cpu time spent up to now is 213.9 secs Computing kpt #: 152 total cpu time spent up to now is 215.3 secs Computing kpt #: 153 total cpu time spent up to now is 216.7 secs Computing kpt #: 154 total cpu time spent up to now is 218.0 secs Computing kpt #: 155 total cpu time spent up to now is 219.4 secs Computing kpt #: 156 total cpu time spent up to now is 220.8 secs Computing kpt #: 157 total cpu time spent up to now is 222.2 secs Computing kpt #: 158 total cpu time spent up to now is 223.6 secs Computing kpt #: 159 total cpu time spent up to now is 224.9 secs Computing kpt #: 160 total cpu time spent up to now is 226.3 secs Computing kpt #: 161 total cpu time spent up to now is 227.7 secs Computing kpt #: 162 total cpu time spent up to now is 229.1 secs Computing kpt #: 163 total cpu time spent up to now is 230.4 secs Computing kpt #: 164 total cpu time spent up to now is 231.8 secs Computing kpt #: 165 total cpu time spent up to now is 233.2 secs Computing kpt #: 166 total cpu time spent up to now is 234.5 secs Computing kpt #: 167 total cpu time spent up to now is 235.9 secs Computing kpt #: 168 total cpu time spent up to now is 237.3 secs Computing kpt #: 169 total cpu time spent up to now is 238.7 secs Computing kpt #: 170 total cpu time spent up to now is 240.0 secs Computing kpt #: 171 total cpu time spent up to now is 241.4 secs Computing kpt #: 172 total cpu time spent up to now is 242.7 secs Computing kpt #: 173 total cpu time spent up to now is 244.1 secs Computing kpt #: 174 total cpu time spent up to now is 245.5 secs Computing kpt #: 175 total cpu time spent up to now is 246.9 secs Computing kpt #: 176 total cpu time spent up to now is 248.3 secs Computing kpt #: 177 total cpu time spent up to now is 249.7 secs Computing kpt #: 178 total cpu time spent up to now is 251.1 secs Computing kpt #: 179 total cpu time spent up to now is 252.4 secs Computing kpt #: 180 total cpu time spent up to now is 253.8 secs Computing kpt #: 181 total cpu time spent up to now is 255.3 secs Computing kpt #: 182 total cpu time spent up to now is 256.7 secs Computing kpt #: 183 total cpu time spent up to now is 258.2 secs Computing kpt #: 184 total cpu time spent up to now is 259.6 secs Computing kpt #: 185 total cpu time spent up to now is 261.1 secs Computing kpt #: 186 total cpu time spent up to now is 262.5 secs Computing kpt #: 187 total cpu time spent up to now is 264.0 secs Computing kpt #: 188 total cpu time spent up to now is 265.5 secs Computing kpt #: 189 total cpu time spent up to now is 266.8 secs Computing kpt #: 190 total cpu time spent up to now is 268.2 secs Computing kpt #: 191 total cpu time spent up to now is 269.6 secs Computing kpt #: 192 total cpu time spent up to now is 271.0 secs Computing kpt #: 193 total cpu time spent up to now is 272.5 secs Computing kpt #: 194 total cpu time spent up to now is 273.9 secs Computing kpt #: 195 total cpu time spent up to now is 275.3 secs Computing kpt #: 196 total cpu time spent up to now is 276.7 secs Computing kpt #: 197 total cpu time spent up to now is 278.1 secs Computing kpt #: 198 total cpu time spent up to now is 279.5 secs Computing kpt #: 199 total cpu time spent up to now is 281.0 secs Computing kpt #: 200 total cpu time spent up to now is 282.4 secs Computing kpt #: 201 total cpu time spent up to now is 283.8 secs Computing kpt #: 202 total cpu time spent up to now is 285.2 secs Computing kpt #: 203 total cpu time spent up to now is 286.7 secs Computing kpt #: 204 total cpu time spent up to now is 288.1 secs Computing kpt #: 205 total cpu time spent up to now is 289.5 secs Computing kpt #: 206 total cpu time spent up to now is 290.9 secs Computing kpt #: 207 total cpu time spent up to now is 292.3 secs Computing kpt #: 208 total cpu time spent up to now is 293.7 secs Computing kpt #: 209 total cpu time spent up to now is 295.2 secs Computing kpt #: 210 total cpu time spent up to now is 296.9 secs Computing kpt #: 211 total cpu time spent up to now is 298.5 secs Computing kpt #: 212 total cpu time spent up to now is 300.2 secs Computing kpt #: 213 total cpu time spent up to now is 301.6 secs Computing kpt #: 214 total cpu time spent up to now is 303.0 secs Computing kpt #: 215 total cpu time spent up to now is 304.5 secs Computing kpt #: 216 total cpu time spent up to now is 305.9 secs Computing kpt #: 217 total cpu time spent up to now is 307.3 secs Computing kpt #: 218 total cpu time spent up to now is 308.7 secs Computing kpt #: 219 total cpu time spent up to now is 310.1 secs Computing kpt #: 220 total cpu time spent up to now is 311.5 secs Computing kpt #: 221 total cpu time spent up to now is 312.9 secs Computing kpt #: 222 total cpu time spent up to now is 314.2 secs Computing kpt #: 223 total cpu time spent up to now is 315.6 secs Computing kpt #: 224 total cpu time spent up to now is 317.0 secs Computing kpt #: 225 total cpu time spent up to now is 318.3 secs Computing kpt #: 226 total cpu time spent up to now is 319.7 secs Computing kpt #: 227 total cpu time spent up to now is 321.1 secs ethr = 1.39E-08, avg # of iterations = 18.5 total cpu time spent up to now is 321.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9273 PWs) bands (ev): -10.2030 -10.2030 -10.0314 -10.0314 -8.3026 -8.3026 -8.0398 -8.0398 -8.0285 -8.0285 -7.8698 -7.8698 -7.8129 -7.8129 -7.7238 -7.7238 -5.6806 -5.6806 -5.4827 -5.4827 -4.0112 -4.0112 -3.6535 -3.6535 -0.3829 -0.3829 0.0427 0.0427 0.6241 0.6241 0.6377 0.6377 0.7688 0.7688 0.9802 0.9802 1.5122 1.5122 1.5702 1.5702 1.9476 1.9476 2.0474 2.0474 2.2121 2.2121 2.3581 2.3581 2.5872 2.5872 2.7563 2.7563 2.9908 2.9908 3.1425 3.1425 3.2497 3.2497 3.4101 3.4101 3.4748 3.4748 3.5693 3.5693 3.7122 3.7122 3.7693 3.7693 3.9315 3.9315 4.5422 4.5422 6.1367 6.1367 6.1449 6.1449 6.6014 6.6014 6.6228 6.6228 6.8827 6.8827 6.9106 6.9106 7.1591 7.1591 k = 0.0000 0.0000 0.0126 ( 9270 PWs) bands (ev): -10.2026 -10.2026 -10.0318 -10.0318 -8.3035 -8.3035 -8.0422 -8.0422 -8.0283 -8.0283 -7.8725 -7.8725 -7.8106 -7.8106 -7.7190 -7.7190 -5.6817 -5.6817 -5.4844 -5.4844 -4.0097 -4.0097 -3.6535 -3.6535 -0.3821 -0.3821 0.0414 0.0414 0.6223 0.6223 0.6414 0.6414 0.7704 0.7704 0.9801 0.9801 1.5079 1.5079 1.5685 1.5685 1.9484 1.9484 2.0452 2.0452 2.2150 2.2150 2.3587 2.3587 2.5877 2.5877 2.7547 2.7547 2.9917 2.9917 3.1391 3.1391 3.2519 3.2519 3.4089 3.4089 3.4773 3.4773 3.5692 3.5692 3.7122 3.7122 3.7732 3.7732 3.9317 3.9317 4.5413 4.5413 6.1329 6.1329 6.1484 6.1484 6.5966 6.5966 6.6266 6.6266 6.8783 6.8783 6.9093 6.9093 7.1600 7.1600 k = 0.0000 0.0000 0.0253 ( 9280 PWs) bands (ev): -10.2015 -10.2015 -10.0328 -10.0328 -8.3063 -8.3063 -8.0493 -8.0493 -8.0277 -8.0277 -7.8794 -7.8794 -7.8036 -7.8036 -7.7060 -7.7060 -5.6849 -5.6849 -5.4892 -5.4892 -4.0053 -4.0053 -3.6537 -3.6537 -0.3797 -0.3797 0.0377 0.0377 0.6199 0.6199 0.6497 0.6497 0.7750 0.7750 0.9798 0.9798 1.4954 1.4954 1.5634 1.5634 1.9507 1.9507 2.0395 2.0395 2.2230 2.2230 2.3605 2.3605 2.5890 2.5890 2.7503 2.7503 2.9941 2.9941 3.1300 3.1300 3.2578 3.2578 3.4061 3.4061 3.4839 3.4839 3.5693 3.5693 3.7124 3.7124 3.7844 3.7844 3.9322 3.9322 4.5383 4.5383 6.1264 6.1264 6.1544 6.1544 6.5864 6.5864 6.6336 6.6336 6.8658 6.8658 6.9055 6.9055 7.1567 7.1567 k = 0.0000 0.0000 0.0379 ( 9275 PWs) bands (ev): -10.1996 -10.1996 -10.0345 -10.0345 -8.3105 -8.3105 -8.0607 -8.0607 -8.0267 -8.0267 -7.8881 -7.8881 -7.7924 -7.7924 -7.6874 -7.6874 -5.6900 -5.6900 -5.4972 -5.4972 -3.9982 -3.9982 -3.6542 -3.6542 -0.3757 -0.3757 0.0317 0.0317 0.6189 0.6189 0.6605 0.6605 0.7825 0.7825 0.9794 0.9794 1.4758 1.4758 1.5544 1.5544 1.9545 1.9545 2.0319 2.0319 2.2338 2.2338 2.3640 2.3640 2.5898 2.5898 2.7442 2.7442 2.9974 2.9974 3.1173 3.1173 3.2662 3.2662 3.4031 3.4031 3.4923 3.4923 3.5701 3.5701 3.7129 3.7129 3.8022 3.8022 3.9332 3.9332 4.5334 4.5334 6.1191 6.1191 6.1610 6.1610 6.5738 6.5738 6.6402 6.6402 6.8472 6.8472 6.8993 6.8993 7.1502 7.1502 k = 0.0000 0.0000 0.0505 ( 9274 PWs) bands (ev): -10.1971 -10.1971 -10.0369 -10.0369 -8.3159 -8.3159 -8.0760 -8.0760 -8.0253 -8.0253 -7.8970 -7.8970 -7.7774 -7.7774 -7.6657 -7.6657 -5.6968 -5.6968 -5.5080 -5.5080 -3.9884 -3.9884 -3.6549 -3.6549 -0.3702 -0.3702 0.0234 0.0234 0.6200 0.6200 0.6731 0.6731 0.7927 0.7927 0.9787 0.9787 1.4501 1.4501 1.5412 1.5412 1.9594 1.9594 2.0246 2.0246 2.2451 2.2451 2.3695 2.3695 2.5890 2.5890 2.7375 2.7375 3.0006 3.0006 3.1035 3.1035 3.2760 3.2760 3.4013 3.4013 3.5006 3.5006 3.5725 3.5725 3.7139 3.7139 3.8254 3.8254 3.9343 3.9343 4.5266 4.5266 6.1113 6.1113 6.1683 6.1683 6.5593 6.5593 6.6453 6.6453 6.8245 6.8245 6.8910 6.8910 7.1419 7.1419 k = 0.0000 0.0000 0.0632 ( 9271 PWs) bands (ev): -10.1938 -10.1938 -10.0400 -10.0400 -8.3218 -8.3218 -8.0942 -8.0942 -8.0234 -8.0234 -7.9053 -7.9053 -7.7593 -7.7593 -7.6426 -7.6426 -5.7050 -5.7050 -5.5215 -5.5215 -3.9762 -3.9762 -3.6561 -3.6561 -0.3632 -0.3632 0.0130 0.0130 0.6235 0.6235 0.6875 0.6875 0.8053 0.8053 0.9777 0.9777 1.4196 1.4196 1.5237 1.5237 1.9651 1.9651 2.0192 2.0192 2.2547 2.2547 2.3770 2.3770 2.5856 2.5856 2.7312 2.7312 3.0029 3.0029 3.0906 3.0906 3.2862 3.2862 3.4015 3.4015 3.5078 3.5078 3.5767 3.5767 3.7154 3.7154 3.8527 3.8527 3.9358 3.9358 4.5179 4.5179 6.1034 6.1034 6.1763 6.1763 6.5426 6.5426 6.6476 6.6476 6.7998 6.7998 6.8811 6.8811 7.1328 7.1328 k = 0.0000 0.0000 0.0758 ( 9281 PWs) bands (ev): -10.1899 -10.1899 -10.0436 -10.0436 -8.3280 -8.3280 -8.1144 -8.1144 -8.0211 -8.0211 -7.9127 -7.9127 -7.7387 -7.7387 -7.6192 -7.6192 -5.7141 -5.7141 -5.5374 -5.5374 -3.9619 -3.9619 -3.6578 -3.6578 -0.3548 -0.3548 0.0009 0.0009 0.6294 0.6294 0.7034 0.7034 0.8199 0.8199 0.9763 0.9763 1.3853 1.3853 1.5018 1.5018 1.9711 1.9711 2.0172 2.0172 2.2615 2.2615 2.3852 2.3852 2.5800 2.5800 2.7255 2.7255 3.0033 3.0033 3.0803 3.0803 3.2961 3.2961 3.4044 3.4044 3.5138 3.5138 3.5823 3.5823 3.7177 3.7177 3.8825 3.8825 3.9381 3.9381 4.5074 4.5074 6.0957 6.0957 6.1852 6.1852 6.5236 6.5236 6.6462 6.6462 6.7751 6.7751 6.8702 6.8702 7.1240 7.1240 k = 0.0000 0.0000 0.0884 ( 9281 PWs) bands (ev): -10.1854 -10.1854 -10.0479 -10.0479 -8.3338 -8.3338 -8.1359 -8.1359 -8.0185 -8.0185 -7.9194 -7.9194 -7.7162 -7.7162 -7.5966 -7.5966 -5.7236 -5.7236 -5.5552 -5.5552 -3.9457 -3.9457 -3.6604 -3.6604 -0.3450 -0.3450 -0.0128 -0.0128 0.6378 0.6378 0.7207 0.7207 0.8362 0.8362 0.9746 0.9746 1.3484 1.3484 1.4760 1.4760 1.9770 1.9770 2.0196 2.0196 2.2651 2.2651 2.3921 2.3921 2.5739 2.5739 2.7199 2.7199 3.0015 3.0015 3.0734 3.0734 3.3054 3.3054 3.4102 3.4102 3.5188 3.5188 3.5886 3.5886 3.7211 3.7211 3.9104 3.9104 3.9445 3.9445 4.4951 4.4951 6.0887 6.0887 6.1948 6.1948 6.5018 6.5018 6.6396 6.6396 6.7525 6.7525 6.8587 6.8587 7.1166 7.1166 k = 0.0000 0.0000 0.1011 ( 9278 PWs) bands (ev): -10.1802 -10.1802 -10.0528 -10.0528 -8.3390 -8.3390 -8.1580 -8.1580 -8.0154 -8.0154 -7.9256 -7.9256 -7.6925 -7.6925 -7.5752 -7.5752 -5.7331 -5.7331 -5.5745 -5.5745 -3.9281 -3.9281 -3.6638 -3.6638 -0.3339 -0.3339 -0.0279 -0.0279 0.6487 0.6487 0.7393 0.7393 0.8539 0.8539 0.9723 0.9723 1.3098 1.3098 1.4466 1.4466 1.9829 1.9829 2.0264 2.0264 2.2654 2.2654 2.3950 2.3950 2.5698 2.5698 2.7140 2.7140 2.9984 2.9984 3.0693 3.0693 3.3141 3.3141 3.4185 3.4185 3.5235 3.5235 3.5947 3.5947 3.7259 3.7259 3.9240 3.9240 3.9660 3.9660 4.4811 4.4811 6.0830 6.0830 6.2051 6.2051 6.4773 6.4773 6.6271 6.6271 6.7337 6.7337 6.8467 6.8467 7.1117 7.1117 k = 0.0000 0.0000 0.1137 ( 9264 PWs) bands (ev): -10.1745 -10.1745 -10.0583 -10.0583 -8.3431 -8.3431 -8.1800 -8.1800 -8.0120 -8.0120 -7.9315 -7.9315 -7.6681 -7.6681 -7.5559 -7.5559 -5.7420 -5.7420 -5.5950 -5.5950 -3.9094 -3.9094 -3.6684 -3.6684 -0.3216 -0.3216 -0.0442 -0.0442 0.6621 0.6621 0.7588 0.7588 0.8727 0.8727 0.9696 0.9696 1.2703 1.2703 1.4141 1.4141 1.9896 1.9896 2.0368 2.0368 2.2627 2.2627 2.3916 2.3916 2.5699 2.5699 2.7073 2.7073 2.9950 2.9950 3.0663 3.0663 3.3228 3.3228 3.4283 3.4283 3.5284 3.5284 3.5999 3.5999 3.7325 3.7325 3.9258 3.9258 3.9994 3.9994 4.4654 4.4654 6.0790 6.0790 6.2160 6.2160 6.4504 6.4504 6.6089 6.6089 6.7194 6.7194 6.8341 6.8341 7.1102 7.1102 k = 0.0000 0.0000 0.1263 ( 9268 PWs) bands (ev): -10.1683 -10.1683 -10.0642 -10.0642 -8.3460 -8.3460 -8.2015 -8.2015 -8.0083 -8.0083 -7.9372 -7.9372 -7.6436 -7.6436 -7.5389 -7.5389 -5.7497 -5.7497 -5.6161 -5.6161 -3.8898 -3.8898 -3.6742 -3.6742 -0.3082 -0.3082 -0.0613 -0.0613 0.6778 0.6778 0.7790 0.7790 0.8920 0.8920 0.9666 0.9666 1.2310 1.2310 1.3793 1.3793 1.9979 1.9979 2.0497 2.0497 2.2572 2.2572 2.3816 2.3816 2.5747 2.5747 2.7001 2.7001 2.9924 2.9924 3.0633 3.0633 3.3321 3.3321 3.4380 3.4380 3.5340 3.5340 3.6039 3.6039 3.7411 3.7411 3.9236 3.9236 4.0357 4.0357 4.4480 4.4480 6.0773 6.0773 6.2268 6.2268 6.4221 6.4221 6.5864 6.5864 6.7093 6.7093 6.8208 6.8208 7.1127 7.1127 k = 0.0000 0.0000 0.1390 ( 9269 PWs) bands (ev): -10.1616 -10.1616 -10.0706 -10.0706 -8.3473 -8.3473 -8.2222 -8.2222 -8.0043 -8.0043 -7.9428 -7.9428 -7.6197 -7.6197 -7.5248 -7.5248 -5.7559 -5.7559 -5.6373 -5.6373 -3.8697 -3.8697 -3.6813 -3.6813 -0.2938 -0.2938 -0.0791 -0.0791 0.6958 0.6958 0.7990 0.7990 0.9110 0.9110 0.9640 0.9640 1.1928 1.1928 1.3429 1.3429 2.0081 2.0081 2.0640 2.0640 2.2494 2.2494 2.3660 2.3660 2.5831 2.5831 2.6924 2.6924 2.9912 2.9912 3.0592 3.0592 3.3428 3.3428 3.4458 3.4458 3.5406 3.5406 3.6063 3.6063 3.7521 3.7521 3.9191 3.9191 4.0728 4.0728 4.4289 4.4289 6.0784 6.0784 6.2364 6.2364 6.3944 6.3944 6.5611 6.5611 6.7028 6.7028 6.8066 6.8066 7.1190 7.1190 k = 0.0000 0.0000 0.1516 ( 9262 PWs) bands (ev): -10.1546 -10.1546 -10.0775 -10.0775 -8.3470 -8.3470 -8.2419 -8.2419 -8.0000 -8.0000 -7.9483 -7.9483 -7.5967 -7.5967 -7.5139 -7.5139 -5.7601 -5.7601 -5.6581 -5.6581 -3.8495 -3.8495 -3.6899 -3.6899 -0.2785 -0.2785 -0.0975 -0.0975 0.7157 0.7157 0.8180 0.8180 0.9272 0.9272 0.9642 0.9642 1.1570 1.1570 1.3055 1.3055 2.0203 2.0203 2.0788 2.0788 2.2400 2.2400 2.3467 2.3467 2.5936 2.5936 2.6847 2.6847 2.9916 2.9916 3.0538 3.0538 3.3548 3.3548 3.4505 3.4505 3.5484 3.5484 3.6071 3.6071 3.7652 3.7652 3.9125 3.9125 4.1096 4.1096 4.4081 4.4081 6.0827 6.0827 6.2423 6.2423 6.3706 6.3706 6.5344 6.5344 6.6995 6.6995 6.7919 6.7919 7.1289 7.1289 k = 0.0000 0.0000 0.1642 ( 9267 PWs) bands (ev): -10.1472 -10.1472 -10.0847 -10.0847 -8.3449 -8.3449 -8.2602 -8.2602 -7.9954 -7.9954 -7.9538 -7.9538 -7.5753 -7.5753 -7.5064 -7.5064 -5.7618 -5.7618 -5.6781 -5.6781 -3.8293 -3.8293 -3.7000 -3.7000 -0.2624 -0.2624 -0.1162 -0.1162 0.7373 0.7373 0.8343 0.8343 0.9357 0.9357 0.9716 0.9716 1.1255 1.1255 1.2677 1.2677 2.0342 2.0342 2.0928 2.0928 2.2303 2.2303 2.3253 2.3253 2.6049 2.6049 2.6770 2.6770 2.9935 2.9935 3.0471 3.0471 3.3681 3.3681 3.4514 3.4514 3.5570 3.5570 3.6063 3.6063 3.7804 3.7804 3.9038 3.9038 4.1458 4.1458 4.3856 4.3856 6.0905 6.0905 6.2401 6.2401 6.3564 6.3564 6.5070 6.5070 6.6990 6.6990 6.7768 6.7768 7.1418 7.1418 k = 0.0000 0.0000 0.1769 ( 9260 PWs) bands (ev): -10.1396 -10.1396 -10.0921 -10.0921 -8.3409 -8.3409 -8.2771 -8.2771 -7.9906 -7.9906 -7.9592 -7.9592 -7.5559 -7.5559 -7.5027 -7.5027 -5.7609 -5.7609 -5.6968 -5.6968 -3.8096 -3.8096 -3.7116 -3.7116 -0.2455 -0.2455 -0.1351 -0.1351 0.7600 0.7600 0.8453 0.8453 0.9387 0.9387 0.9833 0.9833 1.1023 1.1023 1.2304 1.2304 2.0494 2.0494 2.1038 2.1038 2.2229 2.2229 2.3030 2.3030 2.6161 2.6161 2.6695 2.6695 2.9969 2.9969 3.0395 3.0395 3.3821 3.3821 3.4487 3.4487 3.5659 3.5659 3.6041 3.6041 3.7970 3.7970 3.8930 3.8930 4.1810 4.1810 4.3614 4.3614 6.1020 6.1020 6.2268 6.2268 6.3555 6.3555 6.4797 6.4797 6.7013 6.7013 6.7620 6.7620 7.1569 7.1569 k = 0.0000 0.0000 0.1895 ( 9265 PWs) bands (ev): -10.1317 -10.1317 -10.0999 -10.0999 -8.3350 -8.3350 -8.2923 -8.2923 -7.9857 -7.9857 -7.9646 -7.9646 -7.5389 -7.5389 -7.5027 -7.5027 -5.7571 -5.7571 -5.7138 -5.7138 -3.7905 -3.7905 -3.7247 -3.7247 -0.2281 -0.2281 -0.1541 -0.1541 0.7831 0.7831 0.8477 0.8477 0.9436 0.9436 0.9883 0.9883 1.0944 1.0944 1.1941 1.1941 2.0653 2.0653 2.1086 2.1086 2.2212 2.2212 2.2809 2.2809 2.6267 2.6267 2.6619 2.6619 3.0018 3.0018 3.0313 3.0313 3.3963 3.3963 3.4427 3.4427 3.5746 3.5746 3.6005 3.6005 3.8145 3.8145 3.8802 3.8802 4.2149 4.2149 4.3354 4.3354 6.1172 6.1172 6.2055 6.2055 6.3658 6.3658 6.4530 6.4530 6.7063 6.7063 6.7478 6.7478 7.1734 7.1734 k = 0.0000 0.0000 0.2021 ( 9261 PWs) bands (ev): -10.1238 -10.1238 -10.1078 -10.1078 -8.3272 -8.3272 -8.3058 -8.3058 -7.9806 -7.9806 -7.9700 -7.9700 -7.5248 -7.5248 -7.5065 -7.5065 -5.7504 -5.7504 -5.7285 -5.7285 -3.7723 -3.7723 -3.7393 -3.7393 -0.2101 -0.2101 -0.1730 -0.1730 0.8053 0.8053 0.8403 0.8403 0.9537 0.9537 0.9812 0.9812 1.1053 1.1053 1.1599 1.1599 2.0811 2.0811 2.1054 2.1054 2.2277 2.2277 2.2599 2.2599 2.6365 2.6365 2.6540 2.6540 3.0080 3.0080 3.0230 3.0230 3.4101 3.4101 3.4339 3.4339 3.5826 3.5826 3.5956 3.5956 3.8322 3.8322 3.8655 3.8655 4.2475 4.2475 4.3078 4.3078 6.1359 6.1359 6.1814 6.1814 6.3828 6.3828 6.4275 6.4275 6.7137 6.7137 6.7348 6.7348 7.1908 7.1908 k = 0.0000 0.0000 0.2148 ( 9258 PWs) bands (ev): -10.1158 -10.1158 -10.1158 -10.1158 -8.3174 -8.3174 -8.3174 -8.3174 -7.9753 -7.9753 -7.9753 -7.9753 -7.5139 -7.5139 -7.5139 -7.5139 -5.7408 -5.7408 -5.7408 -5.7408 -3.7552 -3.7552 -3.7552 -3.7552 -0.1917 -0.1917 -0.1917 -0.1917 0.8252 0.8252 0.8252 0.8252 0.9675 0.9675 0.9675 0.9675 1.1293 1.1293 1.1293 1.1293 2.0952 2.0952 2.0952 2.0952 2.2414 2.2414 2.2414 2.2414 2.6456 2.6456 2.6456 2.6456 3.0151 3.0151 3.0151 3.0151 3.4228 3.4228 3.4228 3.4228 3.5896 3.5896 3.5896 3.5896 3.8494 3.8494 3.8494 3.8494 4.2784 4.2784 4.2784 4.2784 6.1576 6.1576 6.1576 6.1576 6.4038 6.4038 6.4038 6.4038 6.7233 6.7233 6.7233 6.7233 7.2084 7.2084 k = 0.0000 0.0000 0.2148 ( 9258 PWs) bands (ev): -10.1158 -10.1158 -10.1158 -10.1158 -8.3174 -8.3174 -8.3174 -8.3174 -7.9753 -7.9753 -7.9753 -7.9753 -7.5139 -7.5139 -7.5139 -7.5139 -5.7408 -5.7408 -5.7408 -5.7408 -3.7552 -3.7552 -3.7552 -3.7552 -0.1917 -0.1917 -0.1917 -0.1917 0.8252 0.8252 0.8252 0.8252 0.9675 0.9675 0.9675 0.9675 1.1293 1.1293 1.1293 1.1293 2.0952 2.0952 2.0952 2.0952 2.2414 2.2414 2.2414 2.2414 2.6456 2.6456 2.6456 2.6456 3.0151 3.0151 3.0151 3.0151 3.4228 3.4228 3.4228 3.4228 3.5896 3.5896 3.5896 3.5896 3.8494 3.8494 3.8494 3.8494 4.2784 4.2784 4.2784 4.2784 6.1576 6.1576 6.1576 6.1576 6.4038 6.4038 6.4038 6.4038 6.7233 6.7233 6.7233 6.7233 7.2084 7.2084 k = 0.0000 0.0131 0.2148 ( 9257 PWs) bands (ev): -10.1167 -10.1167 -10.1146 -10.1146 -8.3255 -8.3255 -8.3114 -8.3114 -7.9770 -7.9770 -7.9715 -7.9715 -7.5192 -7.5192 -7.5086 -7.5086 -5.7533 -5.7533 -5.7283 -5.7283 -3.7639 -3.7639 -3.7462 -3.7462 -0.2234 -0.2234 -0.1609 -0.1609 0.8175 0.8175 0.8311 0.8311 0.9555 0.9555 0.9780 0.9780 1.1217 1.1217 1.1363 1.1363 2.0644 2.0644 2.1247 2.1247 2.2335 2.2335 2.2533 2.2533 2.6158 2.6158 2.6770 2.6770 3.0077 3.0077 3.0263 3.0263 3.4160 3.4160 3.4287 3.4287 3.5810 3.5810 3.5991 3.5991 3.8320 3.8320 3.8693 3.8693 4.2638 4.2638 4.2929 4.2929 6.1464 6.1464 6.1662 6.1662 6.3985 6.3985 6.4086 6.4086 6.7037 6.7037 6.7407 6.7407 7.1990 7.1990 k = 0.0000 0.0263 0.2148 ( 9251 PWs) bands (ev): -10.1175 -10.1175 -10.1134 -10.1134 -8.3354 -8.3354 -8.3077 -8.3077 -7.9768 -7.9768 -7.9656 -7.9656 -7.5245 -7.5245 -7.5033 -7.5033 -5.7656 -5.7656 -5.7159 -5.7159 -3.7723 -3.7723 -3.7369 -3.7369 -0.2558 -0.2558 -0.1313 -0.1313 0.8077 0.8077 0.8355 0.8355 0.9425 0.9425 0.9866 0.9866 1.1142 1.1142 1.1425 1.1425 2.0333 2.0333 2.1511 2.1511 2.2301 2.2301 2.2684 2.2684 2.5890 2.5890 2.7089 2.7089 3.0040 3.0040 3.0412 3.0412 3.4087 3.4087 3.4330 3.4330 3.5743 3.5743 3.6084 3.6084 3.8176 3.8176 3.8912 3.8912 4.2493 4.2493 4.3071 4.3071 6.1328 6.1328 6.1718 6.1718 6.3928 6.3928 6.4128 6.4128 6.6833 6.6833 6.7548 6.7548 7.1889 7.1889 k = 0.0000 0.0394 0.2148 ( 9245 PWs) bands (ev): -10.1182 -10.1182 -10.1120 -10.1120 -8.3468 -8.3468 -8.3060 -8.3060 -7.9749 -7.9749 -7.9576 -7.9576 -7.5298 -7.5298 -7.4981 -7.4981 -5.7776 -5.7776 -5.7035 -5.7035 -3.7802 -3.7802 -3.7275 -3.7275 -0.2884 -0.2884 -0.1033 -0.1033 0.7954 0.7954 0.8386 0.8386 0.9291 0.9291 0.9928 0.9928 1.1073 1.1073 1.1477 1.1477 2.0026 2.0026 2.1716 2.1716 2.2322 2.2322 2.2866 2.2866 2.5669 2.5669 2.7405 2.7405 3.0040 3.0040 3.0593 3.0593 3.4013 3.4013 3.4351 3.4351 3.5704 3.5704 3.6171 3.6171 3.8065 3.8065 3.9148 3.9148 4.2351 4.2351 4.3208 4.3208 6.1171 6.1171 6.1741 6.1741 6.3870 6.3870 6.4161 6.4161 6.6635 6.6635 6.7647 6.7647 7.1780 7.1780 k = 0.0000 0.0526 0.2148 ( 9251 PWs) bands (ev): -10.1186 -10.1186 -10.1106 -10.1106 -8.3593 -8.3593 -8.3064 -8.3064 -7.9716 -7.9716 -7.9477 -7.9477 -7.5351 -7.5351 -7.4929 -7.4929 -5.7892 -5.7892 -5.6915 -5.6915 -3.7878 -3.7878 -3.7180 -3.7180 -0.3209 -0.3209 -0.0771 -0.0771 0.7806 0.7806 0.8405 0.8405 0.9159 0.9159 0.9968 0.9968 1.1011 1.1011 1.1521 1.1521 1.9725 1.9725 2.1840 2.1840 2.2389 2.2389 2.3079 2.3079 2.5513 2.5513 2.7712 2.7712 3.0074 3.0074 3.0805 3.0805 3.3938 3.3938 3.4351 3.4351 3.5700 3.5700 3.6247 3.6247 3.7988 3.7988 3.9394 3.9394 4.2214 4.2214 4.3337 4.3337 6.0995 6.0995 6.1727 6.1727 6.3811 6.3811 6.4188 6.4188 6.6456 6.6456 6.7699 6.7699 7.1661 7.1661 k = 0.0000 0.0657 0.2148 ( 9265 PWs) bands (ev): -10.1189 -10.1189 -10.1091 -10.1091 -8.3725 -8.3725 -8.3084 -8.3084 -7.9673 -7.9673 -7.9364 -7.9364 -7.5403 -7.5403 -7.4878 -7.4878 -5.8004 -5.8004 -5.6797 -5.6797 -3.7950 -3.7950 -3.7085 -3.7085 -0.3529 -0.3529 -0.0530 -0.0530 0.7631 0.7631 0.8415 0.8415 0.9034 0.9034 0.9990 0.9990 1.0957 1.0957 1.1559 1.1559 1.9435 1.9435 2.1893 2.1893 2.2464 2.2464 2.3326 2.3326 2.5439 2.5439 2.8008 2.8008 3.0138 3.0138 3.1041 3.1041 3.3862 3.3862 3.4338 3.4338 3.5727 3.5727 3.6315 3.6315 3.7945 3.7945 3.9646 3.9646 4.2084 4.2084 4.3457 4.3457 6.0802 6.0802 6.1672 6.1672 6.3754 6.3754 6.4209 6.4209 6.6306 6.6306 6.7704 6.7704 7.1527 7.1527 k = 0.0000 0.0789 0.2148 ( 9264 PWs) bands (ev): -10.1191 -10.1191 -10.1076 -10.1076 -8.3861 -8.3861 -8.3119 -8.3119 -7.9623 -7.9623 -7.9240 -7.9240 -7.5455 -7.5455 -7.4828 -7.4828 -5.8111 -5.8111 -5.6685 -5.6685 -3.8017 -3.8017 -3.6990 -3.6990 -0.3841 -0.3841 -0.0312 -0.0312 0.7434 0.7434 0.8414 0.8414 0.8921 0.8921 0.9999 0.9999 1.0906 1.0906 1.1595 1.1595 1.9159 1.9159 2.1892 2.1892 2.2516 2.2516 2.3597 2.3597 2.5449 2.5449 2.8293 2.8293 3.0224 3.0224 3.1295 3.1295 3.3783 3.3783 3.4326 3.4326 3.5776 3.5776 3.6382 3.6382 3.7930 3.7930 3.9898 3.9898 4.1965 4.1965 4.3567 4.3567 6.0594 6.0594 6.1578 6.1578 6.3699 6.3699 6.4228 6.4228 6.6191 6.6191 6.7664 6.7664 7.1373 7.1373 k = 0.0000 0.0920 0.2148 ( 9270 PWs) bands (ev): -10.1190 -10.1190 -10.1061 -10.1061 -8.3996 -8.3996 -8.3165 -8.3165 -7.9568 -7.9568 -7.9109 -7.9109 -7.5506 -7.5506 -7.4779 -7.4779 -5.8211 -5.8211 -5.6577 -5.6577 -3.8080 -3.8080 -3.6896 -3.6896 -0.4142 -0.4142 -0.0119 -0.0119 0.7220 0.7220 0.8404 0.8404 0.8824 0.8824 1.0002 1.0002 1.0853 1.0853 1.1631 1.1631 1.8898 1.8898 2.1842 2.1842 2.2549 2.2549 2.3881 2.3881 2.5535 2.5535 2.8566 2.8566 3.0325 3.0325 3.1558 3.1558 3.3702 3.3702 3.4330 3.4330 3.5834 3.5834 3.6455 3.6455 3.7937 3.7937 4.0144 4.0144 4.1860 4.1860 4.3663 4.3663 6.0373 6.0373 6.1447 6.1447 6.3647 6.3647 6.4249 6.4249 6.6111 6.6111 6.7586 6.7586 7.1194 7.1194 k = 0.0000 0.1052 0.2148 ( 9266 PWs) bands (ev): -10.1188 -10.1188 -10.1047 -10.1047 -8.4128 -8.4128 -8.3218 -8.3218 -7.9511 -7.9511 -7.8975 -7.8975 -7.5556 -7.5556 -7.4732 -7.4732 -5.8303 -5.8303 -5.6477 -5.6477 -3.8138 -3.8138 -3.6805 -3.6805 -0.4428 -0.4428 0.0049 0.0049 0.6995 0.6995 0.8386 0.8386 0.8743 0.8743 1.0005 1.0005 1.0796 1.0796 1.1667 1.1667 1.8655 1.8655 2.1745 2.1745 2.2579 2.2579 2.4162 2.4162 2.5676 2.5676 2.8831 2.8831 3.0432 3.0432 3.1820 3.1820 3.3623 3.3623 3.4357 3.4357 3.5893 3.5893 3.6544 3.6544 3.7958 3.7958 4.0377 4.0377 4.1776 4.1776 4.3746 4.3746 6.0142 6.0142 6.1287 6.1287 6.3598 6.3598 6.4275 6.4275 6.6065 6.6065 6.7480 6.7480 7.0988 7.0988 k = 0.0000 0.1183 0.2148 ( 9266 PWs) bands (ev): -10.1185 -10.1185 -10.1033 -10.1033 -8.4254 -8.4254 -8.3275 -8.3275 -7.9454 -7.9454 -7.8842 -7.8842 -7.5606 -7.5606 -7.4688 -7.4688 -5.8388 -5.8388 -5.6383 -5.6383 -3.8193 -3.8193 -3.6718 -3.6718 -0.4696 -0.4696 0.0191 0.0191 0.6768 0.6768 0.8361 0.8361 0.8680 0.8680 1.0013 1.0013 1.0733 1.0733 1.1704 1.1704 1.8432 1.8432 2.1610 2.1610 2.2614 2.2614 2.4432 2.4432 2.5851 2.5851 2.9086 2.9086 3.0535 3.0535 3.2069 3.2069 3.3555 3.3555 3.4412 3.4412 3.5948 3.5948 3.6650 3.6650 3.7985 3.7985 4.0582 4.0582 4.1721 4.1721 4.3813 4.3813 5.9904 5.9904 6.1108 6.1108 6.3552 6.3552 6.4307 6.4307 6.6047 6.6047 6.7356 6.7356 7.0756 7.0756 k = 0.0000 0.1315 0.2148 ( 9274 PWs) bands (ev): -10.1181 -10.1181 -10.1021 -10.1021 -8.4372 -8.4372 -8.3333 -8.3333 -7.9399 -7.9399 -7.8714 -7.8714 -7.5653 -7.5653 -7.4645 -7.4645 -5.8464 -5.8464 -5.6298 -5.6298 -3.8243 -3.8243 -3.6635 -3.6635 -0.4943 -0.4943 0.0308 0.0308 0.6546 0.6546 0.8332 0.8332 0.8630 0.8630 1.0026 1.0026 1.0667 1.0667 1.1739 1.1739 1.8230 1.8230 2.1454 2.1454 2.2654 2.2654 2.4683 2.4683 2.6039 2.6039 2.9331 2.9331 3.0626 3.0626 3.2291 3.2291 3.3508 3.3508 3.4494 3.4494 3.6000 3.6000 3.6773 3.6773 3.8010 3.8010 4.0744 4.0744 4.1712 4.1712 4.3864 4.3864 5.9665 5.9665 6.0920 6.0920 6.3511 6.3511 6.4347 6.4347 6.6051 6.6051 6.7224 6.7224 7.0504 7.0504 k = 0.0000 0.1446 0.2148 ( 9271 PWs) bands (ev): -10.1175 -10.1175 -10.1010 -10.1010 -8.4479 -8.4479 -8.3391 -8.3391 -7.9346 -7.9346 -7.8595 -7.8595 -7.5698 -7.5698 -7.4606 -7.4606 -5.8530 -5.8530 -5.6222 -5.6222 -3.8289 -3.8289 -3.6557 -3.6557 -0.5166 -0.5166 0.0401 0.0401 0.6334 0.6334 0.8306 0.8306 0.8590 0.8590 1.0046 1.0046 1.0598 1.0598 1.1772 1.1772 1.8051 1.8051 2.1293 2.1293 2.2694 2.2694 2.4910 2.4910 2.6226 2.6226 2.9563 2.9563 3.0700 3.0700 3.2473 3.2473 3.3494 3.3494 3.4599 3.4599 3.6052 3.6052 3.6906 3.6906 3.8029 3.8029 4.0845 4.0845 4.1763 4.1763 4.3900 4.3900 5.9428 5.9428 6.0734 6.0734 6.3475 6.3475 6.4391 6.4391 6.6071 6.6071 6.7092 6.7092 7.0240 7.0240 k = 0.0000 0.1578 0.2148 ( 9266 PWs) bands (ev): -10.1169 -10.1169 -10.1001 -10.1001 -8.4573 -8.4573 -8.3446 -8.3446 -7.9298 -7.9298 -7.8486 -7.8486 -7.5741 -7.5741 -7.4570 -7.4570 -5.8587 -5.8587 -5.6156 -5.6156 -3.8332 -3.8332 -3.6485 -3.6485 -0.5364 -0.5364 0.0471 0.0471 0.6140 0.6140 0.8285 0.8285 0.8557 0.8557 1.0071 1.0071 1.0531 1.0531 1.1802 1.1802 1.7896 1.7896 2.1137 2.1137 2.2730 2.2730 2.5111 2.5111 2.6401 2.6401 2.9781 2.9781 3.0751 3.0751 3.2607 3.2607 3.3518 3.3518 3.4720 3.4720 3.6105 3.6105 3.7043 3.7043 3.8037 3.8037 4.0887 4.0887 4.1870 4.1870 4.3920 4.3920 5.9201 5.9201 6.0561 6.0561 6.3444 6.3444 6.4438 6.4438 6.6102 6.6102 6.6970 6.6970 6.9973 6.9973 k = 0.0000 0.1709 0.2148 ( 9268 PWs) bands (ev): -10.1161 -10.1161 -10.0995 -10.0995 -8.4653 -8.4653 -8.3496 -8.3496 -7.9256 -7.9256 -7.8392 -7.8392 -7.5779 -7.5779 -7.4537 -7.4537 -5.8633 -5.8633 -5.6101 -5.6101 -3.8371 -3.8371 -3.6420 -3.6420 -0.5533 -0.5533 0.0520 0.0520 0.5967 0.5967 0.8270 0.8270 0.8529 0.8529 1.0101 1.0101 1.0468 1.0468 1.1827 1.1827 1.7766 1.7766 2.0994 2.0994 2.2762 2.2762 2.5284 2.5284 2.6557 2.6557 2.9981 2.9981 3.0777 3.0777 3.2691 3.2691 3.3578 3.3578 3.4849 3.4849 3.6157 3.6157 3.7180 3.7180 3.8030 3.8030 4.0891 4.0891 4.2006 4.2006 4.3929 4.3929 5.8989 5.8989 6.0410 6.0410 6.3420 6.3420 6.4485 6.4485 6.6138 6.6138 6.6863 6.6863 6.9715 6.9715 k = 0.0000 0.1841 0.2148 ( 9270 PWs) bands (ev): -10.1153 -10.1153 -10.0991 -10.0991 -8.4717 -8.4717 -8.3541 -8.3541 -7.9219 -7.9219 -7.8314 -7.8314 -7.5813 -7.5813 -7.4508 -7.4508 -5.8668 -5.8668 -5.6056 -5.6056 -3.8406 -3.8406 -3.6362 -3.6362 -0.5672 -0.5672 0.0551 0.0551 0.5819 0.5819 0.8263 0.8263 0.8503 0.8503 1.0131 1.0131 1.0415 1.0415 1.1848 1.1848 1.7663 1.7663 2.0870 2.0870 2.2788 2.2788 2.5426 2.5426 2.6688 2.6688 3.0161 3.0161 3.0779 3.0779 3.2739 3.2739 3.3659 3.3659 3.4974 3.4974 3.6207 3.6207 3.7313 3.7313 3.8005 3.8005 4.0883 4.0883 4.2144 4.2144 4.3929 4.3929 5.8802 5.8802 6.0285 6.0285 6.3403 6.3403 6.4530 6.4530 6.6173 6.6173 6.6775 6.6775 6.9476 6.9476 k = 0.0000 0.1972 0.2148 ( 9279 PWs) bands (ev): -10.1145 -10.1145 -10.0990 -10.0990 -8.4765 -8.4765 -8.3578 -8.3578 -7.9188 -7.9188 -7.8256 -7.8256 -7.5842 -7.5842 -7.4483 -7.4483 -5.8692 -5.8692 -5.6023 -5.6023 -3.8437 -3.8437 -3.6313 -3.6313 -0.5779 -0.5779 0.0565 0.0565 0.5699 0.5699 0.8263 0.8263 0.8481 0.8481 1.0154 1.0154 1.0378 1.0378 1.1863 1.1863 1.7587 1.7587 2.0768 2.0768 2.2806 2.2806 2.5537 2.5537 2.6794 2.6794 3.0317 3.0317 3.0760 3.0760 3.2764 3.2764 3.3741 3.3741 3.5084 3.5084 3.6251 3.6251 3.7436 3.7436 3.7963 3.7963 4.0877 4.0877 4.2259 4.2259 4.3929 4.3929 5.8646 5.8646 6.0193 6.0193 6.3393 6.3393 6.4571 6.4571 6.6201 6.6201 6.6709 6.6709 6.9268 6.9268 k = 0.0000 0.2104 0.2148 ( 9275 PWs) bands (ev): -10.1137 -10.1137 -10.0991 -10.0991 -8.4797 -8.4797 -8.3608 -8.3608 -7.9165 -7.9165 -7.8218 -7.8218 -7.5864 -7.5864 -7.4463 -7.4463 -5.8704 -5.8704 -5.6002 -5.6002 -3.8466 -3.8466 -3.6273 -3.6273 -0.5853 -0.5853 0.0566 0.0566 0.5610 0.5610 0.8268 0.8268 0.8462 0.8462 1.0159 1.0159 1.0370 1.0370 1.1874 1.1874 1.7539 1.7539 2.0691 2.0691 2.2817 2.2817 2.5614 2.5614 2.6873 2.6873 3.0442 3.0442 3.0726 3.0726 3.2779 3.2779 3.3807 3.3807 3.5170 3.5170 3.6286 3.6286 3.7544 3.7544 3.7907 3.7907 4.0885 4.0885 4.2334 4.2334 4.3934 4.3934 5.8528 5.8528 6.0135 6.0135 6.3389 6.3389 6.4606 6.4606 6.6215 6.6215 6.6666 6.6666 6.9100 6.9100 k = 0.0000 0.2235 0.2148 ( 9282 PWs) bands (ev): -10.1128 -10.1128 -10.0996 -10.0996 -8.4810 -8.4810 -8.3629 -8.3629 -7.9149 -7.9149 -7.8201 -7.8201 -7.5880 -7.5880 -7.4447 -7.4447 -5.8706 -5.8706 -5.5993 -5.5993 -3.8490 -3.8490 -3.6242 -3.6242 -0.5894 -0.5894 0.0554 0.0554 0.5553 0.5553 0.8276 0.8276 0.8447 0.8447 1.0144 1.0144 1.0394 1.0394 1.1881 1.1881 1.7519 1.7519 2.0640 2.0640 2.2821 2.2821 2.5657 2.5657 2.6926 2.6926 3.0513 3.0513 3.0700 3.0700 3.2790 3.2790 3.3845 3.3845 3.5226 3.5226 3.6309 3.6309 3.7617 3.7617 3.7854 3.7854 4.0912 4.0912 4.2357 4.2357 4.3949 4.3949 5.8456 5.8456 6.0112 6.0112 6.3392 6.3392 6.4634 6.4634 6.6211 6.6211 6.6648 6.6648 6.8982 6.8982 k = 0.0000 0.2235 0.2148 ( 9282 PWs) bands (ev): -10.1128 -10.1128 -10.0996 -10.0996 -8.4810 -8.4810 -8.3629 -8.3629 -7.9149 -7.9149 -7.8201 -7.8201 -7.5880 -7.5880 -7.4447 -7.4447 -5.8706 -5.8706 -5.5993 -5.5993 -3.8490 -3.8490 -3.6242 -3.6242 -0.5894 -0.5894 0.0554 0.0554 0.5553 0.5553 0.8276 0.8276 0.8447 0.8447 1.0144 1.0144 1.0394 1.0394 1.1881 1.1881 1.7519 1.7519 2.0640 2.0640 2.2821 2.2821 2.5657 2.5657 2.6926 2.6926 3.0513 3.0513 3.0700 3.0700 3.2790 3.2790 3.3845 3.3845 3.5226 3.5226 3.6309 3.6309 3.7617 3.7617 3.7854 3.7854 4.0912 4.0912 4.2357 4.2357 4.3949 4.3949 5.8456 5.8456 6.0112 6.0112 6.3392 6.3392 6.4634 6.4634 6.6211 6.6211 6.6648 6.6648 6.8982 6.8982 k = 0.0000 0.2244 0.2015 ( 9275 PWs) bands (ev): -10.1136 -10.1136 -10.0993 -10.0993 -8.4771 -8.4771 -8.3585 -8.3585 -7.9178 -7.9178 -7.8213 -7.8213 -7.5926 -7.5926 -7.4495 -7.4495 -5.8644 -5.8644 -5.5957 -5.5957 -3.8482 -3.8482 -3.6293 -3.6293 -0.5871 -0.5871 0.0478 0.0478 0.5445 0.5445 0.8229 0.8229 0.8537 0.8537 1.0031 1.0031 1.0473 1.0473 1.2098 1.2098 1.7579 1.7579 2.0694 2.0694 2.2789 2.2789 2.5606 2.5606 2.6848 2.6848 3.0530 3.0530 3.0712 3.0712 3.2770 3.2770 3.3788 3.3788 3.5275 3.5275 3.6280 3.6280 3.7496 3.7496 3.7885 3.7885 4.0945 4.0945 4.2229 4.2229 4.4047 4.4047 5.8486 5.8486 6.0158 6.0158 6.3430 6.3430 6.4672 6.4672 6.6277 6.6277 6.6657 6.6657 6.9016 6.9016 k = 0.0000 0.2253 0.1883 ( 9276 PWs) bands (ev): -10.1144 -10.1144 -10.0994 -10.0994 -8.4702 -8.4702 -8.3521 -8.3521 -7.9222 -7.9222 -7.8245 -7.8245 -7.5997 -7.5997 -7.4566 -7.4566 -5.8539 -5.8539 -5.5907 -5.5907 -3.8480 -3.8480 -3.6365 -3.6365 -0.5827 -0.5827 0.0345 0.0345 0.5299 0.5299 0.8088 0.8088 0.8687 0.8687 1.0005 1.0005 1.0540 1.0540 1.2394 1.2394 1.7685 1.7685 2.0772 2.0772 2.2735 2.2735 2.5518 2.5518 2.6736 2.6736 3.0491 3.0491 3.0777 3.0777 3.2747 3.2747 3.3693 3.3693 3.5345 3.5345 3.6236 3.6236 3.7346 3.7346 3.7890 3.7890 4.1010 4.1010 4.2043 4.2043 4.4181 4.4181 5.8536 5.8536 6.0243 6.0243 6.3493 6.3493 6.4739 6.4739 6.6357 6.6357 6.6687 6.6687 6.9052 6.9052 k = 0.0000 0.2262 0.1750 ( 9284 PWs) bands (ev): -10.1152 -10.1152 -10.0998 -10.0998 -8.4602 -8.4602 -8.3435 -8.3435 -7.9281 -7.9281 -7.8300 -7.8300 -7.6085 -7.6085 -7.4657 -7.4657 -5.8396 -5.8396 -5.5847 -5.5847 -3.8481 -3.8481 -3.6455 -3.6455 -0.5762 -0.5762 0.0162 0.0162 0.5135 0.5135 0.7871 0.7871 0.8843 0.8843 1.0084 1.0084 1.0614 1.0614 1.2737 1.2737 1.7837 1.7837 2.0869 2.0869 2.2663 2.2663 2.5397 2.5397 2.6596 2.6596 3.0409 3.0409 3.0871 3.0871 3.2721 3.2721 3.3572 3.3572 3.5428 3.5428 3.6179 3.6179 3.7191 3.7191 3.7861 3.7861 4.1064 4.1064 4.1864 4.1864 4.4322 4.4322 5.8607 5.8607 6.0359 6.0359 6.3578 6.3578 6.4835 6.4835 6.6447 6.6447 6.6741 6.6741 6.9090 6.9090 k = 0.0000 0.2271 0.1618 ( 9288 PWs) bands (ev): -10.1160 -10.1160 -10.1005 -10.1005 -8.4474 -8.4474 -8.3330 -8.3330 -7.9356 -7.9356 -7.8385 -7.8385 -7.6181 -7.6181 -7.4765 -7.4765 -5.8218 -5.8218 -5.5780 -5.5780 -3.8485 -3.8485 -3.6563 -3.6563 -0.5675 -0.5675 -0.0062 -0.0062 0.4969 0.4969 0.7600 0.7600 0.8983 0.8983 1.0216 1.0216 1.0745 1.0745 1.3106 1.3106 1.8033 1.8033 2.0977 2.0977 2.2575 2.2575 2.5246 2.5246 2.6433 2.6433 3.0290 3.0290 3.0980 3.0980 3.2693 3.2693 3.3436 3.3436 3.5510 3.5510 3.6112 3.6112 3.7050 3.7050 3.7800 3.7800 4.1018 4.1018 4.1790 4.1790 4.4450 4.4450 5.8700 5.8700 6.0496 6.0496 6.3678 6.3678 6.4957 6.4957 6.6547 6.6547 6.6820 6.6820 6.9126 6.9126 k = 0.0000 0.2280 0.1485 ( 9275 PWs) bands (ev): -10.1167 -10.1167 -10.1014 -10.1014 -8.4317 -8.4317 -8.3206 -8.3206 -7.9446 -7.9446 -7.8504 -7.8504 -7.6274 -7.6274 -7.4886 -7.4886 -5.8012 -5.8012 -5.5709 -5.5709 -3.8489 -3.8489 -3.6686 -3.6686 -0.5568 -0.5568 -0.0320 -0.0320 0.4811 0.4811 0.7297 0.7297 0.9109 0.9109 1.0313 1.0313 1.0994 1.0994 1.3486 1.3486 1.8268 1.8268 2.1086 2.1086 2.2476 2.2476 2.5073 2.5073 2.6253 2.6253 3.0131 3.0131 3.1097 3.1097 3.2665 3.2665 3.3302 3.3302 3.5566 3.5566 3.6053 3.6053 3.6937 3.6937 3.7710 3.7710 4.0831 4.0831 4.1868 4.1868 4.4555 4.4555 5.8816 5.8816 6.0641 6.0641 6.3789 6.3789 6.5098 6.5098 6.6658 6.6658 6.6920 6.6920 6.9161 6.9161 k = 0.0000 0.2289 0.1353 ( 9274 PWs) bands (ev): -10.1173 -10.1173 -10.1026 -10.1026 -8.4133 -8.4133 -8.3065 -8.3065 -7.9552 -7.9552 -7.8663 -7.8663 -7.6355 -7.6355 -7.5019 -7.5019 -5.7785 -5.7785 -5.5640 -5.5640 -3.8493 -3.8493 -3.6822 -3.6822 -0.5440 -0.5440 -0.0604 -0.0604 0.4669 0.4669 0.6979 0.6979 0.9225 0.9225 1.0350 1.0350 1.1355 1.1355 1.3863 1.3863 1.8539 1.8539 2.1181 2.1181 2.2374 2.2374 2.4886 2.4886 2.6062 2.6062 2.9925 2.9925 3.1218 3.1218 3.2633 3.2633 3.3188 3.3188 3.5557 3.5557 3.6028 3.6028 3.6867 3.6867 3.7596 3.7596 4.0570 4.0570 4.2032 4.2032 4.4631 4.4631 5.8953 5.8953 6.0782 6.0782 6.3910 6.3910 6.5248 6.5248 6.6786 6.6786 6.7036 6.7036 6.9194 6.9194 k = 0.0000 0.2298 0.1220 ( 9277 PWs) bands (ev): -10.1178 -10.1178 -10.1039 -10.1039 -8.3923 -8.3923 -8.2908 -8.2908 -7.9673 -7.9673 -7.8862 -7.8862 -7.6417 -7.6417 -7.5158 -7.5158 -5.7542 -5.7542 -5.5578 -5.5578 -3.8493 -3.8493 -3.6968 -3.6968 -0.5291 -0.5291 -0.0907 -0.0907 0.4547 0.4547 0.6658 0.6658 0.9335 0.9335 1.0355 1.0355 1.1779 1.1779 1.4229 1.4229 1.8839 1.8839 2.1246 2.1246 2.2276 2.2276 2.4696 2.4696 2.5869 2.5869 2.9672 2.9672 3.1339 3.1339 3.2592 3.2592 3.3114 3.3114 3.5470 3.5470 3.6041 3.6041 3.6853 3.6853 3.7463 3.7463 4.0284 4.0284 4.2234 4.2234 4.4675 4.4675 5.9110 5.9110 6.0909 6.0909 6.4041 6.4041 6.5391 6.5391 6.6933 6.6933 6.7163 6.7163 6.9228 6.9228 k = 0.0000 0.2307 0.1088 ( 9285 PWs) bands (ev): -10.1181 -10.1181 -10.1054 -10.1054 -8.3690 -8.3690 -8.2738 -8.2738 -7.9810 -7.9810 -7.9099 -7.9099 -7.6456 -7.6456 -7.5301 -7.5301 -5.7290 -5.7290 -5.5526 -5.5526 -3.8487 -3.8487 -3.7120 -3.7120 -0.5123 -0.5123 -0.1222 -0.1222 0.4452 0.4452 0.6343 0.6343 0.9440 0.9440 1.0342 1.0342 1.2237 1.2237 1.4570 1.4570 1.9164 1.9164 2.1269 2.1269 2.2184 2.2184 2.4508 2.4508 2.5694 2.5694 2.9371 2.9371 3.1457 3.1457 3.2537 3.2537 3.3091 3.3091 3.5330 3.5330 3.6063 3.6063 3.6897 3.6897 3.7318 3.7318 3.9995 3.9995 4.2453 4.2453 4.4686 4.4686 5.9285 5.9285 6.1009 6.1009 6.4183 6.4183 6.5515 6.5515 6.7095 6.7095 6.7294 6.7294 6.9268 6.9268 k = 0.0000 0.2316 0.0955 ( 9292 PWs) bands (ev): -10.1183 -10.1183 -10.1070 -10.1070 -8.3435 -8.3435 -8.2556 -8.2556 -7.9961 -7.9961 -7.9369 -7.9369 -7.6472 -7.6472 -7.5444 -7.5444 -5.7037 -5.7037 -5.5490 -5.5490 -3.8474 -3.8474 -3.7277 -3.7277 -0.4935 -0.4935 -0.1545 -0.1545 0.4385 0.4385 0.6039 0.6039 0.9540 0.9540 1.0317 1.0317 1.2709 1.2709 1.4874 1.4874 1.9502 1.9502 2.1255 2.1255 2.2092 2.2092 2.4314 2.4314 2.5566 2.5566 2.9030 2.9030 3.1570 3.1570 3.2472 3.2472 3.3121 3.3121 3.5161 3.5161 3.6076 3.6076 3.6978 3.6978 3.7183 3.7183 3.9711 3.9711 4.2679 4.2679 4.4665 4.4665 5.9474 5.9474 6.1075 6.1075 6.4339 6.4339 6.5608 6.5608 6.7260 6.7260 6.7427 6.7427 6.9324 6.9324 k = 0.0000 0.2325 0.0823 ( 9292 PWs) bands (ev): -10.1183 -10.1183 -10.1086 -10.1086 -8.3161 -8.3161 -8.2365 -8.2365 -8.0124 -8.0124 -7.9665 -7.9665 -7.6465 -7.6465 -7.5584 -7.5584 -5.6788 -5.6788 -5.5473 -5.5473 -3.8449 -3.8449 -3.7433 -3.7433 -0.4728 -0.4728 -0.1872 -0.1872 0.4349 0.4349 0.5752 0.5752 0.9635 0.9635 1.0283 1.0283 1.3182 1.3182 1.5126 1.5126 1.9839 1.9839 2.1225 2.1225 2.1988 2.1988 2.4096 2.4096 2.5521 2.5521 2.8657 2.8657 3.1676 3.1676 3.2404 3.2404 3.3195 3.3195 3.4976 3.4976 3.6083 3.6083 3.6948 3.6948 3.7198 3.7198 3.9435 3.9435 4.2906 4.2906 4.4612 4.4612 5.9673 5.9673 6.1102 6.1102 6.4508 6.4508 6.5664 6.5664 6.7409 6.7409 6.7556 6.7556 6.9407 6.9407 k = 0.0000 0.2334 0.0690 ( 9299 PWs) bands (ev): -10.1182 -10.1182 -10.1102 -10.1102 -8.2872 -8.2872 -8.2172 -8.2172 -8.0298 -8.0298 -7.9976 -7.9976 -7.6439 -7.6439 -7.5719 -7.5719 -5.6549 -5.6549 -5.5481 -5.5481 -3.8412 -3.8412 -3.7587 -3.7587 -0.4504 -0.4504 -0.2198 -0.2198 0.4346 0.4346 0.5484 0.5484 0.9724 0.9724 1.0243 1.0243 1.3644 1.3644 1.5308 1.5308 2.0152 2.0152 2.1208 2.1208 2.1879 2.1879 2.3835 2.3835 2.5582 2.5582 2.8261 2.8261 3.1774 3.1774 3.2339 3.2339 3.3305 3.3305 3.4780 3.4780 3.6094 3.6094 3.6804 3.6804 3.7356 3.7356 3.9169 3.9169 4.3132 4.3132 4.4530 4.4530 5.9878 5.9878 6.1086 6.1086 6.4687 6.4687 6.5681 6.5681 6.7531 6.7531 6.7670 6.7670 6.9531 6.9531 k = 0.0000 0.2343 0.0558 ( 9297 PWs) bands (ev): -10.1178 -10.1178 -10.1117 -10.1117 -8.2571 -8.2571 -8.1982 -8.1982 -8.0478 -8.0478 -8.0291 -8.0291 -7.6395 -7.6395 -7.5848 -7.5848 -5.6326 -5.6326 -5.5514 -5.5514 -3.8361 -3.8361 -3.7734 -3.7734 -0.4262 -0.4262 -0.2521 -0.2521 0.4376 0.4376 0.5239 0.5239 0.9807 0.9807 1.0197 1.0197 1.4082 1.4082 1.5406 1.5406 2.0410 2.0410 2.1212 2.1212 2.1813 2.1813 2.3529 2.3529 2.5746 2.5746 2.7853 2.7853 3.1863 3.1863 3.2275 3.2275 3.3443 3.3443 3.4579 3.4579 3.6116 3.6116 3.6655 3.6655 3.7546 3.7546 3.8913 3.8913 4.3353 4.3353 4.4421 4.4421 6.0083 6.0083 6.1029 6.1029 6.4870 6.4870 6.5658 6.5658 6.7628 6.7628 6.7753 6.7753 6.9699 6.9699 k = 0.0000 0.2352 0.0425 ( 9293 PWs) bands (ev): -10.1172 -10.1172 -10.1131 -10.1131 -8.2269 -8.2269 -8.1813 -8.1813 -8.0656 -8.0656 -8.0590 -8.0590 -7.6336 -7.6336 -7.5967 -7.5967 -5.6123 -5.6123 -5.5577 -5.5577 -3.8294 -3.8294 -3.7873 -3.7873 -0.4004 -0.4004 -0.2838 -0.2838 0.4440 0.4440 0.5020 0.5020 0.9885 0.9885 1.0145 1.0145 1.4483 1.4483 1.5408 1.5408 2.0601 2.0601 2.1169 2.1169 2.1895 2.1895 2.3189 2.3189 2.5994 2.5994 2.7443 2.7443 3.1944 3.1944 3.2213 3.2213 3.3604 3.3604 3.4376 3.4376 3.6155 3.6155 3.6518 3.6518 3.7752 3.7752 3.8665 3.8665 4.3566 4.3566 4.4288 4.4288 6.0285 6.0285 6.0935 6.0935 6.5051 6.5051 6.5598 6.5598 6.7703 6.7703 6.7798 6.7798 6.9905 6.9905 k = 0.0000 0.2361 0.0293 ( 9285 PWs) bands (ev): -10.1165 -10.1165 -10.1144 -10.1144 -8.1984 -8.1984 -8.1711 -8.1711 -8.0825 -8.0825 -8.0813 -8.0813 -7.6263 -7.6263 -7.6077 -7.6077 -5.5944 -5.5944 -5.5670 -5.5670 -3.8212 -3.8212 -3.8000 -3.8000 -0.3731 -0.3731 -0.3147 -0.3147 0.4537 0.4537 0.4829 0.4829 0.9958 0.9958 1.0088 1.0088 1.4832 1.4832 1.5308 1.5308 2.0754 2.0754 2.1049 2.1049 2.2141 2.2141 2.2831 2.2831 2.6304 2.6304 2.7041 2.7041 3.2018 3.2018 3.2151 3.2151 3.3783 3.3783 3.4172 3.4172 3.6214 3.6214 3.6396 3.6396 3.7968 3.7968 3.8425 3.8425 4.3769 4.3769 4.4133 4.4133 6.0477 6.0477 6.0808 6.0808 6.5222 6.5222 6.5502 6.5502 6.7758 6.7758 6.7810 6.7810 7.0134 7.0134 k = 0.0000 0.2370 0.0160 ( 9280 PWs) bands (ev): -10.1155 -10.1155 -10.1155 -10.1155 -8.1766 -8.1766 -8.1766 -8.1766 -8.0901 -8.0901 -8.0901 -8.0901 -7.6176 -7.6176 -7.6176 -7.6176 -5.5792 -5.5792 -5.5792 -5.5792 -3.8113 -3.8113 -3.8113 -3.8113 -0.3445 -0.3445 -0.3445 -0.3445 0.4667 0.4667 0.4667 0.4667 1.0025 1.0025 1.0025 1.0025 1.5112 1.5112 1.5112 1.5112 2.0902 2.0902 2.0902 2.0902 2.2472 2.2472 2.2472 2.2472 2.6657 2.6657 2.6657 2.6657 3.2087 3.2087 3.2087 3.2087 3.3973 3.3973 3.3973 3.3973 3.6295 3.6295 3.6295 3.6295 3.8193 3.8193 3.8193 3.8193 4.3959 4.3959 4.3959 4.3959 6.0653 6.0653 6.0653 6.0653 6.5375 6.5375 6.5375 6.5375 6.7795 6.7795 6.7795 6.7795 7.0373 7.0373 k = 0.0000 0.2370 0.0160 ( 9280 PWs) bands (ev): -10.1155 -10.1155 -10.1155 -10.1155 -8.1766 -8.1766 -8.1766 -8.1766 -8.0901 -8.0901 -8.0901 -8.0901 -7.6176 -7.6176 -7.6176 -7.6176 -5.5792 -5.5792 -5.5792 -5.5792 -3.8113 -3.8113 -3.8113 -3.8113 -0.3445 -0.3445 -0.3445 -0.3445 0.4667 0.4667 0.4667 0.4667 1.0025 1.0025 1.0025 1.0025 1.5112 1.5112 1.5112 1.5112 2.0902 2.0902 2.0902 2.0902 2.2472 2.2472 2.2472 2.2472 2.6657 2.6657 2.6657 2.6657 3.2087 3.2087 3.2087 3.2087 3.3973 3.3973 3.3973 3.3973 3.6295 3.6295 3.6295 3.6295 3.8193 3.8193 3.8193 3.8193 4.3959 4.3959 4.3959 4.3959 6.0653 6.0653 6.0653 6.0653 6.5375 6.5375 6.5375 6.5375 6.7795 6.7795 6.7795 6.7795 7.0373 7.0373 k = 0.0132 0.2370 0.0160 ( 9298 PWs) bands (ev): -10.1146 -10.1146 -10.1145 -10.1145 -8.1778 -8.1778 -8.1775 -8.1775 -8.0886 -8.0886 -8.0886 -8.0886 -7.6174 -7.6174 -7.6173 -7.6173 -5.5797 -5.5797 -5.5797 -5.5797 -3.8129 -3.8129 -3.8122 -3.8122 -0.3437 -0.3437 -0.3435 -0.3435 0.4665 0.4665 0.4668 0.4668 0.9913 0.9913 0.9975 0.9975 1.4961 1.4961 1.5291 1.5291 2.0855 2.0855 2.0884 2.0884 2.2395 2.2395 2.2592 2.2592 2.6574 2.6574 2.6712 2.6712 3.2001 3.2001 3.2071 3.2071 3.3895 3.3895 3.4048 3.4048 3.6270 3.6270 3.6407 3.6407 3.8143 3.8143 3.8298 3.8298 4.3937 4.3937 4.3959 4.3959 6.0611 6.0611 6.0662 6.0662 6.5368 6.5368 6.5421 6.5421 6.7758 6.7758 6.7803 6.7803 7.0374 7.0374 k = 0.0263 0.2370 0.0160 ( 9298 PWs) bands (ev): -10.1119 -10.1119 -10.1117 -10.1117 -8.1809 -8.1809 -8.1802 -8.1802 -8.0843 -8.0843 -8.0842 -8.0842 -7.6167 -7.6167 -7.6165 -7.6165 -5.5809 -5.5809 -5.5809 -5.5809 -3.8170 -3.8170 -3.8156 -3.8156 -0.3412 -0.3412 -0.3409 -0.3409 0.4662 0.4662 0.4668 0.4668 0.9657 0.9657 0.9765 0.9765 1.4840 1.4840 1.5475 1.5475 2.0747 2.0747 2.0809 2.0809 2.2360 2.2360 2.2741 2.2741 2.6466 2.6466 2.6744 2.6744 3.1836 3.1836 3.1937 3.1937 3.3809 3.3809 3.4142 3.4142 3.6337 3.6337 3.6554 3.6554 3.8179 3.8179 3.8442 3.8442 4.3893 4.3893 4.3938 4.3938 6.0541 6.0541 6.0637 6.0637 6.5400 6.5400 6.5503 6.5503 6.7694 6.7694 6.7776 6.7776 7.0431 7.0431 k = 0.0395 0.2370 0.0160 ( 9292 PWs) bands (ev): -10.1073 -10.1073 -10.1070 -10.1070 -8.1853 -8.1853 -8.1844 -8.1844 -8.0775 -8.0775 -8.0774 -8.0774 -7.6155 -7.6155 -7.6153 -7.6153 -5.5829 -5.5829 -5.5829 -5.5829 -3.8235 -3.8235 -3.8215 -3.8215 -0.3370 -0.3370 -0.3365 -0.3365 0.4657 0.4657 0.4666 0.4666 0.9284 0.9284 0.9416 0.9416 1.4734 1.4734 1.5631 1.5631 2.0590 2.0590 2.0688 2.0688 2.2353 2.2353 2.2899 2.2899 2.6347 2.6347 2.6771 2.6771 3.1609 3.1609 3.1695 3.1695 3.3726 3.3726 3.4272 3.4272 3.6467 3.6467 3.6661 3.6661 3.8337 3.8337 3.8617 3.8617 4.3830 4.3830 4.3897 4.3897 6.0452 6.0452 6.0581 6.0581 6.5464 6.5464 6.5614 6.5614 6.7603 6.7603 6.7707 6.7707 7.0564 7.0564 k = 0.0526 0.2370 0.0160 ( 9288 PWs) bands (ev): -10.1009 -10.1009 -10.1004 -10.1004 -8.1908 -8.1908 -8.1896 -8.1896 -8.0687 -8.0687 -8.0687 -8.0687 -7.6139 -7.6139 -7.6136 -7.6136 -5.5857 -5.5857 -5.5856 -5.5856 -3.8325 -3.8325 -3.8299 -3.8299 -0.3311 -0.3311 -0.3304 -0.3304 0.4648 0.4648 0.4660 0.4660 0.8824 0.8824 0.8961 0.8961 1.4619 1.4619 1.5724 1.5724 2.0404 2.0404 2.0524 2.0524 2.2356 2.2356 2.3046 2.3046 2.6239 2.6239 2.6808 2.6808 3.1336 3.1336 3.1375 3.1375 3.3657 3.3657 3.4436 3.4436 3.6623 3.6623 3.6689 3.6689 3.8619 3.8619 3.8819 3.8819 4.3750 4.3750 4.3839 4.3839 6.0354 6.0354 6.0502 6.0502 6.5548 6.5548 6.5741 6.5741 6.7491 6.7491 6.7597 6.7597 7.0790 7.0790 k = 0.0658 0.2370 0.0160 ( 9298 PWs) bands (ev): -10.0926 -10.0926 -10.0920 -10.0920 -8.1971 -8.1971 -8.1956 -8.1956 -8.0585 -8.0585 -8.0584 -8.0584 -7.6118 -7.6118 -7.6114 -7.6114 -5.5892 -5.5892 -5.5891 -5.5891 -3.8440 -3.8440 -3.8408 -3.8408 -0.3235 -0.3235 -0.3227 -0.3227 0.4633 0.4633 0.4650 0.4650 0.8304 0.8304 0.8431 0.8431 1.4474 1.4474 1.5727 1.5727 2.0204 2.0204 2.0317 2.0317 2.2353 2.2353 2.3163 2.3163 2.6159 2.6159 2.6869 2.6869 3.1011 3.1011 3.1036 3.1036 3.3601 3.3601 3.4621 3.4621 3.6648 3.6648 3.6776 3.6776 3.8982 3.8982 3.9042 3.9042 4.3656 4.3656 4.3768 4.3768 6.0260 6.0260 6.0413 6.0413 6.5630 6.5630 6.5872 6.5872 6.7378 6.7378 6.7461 6.7461 7.1113 7.1113 k = 0.0789 0.2370 0.0160 ( 9296 PWs) bands (ev): -10.0824 -10.0824 -10.0817 -10.0817 -8.2038 -8.2038 -8.2021 -8.2021 -8.0469 -8.0469 -8.0467 -8.0467 -7.6093 -7.6093 -7.6088 -7.6088 -5.5933 -5.5933 -5.5932 -5.5932 -3.8580 -3.8580 -3.8542 -3.8542 -0.3142 -0.3142 -0.3133 -0.3133 0.4608 0.4608 0.4632 0.4632 0.7744 0.7744 0.7855 0.7855 1.4287 1.4287 1.5625 1.5625 1.9998 1.9998 2.0068 2.0068 2.2341 2.2341 2.3240 2.3240 2.6118 2.6118 2.6950 2.6950 3.0633 3.0633 3.0734 3.0734 3.3550 3.3550 3.4814 3.4814 3.6565 3.6565 3.6912 3.6912 3.9272 3.9272 3.9374 3.9374 4.3552 4.3552 4.3687 4.3687 6.0182 6.0182 6.0325 6.0325 6.5681 6.5681 6.5982 6.5982 6.7299 6.7299 6.7332 6.7332 7.1527 7.1527 k = 0.0921 0.2370 0.0160 ( 9296 PWs) bands (ev): -10.0705 -10.0705 -10.0697 -10.0697 -8.2109 -8.2109 -8.2090 -8.2090 -8.0342 -8.0342 -8.0339 -8.0339 -7.6063 -7.6063 -7.6057 -7.6057 -5.5979 -5.5979 -5.5978 -5.5978 -3.8745 -3.8745 -3.8701 -3.8701 -0.3033 -0.3033 -0.3022 -0.3022 0.4567 0.4567 0.4601 0.4601 0.7165 0.7165 0.7257 0.7257 1.4052 1.4052 1.5416 1.5416 1.9776 1.9776 1.9787 1.9787 2.2319 2.2319 2.3273 2.3273 2.6106 2.6106 2.7030 2.7030 3.0265 3.0265 3.0462 3.0462 3.3496 3.3496 3.5004 3.5004 3.6460 3.6460 3.7027 3.7027 3.9491 3.9491 3.9755 3.9755 4.3441 4.3441 4.3600 4.3600 6.0133 6.0133 6.0255 6.0255 6.5668 6.5668 6.6036 6.6036 6.7260 6.7260 6.7295 6.7295 7.2019 7.2019 k = 0.1053 0.2370 0.0160 ( 9286 PWs) bands (ev): -10.0567 -10.0567 -10.0558 -10.0558 -8.2185 -8.2185 -8.2164 -8.2164 -8.0206 -8.0206 -8.0202 -8.0202 -7.6030 -7.6030 -7.6023 -7.6023 -5.6029 -5.6029 -5.6028 -5.6028 -3.8934 -3.8934 -3.8885 -3.8885 -0.2907 -0.2907 -0.2896 -0.2896 0.4502 0.4502 0.4549 0.4549 0.6584 0.6584 0.6657 0.6657 1.3772 1.3772 1.5113 1.5113 1.9446 1.9446 1.9568 1.9568 2.2293 2.2293 2.3271 2.3271 2.6099 2.6099 2.7073 2.7073 2.9929 2.9929 3.0258 3.0258 3.3430 3.3430 3.5182 3.5182 3.6343 3.6343 3.7125 3.7125 3.9680 3.9680 4.0094 4.0094 4.3326 4.3326 4.3511 4.3511 6.0125 6.0125 6.0215 6.0215 6.5583 6.5583 6.6007 6.6007 6.7286 6.7286 6.7387 6.7387 7.2575 7.2575 k = 0.1184 0.2370 0.0160 ( 9288 PWs) bands (ev): -10.0412 -10.0412 -10.0401 -10.0401 -8.2264 -8.2264 -8.2241 -8.2241 -8.0060 -8.0060 -8.0056 -8.0056 -7.5993 -7.5993 -7.5985 -7.5985 -5.6083 -5.6083 -5.6082 -5.6082 -3.9148 -3.9148 -3.9094 -3.9094 -0.2765 -0.2765 -0.2755 -0.2755 0.4394 0.4394 0.4460 0.4460 0.6024 0.6024 0.6082 0.6082 1.3454 1.3454 1.4733 1.4733 1.9085 1.9085 1.9334 1.9334 2.2267 2.2267 2.3241 2.3241 2.6066 2.6066 2.7036 2.7036 2.9640 2.9640 3.0158 3.0158 3.3347 3.3347 3.5341 3.5341 3.6221 3.6221 3.7214 3.7214 3.9820 3.9820 4.0371 4.0371 4.3207 4.3207 4.3420 4.3420 6.0171 6.0171 6.0220 6.0220 6.5449 6.5449 6.5907 6.5907 6.7412 6.7412 6.7564 6.7564 7.3179 7.3179 k = 0.1316 0.2370 0.0160 ( 9270 PWs) bands (ev): -10.0238 -10.0238 -10.0227 -10.0227 -8.2349 -8.2349 -8.2323 -8.2323 -7.9907 -7.9907 -7.9901 -7.9901 -7.5952 -7.5952 -7.5944 -7.5944 -5.6138 -5.6138 -5.6137 -5.6137 -3.9386 -3.9386 -3.9327 -3.9327 -0.2608 -0.2608 -0.2599 -0.2599 0.4210 0.4210 0.4304 0.4304 0.5518 0.5518 0.5568 0.5568 1.3107 1.3107 1.4300 1.4300 1.8700 1.8700 1.9083 1.9083 2.2242 2.2242 2.3192 2.3192 2.5983 2.5983 2.6898 2.6898 2.9411 2.9411 3.0174 3.0174 3.3244 3.3244 3.5471 3.5471 3.6096 3.6096 3.7300 3.7300 3.9901 3.9901 4.0574 4.0574 4.3083 4.3083 4.3326 4.3326 6.0278 6.0278 6.0278 6.0278 6.5301 6.5301 6.5778 6.5778 6.7610 6.7610 6.7806 6.7806 7.3813 7.3813 k = 0.1447 0.2370 0.0160 ( 9276 PWs) bands (ev): -10.0048 -10.0048 -10.0035 -10.0035 -8.2439 -8.2439 -8.2411 -8.2411 -7.9746 -7.9746 -7.9740 -7.9740 -7.5909 -7.5909 -7.5900 -7.5900 -5.6193 -5.6193 -5.6192 -5.6192 -3.9648 -3.9648 -3.9585 -3.9585 -0.2436 -0.2436 -0.2431 -0.2431 0.3910 0.3910 0.4036 0.4036 0.5114 0.5114 0.5159 0.5159 1.2743 1.2743 1.3835 1.3835 1.8300 1.8300 1.8813 1.8813 2.2218 2.2218 2.3129 2.3129 2.5839 2.5839 2.6670 2.6670 2.9239 2.9239 3.0285 3.0285 3.3120 3.3120 3.5563 3.5563 3.5970 3.5970 3.7391 3.7391 3.9919 3.9919 4.0697 4.0697 4.2949 4.2949 4.3225 4.3225 6.0396 6.0396 6.0453 6.0453 6.5169 6.5169 6.5656 6.5656 6.7853 6.7853 6.8092 6.8092 7.4462 7.4462 k = 0.1579 0.2370 0.0160 ( 9290 PWs) bands (ev): -9.9840 -9.9840 -9.9825 -9.9825 -8.2535 -8.2535 -8.2506 -8.2506 -7.9579 -7.9579 -7.9572 -7.9572 -7.5862 -7.5862 -7.5853 -7.5853 -5.6247 -5.6247 -5.6246 -5.6246 -3.9933 -3.9933 -3.9867 -3.9867 -0.2250 -0.2250 -0.2249 -0.2249 0.3487 0.3487 0.3641 0.3641 0.4828 0.4828 0.4862 0.4862 1.2374 1.2374 1.3360 1.3360 1.7895 1.7895 1.8527 1.8527 2.2192 2.2192 2.3051 2.3051 2.5641 2.5641 2.6380 2.6380 2.9110 2.9110 3.0448 3.0448 3.2977 3.2977 3.5609 3.5609 3.5842 3.5842 3.7488 3.7488 3.9880 3.9880 4.0742 4.0742 4.2801 4.2801 4.3110 4.3110 6.0576 6.0576 6.0698 6.0698 6.5080 6.5080 6.5568 6.5568 6.8128 6.8128 6.8414 6.8414 7.5106 7.5106 k = 0.1711 0.2370 0.0160 ( 9286 PWs) bands (ev): -9.9615 -9.9615 -9.9599 -9.9599 -8.2640 -8.2640 -8.2608 -8.2608 -7.9406 -7.9406 -7.9398 -7.9398 -7.5814 -7.5814 -7.5804 -7.5804 -5.6298 -5.6298 -5.6297 -5.6297 -4.0242 -4.0242 -4.0173 -4.0173 -0.2060 -0.2060 -0.2049 -0.2049 0.2987 0.2987 0.3171 0.3171 0.4608 0.4608 0.4627 0.4627 1.2012 1.2012 1.2894 1.2894 1.7489 1.7489 1.8227 1.8227 2.2161 2.2161 2.2958 2.2958 2.5408 2.5408 2.6062 2.6062 2.9005 2.9005 3.0621 3.0621 3.2821 3.2821 3.5604 3.5604 3.5712 3.5712 3.7583 3.7583 3.9795 3.9795 4.0715 4.0715 4.2633 4.2633 4.2974 4.2974 6.0815 6.0815 6.1009 6.1009 6.5051 6.5051 6.5531 6.5531 6.8429 6.8429 6.8762 6.8762 7.5726 7.5726 k = 0.1842 0.2370 0.0160 ( 9276 PWs) bands (ev): -9.9373 -9.9373 -9.9356 -9.9356 -8.2753 -8.2753 -8.2719 -8.2719 -7.9227 -7.9227 -7.9218 -7.9218 -7.5763 -7.5763 -7.5752 -7.5752 -5.6344 -5.6344 -5.6343 -5.6343 -4.0574 -4.0574 -4.0501 -4.0501 -0.1864 -0.1864 -0.1838 -0.1838 0.2457 0.2457 0.2678 0.2678 0.4400 0.4400 0.4408 0.4408 1.1671 1.1671 1.2453 1.2453 1.7088 1.7088 1.7916 1.7916 2.2122 2.2122 2.2848 2.2848 2.5160 2.5160 2.5738 2.5738 2.8904 2.8904 3.0765 3.0765 3.2660 3.2660 3.5547 3.5547 3.5581 3.5581 3.7663 3.7663 3.9679 3.9679 4.0624 4.0624 4.2443 4.2443 4.2811 4.2811 6.1105 6.1105 6.1382 6.1382 6.5098 6.5098 6.5556 6.5556 6.8750 6.8750 6.9134 6.9134 7.6303 7.6303 k = 0.1974 0.2370 0.0160 ( 9268 PWs) bands (ev): -9.9115 -9.9115 -9.9097 -9.9097 -8.2876 -8.2876 -8.2841 -8.2841 -7.9044 -7.9044 -7.9034 -7.9034 -7.5710 -7.5710 -7.5699 -7.5699 -5.6383 -5.6383 -5.6382 -5.6382 -4.0927 -4.0927 -4.0853 -4.0853 -0.1668 -0.1668 -0.1616 -0.1616 0.1924 0.1924 0.2195 0.2195 0.4175 0.4175 0.4176 0.4176 1.1361 1.1361 1.2050 1.2050 1.6697 1.6697 1.7598 1.7598 2.2071 2.2071 2.2721 2.2721 2.4915 2.4915 2.5426 2.5426 2.8792 2.8792 3.0849 3.0849 3.2507 3.2507 3.5438 3.5438 3.5450 3.5450 3.7710 3.7710 3.9552 3.9552 4.0479 4.0479 4.2233 4.2233 4.2620 4.2620 6.1437 6.1437 6.1807 6.1807 6.5232 6.5232 6.5653 6.5653 6.9090 6.9090 6.9526 6.9526 7.6823 7.6823 k = 0.2105 0.2370 0.0160 ( 9250 PWs) bands (ev): -9.8841 -9.8841 -9.8822 -9.8822 -8.3011 -8.3011 -8.2973 -8.2973 -7.8857 -7.8857 -7.8847 -7.8847 -7.5657 -7.5657 -7.5645 -7.5645 -5.6413 -5.6413 -5.6412 -5.6412 -4.1302 -4.1302 -4.1225 -4.1225 -0.1482 -0.1482 -0.1389 -0.1389 0.1402 0.1402 0.1742 0.1742 0.3917 0.3917 0.3922 0.3922 1.1090 1.1090 1.1696 1.1696 1.6317 1.6317 1.7276 1.7276 2.2006 2.2006 2.2575 2.2575 2.4685 2.4685 2.5137 2.5137 2.8662 2.8662 3.0848 3.0848 3.2370 3.2370 3.5275 3.5275 3.5321 3.5321 3.7705 3.7705 3.9431 3.9431 4.0288 4.0288 4.2010 4.2010 4.2401 4.2401 6.1800 6.1800 6.2273 6.2273 6.5460 6.5460 6.5828 6.5828 6.9446 6.9446 6.9934 6.9934 7.7275 7.7275 k = 0.2237 0.2370 0.0160 ( 9250 PWs) bands (ev): -9.8552 -9.8552 -9.8531 -9.8531 -8.3158 -8.3158 -8.3119 -8.3119 -7.8667 -7.8667 -7.8656 -7.8656 -7.5602 -7.5602 -7.5590 -7.5590 -5.6433 -5.6433 -5.6431 -5.6431 -4.1696 -4.1696 -4.1618 -4.1618 -0.1322 -0.1322 -0.1161 -0.1161 0.0903 0.0903 0.1340 0.1340 0.3630 0.3630 0.3634 0.3634 1.0866 1.0866 1.1399 1.1399 1.5951 1.5951 1.6954 1.6954 2.1925 2.1925 2.2413 2.2413 2.4477 2.4477 2.4879 2.4879 2.8507 2.8507 3.0754 3.0754 3.2245 3.2245 3.5057 3.5057 3.5200 3.5200 3.7638 3.7638 3.9326 3.9326 4.0061 4.0061 4.1781 4.1781 4.2154 4.2154 6.2187 6.2187 6.2768 6.2768 6.5780 6.5780 6.6083 6.6083 6.9817 6.9817 7.0358 7.0358 7.7661 7.7661 k = 0.2368 0.2370 0.0160 ( 9246 PWs) bands (ev): -9.8247 -9.8247 -9.8226 -9.8226 -8.3320 -8.3320 -8.3278 -8.3278 -7.8474 -7.8474 -7.8463 -7.8463 -7.5547 -7.5547 -7.5535 -7.5535 -5.6440 -5.6440 -5.6438 -5.6438 -4.2110 -4.2110 -4.2031 -4.2031 -0.1217 -0.1217 -0.0949 -0.0949 0.0439 0.0439 0.1017 0.1017 0.3315 0.3315 0.3317 0.3317 1.0689 1.0689 1.1161 1.1161 1.5601 1.5601 1.6636 1.6636 2.1825 2.1825 2.2239 2.2239 2.4294 2.4294 2.4657 2.4657 2.8328 2.8328 3.0578 3.0578 3.2117 3.2117 3.4783 3.4783 3.5090 3.5090 3.7511 3.7511 3.9235 3.9235 3.9809 3.9809 4.1560 4.1560 4.1882 4.1882 6.2593 6.2593 6.3283 6.3283 6.6185 6.6185 6.6416 6.6416 7.0201 7.0201 7.0794 7.0794 7.7986 7.7986 k = 0.2500 0.2370 0.0160 ( 9248 PWs) bands (ev): -9.7928 -9.7928 -9.7905 -9.7905 -8.3496 -8.3496 -8.3453 -8.3453 -7.8280 -7.8280 -7.8268 -7.8268 -7.5492 -7.5492 -7.5480 -7.5480 -5.6433 -5.6433 -5.6430 -5.6430 -4.2542 -4.2542 -4.2462 -4.2462 -0.1205 -0.1205 -0.0800 -0.0800 0.0053 0.0053 0.0806 0.0806 0.2974 0.2974 0.2991 0.2991 1.0559 1.0559 1.0980 1.0980 1.5270 1.5270 1.6324 1.6324 2.1707 2.1707 2.2056 2.2056 2.4133 2.4133 2.4474 2.4474 2.8126 2.8126 3.0340 3.0340 3.1960 3.1960 3.4455 3.4455 3.4993 3.4993 3.7335 3.7335 3.9144 3.9144 3.9542 3.9542 4.1356 4.1356 4.1589 4.1589 6.3017 6.3017 6.3809 6.3809 6.6666 6.6666 6.6822 6.6822 7.0596 7.0596 7.1240 7.1240 7.8261 7.8261 k = 0.2632 0.2370 0.0160 ( 9246 PWs) bands (ev): -9.7595 -9.7595 -9.7571 -9.7571 -8.3688 -8.3688 -8.3643 -8.3643 -7.8086 -7.8086 -7.8073 -7.8073 -7.5437 -7.5437 -7.5425 -7.5425 -5.6409 -5.6409 -5.6406 -5.6406 -4.2990 -4.2990 -4.2910 -4.2910 -0.1312 -0.1312 -0.0857 -0.0857 -0.0125 -0.0125 0.0716 0.0716 0.2635 0.2635 0.2670 0.2670 1.0471 1.0471 1.0853 1.0853 1.4959 1.4959 1.6024 1.6024 2.1569 2.1569 2.1869 2.1869 2.3995 2.3995 2.4331 2.4331 2.7904 2.7904 3.0060 3.0060 3.1758 3.1758 3.4074 3.4074 3.4909 3.4909 3.7122 3.7122 3.9039 3.9039 3.9269 3.9269 4.1182 4.1182 4.1279 4.1279 6.3458 6.3458 6.4341 6.4341 6.7205 6.7205 6.7293 6.7293 7.1000 7.1000 7.1694 7.1694 7.8495 7.8495 k = 0.2763 0.2370 0.0160 ( 9238 PWs) bands (ev): -9.7248 -9.7248 -9.7223 -9.7223 -8.3896 -8.3896 -8.3850 -8.3850 -7.7892 -7.7892 -7.7879 -7.7879 -7.5383 -7.5383 -7.5371 -7.5371 -5.6368 -5.6368 -5.6364 -5.6364 -4.3453 -4.3453 -4.3374 -4.3374 -0.1519 -0.1519 -0.1155 -0.1155 -0.0084 -0.0084 0.0695 0.0695 0.2339 0.2339 0.2386 0.2386 1.0419 1.0419 1.0772 1.0772 1.4671 1.4671 1.5738 1.5738 2.1410 2.1410 2.1678 2.1678 2.3876 2.3876 2.4227 2.4227 2.7667 2.7667 2.9754 2.9754 3.1504 3.1504 3.3646 3.3646 3.4833 3.4833 3.6882 3.6882 3.8913 3.8913 3.8999 3.8999 4.0956 4.0956 4.1042 4.1042 6.3917 6.3917 6.4876 6.4876 6.7789 6.7789 6.7815 6.7815 7.1411 7.1411 7.2151 7.2151 7.8698 7.8698 k = 0.2895 0.2370 0.0160 ( 9234 PWs) bands (ev): -9.6888 -9.6888 -9.6862 -9.6862 -8.4122 -8.4122 -8.4075 -8.4075 -7.7700 -7.7700 -7.7686 -7.7686 -7.5331 -7.5331 -7.5318 -7.5318 -5.6307 -5.6307 -5.6302 -5.6302 -4.3930 -4.3930 -4.3851 -4.3851 -0.1786 -0.1786 -0.1519 -0.1519 -0.0040 -0.0040 0.0636 0.0636 0.2162 0.2162 0.2187 0.2187 1.0394 1.0394 1.0728 1.0728 1.4411 1.4411 1.5471 1.5471 2.1232 2.1232 2.1484 2.1484 2.3774 2.3774 2.4160 2.4160 2.7420 2.7420 2.9432 2.9432 3.1198 3.1198 3.3180 3.3180 3.4759 3.4759 3.6617 3.6617 3.8738 3.8738 3.8765 3.8765 4.0627 4.0627 4.0938 4.0938 6.4392 6.4392 6.5412 6.5412 6.8375 6.8375 6.8402 6.8402 7.1825 7.1825 7.2610 7.2610 7.8877 7.8877 k = 0.3026 0.2370 0.0160 ( 9248 PWs) bands (ev): -9.6516 -9.6516 -9.6488 -9.6488 -8.4366 -8.4366 -8.4317 -8.4317 -7.7510 -7.7510 -7.7496 -7.7496 -7.5280 -7.5280 -7.5267 -7.5267 -5.6225 -5.6225 -5.6219 -5.6219 -4.4418 -4.4418 -4.4341 -4.4341 -0.2078 -0.2078 -0.1886 -0.1886 -0.0100 -0.0100 0.0446 0.0446 0.2125 0.2125 0.2170 0.2170 1.0386 1.0386 1.0713 1.0713 1.4184 1.4184 1.5229 1.5229 2.1034 2.1034 2.1286 2.1286 2.3689 2.3689 2.4126 2.4126 2.7170 2.7170 2.9106 2.9106 3.0847 3.0847 3.2685 3.2685 3.4681 3.4681 3.6330 3.6330 3.8486 3.8486 3.8602 3.8602 4.0302 4.0302 4.0867 4.0867 6.4882 6.4882 6.5949 6.5949 6.8961 6.8961 6.9031 6.9031 7.2240 7.2240 7.3066 7.3066 7.9039 7.9039 k = 0.3158 0.2370 0.0160 ( 9254 PWs) bands (ev): -9.6132 -9.6132 -9.6103 -9.6103 -8.4628 -8.4628 -8.4578 -8.4578 -7.7324 -7.7324 -7.7309 -7.7309 -7.5232 -7.5232 -7.5219 -7.5219 -5.6121 -5.6121 -5.6114 -5.6114 -4.4917 -4.4917 -4.4841 -4.4841 -0.2373 -0.2373 -0.2237 -0.2237 -0.0287 -0.0287 0.0132 0.0132 0.2212 0.2212 0.2341 0.2341 1.0385 1.0385 1.0716 1.0716 1.3997 1.3997 1.5015 1.5015 2.0819 2.0819 2.1080 2.1080 2.3618 2.3618 2.4120 2.4120 2.6924 2.6924 2.8785 2.8785 3.0457 3.0457 3.2171 3.2171 3.4592 3.4592 3.6020 3.6020 3.8240 3.8240 3.8431 3.8431 3.9993 3.9993 4.0824 4.0824 6.5384 6.5384 6.6484 6.6484 6.9559 6.9559 6.9665 6.9665 7.2651 7.2651 7.3515 7.3515 7.9188 7.9188 k = 0.3289 0.2370 0.0160 ( 9256 PWs) bands (ev): -9.5738 -9.5738 -9.5707 -9.5707 -8.4907 -8.4907 -8.4857 -8.4857 -7.7142 -7.7142 -7.7127 -7.7127 -7.5186 -7.5186 -7.5173 -7.5173 -5.5994 -5.5994 -5.5985 -5.5985 -4.5423 -4.5423 -4.5349 -4.5349 -0.2662 -0.2662 -0.2569 -0.2569 -0.0569 -0.0569 -0.0245 -0.0245 0.2416 0.2416 0.2610 0.2610 1.0377 1.0377 1.0725 1.0725 1.3855 1.3855 1.4836 1.4836 2.0590 2.0590 2.0863 2.0863 2.3558 2.3558 2.4135 2.4135 2.6691 2.6691 2.8478 2.8478 3.0040 3.0040 3.1649 3.1649 3.4489 3.4489 3.5689 3.5689 3.7993 3.7993 3.8261 3.8261 3.9714 3.9714 4.0801 4.0801 6.5893 6.5893 6.7015 6.7015 7.0159 7.0159 7.0293 7.0293 7.3054 7.3054 7.3956 7.3956 7.9327 7.9327 k = 0.3421 0.2370 0.0160 ( 9248 PWs) bands (ev): -9.5333 -9.5333 -9.5301 -9.5301 -8.5205 -8.5205 -8.5154 -8.5154 -7.6966 -7.6966 -7.6951 -7.6951 -7.5144 -7.5144 -7.5130 -7.5130 -5.5844 -5.5844 -5.5833 -5.5833 -4.5936 -4.5936 -4.5864 -4.5864 -0.2936 -0.2936 -0.2879 -0.2879 -0.0901 -0.0901 -0.0646 -0.0646 0.2696 0.2696 0.2936 0.2936 1.0351 1.0351 1.0730 1.0730 1.3768 1.3768 1.4697 1.4697 2.0349 2.0349 2.0634 2.0634 2.3506 2.3506 2.4160 2.4160 2.6479 2.6479 2.8197 2.8197 2.9604 2.9604 3.1129 3.1129 3.4368 3.4368 3.5336 3.5336 3.7734 3.7734 3.8098 3.8098 3.9478 3.9478 4.0795 4.0795 6.6405 6.6405 6.7539 6.7539 7.0753 7.0753 7.0908 7.0908 7.3446 7.3446 7.4382 7.4382 7.9449 7.9449 k = 0.3553 0.2370 0.0160 ( 9238 PWs) bands (ev): -9.4919 -9.4919 -9.4885 -9.4885 -8.5521 -8.5521 -8.5469 -8.5469 -7.6796 -7.6796 -7.6781 -7.6781 -7.5105 -7.5105 -7.5092 -7.5092 -5.5669 -5.5669 -5.5657 -5.5657 -4.6453 -4.6453 -4.6383 -4.6383 -0.3192 -0.3192 -0.3166 -0.3166 -0.1253 -0.1253 -0.1048 -0.1048 0.3024 0.3024 0.3297 0.3297 1.0295 1.0295 1.0718 1.0718 1.3741 1.3741 1.4603 1.4603 2.0099 2.0099 2.0390 2.0390 2.3457 2.3457 2.4184 2.4184 2.6294 2.6294 2.7952 2.7952 2.9162 2.9162 3.0623 3.0623 3.4226 3.4226 3.4966 3.4966 3.7462 3.7462 3.7946 3.7946 3.9293 3.9293 4.0802 4.0802 6.6915 6.6915 6.8054 6.8054 7.1332 7.1332 7.1500 7.1500 7.3823 7.3823 7.4792 7.4792 7.9548 7.9548 k = 0.3684 0.2370 0.0160 ( 9230 PWs) bands (ev): -9.4496 -9.4496 -9.4462 -9.4462 -8.5853 -8.5853 -8.5801 -8.5801 -7.6635 -7.6635 -7.6620 -7.6620 -7.5070 -7.5070 -7.5057 -7.5057 -5.5471 -5.5471 -5.5456 -5.5456 -4.6972 -4.6972 -4.6904 -4.6904 -0.3428 -0.3428 -0.3426 -0.3426 -0.1604 -0.1604 -0.1440 -0.1440 0.3382 0.3382 0.3682 0.3682 1.0203 1.0203 1.0680 1.0680 1.3777 1.3777 1.4560 1.4560 1.9845 1.9845 2.0128 2.0128 2.3410 2.3410 2.4194 2.4194 2.6139 2.6139 2.7750 2.7750 2.8731 2.8731 3.0144 3.0144 3.4062 3.4062 3.4580 3.4580 3.7178 3.7178 3.7807 3.7807 3.9158 3.9158 4.0817 4.0817 6.7418 6.7418 6.8555 6.8555 7.1890 7.1890 7.2064 7.2064 7.4181 7.4181 7.5183 7.5183 7.9642 7.9642 k = 0.3816 0.2370 0.0160 ( 9236 PWs) bands (ev): -9.4067 -9.4067 -9.4031 -9.4031 -8.6201 -8.6201 -8.6149 -8.6149 -7.6482 -7.6482 -7.6467 -7.6467 -7.5041 -7.5041 -7.5027 -7.5027 -5.5248 -5.5248 -5.5231 -5.5231 -4.7490 -4.7490 -4.7426 -4.7426 -0.3665 -0.3665 -0.3638 -0.3638 -0.1943 -0.1943 -0.1813 -0.1813 0.3762 0.3762 0.4082 0.4082 1.0069 1.0069 1.0608 1.0608 1.3875 1.3875 1.4568 1.4568 1.9589 1.9589 1.9848 1.9848 2.3364 2.3364 2.4182 2.4182 2.6008 2.6008 2.7576 2.7576 2.8344 2.8344 2.9708 2.9708 3.3871 3.3871 3.4183 3.4183 3.6894 3.6894 3.7682 3.7682 3.9068 3.9068 4.0839 4.0839 6.7908 6.7908 6.9038 6.9038 7.2420 7.2420 7.2590 7.2590 7.4515 7.4515 7.5552 7.5552 7.9733 7.9733 k = 0.3947 0.2370 0.0160 ( 9244 PWs) bands (ev): -9.3631 -9.3631 -9.3594 -9.3594 -8.6564 -8.6564 -8.6513 -8.6513 -7.6340 -7.6340 -7.6325 -7.6325 -7.5016 -7.5016 -7.5002 -7.5002 -5.5002 -5.5002 -5.4983 -5.4983 -4.8006 -4.8006 -4.7944 -4.7944 -0.3877 -0.3877 -0.3826 -0.3826 -0.2262 -0.2262 -0.2162 -0.2162 0.4157 0.4157 0.4494 0.4494 0.9895 0.9895 1.0495 1.0495 1.4030 1.4030 1.4625 1.4625 1.9335 1.9335 1.9548 1.9548 2.3326 2.3326 2.4142 2.4142 2.5889 2.5889 2.7371 2.7371 2.8078 2.8078 2.9332 2.9332 3.3650 3.3650 3.3779 3.3779 3.6624 3.6624 3.7572 3.7572 3.9011 3.9011 4.0865 4.0865 6.8380 6.8380 6.9498 6.9498 7.2918 7.2918 7.3073 7.3073 7.4823 7.4823 7.5897 7.5897 7.9822 7.9822 k = 0.4079 0.2370 0.0160 ( 9250 PWs) bands (ev): -9.3191 -9.3191 -9.3153 -9.3153 -8.6941 -8.6941 -8.6890 -8.6890 -7.6208 -7.6208 -7.6193 -7.6193 -7.4995 -7.4995 -7.4982 -7.4982 -5.4733 -5.4733 -5.4711 -5.4711 -4.8517 -4.8517 -4.8458 -4.8458 -0.4062 -0.4062 -0.3989 -0.3989 -0.2556 -0.2556 -0.2483 -0.2483 0.4562 0.4562 0.4912 0.4912 0.9683 0.9683 1.0343 1.0343 1.4234 1.4234 1.4728 1.4728 1.9084 1.9084 1.9228 1.9228 2.3301 2.3301 2.4077 2.4077 2.5761 2.5761 2.7072 2.7072 2.8001 2.8001 2.9039 2.9039 3.3372 3.3372 3.3399 3.3399 3.6380 3.6380 3.7477 3.7477 3.8980 3.8980 4.0893 4.0893 6.8828 6.8828 6.9931 6.9931 7.3376 7.3376 7.3505 7.3505 7.5102 7.5102 7.6219 7.6219 7.9908 7.9908 k = 0.4211 0.2370 0.0160 ( 9254 PWs) bands (ev): -9.2748 -9.2748 -9.2708 -9.2708 -8.7330 -8.7330 -8.7279 -8.7279 -7.6089 -7.6089 -7.6075 -7.6075 -7.4980 -7.4980 -7.4966 -7.4966 -5.4443 -5.4443 -5.4419 -5.4419 -4.9019 -4.9019 -4.8963 -4.8963 -0.4222 -0.4222 -0.4127 -0.4127 -0.2819 -0.2819 -0.2772 -0.2772 0.4974 0.4974 0.5332 0.5332 0.9437 0.9437 1.0151 1.0151 1.4482 1.4482 1.4866 1.4866 1.8841 1.8841 1.8890 1.8890 2.3300 2.3300 2.3997 2.3997 2.5603 2.5603 2.6719 2.6719 2.8071 2.8071 2.8846 2.8846 3.2969 3.2969 3.3119 3.3119 3.6170 3.6170 3.7396 3.7396 3.8966 3.8966 4.0920 4.0920 6.9245 6.9245 7.0330 7.0330 7.3790 7.3790 7.3879 7.3879 7.5352 7.5352 7.6518 7.6518 7.9993 7.9993 k = 0.4342 0.2370 0.0160 ( 9248 PWs) bands (ev): -9.2303 -9.2303 -9.2262 -9.2262 -8.7729 -8.7729 -8.7678 -8.7678 -7.5985 -7.5985 -7.5970 -7.5970 -7.4970 -7.4970 -7.4956 -7.4956 -5.4136 -5.4136 -5.4108 -5.4108 -4.9508 -4.9508 -4.9456 -4.9456 -0.4356 -0.4356 -0.4238 -0.4238 -0.3049 -0.3049 -0.3026 -0.3026 0.5390 0.5390 0.5749 0.5749 0.9161 0.9161 0.9926 0.9926 1.4764 1.4764 1.5030 1.5030 1.8535 1.8535 1.8607 1.8607 2.3331 2.3331 2.3915 2.3915 2.5402 2.5402 2.6368 2.6368 2.8226 2.8226 2.8758 2.8758 3.2577 3.2577 3.2817 3.2817 3.5998 3.5998 3.7329 3.7329 3.8962 3.8962 4.0947 4.0947 6.9622 6.9622 7.0688 7.0688 7.4152 7.4152 7.4189 7.4189 7.5571 7.5571 7.6792 7.6792 8.0049 8.0049 k = 0.4474 0.2370 0.0160 ( 9238 PWs) bands (ev): -9.1861 -9.1861 -9.1819 -9.1819 -8.8134 -8.8134 -8.8084 -8.8084 -7.5895 -7.5895 -7.5880 -7.5880 -7.4964 -7.4964 -7.4949 -7.4949 -5.3814 -5.3814 -5.3783 -5.3783 -4.9980 -4.9980 -4.9931 -4.9931 -0.4464 -0.4464 -0.4325 -0.4325 -0.3242 -0.3242 -0.3242 -0.3242 0.5807 0.5807 0.6156 0.6156 0.8858 0.8858 0.9674 0.9674 1.5074 1.5074 1.5206 1.5206 1.8167 1.8167 1.8387 1.8387 2.3398 2.3398 2.3844 2.3844 2.5160 2.5160 2.6047 2.6047 2.8428 2.8428 2.8763 2.8763 3.2206 3.2206 3.2507 3.2507 3.5864 3.5864 3.7275 3.7275 3.8965 3.8965 4.0970 4.0970 6.9951 6.9951 7.0999 7.0999 7.4433 7.4433 7.4456 7.4456 7.5759 7.5759 7.7040 7.7040 8.0020 8.0020 k = 0.4605 0.2370 0.0160 ( 9238 PWs) bands (ev): -9.1426 -9.1426 -9.1382 -9.1382 -8.8540 -8.8540 -8.8491 -8.8491 -7.5822 -7.5822 -7.5808 -7.5808 -7.4961 -7.4961 -7.4946 -7.4946 -5.3488 -5.3488 -5.3453 -5.3453 -5.0424 -5.0424 -5.0379 -5.0379 -0.4547 -0.4547 -0.4388 -0.4388 -0.3417 -0.3417 -0.3395 -0.3395 0.6222 0.6222 0.6541 0.6541 0.8530 0.8530 0.9408 0.9408 1.5379 1.5379 1.5404 1.5404 1.7793 1.7793 1.8189 1.8189 2.3507 2.3507 2.3790 2.3790 2.4893 2.4893 2.5773 2.5773 2.8649 2.8649 2.8836 2.8836 3.1869 3.1869 3.2207 3.2207 3.5764 3.5764 3.7234 3.7234 3.8970 3.8970 4.0989 4.0989 7.0222 7.0222 7.1252 7.1252 7.4613 7.4613 7.4694 7.4694 7.5914 7.5914 7.7254 7.7254 7.9960 7.9960 k = 0.4737 0.2370 0.0160 ( 9234 PWs) bands (ev): -9.1010 -9.1010 -9.0965 -9.0965 -8.8936 -8.8936 -8.8887 -8.8887 -7.5769 -7.5769 -7.5754 -7.5754 -7.4960 -7.4960 -7.4945 -7.4945 -5.3175 -5.3175 -5.3136 -5.3136 -5.0821 -5.0821 -5.0781 -5.0781 -0.4605 -0.4605 -0.4430 -0.4430 -0.3546 -0.3546 -0.3507 -0.3507 0.6633 0.6633 0.6885 0.6885 0.8182 0.8182 0.9149 0.9149 1.5530 1.5530 1.5743 1.5743 1.7422 1.7422 1.8025 1.8025 2.3655 2.3655 2.3757 2.3757 2.4617 2.4617 2.5561 2.5561 2.8854 2.8854 2.8939 2.8939 3.1589 3.1589 3.1947 3.1947 3.5696 3.5696 3.7206 3.7206 3.8975 3.8975 4.1004 4.1004 7.0425 7.0425 7.1441 7.1441 7.4733 7.4733 7.4864 7.4864 7.6034 7.6034 7.7423 7.7423 7.9892 7.9892 k = 0.4868 0.2370 0.0160 ( 9234 PWs) bands (ev): -9.0650 -9.0650 -9.0604 -9.0604 -8.9283 -8.9283 -8.9236 -8.9236 -7.5736 -7.5736 -7.5721 -7.5721 -7.4960 -7.4960 -7.4945 -7.4945 -5.2919 -5.2919 -5.2876 -5.2876 -5.1128 -5.1128 -5.1092 -5.1092 -0.4640 -0.4640 -0.4453 -0.4453 -0.3625 -0.3625 -0.3574 -0.3574 0.7037 0.7037 0.7145 0.7145 0.7816 0.7816 0.8939 0.8939 1.5636 1.5636 1.6066 1.6066 1.7080 1.7080 1.7914 1.7914 2.3740 2.3740 2.3837 2.3837 2.4353 2.4353 2.5425 2.5425 2.9006 2.9006 2.9030 2.9030 3.1397 3.1397 3.1762 3.1762 3.5657 3.5657 3.7188 3.7188 3.8979 3.8979 4.1013 4.1013 7.0551 7.0551 7.1558 7.1558 7.4802 7.4802 7.4965 7.4965 7.6110 7.6110 7.7533 7.7533 7.9840 7.9840 k = 0.5000 0.2370 0.0160 ( 9240 PWs) bands (ev): -9.0478 -9.0478 -9.0431 -9.0431 -8.9451 -8.9451 -8.9405 -8.9405 -7.5725 -7.5725 -7.5710 -7.5710 -7.4961 -7.4961 -7.4946 -7.4946 -5.2811 -5.2811 -5.2766 -5.2766 -5.1253 -5.1253 -5.1220 -5.1220 -0.4652 -0.4652 -0.4460 -0.4460 -0.3652 -0.3652 -0.3597 -0.3597 0.7248 0.7248 0.7405 0.7405 0.7461 0.7461 0.8853 0.8853 1.5674 1.5674 1.6245 1.6245 1.6894 1.6894 1.7874 1.7874 2.3735 2.3735 2.3986 2.3986 2.4176 2.4176 2.5379 2.5379 2.9063 2.9063 2.9066 2.9066 3.1328 3.1328 3.1694 3.1694 3.5644 3.5644 3.7183 3.7183 3.8981 3.8981 4.1016 4.1016 7.0594 7.0594 7.1598 7.1598 7.4824 7.4824 7.4999 7.4999 7.6137 7.6137 7.7572 7.7572 7.9820 7.9820 k = 0.5000 0.2370 0.0160 ( 9240 PWs) bands (ev): -9.0478 -9.0478 -9.0431 -9.0431 -8.9451 -8.9451 -8.9405 -8.9405 -7.5725 -7.5725 -7.5710 -7.5710 -7.4961 -7.4961 -7.4946 -7.4946 -5.2811 -5.2811 -5.2766 -5.2766 -5.1253 -5.1253 -5.1220 -5.1220 -0.4652 -0.4652 -0.4460 -0.4460 -0.3652 -0.3652 -0.3597 -0.3597 0.7248 0.7248 0.7405 0.7405 0.7461 0.7461 0.8853 0.8853 1.5674 1.5674 1.6245 1.6245 1.6894 1.6894 1.7874 1.7874 2.3735 2.3735 2.3986 2.3986 2.4176 2.4176 2.5379 2.5379 2.9063 2.9063 2.9066 2.9066 3.1328 3.1328 3.1694 3.1694 3.5644 3.5644 3.7183 3.7183 3.8981 3.8981 4.1016 4.1016 7.0594 7.0594 7.1598 7.1598 7.4824 7.4824 7.4999 7.4999 7.6137 7.6137 7.7572 7.7572 7.9820 7.9820 k = 0.5000 0.2379 0.0028 ( 9240 PWs) bands (ev): -9.0477 -9.0477 -9.0430 -9.0430 -8.9453 -8.9453 -8.9406 -8.9406 -7.5730 -7.5730 -7.5716 -7.5716 -7.4955 -7.4955 -7.4940 -7.4940 -5.2816 -5.2816 -5.2771 -5.2771 -5.1247 -5.1247 -5.1214 -5.1214 -0.4655 -0.4655 -0.4464 -0.4464 -0.3629 -0.3629 -0.3573 -0.3573 0.7204 0.7204 0.7427 0.7427 0.7447 0.7447 0.8835 0.8835 1.5623 1.5623 1.6248 1.6248 1.6826 1.6826 1.7863 1.7863 2.3660 2.3660 2.3976 2.3976 2.4288 2.4288 2.5382 2.5382 2.9063 2.9063 2.9106 2.9106 3.1417 3.1417 3.1771 3.1771 3.5645 3.5645 3.7172 3.7172 3.8983 3.8983 4.1011 4.1011 7.0558 7.0558 7.1546 7.1546 7.4732 7.4732 7.4899 7.4899 7.6098 7.6098 7.7496 7.7496 7.9855 7.9855 k = 0.5000 0.2388-0.0105 ( 9234 PWs) bands (ev): -9.0472 -9.0472 -9.0425 -9.0425 -8.9457 -8.9457 -8.9411 -8.9411 -7.5745 -7.5745 -7.5732 -7.5732 -7.4939 -7.4939 -7.4925 -7.4925 -5.2830 -5.2830 -5.2786 -5.2786 -5.1230 -5.1230 -5.1199 -5.1199 -0.4662 -0.4662 -0.4474 -0.4474 -0.3563 -0.3563 -0.3505 -0.3505 0.7109 0.7109 0.7406 0.7406 0.7454 0.7454 0.8781 0.8781 1.5495 1.5495 1.6234 1.6234 1.6648 1.6648 1.7808 1.7808 2.3564 2.3564 2.3945 2.3945 2.4488 2.4488 2.5399 2.5399 2.9086 2.9086 2.9225 2.9225 3.1661 3.1661 3.1988 3.1988 3.5651 3.5651 3.7143 3.7143 3.8990 3.8990 4.0999 4.0999 7.0447 7.0447 7.1384 7.1384 7.4500 7.4500 7.4626 7.4626 7.5958 7.5958 7.7280 7.7280 7.9956 7.9956 k = 0.5000 0.2396-0.0237 ( 9236 PWs) bands (ev): -9.0464 -9.0464 -9.0418 -9.0418 -8.9464 -8.9464 -8.9418 -8.9418 -7.5768 -7.5768 -7.5756 -7.5756 -7.4915 -7.4915 -7.4902 -7.4902 -5.2851 -5.2851 -5.2810 -5.2810 -5.1204 -5.1204 -5.1174 -5.1174 -0.4669 -0.4669 -0.4485 -0.4485 -0.3457 -0.3457 -0.3397 -0.3397 0.6994 0.6994 0.7340 0.7340 0.7457 0.7457 0.8685 0.8685 1.5334 1.5334 1.6171 1.6171 1.6408 1.6408 1.7672 1.7672 2.3536 2.3536 2.3887 2.3887 2.4670 2.4670 2.5449 2.5449 2.9180 2.9180 2.9422 2.9422 3.2008 3.2008 3.2316 3.2316 3.5667 3.5667 3.7100 3.7100 3.9002 3.9002 4.0979 4.0979 7.0258 7.0258 7.1104 7.1104 7.4207 7.4207 7.4230 7.4230 7.5704 7.5704 7.6966 7.6966 8.0099 8.0099 k = 0.5000 0.2405-0.0370 ( 9244 PWs) bands (ev): -9.0454 -9.0454 -9.0409 -9.0409 -8.9473 -8.9473 -8.9429 -8.9429 -7.5798 -7.5798 -7.5787 -7.5787 -7.4885 -7.4885 -7.4873 -7.4873 -5.2880 -5.2880 -5.2842 -5.2842 -5.1169 -5.1169 -5.1142 -5.1142 -0.4673 -0.4673 -0.4493 -0.4493 -0.3319 -0.3319 -0.3257 -0.3257 0.6868 0.6868 0.7254 0.7254 0.7427 0.7427 0.8546 0.8546 1.5170 1.5170 1.6046 1.6046 1.6142 1.6142 1.7449 1.7449 2.3571 2.3571 2.3794 2.3794 2.4819 2.4819 2.5557 2.5557 2.9372 2.9372 2.9684 2.9684 3.2408 3.2408 3.2718 3.2718 3.5701 3.5701 3.7056 3.7056 3.9020 3.9020 4.0956 4.0956 6.9986 6.9986 7.0707 7.0707 7.3761 7.3761 7.3886 7.3886 7.5376 7.5376 7.6608 7.6608 8.0244 8.0244 k = 0.5000 0.2414-0.0502 ( 9238 PWs) bands (ev): -9.0441 -9.0441 -9.0397 -9.0397 -8.9485 -8.9485 -8.9441 -8.9441 -7.5831 -7.5831 -7.5821 -7.5821 -7.4850 -7.4850 -7.4840 -7.4840 -5.2913 -5.2913 -5.2878 -5.2878 -5.1129 -5.1129 -5.1104 -5.1104 -0.4669 -0.4669 -0.4494 -0.4494 -0.3153 -0.3153 -0.3091 -0.3091 0.6735 0.6735 0.7150 0.7150 0.7360 0.7360 0.8362 0.8362 1.5018 1.5018 1.5865 1.5865 1.5871 1.5871 1.7156 1.7156 2.3616 2.3616 2.3661 2.3661 2.4975 2.4975 2.5743 2.5743 2.9656 2.9656 2.9990 2.9990 3.2819 3.2819 3.3153 3.3153 3.5766 3.5766 3.7024 3.7024 3.9047 3.9047 4.0934 4.0934 6.9631 6.9631 7.0212 7.0212 7.3247 7.3247 7.3513 7.3513 7.5059 7.5059 7.6257 7.6257 8.0363 8.0363 k = 0.5000 0.2423-0.0635 ( 9246 PWs) bands (ev): -9.0426 -9.0426 -9.0382 -9.0382 -8.9499 -8.9499 -8.9456 -8.9456 -7.5867 -7.5867 -7.5858 -7.5858 -7.4814 -7.4814 -7.4805 -7.4805 -5.2949 -5.2949 -5.2917 -5.2917 -5.1085 -5.1085 -5.1063 -5.1063 -0.4657 -0.4657 -0.4486 -0.4486 -0.2966 -0.2966 -0.2904 -0.2904 0.6598 0.6598 0.7034 0.7034 0.7257 0.7257 0.8134 0.8134 1.4880 1.4880 1.5603 1.5603 1.5652 1.5652 1.6826 1.6826 2.3496 2.3496 2.3609 2.3609 2.5197 2.5197 2.6009 2.6009 3.0002 3.0002 3.0315 3.0315 3.3205 3.3205 3.3581 3.3581 3.5879 3.5879 3.7025 3.7025 3.9087 3.9087 4.0916 4.0916 6.9205 6.9205 6.9651 6.9651 7.2699 7.2699 7.3042 7.3042 7.4832 7.4832 7.5949 7.5949 8.0443 8.0443 k = 0.5000 0.2432-0.0767 ( 9246 PWs) bands (ev): -9.0408 -9.0408 -9.0367 -9.0367 -8.9515 -8.9515 -8.9474 -8.9474 -7.5902 -7.5902 -7.5895 -7.5895 -7.4778 -7.4778 -7.4770 -7.4770 -5.2986 -5.2986 -5.2958 -5.2958 -5.1039 -5.1039 -5.1020 -5.1020 -0.4635 -0.4635 -0.4471 -0.4471 -0.2762 -0.2762 -0.2700 -0.2700 0.6458 0.6458 0.6906 0.6906 0.7121 0.7121 0.7870 0.7870 1.4740 1.4740 1.5335 1.5335 1.5443 1.5443 1.6498 1.6498 2.3312 2.3312 2.3527 2.3527 2.5510 2.5510 2.6340 2.6340 3.0371 3.0371 3.0633 3.0633 3.3533 3.3533 3.3957 3.3957 3.6055 3.6055 3.7082 3.7082 3.9147 3.9147 4.0909 4.0909 6.8727 6.8727 6.9058 6.9058 7.2122 7.2122 7.2469 7.2469 7.4718 7.4718 7.5707 7.5707 8.0481 8.0481 k = 0.5000 0.2441-0.0900 ( 9248 PWs) bands (ev): -9.0389 -9.0389 -9.0350 -9.0350 -8.9532 -8.9532 -8.9492 -8.9492 -7.5937 -7.5937 -7.5930 -7.5930 -7.4743 -7.4743 -7.4736 -7.4736 -5.3022 -5.3022 -5.2998 -5.2998 -5.0994 -5.0994 -5.0977 -5.0977 -0.4605 -0.4605 -0.4448 -0.4448 -0.2546 -0.2546 -0.2484 -0.2484 0.6315 0.6315 0.6767 0.6767 0.6963 0.6963 0.7582 0.7582 1.4567 1.4567 1.5054 1.5054 1.5284 1.5284 1.6207 1.6207 2.3125 2.3125 2.3387 2.3387 2.5897 2.5897 2.6718 2.6718 3.0728 3.0728 3.0925 3.0925 3.3784 3.3784 3.4243 3.4243 3.6302 3.6302 3.7215 3.7215 3.9234 3.9234 4.0916 4.0916 6.8222 6.8222 6.8464 6.8464 7.1524 7.1524 7.1830 7.1830 7.4692 7.4692 7.5534 7.5534 8.0481 8.0481 k = 0.5000 0.2450-0.1032 ( 9254 PWs) bands (ev): -9.0369 -9.0369 -9.0332 -9.0332 -8.9549 -8.9549 -8.9512 -8.9512 -7.5969 -7.5969 -7.5963 -7.5963 -7.4710 -7.4710 -7.4704 -7.4704 -5.3057 -5.3057 -5.3037 -5.3037 -5.0950 -5.0950 -5.0936 -5.0936 -0.4568 -0.4568 -0.4420 -0.4420 -0.2323 -0.2323 -0.2262 -0.2262 0.6166 0.6166 0.6615 0.6615 0.6796 0.6796 0.7286 0.7286 1.4350 1.4350 1.4757 1.4757 1.5201 1.5201 1.5977 1.5977 2.2946 2.2946 2.3216 2.3216 2.6330 2.6330 2.7126 2.7126 3.1048 3.1048 3.1173 3.1173 3.3953 3.3953 3.4415 3.4415 3.6615 3.6615 3.7432 3.7432 3.9353 3.9353 4.0938 4.0938 6.7716 6.7716 6.7892 6.7892 7.0917 7.0917 7.1167 7.1167 7.4723 7.4723 7.5424 7.5424 8.0450 8.0450 k = 0.5000 0.2459-0.1165 ( 9254 PWs) bands (ev): -9.0349 -9.0349 -9.0314 -9.0314 -8.9567 -8.9567 -8.9533 -8.9533 -7.5998 -7.5998 -7.5993 -7.5993 -7.4681 -7.4681 -7.4676 -7.4676 -5.3088 -5.3088 -5.3072 -5.3072 -5.0910 -5.0910 -5.0898 -5.0898 -0.4525 -0.4525 -0.4389 -0.4389 -0.2100 -0.2100 -0.2040 -0.2040 0.6009 0.6009 0.6440 0.6440 0.6636 0.6636 0.7007 0.7007 1.4109 1.4109 1.4448 1.4448 1.5181 1.5181 1.5812 1.5812 2.2783 2.2783 2.3035 2.3035 2.6784 2.6784 2.7543 2.7543 3.1315 3.1315 3.1371 3.1371 3.4045 3.4045 3.4476 3.4476 3.6973 3.6973 3.7711 3.7711 3.9504 3.9504 4.0973 4.0973 6.7235 6.7235 6.7364 6.7364 7.0321 7.0321 7.0513 7.0513 7.4789 7.4789 7.5360 7.5360 8.0397 8.0397 k = 0.5000 0.2468-0.1297 ( 9268 PWs) bands (ev): -9.0328 -9.0328 -9.0298 -9.0298 -8.9584 -8.9584 -8.9553 -8.9553 -7.6023 -7.6023 -7.6019 -7.6019 -7.4655 -7.4655 -7.4651 -7.4651 -5.3116 -5.3116 -5.3103 -5.3103 -5.0874 -5.0874 -5.0865 -5.0865 -0.4478 -0.4478 -0.4357 -0.4357 -0.1884 -0.1884 -0.1826 -0.1826 0.5843 0.5843 0.6233 0.6233 0.6498 0.6498 0.6769 0.6769 1.3875 1.3875 1.4147 1.4147 1.5200 1.5200 1.5700 1.5700 2.2641 2.2641 2.2859 2.2859 2.7242 2.7242 2.7952 2.7952 3.1517 3.1517 3.1523 3.1523 3.4075 3.4075 3.4449 3.4449 3.7351 3.7351 3.8014 3.8014 3.9684 3.9684 4.1014 4.1014 6.6802 6.6802 6.6897 6.6897 6.9756 6.9756 6.9897 6.9897 7.4873 7.4873 7.5327 7.5327 8.0333 8.0333 k = 0.5000 0.2477-0.1430 ( 9276 PWs) bands (ev): -9.0309 -9.0309 -9.0283 -9.0283 -8.9599 -8.9599 -8.9573 -8.9573 -7.6044 -7.6044 -7.6041 -7.6041 -7.4634 -7.4634 -7.4631 -7.4631 -5.3138 -5.3138 -5.3129 -5.3129 -5.0844 -5.0844 -5.0837 -5.0837 -0.4432 -0.4432 -0.4327 -0.4327 -0.1683 -0.1683 -0.1629 -0.1629 0.5676 0.5676 0.6001 0.6001 0.6390 0.6390 0.6584 0.6584 1.3670 1.3670 1.3869 1.3869 1.5240 1.5240 1.5625 1.5625 2.2525 2.2525 2.2696 2.2696 2.7687 2.7687 2.8334 2.8334 3.1616 3.1616 3.1673 3.1673 3.4054 3.4054 3.4361 3.4361 3.7725 3.7725 3.8300 3.8300 3.9886 3.9886 4.1047 4.1047 6.6434 6.6434 6.6503 6.6503 6.9244 6.9244 6.9344 6.9344 7.4962 7.4962 7.5308 7.5308 8.0268 8.0268 k = 0.5000 0.2486-0.1562 ( 9264 PWs) bands (ev): -9.0291 -9.0291 -9.0270 -9.0270 -8.9611 -8.9611 -8.9591 -8.9591 -7.6059 -7.6059 -7.6057 -7.6057 -7.4618 -7.4618 -7.4616 -7.4616 -5.3156 -5.3156 -5.3150 -5.3150 -5.0820 -5.0820 -5.0814 -5.0814 -0.4386 -0.4386 -0.4300 -0.4300 -0.1507 -0.1507 -0.1458 -0.1458 0.5522 0.5522 0.5768 0.5768 0.6316 0.6316 0.6442 0.6442 1.3507 1.3507 1.3631 1.3631 1.5291 1.5291 1.5575 1.5575 2.2437 2.2437 2.2552 2.2552 2.8103 2.8103 2.8666 2.8666 3.1681 3.1681 3.1769 3.1769 3.4002 3.4002 3.4241 3.4241 3.8072 3.8072 3.8534 3.8534 4.0095 4.0095 4.1060 4.1060 6.6146 6.6146 6.6191 6.6191 6.8806 6.8806 6.8877 6.8877 7.5046 7.5046 7.5290 7.5290 8.0215 8.0215 k = 0.5000 0.2495-0.1695 ( 9250 PWs) bands (ev): -9.0275 -9.0275 -9.0261 -9.0261 -8.9620 -8.9620 -8.9606 -8.9606 -7.6070 -7.6070 -7.6069 -7.6069 -7.4607 -7.4607 -7.4605 -7.4605 -5.3168 -5.3168 -5.3165 -5.3165 -5.0803 -5.0803 -5.0799 -5.0799 -0.4346 -0.4346 -0.4281 -0.4281 -0.1367 -0.1367 -0.1325 -0.1325 0.5399 0.5399 0.5563 0.5563 0.6273 0.6273 0.6331 0.6331 1.3396 1.3396 1.3440 1.3440 1.5348 1.5348 1.5540 1.5540 2.2378 2.2378 2.2432 2.2432 2.8474 2.8474 2.8924 2.8924 3.1721 3.1721 3.1815 3.1815 3.3939 3.3939 3.4114 3.4114 3.8368 3.8368 3.8691 3.8691 4.0300 4.0300 4.1040 4.1040 6.5946 6.5946 6.5968 6.5968 6.8464 6.8464 6.8518 6.8518 7.5115 7.5115 7.5261 7.5261 8.0153 8.0153 k = 0.5000 0.2504-0.1827 ( 9232 PWs) bands (ev): -9.0264 -9.0264 -9.0256 -9.0256 -8.9625 -8.9625 -8.9618 -8.9618 -7.6075 -7.6075 -7.6074 -7.6074 -7.4601 -7.4601 -7.4601 -7.4601 -5.3174 -5.3174 -5.3173 -5.3173 -5.0792 -5.0792 -5.0791 -5.0791 -0.4312 -0.4312 -0.4269 -0.4269 -0.1272 -0.1272 -0.1239 -0.1239 0.5321 0.5321 0.5403 0.5403 0.6248 0.6248 0.6260 0.6260 1.3306 1.3306 1.3342 1.3342 1.5405 1.5405 1.5513 1.5513 2.2338 2.2338 2.2349 2.2349 2.8779 2.8779 2.9083 2.9083 3.1749 3.1749 3.1815 3.1815 3.3889 3.3889 3.4005 3.4005 3.8595 3.8595 3.8755 3.8755 4.0484 4.0484 4.0977 4.0977 6.5834 6.5834 6.5841 6.5841 6.8236 6.8236 6.8285 6.8285 7.5163 7.5163 7.5213 7.5213 8.0074 8.0074 k = 0.5000 0.2504-0.1827 ( 9232 PWs) bands (ev): -9.0264 -9.0264 -9.0256 -9.0256 -8.9625 -8.9625 -8.9618 -8.9618 -7.6075 -7.6075 -7.6074 -7.6074 -7.4601 -7.4601 -7.4601 -7.4601 -5.3174 -5.3174 -5.3173 -5.3173 -5.0792 -5.0792 -5.0791 -5.0791 -0.4312 -0.4312 -0.4269 -0.4269 -0.1272 -0.1272 -0.1239 -0.1239 0.5321 0.5321 0.5403 0.5403 0.6248 0.6248 0.6260 0.6260 1.3306 1.3306 1.3342 1.3342 1.5405 1.5405 1.5513 1.5513 2.2338 2.2338 2.2349 2.2349 2.8779 2.8779 2.9083 2.9083 3.1749 3.1749 3.1815 3.1815 3.3889 3.3889 3.4005 3.4005 3.8595 3.8595 3.8755 3.8755 4.0484 4.0484 4.0977 4.0977 6.5834 6.5834 6.5841 6.5841 6.8236 6.8236 6.8285 6.8285 7.5163 7.5163 7.5213 7.5213 8.0074 8.0074 k = 0.5000 0.2437-0.1907 ( 9234 PWs) bands (ev): -9.0260 -9.0260 -9.0256 -9.0256 -8.9625 -8.9625 -8.9621 -8.9621 -7.6077 -7.6077 -7.6076 -7.6076 -7.4600 -7.4600 -7.4600 -7.4600 -5.3176 -5.3176 -5.3175 -5.3175 -5.0789 -5.0789 -5.0788 -5.0788 -0.4292 -0.4292 -0.4271 -0.4271 -0.1234 -0.1234 -0.1217 -0.1217 0.5321 0.5321 0.5362 0.5362 0.6224 0.6224 0.6231 0.6231 1.3290 1.3290 1.3310 1.3310 1.5419 1.5419 1.5474 1.5474 2.2314 2.2314 2.2320 2.2320 2.8965 2.8965 2.9122 2.9122 3.1748 3.1748 3.1787 3.1787 3.3880 3.3880 3.3940 3.3940 3.8671 3.8671 3.8749 3.8749 4.0616 4.0616 4.0863 4.0863 6.5823 6.5823 6.5826 6.5826 6.8168 6.8168 6.8192 6.8192 7.5193 7.5193 7.5218 7.5218 8.0112 8.0112 k = 0.5000 0.2370-0.1987 ( 9232 PWs) bands (ev): -9.0257 -9.0257 -9.0257 -9.0257 -8.9624 -8.9624 -8.9624 -8.9624 -7.6077 -7.6077 -7.6077 -7.6077 -7.4599 -7.4599 -7.4599 -7.4599 -5.3176 -5.3176 -5.3176 -5.3176 -5.0787 -5.0787 -5.0787 -5.0787 -0.4278 -0.4278 -0.4278 -0.4278 -0.1216 -0.1216 -0.1216 -0.1216 0.5335 0.5335 0.5335 0.5335 0.6218 0.6218 0.6218 0.6218 1.3292 1.3292 1.3292 1.3292 1.5442 1.5442 1.5442 1.5442 2.2308 2.2308 2.2308 2.2308 2.9083 2.9083 2.9083 2.9083 3.1762 3.1762 3.1762 3.1762 3.3897 3.3897 3.3897 3.3897 3.8721 3.8721 3.8721 3.8721 4.0743 4.0743 4.0743 4.0743 6.5820 6.5820 6.5820 6.5820 6.8153 6.8153 6.8153 6.8153 7.5211 7.5211 7.5211 7.5211 8.0143 8.0143 k = 0.5000 0.2370-0.1987 ( 9232 PWs) bands (ev): -9.0257 -9.0257 -9.0257 -9.0257 -8.9624 -8.9624 -8.9624 -8.9624 -7.6077 -7.6077 -7.6077 -7.6077 -7.4599 -7.4599 -7.4599 -7.4599 -5.3176 -5.3176 -5.3176 -5.3176 -5.0787 -5.0787 -5.0787 -5.0787 -0.4278 -0.4278 -0.4278 -0.4278 -0.1216 -0.1216 -0.1216 -0.1216 0.5335 0.5335 0.5335 0.5335 0.6218 0.6218 0.6218 0.6218 1.3292 1.3292 1.3292 1.3292 1.5442 1.5442 1.5442 1.5442 2.2308 2.2308 2.2308 2.2308 2.9083 2.9083 2.9083 2.9083 3.1762 3.1762 3.1762 3.1762 3.3897 3.3897 3.3897 3.3897 3.8721 3.8721 3.8721 3.8721 4.0743 4.0743 4.0743 4.0743 6.5820 6.5820 6.5820 6.5820 6.8153 6.8153 6.8153 6.8153 7.5211 7.5211 7.5211 7.5211 8.0143 8.0143 k = 0.4868 0.2370-0.1987 ( 9228 PWs) bands (ev): -9.0679 -9.0679 -9.0099 -9.0099 -8.9843 -8.9843 -8.9151 -8.9151 -7.6261 -7.6261 -7.5906 -7.5906 -7.4675 -7.4675 -7.4529 -7.4529 -5.3632 -5.3632 -5.2707 -5.2707 -5.1247 -5.1247 -5.0312 -5.0312 -0.4328 -0.4328 -0.4207 -0.4207 -0.1449 -0.1449 -0.0972 -0.0972 0.5290 0.5290 0.5339 0.5339 0.5939 0.5939 0.6547 0.6547 1.3214 1.3214 1.3420 1.3420 1.5128 1.5128 1.5772 1.5772 2.2112 2.2112 2.2534 2.2534 2.8878 2.8878 2.9283 2.9283 3.1564 3.1564 3.1953 3.1953 3.3809 3.3809 3.4011 3.4011 3.8589 3.8589 3.8843 3.8843 4.0680 4.0680 4.0796 4.0796 6.5507 6.5507 6.6147 6.6147 6.7935 6.7935 6.8395 6.8395 7.4811 7.4811 7.5602 7.5602 7.9851 7.9851 k = 0.4737 0.2370-0.1987 ( 9236 PWs) bands (ev): -9.1106 -9.1106 -9.0574 -9.0574 -8.9437 -8.9437 -8.8681 -8.8681 -7.6457 -7.6457 -7.5749 -7.5749 -7.4754 -7.4754 -7.4463 -7.4463 -5.4072 -5.4072 -5.2224 -5.2224 -5.1689 -5.1689 -4.9822 -4.9822 -0.4357 -0.4357 -0.4112 -0.4112 -0.1670 -0.1670 -0.0719 -0.0719 0.5130 0.5130 0.5312 0.5312 0.5820 0.5820 0.6882 0.6882 1.3176 1.3176 1.3591 1.3591 1.4857 1.4857 1.6099 1.6099 2.1946 2.1946 2.2788 2.2788 2.8671 2.8671 2.9475 2.9475 3.1361 3.1361 3.2134 3.2134 3.3754 3.3754 3.4149 3.4149 3.8450 3.8450 3.8951 3.8951 4.0608 4.0608 4.0842 4.0842 6.5211 6.5211 6.6475 6.6475 6.7749 6.7749 6.8657 6.8657 7.4402 7.4402 7.5979 7.5979 7.9517 7.9517 k = 0.4605 0.2370-0.1987 ( 9252 PWs) bands (ev): -9.1536 -9.1536 -9.1049 -9.1049 -8.9042 -8.9042 -8.8216 -8.8216 -7.6664 -7.6664 -7.5606 -7.5606 -7.4836 -7.4836 -7.4401 -7.4401 -5.4496 -5.4496 -5.2111 -5.2111 -5.1728 -5.1728 -4.9320 -4.9320 -0.4366 -0.4366 -0.3995 -0.3995 -0.1878 -0.1878 -0.0458 -0.0458 0.4811 0.4811 0.5311 0.5311 0.5863 0.5863 0.7212 0.7212 1.3153 1.3153 1.3784 1.3784 1.4684 1.4684 1.6414 1.6414 2.1812 2.1812 2.3069 2.3069 2.8467 2.8467 2.9657 2.9657 3.1155 3.1155 3.2302 3.2302 3.3733 3.3733 3.4304 3.4304 3.8306 3.8306 3.9046 3.9046 4.0524 4.0524 4.0881 4.0881 6.4936 6.4936 6.6776 6.6776 6.7621 6.7621 6.8935 6.8935 7.3987 7.3987 7.6342 7.6342 7.9152 7.9152 k = 0.4474 0.2370-0.1987 ( 9258 PWs) bands (ev): -9.1970 -9.1970 -9.1522 -9.1522 -8.8660 -8.8660 -8.7757 -8.7757 -7.6882 -7.6882 -7.5478 -7.5478 -7.4922 -7.4922 -7.4345 -7.4345 -5.4904 -5.4904 -5.2514 -5.2514 -5.1220 -5.1220 -4.8808 -4.8808 -0.4356 -0.4356 -0.3855 -0.3855 -0.2070 -0.2070 -0.0191 -0.0191 0.4431 0.4431 0.5334 0.5334 0.5976 0.5976 0.7537 0.7537 1.3095 1.3095 1.3968 1.3968 1.4685 1.4685 1.6708 1.6708 2.1714 2.1714 2.3375 2.3375 2.8269 2.8269 2.9824 2.9824 3.0953 3.0953 3.2456 3.2456 3.3748 3.3748 3.4472 3.4472 3.8161 3.8161 3.9124 3.9124 4.0430 4.0430 4.0916 4.0916 6.4685 6.4685 6.6965 6.6965 6.7631 6.7631 6.9228 6.9228 7.3566 7.3566 7.6686 7.6686 7.8766 7.8766 k = 0.4342 0.2370-0.1987 ( 9254 PWs) bands (ev): -9.2404 -9.2404 -9.1993 -9.1993 -8.8291 -8.8291 -8.7305 -8.7305 -7.7109 -7.7109 -7.5365 -7.5365 -7.5010 -7.5010 -7.4293 -7.4293 -5.5294 -5.5294 -5.2895 -5.2895 -5.0702 -5.0702 -4.8287 -4.8287 -0.4327 -0.4327 -0.3692 -0.3692 -0.2243 -0.2243 0.0079 0.0079 0.4035 0.4035 0.5377 0.5377 0.6120 0.6120 0.7862 0.7862 1.2967 1.2967 1.4153 1.4153 1.4885 1.4885 1.6975 1.6975 2.1652 2.1652 2.3705 2.3705 2.8082 2.8082 2.9969 2.9969 3.0763 3.0763 3.2590 3.2590 3.3801 3.3801 3.4648 3.4648 3.8020 3.8020 3.9184 3.9184 4.0323 4.0323 4.0947 4.0947 6.4458 6.4458 6.6970 6.6970 6.7844 6.7844 6.9531 6.9531 7.3142 7.3142 7.7000 7.7000 7.8372 7.8372 k = 0.4211 0.2370-0.1987 ( 9252 PWs) bands (ev): -9.2838 -9.2838 -9.2459 -9.2459 -8.7937 -8.7937 -8.6861 -8.6861 -7.7344 -7.7344 -7.5267 -7.5267 -7.5100 -7.5100 -7.4245 -7.4245 -5.5667 -5.5667 -5.3253 -5.3253 -5.0175 -5.0175 -4.7759 -4.7759 -0.4282 -0.4282 -0.3509 -0.3509 -0.2395 -0.2395 0.0345 0.0345 0.3643 0.3643 0.5435 0.5435 0.6285 0.6285 0.8191 0.8191 1.2789 1.2789 1.4386 1.4386 1.5209 1.5209 1.7210 1.7210 2.1630 2.1630 2.4056 2.4056 2.7912 2.7912 3.0072 3.0072 3.0611 3.0611 3.2703 3.2703 3.3888 3.3888 3.4828 3.4828 3.7889 3.7889 3.9222 3.9222 4.0204 4.0204 4.0979 4.0979 6.4257 6.4257 6.6888 6.6888 6.8156 6.8156 6.9843 6.9843 7.2716 7.2716 7.7248 7.7248 7.8012 7.8012 k = 0.4079 0.2370-0.1987 ( 9250 PWs) bands (ev): -9.3270 -9.3270 -9.2921 -9.2921 -8.7600 -8.7600 -8.6426 -8.6426 -7.7585 -7.7585 -7.5193 -7.5193 -7.5184 -7.5184 -7.4203 -7.4203 -5.6021 -5.6021 -5.3589 -5.3589 -4.9639 -4.9639 -4.7226 -4.7226 -0.4220 -0.4220 -0.3309 -0.3309 -0.2519 -0.2519 0.0596 0.0596 0.3275 0.3275 0.5499 0.5499 0.6470 0.6470 0.8529 0.8529 1.2600 1.2600 1.4678 1.4678 1.5598 1.5598 1.7412 1.7412 2.1650 2.1650 2.4422 2.4422 2.7764 2.7764 3.0079 3.0079 3.0552 3.0552 3.2792 3.2792 3.4006 3.4006 3.5009 3.5009 3.7772 3.7772 3.9232 3.9232 4.0079 4.0079 4.1014 4.1014 6.4082 6.4082 6.6788 6.6788 6.8484 6.8484 7.0160 7.0160 7.2294 7.2294 7.7237 7.7237 7.7882 7.7882 k = 0.3947 0.2370-0.1987 ( 9246 PWs) bands (ev): -9.3698 -9.3698 -9.3377 -9.3377 -8.7282 -8.7282 -8.6003 -8.6003 -7.7833 -7.7833 -7.5286 -7.5286 -7.5117 -7.5117 -7.4165 -7.4165 -5.6355 -5.6355 -5.3900 -5.3900 -4.9097 -4.9097 -4.6690 -4.6690 -0.4144 -0.4144 -0.3105 -0.3105 -0.2603 -0.2603 0.0809 0.0809 0.2961 0.2961 0.5558 0.5558 0.6676 0.6676 0.8878 0.8878 1.2433 1.2433 1.5018 1.5018 1.6020 1.6020 1.7583 1.7583 2.1713 2.1713 2.4796 2.4796 2.7644 2.7644 2.9978 2.9978 3.0607 3.0607 3.2855 3.2855 3.4148 3.4148 3.5190 3.5190 3.7674 3.7674 3.9203 3.9203 3.9956 3.9956 4.1052 4.1052 6.3932 6.3932 6.6689 6.6689 6.8795 6.8795 7.0477 7.0477 7.1879 7.1879 7.6897 7.6897 7.8051 7.8051 k = 0.3816 0.2370-0.1987 ( 9252 PWs) bands (ev): -9.4123 -9.4123 -9.3826 -9.3826 -8.6982 -8.6982 -8.5592 -8.5592 -7.8085 -7.8085 -7.5379 -7.5379 -7.5065 -7.5065 -7.4132 -7.4132 -5.6670 -5.6670 -5.4188 -5.4188 -4.8550 -4.8550 -4.6154 -4.6154 -0.4053 -0.4053 -0.2939 -0.2939 -0.2604 -0.2604 0.0941 0.0941 0.2749 0.2749 0.5599 0.5599 0.6907 0.6907 0.9240 0.9240 1.2309 1.2309 1.5395 1.5395 1.6457 1.6457 1.7730 1.7730 2.1822 2.1822 2.5168 2.5168 2.7562 2.7562 2.9838 2.9838 3.0711 3.0711 3.2893 3.2893 3.4301 3.4301 3.5371 3.5371 3.7602 3.7602 3.9119 3.9119 3.9854 3.9854 4.1096 4.1096 6.3808 6.3808 6.6594 6.6594 6.9067 6.9067 7.0787 7.0787 7.1487 7.1487 7.6475 7.6475 7.8277 7.8277 k = 0.3684 0.2370-0.1987 ( 9256 PWs) bands (ev): -9.4542 -9.4542 -9.4267 -9.4267 -8.6704 -8.6704 -8.5193 -8.5193 -7.8340 -7.8340 -7.5474 -7.5474 -7.5027 -7.5027 -7.4103 -7.4103 -5.6964 -5.6964 -5.4452 -5.4452 -4.7999 -4.7999 -4.5617 -4.5617 -0.3950 -0.3950 -0.2880 -0.2880 -0.2457 -0.2457 0.0940 0.0940 0.2696 0.2696 0.5610 0.5610 0.7167 0.7167 0.9615 0.9615 1.2242 1.2242 1.5795 1.5795 1.6884 1.6884 1.7870 1.7870 2.1975 2.1975 2.5523 2.5523 2.7530 2.7530 2.9701 2.9701 3.0830 3.0830 3.2906 3.2906 3.4452 3.4452 3.5559 3.5559 3.7557 3.7557 3.8970 3.8970 3.9783 3.9783 4.1146 4.1146 6.3709 6.3709 6.6504 6.6504 6.9270 6.9270 7.1002 7.1002 7.1216 7.1216 7.6034 7.6034 7.8498 7.8498 k = 0.3553 0.2370-0.1987 ( 9258 PWs) bands (ev): -9.4954 -9.4954 -9.4699 -9.4699 -8.6446 -8.6446 -8.4810 -8.4810 -7.8597 -7.8597 -7.5569 -7.5569 -7.5003 -7.5003 -7.4079 -7.4079 -5.7236 -5.7236 -5.4692 -5.4692 -4.7447 -4.7447 -4.5084 -4.5084 -0.3835 -0.3835 -0.2863 -0.2863 -0.2233 -0.2233 0.0812 0.0812 0.2809 0.2809 0.5585 0.5585 0.7458 0.7458 1.0002 1.0002 1.2240 1.2240 1.6205 1.6205 1.7263 1.7263 1.8046 1.8046 2.2171 2.2171 2.5840 2.5840 2.7560 2.7560 2.9585 2.9585 3.0955 3.0955 3.2896 3.2896 3.4583 3.4583 3.5761 3.5761 3.7538 3.7538 3.8766 3.8766 3.9744 3.9744 4.1199 4.1199 6.3632 6.3632 6.6416 6.6416 6.9359 6.9359 7.0788 7.0788 7.1426 7.1426 7.5590 7.5590 7.8702 7.8702 k = 0.3421 0.2370-0.1987 ( 9260 PWs) bands (ev): -9.5359 -9.5359 -9.5122 -9.5122 -8.6211 -8.6211 -8.4442 -8.4442 -7.8854 -7.8854 -7.5663 -7.5663 -7.4990 -7.4990 -7.4060 -7.4060 -5.7487 -5.7487 -5.4909 -5.4909 -4.6895 -4.6895 -4.4554 -4.4554 -0.3710 -0.3710 -0.2827 -0.2827 -0.2008 -0.2008 0.0627 0.0627 0.3035 0.3035 0.5522 0.5522 0.7780 0.7780 1.0398 1.0398 1.2307 1.2307 1.6607 1.6607 1.7541 1.7541 1.8319 1.8319 2.2407 2.2407 2.6103 2.6103 2.7661 2.7661 2.9503 2.9503 3.1086 3.1086 3.2867 3.2867 3.4682 3.4682 3.5981 3.5981 3.7535 3.7535 3.8532 3.8532 3.9726 3.9726 4.1255 4.1255 6.3576 6.3576 6.6329 6.6329 6.9285 6.9285 7.0611 7.0611 7.1681 7.1681 7.5151 7.5151 7.8881 7.8881 k = 0.3289 0.2370-0.1987 ( 9262 PWs) bands (ev): -9.5756 -9.5756 -9.5534 -9.5534 -8.5997 -8.5997 -8.4091 -8.4091 -7.9109 -7.9109 -7.5758 -7.5758 -7.4989 -7.4989 -7.4046 -7.4046 -5.7715 -5.7715 -5.5103 -5.5103 -4.6346 -4.6346 -4.4030 -4.4030 -0.3575 -0.3575 -0.2756 -0.2756 -0.1826 -0.1826 0.0466 0.0466 0.3319 0.3319 0.5424 0.5424 0.8132 0.8132 1.0798 1.0798 1.2441 1.2441 1.6970 1.6970 1.7741 1.7741 1.8696 1.8696 2.2679 2.2679 2.6306 2.6306 2.7826 2.7826 2.9462 2.9462 3.1227 3.1227 3.2821 3.2821 3.4746 3.4746 3.6211 3.6211 3.7526 3.7526 3.8312 3.8312 3.9724 3.9724 4.1309 4.1309 6.3539 6.3539 6.6241 6.6241 6.9051 6.9051 7.0533 7.0533 7.1896 7.1896 7.4725 7.4725 7.9023 7.9023 k = 0.3158 0.2370-0.1987 ( 9264 PWs) bands (ev): -9.6143 -9.6143 -9.5936 -9.5936 -8.5805 -8.5805 -8.3758 -8.3758 -7.9360 -7.9360 -7.5854 -7.5854 -7.4999 -7.4999 -7.4037 -7.4037 -5.7921 -5.7921 -5.5275 -5.5275 -4.5801 -4.5801 -4.3514 -4.3514 -0.3431 -0.3431 -0.2645 -0.2645 -0.1734 -0.1734 0.0400 0.0400 0.3630 0.3630 0.5302 0.5302 0.8510 0.8510 1.1199 1.1199 1.2639 1.2639 1.7239 1.7239 1.7968 1.7968 1.9123 1.9123 2.2983 2.2983 2.6466 2.6466 2.8025 2.8025 2.9473 2.9473 3.1383 3.1383 3.2763 3.2763 3.4779 3.4779 3.6420 3.6420 3.7465 3.7465 3.8180 3.8180 3.9734 3.9734 4.1360 4.1360 6.3517 6.3517 6.6148 6.6148 6.8721 6.8721 7.0488 7.0488 7.2044 7.2044 7.4325 7.4325 7.9069 7.9069 k = 0.3026 0.2370-0.1987 ( 9272 PWs) bands (ev): -9.6520 -9.6520 -9.6325 -9.6325 -8.5635 -8.5635 -8.3445 -8.3445 -7.9606 -7.9606 -7.5950 -7.5950 -7.5017 -7.5017 -7.4032 -7.4032 -5.8105 -5.8105 -5.5427 -5.5427 -4.5263 -4.5263 -4.3005 -4.3005 -0.3277 -0.3277 -0.2497 -0.2497 -0.1758 -0.1758 0.0469 0.0469 0.3942 0.3942 0.5172 0.5172 0.8911 0.8911 1.1594 1.1594 1.2891 1.2891 1.7390 1.7390 1.8282 1.8282 1.9566 1.9566 2.3314 2.3314 2.6607 2.6607 2.8225 2.8225 2.9535 2.9535 3.1557 3.1557 3.2700 3.2700 3.4789 3.4789 3.6536 3.6536 3.7361 3.7361 3.8193 3.8193 3.9758 3.9758 4.1405 4.1405 6.3506 6.3506 6.6050 6.6050 6.8349 6.8349 7.0423 7.0423 7.2097 7.2097 7.3962 7.3962 7.8927 7.8927 k = 0.2895 0.2370-0.1987 ( 9274 PWs) bands (ev): -9.6886 -9.6886 -9.6703 -9.6703 -8.5486 -8.5486 -8.3154 -8.3154 -7.9842 -7.9842 -7.6046 -7.6046 -7.5044 -7.5044 -7.4033 -7.4033 -5.8267 -5.8267 -5.5558 -5.5558 -4.4734 -4.4734 -4.2507 -4.2507 -0.3109 -0.3109 -0.2338 -0.2338 -0.1861 -0.1861 0.0664 0.0664 0.4220 0.4220 0.5072 0.5072 0.9327 0.9327 1.1980 1.1980 1.3186 1.3186 1.7475 1.7475 1.8649 1.8649 2.0009 2.0009 2.3667 2.3667 2.6745 2.6745 2.8408 2.8408 2.9638 2.9638 3.1751 3.1751 3.2639 3.2639 3.4785 3.4785 3.6460 3.6460 3.7331 3.7331 3.8328 3.8328 3.9796 3.9796 4.1443 4.1443 6.3502 6.3502 6.5945 6.5945 6.7962 6.7962 7.0308 7.0308 7.2031 7.2031 7.3650 7.3650 7.8657 7.8657 k = 0.2763 0.2370-0.1987 ( 9276 PWs) bands (ev): -9.7240 -9.7240 -9.7067 -9.7067 -8.5356 -8.5356 -8.2888 -8.2888 -8.0066 -8.0066 -7.6144 -7.6144 -7.5077 -7.5077 -7.4038 -7.4038 -5.8407 -5.8407 -5.5671 -5.5671 -4.4216 -4.4216 -4.2020 -4.2020 -0.2931 -0.2931 -0.2296 -0.2296 -0.1868 -0.1868 0.0939 0.0939 0.4382 0.4382 0.5092 0.5092 0.9754 0.9754 1.2349 1.2349 1.3512 1.3512 1.7545 1.7545 1.9032 1.9032 2.0445 2.0445 2.4036 2.4036 2.6891 2.6891 2.8576 2.8576 2.9758 2.9758 3.1952 3.1952 3.2600 3.2600 3.4776 3.4776 3.6228 3.6228 3.7378 3.7378 3.8546 3.8546 3.9853 3.9853 4.1475 4.1475 6.3496 6.3496 6.5832 6.5832 6.7577 6.7577 7.0132 7.0132 7.1843 7.1843 7.3379 7.3379 7.8344 7.8344 k = 0.2632 0.2370-0.1987 ( 9280 PWs) bands (ev): -9.7582 -9.7582 -9.7418 -9.7418 -8.5246 -8.5246 -8.2652 -8.2652 -8.0270 -8.0270 -7.6243 -7.6243 -7.5116 -7.5116 -7.4047 -7.4047 -5.8526 -5.8526 -5.5767 -5.5767 -4.3711 -4.3711 -4.1546 -4.1546 -0.2788 -0.2788 -0.2413 -0.2413 -0.1654 -0.1654 0.1248 0.1248 0.4379 0.4379 0.5292 0.5292 1.0183 1.0183 1.2693 1.2693 1.3864 1.3864 1.7625 1.7625 1.9411 1.9411 2.0874 2.0874 2.4419 2.4419 2.7046 2.7046 2.8739 2.8739 2.9866 2.9866 3.2115 3.2115 3.2627 3.2627 3.4766 3.4766 3.5953 3.5953 3.7423 3.7423 3.8812 3.8812 3.9931 3.9931 4.1505 4.1505 6.3481 6.3481 6.5710 6.5710 6.7205 6.7205 6.9892 6.9892 7.1556 7.1556 7.3117 7.3117 7.8016 7.8016 k = 0.2500 0.2370-0.1987 ( 9274 PWs) bands (ev): -9.7911 -9.7911 -9.7754 -9.7754 -8.5153 -8.5153 -8.2454 -8.2454 -8.0447 -8.0447 -7.6344 -7.6344 -7.5159 -7.5159 -7.4060 -7.4060 -5.8625 -5.8625 -5.5846 -5.5846 -4.3222 -4.3222 -4.1084 -4.1084 -0.2876 -0.2876 -0.2337 -0.2337 -0.1350 -0.1350 0.1553 0.1553 0.4316 0.4316 0.5584 0.5584 1.0604 1.0604 1.3001 1.3001 1.4239 1.4239 1.7728 1.7728 1.9780 1.9780 2.1294 2.1294 2.4811 2.4811 2.7205 2.7205 2.8909 2.8909 2.9943 2.9943 3.2177 3.2177 3.2778 3.2778 3.4762 3.4762 3.5703 3.5703 3.7438 3.7438 3.9091 3.9091 4.0036 4.0036 4.1540 4.1540 6.3445 6.3445 6.5576 6.5576 6.6859 6.6859 6.9590 6.9590 7.1207 7.1207 7.2825 7.2825 7.7683 7.7683 k = 0.2368 0.2370-0.1987 ( 9270 PWs) bands (ev): -9.8227 -9.8227 -9.8076 -9.8076 -8.5076 -8.5076 -8.2305 -8.2305 -8.0583 -8.0583 -7.6447 -7.6447 -7.5206 -7.5206 -7.4076 -7.4076 -5.8706 -5.8706 -5.5911 -5.5911 -4.2750 -4.2750 -4.0637 -4.0637 -0.3120 -0.3120 -0.2090 -0.2090 -0.0999 -0.0999 0.1814 0.1814 0.4286 0.4286 0.5902 0.5902 1.1008 1.1008 1.3261 1.3261 1.4641 1.4641 1.7855 1.7855 2.0140 2.0140 2.1707 2.1707 2.5207 2.5207 2.7356 2.7356 2.9087 2.9087 2.9976 2.9976 3.2179 3.2179 3.3006 3.3006 3.4772 3.4772 3.5518 3.5518 3.7420 3.7420 3.9344 3.9344 4.0173 4.0173 4.1593 4.1593 6.3378 6.3378 6.5423 6.5423 6.6553 6.6553 6.9231 6.9231 7.0822 7.0822 7.2479 7.2479 7.7347 7.7347 k = 0.2237 0.2370-0.1987 ( 9266 PWs) bands (ev): -9.8528 -9.8528 -9.8383 -9.8383 -8.5013 -8.5013 -8.2218 -8.2218 -8.0664 -8.0664 -7.6552 -7.6552 -7.5256 -7.5256 -7.4095 -7.4095 -5.8769 -5.8769 -5.5962 -5.5962 -4.2298 -4.2298 -4.0205 -4.0205 -0.3388 -0.3388 -0.1786 -0.1786 -0.0608 -0.0608 0.1993 0.1993 0.4341 0.4341 0.6225 0.6225 1.1379 1.1379 1.3472 1.3472 1.5073 1.5073 1.8002 1.8002 2.0490 2.0490 2.2115 2.2115 2.5604 2.5604 2.7482 2.7482 2.9259 2.9259 2.9977 2.9977 3.2189 3.2189 3.3239 3.3239 3.4806 3.4806 3.5419 3.5419 3.7373 3.7373 3.9542 3.9542 4.0345 4.0345 4.1679 4.1679 6.3269 6.3269 6.5236 6.5236 6.6308 6.6308 6.8824 6.8824 7.0418 7.0418 7.2076 7.2076 7.7003 7.7003 k = 0.2105 0.2370-0.1987 ( 9268 PWs) bands (ev): -9.8814 -9.8814 -9.8675 -9.8675 -8.4963 -8.4963 -8.2203 -8.2203 -8.0680 -8.0680 -7.6659 -7.6659 -7.5308 -7.5308 -7.4117 -7.4117 -5.8816 -5.8816 -5.6002 -5.6002 -4.1868 -4.1868 -3.9790 -3.9790 -0.3656 -0.3656 -0.1442 -0.1442 -0.0181 -0.0181 0.2068 0.2068 0.4505 0.4505 0.6543 0.6543 1.1703 1.1703 1.3639 1.3639 1.5535 1.5535 1.8156 1.8156 2.0835 2.0835 2.2516 2.2516 2.5994 2.5994 2.7561 2.7561 2.9377 2.9377 3.0003 3.0003 3.2246 3.2246 3.3443 3.3443 3.4869 3.4869 3.5415 3.5415 3.7300 3.7300 3.9676 3.9676 4.0538 4.0538 4.1811 4.1811 6.3111 6.3111 6.5005 6.5005 6.6136 6.6136 6.8380 6.8380 7.0004 7.0004 7.1620 7.1620 7.6644 7.6644 k = 0.1974 0.2370-0.1987 ( 9270 PWs) bands (ev): -9.9086 -9.9086 -9.8951 -9.8951 -8.4924 -8.4924 -8.2252 -8.2252 -8.0635 -8.0635 -7.6768 -7.6768 -7.5361 -7.5361 -7.4141 -7.4141 -5.8850 -5.8850 -5.6032 -5.6032 -4.1460 -4.1460 -3.9391 -3.9391 -0.3916 -0.3916 -0.1064 -0.1064 0.0279 0.0279 0.2049 0.2049 0.4767 0.4767 0.6853 0.6853 1.1963 1.1963 1.3777 1.3777 1.6023 1.6023 1.8307 1.8307 2.1178 2.1178 2.2909 2.2909 2.6361 2.6361 2.7567 2.7567 2.9394 2.9394 3.0135 3.0135 3.2369 3.2369 3.3609 3.3609 3.4954 3.4954 3.5503 3.5503 3.7207 3.7207 3.9756 3.9756 4.0732 4.0732 4.1998 4.1998 6.2900 6.2900 6.4729 6.4729 6.6031 6.6031 6.7912 6.7912 6.9585 6.9585 7.1126 7.1126 7.6256 7.6256 k = 0.1842 0.2370-0.1987 ( 9272 PWs) bands (ev): -9.9342 -9.9342 -9.9210 -9.9210 -8.4894 -8.4894 -8.2349 -8.2349 -8.0547 -8.0547 -7.6879 -7.6879 -7.5414 -7.5414 -7.4166 -7.4166 -5.8870 -5.8870 -5.6052 -5.6052 -4.1077 -4.1077 -3.9010 -3.9010 -0.4164 -0.4164 -0.0653 -0.0653 0.0773 0.0773 0.1966 0.1966 0.5096 0.5096 0.7151 0.7151 1.2147 1.2147 1.3899 1.3899 1.6531 1.6531 1.8442 1.8442 2.1522 2.1522 2.3285 2.3285 2.6656 2.6656 2.7516 2.7516 2.9372 2.9372 3.0363 3.0363 3.2560 3.2560 3.3744 3.3744 3.5048 3.5048 3.5666 3.5666 3.7098 3.7098 3.9799 3.9799 4.0915 4.0915 4.2229 4.2229 6.2641 6.2641 6.4421 6.4421 6.5968 6.5968 6.7438 6.7438 6.9161 6.9161 7.0612 7.0612 7.5822 7.5822 k = 0.1711 0.2370-0.1987 ( 9276 PWs) bands (ev): -9.9581 -9.9581 -9.9453 -9.9453 -8.4873 -8.4873 -8.2473 -8.2473 -8.0433 -8.0433 -7.6991 -7.6991 -7.5467 -7.5467 -7.4192 -7.4192 -5.8880 -5.8880 -5.6065 -5.6065 -4.0720 -4.0720 -3.8649 -3.8649 -0.4399 -0.4399 -0.0211 -0.0211 0.1294 0.1294 0.1849 0.1849 0.5462 0.5462 0.7437 0.7437 1.2251 1.2251 1.4009 1.4009 1.7049 1.7049 1.8557 1.8557 2.1866 2.1866 2.3634 2.3634 2.6717 2.6717 2.7568 2.7568 2.9389 2.9389 3.0637 3.0637 3.2811 3.2811 3.3859 3.3859 3.5149 3.5149 3.5874 3.5874 3.6977 3.6977 3.9825 3.9825 4.1084 4.1084 4.2487 4.2487 6.2337 6.2337 6.4092 6.4092 6.5909 6.5909 6.6985 6.6985 6.8732 6.8732 7.0095 7.0095 7.5333 7.5333 k = 0.1579 0.2370-0.1987 ( 9288 PWs) bands (ev): -9.9805 -9.9805 -9.9679 -9.9679 -8.4857 -8.4857 -8.2609 -8.2609 -8.0307 -8.0307 -7.7105 -7.7105 -7.5518 -7.5518 -7.4219 -7.4219 -5.8882 -5.8882 -5.6072 -5.6072 -4.0388 -4.0388 -3.8308 -3.8308 -0.4619 -0.4619 0.0256 0.0256 0.1673 0.1673 0.1887 0.1887 0.5840 0.5840 0.7707 0.7707 1.2283 1.2283 1.4102 1.4102 1.7556 1.7556 1.8661 1.8661 2.2210 2.2210 2.3928 2.3928 2.6489 2.6489 2.7822 2.7822 2.9465 2.9465 3.0929 3.0929 3.3108 3.3108 3.3961 3.3961 3.5261 3.5261 3.6095 3.6095 3.6851 3.6851 3.9850 3.9850 4.1242 4.1242 4.2753 4.2753 6.1996 6.1996 6.3748 6.3748 6.5796 6.5796 6.6605 6.6605 6.8297 6.8297 6.9595 6.9595 7.4786 7.4786 k = 0.1447 0.2370-0.1987 ( 9286 PWs) bands (ev): -10.0012 -10.0012 -9.9888 -9.9888 -8.4847 -8.4847 -8.2750 -8.2750 -8.0175 -8.0175 -7.7220 -7.7220 -7.5568 -7.5568 -7.4245 -7.4245 -5.8875 -5.8875 -5.6073 -5.6073 -4.0084 -4.0084 -3.7988 -3.7988 -0.4823 -0.4823 0.0740 0.0740 0.1559 0.1559 0.2450 0.2450 0.6217 0.6217 0.7961 0.7961 1.2253 1.2253 1.4166 1.4166 1.7995 1.7995 1.8802 1.8802 2.2547 2.2547 2.4120 2.4120 2.6189 2.6189 2.8153 2.8153 2.9588 2.9588 3.1225 3.1225 3.3424 3.3424 3.4063 3.4063 3.5388 3.5388 3.6307 3.6307 3.6729 3.6729 3.9888 3.9888 4.1388 4.1388 4.3011 4.3011 6.1626 6.1626 6.3393 6.3393 6.5559 6.5559 6.6369 6.6369 6.7856 6.7856 6.9127 6.9127 7.4168 7.4168 k = 0.1316 0.2370-0.1987 ( 9280 PWs) bands (ev): -10.0202 -10.0202 -10.0080 -10.0080 -8.4840 -8.4840 -8.2888 -8.2888 -8.0044 -8.0044 -7.7335 -7.7335 -7.5616 -7.5616 -7.4271 -7.4271 -5.8864 -5.8864 -5.6070 -5.6070 -3.9807 -3.9807 -3.7691 -3.7691 -0.5010 -0.5010 0.1174 0.1174 0.1499 0.1499 0.3058 0.3058 0.6581 0.6581 0.8199 0.8199 1.2176 1.2176 1.4189 1.4189 1.8241 1.8241 1.9096 1.9096 2.2861 2.2861 2.4144 2.4144 2.5992 2.5992 2.8499 2.8499 2.9737 2.9737 3.1513 3.1513 3.3715 3.3715 3.4192 3.4192 3.5534 3.5534 3.6459 3.6459 3.6657 3.6657 3.9949 3.9949 4.1522 4.1522 4.3251 4.3251 6.1234 6.1234 6.3028 6.3028 6.5216 6.5216 6.6256 6.6256 6.7416 6.7416 6.8701 6.8701 7.3490 7.3490 k = 0.1184 0.2370-0.1987 ( 9280 PWs) bands (ev): -10.0374 -10.0374 -10.0254 -10.0254 -8.4836 -8.4836 -8.3020 -8.3020 -7.9915 -7.9915 -7.7449 -7.7449 -7.5660 -7.5660 -7.4295 -7.4295 -5.8848 -5.8848 -5.6065 -5.6065 -3.9557 -3.9557 -3.7418 -3.7418 -0.5181 -0.5181 0.1203 0.1203 0.1865 0.1865 0.3689 0.3689 0.6924 0.6924 0.8418 0.8418 1.2060 1.2060 1.4160 1.4160 1.8286 1.8286 1.9547 1.9547 2.3081 2.3081 2.4029 2.4029 2.5978 2.5978 2.8845 2.8845 2.9895 2.9895 3.1781 3.1781 3.3901 3.3901 3.4408 3.4408 3.5704 3.5704 3.6418 3.6418 3.6772 3.6772 4.0038 4.0038 4.1641 4.1641 4.3463 4.3463 6.0830 6.0830 6.2651 6.2651 6.4851 6.4851 6.6183 6.6183 6.6992 6.6992 6.8321 6.8321 7.2787 7.2787 k = 0.1053 0.2370-0.1987 ( 9278 PWs) bands (ev): -10.0529 -10.0529 -10.0410 -10.0410 -8.4834 -8.4834 -8.3144 -8.3144 -7.9789 -7.9789 -7.7563 -7.7563 -7.5701 -7.5701 -7.4319 -7.4319 -5.8830 -5.8830 -5.6058 -5.6058 -3.9335 -3.9335 -3.7170 -3.7170 -0.5334 -0.5334 0.1091 0.1091 0.2392 0.2392 0.4339 0.4339 0.7240 0.7240 0.8619 0.8619 1.1913 1.1913 1.4070 1.4070 1.8232 1.8232 2.0049 2.0049 2.3019 2.3019 2.4040 2.4040 2.6094 2.6094 2.9183 2.9183 3.0047 3.0047 3.2019 3.2019 3.3976 3.3976 3.4696 3.4696 3.5904 3.5904 3.6313 3.6313 3.6949 3.6949 4.0152 4.0152 4.1747 4.1747 4.3643 4.3643 6.0424 6.0424 6.2266 6.2266 6.4508 6.4508 6.6092 6.6092 6.6618 6.6618 6.7987 6.7987 7.2091 7.2091 k = 0.0921 0.2370-0.1987 ( 9276 PWs) bands (ev): -10.0666 -10.0666 -10.0548 -10.0548 -8.4832 -8.4832 -8.3257 -8.3257 -7.9669 -7.9669 -7.7674 -7.7674 -7.5739 -7.5739 -7.4340 -7.4340 -5.8811 -5.8811 -5.6049 -5.6049 -3.9140 -3.9140 -3.6948 -3.6948 -0.5469 -0.5469 0.0977 0.0977 0.2935 0.2935 0.5000 0.5000 0.7524 0.7524 0.8802 0.8802 1.1742 1.1742 1.3915 1.3915 1.8132 1.8132 2.0542 2.0542 2.2681 2.2681 2.4270 2.4270 2.6260 2.6260 2.9505 2.9505 3.0185 3.0185 3.2217 3.2217 3.3998 3.3998 3.4978 3.4978 3.6130 3.6130 3.6223 3.6223 3.7128 3.7128 4.0286 4.0286 4.1841 4.1841 4.3785 4.3785 6.0027 6.0027 6.1876 6.1876 6.4208 6.4208 6.5913 6.5913 6.6362 6.6362 6.7696 6.7696 7.1428 7.1428 k = 0.0789 0.2370-0.1987 ( 9274 PWs) bands (ev): -10.0786 -10.0786 -10.0668 -10.0668 -8.4831 -8.4831 -8.3359 -8.3359 -7.9554 -7.9554 -7.7782 -7.7782 -7.5772 -7.5772 -7.4360 -7.4360 -5.8792 -5.8792 -5.6040 -5.6040 -3.8971 -3.8971 -3.6753 -3.6753 -0.5587 -0.5587 0.0874 0.0874 0.3476 0.3476 0.5665 0.5665 0.7771 0.7771 0.8971 0.8971 1.1552 1.1552 1.3691 1.3691 1.8010 1.8010 2.0986 2.0986 2.2292 2.2292 2.4569 2.4569 2.6433 2.6433 2.9800 2.9800 3.0305 3.0305 3.2374 3.2374 3.3993 3.3993 3.5211 3.5211 3.6110 3.6110 3.6433 3.6433 3.7300 3.7300 4.0432 4.0432 4.1927 4.1927 4.3889 4.3889 5.9650 5.9650 6.1489 6.1489 6.3957 6.3957 6.5638 6.5638 6.6244 6.6244 6.7442 6.7442 7.0816 7.0816 k = 0.0658 0.2370-0.1987 ( 9280 PWs) bands (ev): -10.0887 -10.0887 -10.0770 -10.0770 -8.4830 -8.4830 -8.3447 -8.3447 -7.9447 -7.9447 -7.7885 -7.7885 -7.5801 -7.5801 -7.4377 -7.4377 -5.8774 -5.8774 -5.6032 -5.6032 -3.8829 -3.8829 -3.6587 -3.6587 -0.5687 -0.5687 0.0784 0.0784 0.3999 0.3999 0.6321 0.6321 0.7977 0.7977 0.9129 0.9129 1.1348 1.1348 1.3399 1.3399 1.7880 1.7880 2.1269 2.1269 2.2038 2.2038 2.4869 2.4869 2.6593 2.6593 3.0048 3.0048 3.0414 3.0414 3.2492 3.2492 3.3973 3.3973 3.5368 3.5368 3.6059 3.6059 3.6732 3.6732 3.7457 3.7457 4.0577 4.0577 4.2013 4.2013 4.3954 4.3954 5.9305 5.9305 6.1120 6.1120 6.3758 6.3758 6.5354 6.5354 6.6187 6.6187 6.7224 6.7224 7.0268 7.0268 k = 0.0526 0.2370-0.1987 ( 9284 PWs) bands (ev): -10.0970 -10.0970 -10.0854 -10.0854 -8.4829 -8.4829 -8.3521 -8.3521 -7.9348 -7.9348 -7.7981 -7.7981 -7.5824 -7.5824 -7.4391 -7.4391 -5.8758 -5.8758 -5.6024 -5.6024 -3.8714 -3.8714 -3.6450 -3.6450 -0.5768 -0.5768 0.0709 0.0709 0.4488 0.4488 0.6946 0.6946 0.8140 0.8140 0.9287 0.9287 1.1138 1.1138 1.3047 1.3047 1.7757 1.7757 2.1191 2.1191 2.2143 2.2143 2.5143 2.5143 2.6730 2.6730 3.0228 3.0228 3.0523 3.0523 3.2585 3.2585 3.3946 3.3946 3.5422 3.5422 3.6073 3.6073 3.7030 3.7030 3.7590 3.7590 4.0706 4.0706 4.2104 4.2104 4.3981 4.3981 5.9003 5.9003 6.0784 6.0784 6.3608 6.3608 6.5103 6.5103 6.6157 6.6157 6.7037 6.7037 6.9799 6.9799 k = 0.0395 0.2370-0.1987 ( 9282 PWs) bands (ev): -10.1035 -10.1035 -10.0919 -10.0919 -8.4828 -8.4828 -8.3580 -8.3580 -7.9262 -7.9262 -7.8066 -7.8066 -7.5843 -7.5843 -7.4402 -7.4402 -5.8745 -5.8745 -5.6018 -5.6018 -3.8624 -3.8624 -3.6342 -3.6342 -0.5832 -0.5832 0.0649 0.0649 0.4921 0.4921 0.7505 0.7505 0.8258 0.8258 0.9466 0.9466 1.0933 1.0933 1.2653 1.2653 1.7649 1.7649 2.0961 2.0961 2.2405 2.2405 2.5374 2.5374 2.6840 2.6840 3.0345 3.0345 3.0621 3.0621 3.2664 3.2664 3.3918 3.3918 3.5386 3.5386 3.6149 3.6149 3.7298 3.7298 3.7691 3.7691 4.0808 4.0808 4.2203 4.2203 4.3978 4.3978 5.8754 5.8754 6.0498 6.0498 6.3501 6.3501 6.4901 6.4901 6.6147 6.6147 6.6881 6.6881 6.9419 6.9419 k = 0.0263 0.2370-0.1987 ( 9282 PWs) bands (ev): -10.1081 -10.1081 -10.0965 -10.0965 -8.4827 -8.4827 -8.3623 -8.3623 -7.9192 -7.9192 -7.8135 -7.8135 -7.5857 -7.5857 -7.4410 -7.4410 -5.8735 -5.8735 -5.6013 -5.6013 -3.8560 -3.8560 -3.6265 -3.6265 -0.5877 -0.5877 0.0607 0.0607 0.5270 0.5270 0.7943 0.7943 0.8337 0.8337 0.9694 0.9694 1.0738 1.0738 1.2251 1.2251 1.7566 1.7566 2.0763 2.0763 2.2634 2.2634 2.5547 2.5547 2.6920 2.6920 3.0424 3.0424 3.0683 3.0683 3.2734 3.2734 3.3896 3.3896 3.5314 3.5314 3.6239 3.6239 3.7516 3.7516 3.7756 3.7756 4.0877 4.0877 4.2300 4.2300 4.3956 4.3956 5.8569 5.8569 6.0279 6.0279 6.3432 6.3432 6.4754 6.4754 6.6150 6.6150 6.6759 6.6759 6.9140 6.9140 k = 0.0132 0.2370-0.1987 ( 9288 PWs) bands (ev): -10.1109 -10.1109 -10.0993 -10.0993 -8.4827 -8.4827 -8.3649 -8.3649 -7.9146 -7.9146 -7.8181 -7.8181 -7.5865 -7.5865 -7.4415 -7.4415 -5.8729 -5.8729 -5.6010 -5.6010 -3.8522 -3.8522 -3.6219 -3.6219 -0.5905 -0.5905 0.0581 0.0581 0.5500 0.5500 0.8194 0.8194 0.8398 0.8398 0.9983 0.9983 1.0540 1.0540 1.1917 1.1917 1.7513 1.7513 2.0638 2.0638 2.2783 2.2783 2.5654 2.5654 2.6969 2.6969 3.0478 3.0478 3.0705 3.0705 3.2786 3.2786 3.3883 3.3883 3.5251 3.5251 3.6306 3.6306 3.7669 3.7669 3.7780 3.7780 4.0915 4.0915 4.2375 4.2375 4.3930 4.3930 5.8455 5.8455 6.0142 6.0142 6.3394 6.3394 6.4664 6.4664 6.6160 6.6160 6.6677 6.6677 6.8969 6.8969 k = 0.0000 0.2370-0.1987 ( 9298 PWs) bands (ev): -10.1118 -10.1118 -10.1003 -10.1003 -8.4827 -8.4827 -8.3657 -8.3657 -7.9130 -7.9130 -7.8197 -7.8197 -7.5868 -7.5868 -7.4417 -7.4417 -5.8727 -5.8727 -5.6009 -5.6009 -3.8509 -3.8509 -3.6203 -3.6203 -0.5914 -0.5914 0.0572 0.0572 0.5581 0.5581 0.8260 0.8260 0.8433 0.8433 1.0240 1.0240 1.0340 1.0340 1.1779 1.1779 1.7495 1.7495 2.0595 2.0595 2.2835 2.2835 2.5690 2.5690 2.6986 2.6986 3.0500 3.0500 3.0707 3.0707 3.2806 3.2806 3.3879 3.3879 3.5226 3.5226 3.6330 3.6330 3.7750 3.7750 3.7759 3.7759 4.0927 4.0927 4.2404 4.2404 4.3919 4.3919 5.8417 5.8417 6.0095 6.0095 6.3381 6.3381 6.4634 6.4634 6.6166 6.6166 6.6648 6.6648 6.8912 6.8912 k = 0.0000 0.2370-0.1987 ( 9298 PWs) bands (ev): -10.1118 -10.1118 -10.1003 -10.1003 -8.4827 -8.4827 -8.3657 -8.3657 -7.9130 -7.9130 -7.8197 -7.8197 -7.5868 -7.5868 -7.4417 -7.4417 -5.8727 -5.8727 -5.6009 -5.6009 -3.8509 -3.8509 -3.6203 -3.6203 -0.5914 -0.5914 0.0572 0.0572 0.5581 0.5581 0.8260 0.8260 0.8433 0.8433 1.0240 1.0240 1.0340 1.0340 1.1779 1.1779 1.7495 1.7495 2.0595 2.0595 2.2835 2.2835 2.5690 2.5690 2.6986 2.6986 3.0500 3.0500 3.0707 3.0707 3.2806 3.2806 3.3879 3.3879 3.5226 3.5226 3.6330 3.6330 3.7750 3.7750 3.7759 3.7759 4.0927 4.0927 4.2404 4.2404 4.3919 4.3919 5.8417 5.8417 6.0095 6.0095 6.3381 6.3381 6.4634 6.4634 6.6166 6.6166 6.6648 6.6648 6.8912 6.8912 k = 0.0000 0.2437-0.1907 ( 9302 PWs) bands (ev): -10.1121 -10.1121 -10.1001 -10.1001 -8.4823 -8.4823 -8.3650 -8.3650 -7.9135 -7.9135 -7.8198 -7.8198 -7.5871 -7.5871 -7.4424 -7.4424 -5.8722 -5.8722 -5.6005 -5.6005 -3.8505 -3.8505 -3.6213 -3.6213 -0.5909 -0.5909 0.0568 0.0568 0.5574 0.5574 0.8268 0.8268 0.8433 0.8433 1.0207 1.0207 1.0361 1.0361 1.1805 1.1805 1.7501 1.7501 2.0607 2.0607 2.2831 2.2831 2.5682 2.5682 2.6970 2.6970 3.0504 3.0504 3.0705 3.0705 3.2802 3.2802 3.3870 3.3870 3.5226 3.5226 3.6325 3.6325 3.7690 3.7690 3.7809 3.7809 4.0923 4.0923 4.2392 4.2392 4.3927 4.3927 5.8427 5.8427 6.0099 6.0099 6.3384 6.3384 6.4634 6.4634 6.6177 6.6177 6.6648 6.6648 6.8929 6.8929 k = 0.0000 0.2504-0.1827 ( 9282 PWs) bands (ev): -10.1128 -10.1128 -10.0996 -10.0996 -8.4810 -8.4810 -8.3629 -8.3629 -7.9149 -7.9149 -7.8201 -7.8201 -7.5880 -7.5880 -7.4447 -7.4447 -5.8706 -5.8706 -5.5993 -5.5993 -3.8490 -3.8490 -3.6242 -3.6242 -0.5894 -0.5894 0.0554 0.0554 0.5553 0.5553 0.8276 0.8276 0.8447 0.8447 1.0144 1.0144 1.0394 1.0394 1.1881 1.1881 1.7519 1.7519 2.0640 2.0640 2.2821 2.2821 2.5657 2.5657 2.6926 2.6926 3.0513 3.0513 3.0700 3.0700 3.2790 3.2790 3.3845 3.3845 3.5226 3.5226 3.6309 3.6309 3.7617 3.7617 3.7854 3.7854 4.0912 4.0912 4.2357 4.2357 4.3949 4.3949 5.8456 5.8456 6.0112 6.0112 6.3392 6.3392 6.4634 6.4634 6.6211 6.6211 6.6648 6.6648 6.8982 6.8982 k = 0.5000 0.2235 0.2148 ( 9232 PWs) bands (ev): -9.0264 -9.0264 -9.0256 -9.0256 -8.9625 -8.9625 -8.9618 -8.9618 -7.6075 -7.6075 -7.6074 -7.6074 -7.4601 -7.4601 -7.4601 -7.4601 -5.3174 -5.3174 -5.3173 -5.3173 -5.0792 -5.0792 -5.0791 -5.0791 -0.4312 -0.4312 -0.4269 -0.4269 -0.1272 -0.1272 -0.1239 -0.1239 0.5321 0.5321 0.5403 0.5403 0.6248 0.6248 0.6260 0.6260 1.3306 1.3306 1.3342 1.3342 1.5405 1.5405 1.5513 1.5513 2.2338 2.2338 2.2349 2.2349 2.8779 2.8779 2.9083 2.9083 3.1749 3.1749 3.1815 3.1815 3.3889 3.3889 3.4005 3.4005 3.8595 3.8595 3.8755 3.8755 4.0484 4.0484 4.0977 4.0977 6.5834 6.5834 6.5841 6.5841 6.8236 6.8236 6.8285 6.8285 7.5163 7.5163 7.5213 7.5213 8.0074 8.0074 k = 0.5000 0.2104 0.2148 ( 9236 PWs) bands (ev): -9.0260 -9.0260 -9.0254 -9.0254 -8.9629 -8.9629 -8.9622 -8.9622 -7.6069 -7.6069 -7.6069 -7.6069 -7.4604 -7.4604 -7.4603 -7.4603 -5.3175 -5.3175 -5.3169 -5.3169 -5.0796 -5.0796 -5.0795 -5.0795 -0.4319 -0.4319 -0.4263 -0.4263 -0.1283 -0.1283 -0.1232 -0.1232 0.5256 0.5256 0.5315 0.5315 0.6241 0.6241 0.6335 0.6335 1.3237 1.3237 1.3381 1.3381 1.5484 1.5484 1.5584 1.5584 2.2314 2.2314 2.2402 2.2402 2.8673 2.8673 2.9054 2.9054 3.1792 3.1792 3.1838 3.1838 3.3900 3.3900 3.4032 3.4032 3.8646 3.8646 3.8775 3.8775 4.0432 4.0432 4.1086 4.1086 6.5767 6.5767 6.5807 6.5807 6.8235 6.8235 6.8326 6.8326 7.5087 7.5087 7.5094 7.5094 7.9907 7.9907 k = 0.5000 0.1972 0.2148 ( 9232 PWs) bands (ev): -9.0255 -9.0255 -9.0251 -9.0251 -8.9635 -8.9635 -8.9630 -8.9630 -7.6058 -7.6058 -7.6057 -7.6057 -7.4610 -7.4610 -7.4610 -7.4610 -5.3172 -5.3172 -5.3160 -5.3160 -5.0805 -5.0805 -5.0805 -5.0805 -0.4320 -0.4320 -0.4251 -0.4251 -0.1299 -0.1299 -0.1231 -0.1231 0.5155 0.5155 0.5185 0.5185 0.6243 0.6243 0.6406 0.6406 1.3185 1.3185 1.3408 1.3408 1.5621 1.5621 1.5685 1.5685 2.2302 2.2302 2.2453 2.2453 2.8558 2.8558 2.9021 2.9021 3.1846 3.1846 3.1854 3.1854 3.3929 3.3929 3.4054 3.4054 3.8709 3.8709 3.8807 3.8807 4.0392 4.0392 4.1199 4.1199 6.5697 6.5697 6.5766 6.5766 6.8248 6.8248 6.8375 6.8375 7.4892 7.4892 7.4948 7.4948 7.9684 7.9684 k = 0.5000 0.1841 0.2148 ( 9242 PWs) bands (ev): -9.0248 -9.0248 -9.0245 -9.0245 -8.9644 -8.9644 -8.9640 -8.9640 -7.6041 -7.6041 -7.6039 -7.6039 -7.4621 -7.4621 -7.4621 -7.4621 -5.3165 -5.3165 -5.3149 -5.3149 -5.0819 -5.0819 -5.0819 -5.0819 -0.4316 -0.4316 -0.4234 -0.4234 -0.1321 -0.1321 -0.1235 -0.1235 0.5034 0.5034 0.5035 0.5035 0.6238 0.6238 0.6462 0.6462 1.3158 1.3158 1.3431 1.3431 1.5795 1.5795 1.5800 1.5800 2.2316 2.2316 2.2508 2.2508 2.8435 2.8435 2.8990 2.8990 3.1860 3.1860 3.1906 3.1906 3.3973 3.3973 3.4065 3.4065 3.8784 3.8784 3.8850 3.8850 4.0364 4.0364 4.1310 4.1310 6.5631 6.5631 6.5723 6.5723 6.8273 6.8273 6.8431 6.8431 7.4646 7.4646 7.4742 7.4742 7.9384 7.9384 k = 0.5000 0.1709 0.2148 ( 9242 PWs) bands (ev): -9.0239 -9.0239 -9.0238 -9.0238 -8.9655 -8.9655 -8.9653 -8.9653 -7.6019 -7.6019 -7.6016 -7.6016 -7.4636 -7.4636 -7.4636 -7.4636 -5.3155 -5.3155 -5.3134 -5.3134 -5.0838 -5.0838 -5.0837 -5.0837 -0.4307 -0.4307 -0.4213 -0.4213 -0.1350 -0.1350 -0.1246 -0.1246 0.4880 0.4880 0.4903 0.4903 0.6217 0.6217 0.6497 0.6497 1.3162 1.3162 1.3455 1.3455 1.5896 1.5896 1.5999 1.5999 2.2368 2.2368 2.2574 2.2574 2.8306 2.8306 2.8966 2.8966 3.1855 3.1855 3.1969 3.1969 3.4028 3.4028 3.4065 3.4065 3.8873 3.8873 3.8901 3.8901 4.0346 4.0346 4.1417 4.1417 6.5570 6.5570 6.5682 6.5682 6.8308 6.8308 6.8492 6.8492 7.4369 7.4369 7.4498 7.4498 7.9003 7.9003 k = 0.5000 0.1578 0.2148 ( 9234 PWs) bands (ev): -9.0229 -9.0229 -9.0228 -9.0228 -8.9669 -8.9669 -8.9668 -8.9668 -7.5991 -7.5991 -7.5987 -7.5987 -7.4656 -7.4656 -7.4655 -7.4655 -5.3142 -5.3142 -5.3117 -5.3117 -5.0860 -5.0860 -5.0858 -5.0858 -0.4292 -0.4292 -0.4185 -0.4185 -0.1387 -0.1387 -0.1266 -0.1266 0.4732 0.4732 0.4774 0.4774 0.6177 0.6177 0.6506 0.6506 1.3196 1.3196 1.3487 1.3487 1.5972 1.5972 1.6198 1.6198 2.2470 2.2470 2.2664 2.2664 2.8174 2.8174 2.8951 2.8951 3.1840 3.1840 3.2032 3.2032 3.4052 3.4052 3.4083 3.4083 3.8957 3.8957 3.8973 3.8973 4.0336 4.0336 4.1517 4.1517 6.5518 6.5518 6.5647 6.5647 6.8352 6.8352 6.8556 6.8556 7.4077 7.4077 7.4234 7.4234 7.8547 7.8547 k = 0.5000 0.1446 0.2148 ( 9234 PWs) bands (ev): -9.0217 -9.0217 -9.0216 -9.0216 -8.9685 -8.9685 -8.9685 -8.9685 -7.5958 -7.5958 -7.5954 -7.5954 -7.4679 -7.4679 -7.4678 -7.4678 -5.3127 -5.3127 -5.3096 -5.3096 -5.0886 -5.0886 -5.0883 -5.0883 -0.4272 -0.4272 -0.4153 -0.4153 -0.1434 -0.1434 -0.1295 -0.1295 0.4598 0.4598 0.4653 0.4653 0.6120 0.6120 0.6493 0.6493 1.3260 1.3260 1.3528 1.3528 1.6010 1.6010 1.6379 1.6379 2.2630 2.2630 2.2787 2.2787 2.8041 2.8041 2.8945 2.8945 3.1817 3.1817 3.2091 3.2091 3.4024 3.4024 3.4131 3.4131 3.9016 3.9016 3.9086 3.9086 4.0333 4.0333 4.1607 4.1607 6.5477 6.5477 6.5622 6.5622 6.8404 6.8404 6.8623 6.8623 7.3784 7.3784 7.3964 7.3964 7.8033 7.8033 k = 0.5000 0.1315 0.2148 ( 9232 PWs) bands (ev): -9.0205 -9.0205 -9.0202 -9.0202 -8.9705 -8.9705 -8.9703 -8.9703 -7.5921 -7.5921 -7.5916 -7.5916 -7.4706 -7.4706 -7.4704 -7.4704 -5.3109 -5.3109 -5.3074 -5.3074 -5.0915 -5.0915 -5.0911 -5.0911 -0.4245 -0.4245 -0.4115 -0.4115 -0.1491 -0.1491 -0.1335 -0.1335 0.4482 0.4482 0.4546 0.4546 0.6046 0.6046 0.6459 0.6459 1.3347 1.3347 1.3576 1.3576 1.6006 1.6006 1.6527 1.6527 2.2850 2.2850 2.2954 2.2954 2.7908 2.7908 2.8948 2.8948 3.1790 3.1790 3.2142 3.2142 3.3979 3.3979 3.4161 3.4161 3.9077 3.9077 3.9210 3.9210 4.0334 4.0334 4.1686 4.1686 6.5448 6.5448 6.5608 6.5608 6.8465 6.8465 6.8697 6.8697 7.3496 7.3496 7.3700 7.3700 7.7479 7.7479 k = 0.5000 0.1183 0.2148 ( 9234 PWs) bands (ev): -9.0191 -9.0191 -9.0186 -9.0186 -8.9727 -8.9727 -8.9723 -8.9723 -7.5881 -7.5881 -7.5875 -7.5875 -7.4736 -7.4736 -7.4734 -7.4734 -5.3089 -5.3089 -5.3050 -5.3050 -5.0945 -5.0945 -5.0940 -5.0940 -0.4214 -0.4214 -0.4072 -0.4072 -0.1557 -0.1557 -0.1386 -0.1386 0.4389 0.4389 0.4456 0.4456 0.5961 0.5961 0.6409 0.6409 1.3454 1.3454 1.3631 1.3631 1.5959 1.5959 1.6633 1.6633 2.3127 2.3127 2.3169 2.3169 2.7778 2.7778 2.8958 2.8958 3.1760 3.1760 3.2186 3.2186 3.3917 3.3917 3.4167 3.4167 3.9139 3.9139 3.9344 3.9344 4.0337 4.0337 4.1750 4.1750 6.5431 6.5431 6.5609 6.5609 6.8535 6.8535 6.8778 6.8778 7.3221 7.3221 7.3447 7.3447 7.6905 7.6905 k = 0.5000 0.1052 0.2148 ( 9238 PWs) bands (ev): -9.0175 -9.0175 -9.0168 -9.0168 -8.9750 -8.9750 -8.9744 -8.9744 -7.5837 -7.5837 -7.5830 -7.5830 -7.4770 -7.4770 -7.4766 -7.4766 -5.3069 -5.3069 -5.3025 -5.3025 -5.0977 -5.0977 -5.0970 -5.0970 -0.4177 -0.4177 -0.4025 -0.4025 -0.1633 -0.1633 -0.1447 -0.1447 0.4319 0.4319 0.4385 0.4385 0.5868 0.5868 0.6348 0.6348 1.3574 1.3574 1.3689 1.3689 1.5875 1.5875 1.6695 1.6695 2.3432 2.3432 2.3453 2.3453 2.7651 2.7651 2.8972 2.8972 3.1731 3.1731 3.2222 3.2222 3.3834 3.3834 3.4144 3.4144 3.9202 3.9202 3.9485 3.9485 4.0339 4.0339 4.1801 4.1801 6.5426 6.5426 6.5623 6.5623 6.8617 6.8617 6.8871 6.8871 7.2959 7.2959 7.3209 7.3209 7.6326 7.6326 k = 0.5000 0.0920 0.2148 ( 9244 PWs) bands (ev): -9.0159 -9.0159 -9.0149 -9.0149 -8.9775 -8.9775 -8.9767 -8.9767 -7.5792 -7.5792 -7.5784 -7.5784 -7.4805 -7.4805 -7.4801 -7.4801 -5.3048 -5.3048 -5.3000 -5.3000 -5.1008 -5.1008 -5.1000 -5.1000 -0.4136 -0.4136 -0.3974 -0.3974 -0.1716 -0.1716 -0.1516 -0.1516 0.4272 0.4272 0.4333 0.4333 0.5771 0.5771 0.6281 0.6281 1.3703 1.3703 1.3748 1.3748 1.5761 1.5761 1.6718 1.6718 2.3735 2.3735 2.3816 2.3816 2.7526 2.7526 2.8985 2.8985 3.1704 3.1704 3.2253 3.2253 3.3731 3.3731 3.4091 3.4091 3.9267 3.9267 3.9631 3.9631 4.0338 4.0338 4.1836 4.1836 6.5431 6.5431 6.5651 6.5651 6.8715 6.8715 6.8979 6.8979 7.2711 7.2711 7.2986 7.2986 7.5761 7.5761 k = 0.5000 0.0789 0.2148 ( 9242 PWs) bands (ev): -9.0141 -9.0141 -9.0129 -9.0129 -8.9800 -8.9800 -8.9790 -8.9790 -7.5746 -7.5746 -7.5737 -7.5737 -7.4843 -7.4843 -7.4838 -7.4838 -5.3027 -5.3027 -5.2976 -5.2976 -5.1039 -5.1039 -5.1030 -5.1030 -0.4092 -0.4092 -0.3921 -0.3921 -0.1802 -0.1802 -0.1592 -0.1592 0.4246 0.4246 0.4299 0.4299 0.5673 0.5673 0.6211 0.6211 1.3806 1.3806 1.3837 1.3837 1.5625 1.5625 1.6708 1.6708 2.4066 2.4066 2.4202 2.4202 2.7402 2.7402 2.8994 2.8994 3.1682 3.1682 3.2282 3.2282 3.3608 3.3608 3.4009 3.4009 3.9333 3.9333 3.9778 3.9778 4.0333 4.0333 4.1858 4.1858 6.5443 6.5443 6.5689 6.5689 6.8828 6.8828 6.9105 6.9105 7.2478 7.2478 7.2776 7.2776 7.5222 7.5222 k = 0.5000 0.0657 0.2148 ( 9246 PWs) bands (ev): -9.0123 -9.0123 -9.0107 -9.0107 -8.9827 -8.9827 -8.9813 -8.9813 -7.5701 -7.5701 -7.5690 -7.5690 -7.4880 -7.4880 -7.4874 -7.4874 -5.3007 -5.3007 -5.2953 -5.2953 -5.1067 -5.1067 -5.1057 -5.1057 -0.4048 -0.4048 -0.3868 -0.3868 -0.1888 -0.1888 -0.1668 -0.1668 0.4237 0.4237 0.4281 0.4281 0.5579 0.5579 0.6143 0.6143 1.3860 1.3860 1.3974 1.3974 1.5475 1.5475 1.6676 1.6676 2.4406 2.4406 2.4596 2.4596 2.7276 2.7276 2.8995 2.8995 3.1667 3.1667 3.2314 3.2314 3.3467 3.3467 3.3906 3.3906 3.9401 3.9401 3.9920 3.9920 4.0321 4.0321 4.1867 4.1867 6.5461 6.5461 6.5734 6.5734 6.8956 6.8956 6.9250 6.9250 7.2258 7.2258 7.2576 7.2576 7.4728 7.4728 k = 0.5000 0.0526 0.2148 ( 9256 PWs) bands (ev): -9.0104 -9.0104 -9.0084 -9.0084 -8.9854 -8.9854 -8.9835 -8.9835 -7.5658 -7.5658 -7.5646 -7.5646 -7.4917 -7.4917 -7.4909 -7.4909 -5.2990 -5.2990 -5.2933 -5.2933 -5.1093 -5.1093 -5.1081 -5.1081 -0.4004 -0.4004 -0.3817 -0.3817 -0.1969 -0.1969 -0.1742 -0.1742 0.4242 0.4242 0.4274 0.4274 0.5492 0.5492 0.6081 0.6081 1.3907 1.3907 1.4112 1.4112 1.5317 1.5317 1.6631 1.6631 2.4736 2.4736 2.4985 2.4985 2.7142 2.7142 2.8985 2.8985 3.1658 3.1658 3.2356 3.2356 3.3313 3.3313 3.3791 3.3791 3.9467 3.9467 4.0051 4.0051 4.0304 4.0304 4.1865 4.1865 6.5481 6.5481 6.5781 6.5781 6.9097 6.9097 6.9411 6.9411 7.2052 7.2052 7.2383 7.2383 7.4296 7.4296 k = 0.5000 0.0394 0.2148 ( 9268 PWs) bands (ev): -9.0087 -9.0087 -9.0061 -9.0061 -8.9880 -8.9880 -8.9856 -8.9856 -7.5620 -7.5620 -7.5606 -7.5606 -7.4951 -7.4951 -7.4942 -7.4942 -5.2975 -5.2975 -5.2916 -5.2916 -5.1114 -5.1114 -5.1101 -5.1101 -0.3965 -0.3965 -0.3771 -0.3771 -0.2040 -0.2040 -0.1808 -0.1808 0.4255 0.4255 0.4276 0.4276 0.5417 0.5417 0.6027 0.6027 1.3947 1.3947 1.4252 1.4252 1.5157 1.5157 1.6585 1.6585 2.5033 2.5033 2.5355 2.5355 2.6997 2.6997 2.8965 2.8965 3.1656 3.1656 3.2412 3.2412 3.3153 3.3153 3.3677 3.3677 3.9529 3.9529 4.0164 4.0164 4.0283 4.0283 4.1856 4.1856 6.5500 6.5500 6.5825 6.5825 6.9242 6.9242 6.9580 6.9580 7.1864 7.1864 7.2198 7.2198 7.3942 7.3942 k = 0.5000 0.0263 0.2148 ( 9270 PWs) bands (ev): -9.0071 -9.0071 -9.0038 -9.0038 -8.9905 -8.9905 -8.9874 -8.9874 -7.5589 -7.5589 -7.5574 -7.5574 -7.4978 -7.4978 -7.4968 -7.4968 -5.2964 -5.2964 -5.2903 -5.2903 -5.1129 -5.1129 -5.1116 -5.1116 -0.3933 -0.3933 -0.3735 -0.3735 -0.2096 -0.2096 -0.1861 -0.1861 0.4271 0.4271 0.4280 0.4280 0.5357 0.5357 0.5986 0.5986 1.3977 1.3977 1.4394 1.4394 1.4997 1.4997 1.6546 1.6546 2.5271 2.5271 2.5690 2.5690 2.6837 2.6837 2.8940 2.8940 3.1658 3.1658 3.2487 3.2487 3.2993 3.2993 3.3580 3.3580 3.9581 3.9581 4.0253 4.0253 4.0262 4.0262 4.1844 4.1844 6.5515 6.5515 6.5860 6.5860 6.9375 6.9375 6.9739 6.9739 7.1704 7.1704 7.2029 7.2029 7.3683 7.3683 k = 0.5000 0.0131 0.2148 ( 9284 PWs) bands (ev): -9.0060 -9.0060 -9.0018 -9.0018 -8.9927 -8.9927 -8.9886 -8.9886 -7.5569 -7.5569 -7.5552 -7.5552 -7.4997 -7.4997 -7.4985 -7.4985 -5.2958 -5.2958 -5.2895 -5.2895 -5.1139 -5.1139 -5.1125 -5.1125 -0.3912 -0.3912 -0.3712 -0.3712 -0.2131 -0.2131 -0.1895 -0.1895 0.4284 0.4284 0.4285 0.4285 0.5319 0.5319 0.5960 0.5960 1.3995 1.3995 1.4539 1.4539 1.4841 1.4841 1.6519 1.6519 2.5427 2.5427 2.5966 2.5966 2.6673 2.6673 2.8919 2.8919 3.1662 3.1662 3.2583 3.2583 3.2842 3.2842 3.3514 3.3514 3.9617 3.9617 4.0245 4.0245 4.0310 4.0310 4.1835 4.1835 6.5525 6.5525 6.5884 6.5884 6.9473 6.9473 6.9858 6.9858 7.1593 7.1593 7.1902 7.1902 7.3526 7.3526 k = 0.5000-0.0000 0.2148 ( 9296 PWs) bands (ev): -9.0056 -9.0056 -9.0009 -9.0009 -8.9936 -8.9936 -8.9891 -8.9891 -7.5562 -7.5562 -7.5545 -7.5545 -7.5004 -7.5004 -7.4992 -7.4992 -5.2955 -5.2955 -5.2892 -5.2892 -5.1142 -5.1142 -5.1128 -5.1128 -0.3905 -0.3905 -0.3704 -0.3704 -0.2144 -0.2144 -0.1906 -0.1906 0.4287 0.4287 0.4288 0.4288 0.5306 0.5306 0.5951 0.5951 1.4002 1.4002 1.4673 1.4673 1.4702 1.4702 1.6510 1.6510 2.5481 2.5481 2.6100 2.6100 2.6577 2.6577 2.8910 2.8910 3.1663 3.1663 3.2683 3.2683 3.2722 3.2722 3.3490 3.3490 3.9630 3.9630 4.0239 4.0239 4.0330 4.0330 4.1831 4.1831 6.5529 6.5529 6.5892 6.5892 6.9509 6.9509 6.9904 6.9904 7.1551 7.1551 7.1853 7.1853 7.3474 7.3474 k = 0.5000-0.0000 0.2148 ( 9296 PWs) bands (ev): -9.0056 -9.0056 -9.0009 -9.0009 -8.9936 -8.9936 -8.9891 -8.9891 -7.5562 -7.5562 -7.5545 -7.5545 -7.5004 -7.5004 -7.4992 -7.4992 -5.2955 -5.2955 -5.2892 -5.2892 -5.1142 -5.1142 -5.1128 -5.1128 -0.3905 -0.3905 -0.3704 -0.3704 -0.2144 -0.2144 -0.1906 -0.1906 0.4287 0.4287 0.4288 0.4288 0.5306 0.5306 0.5951 0.5951 1.4002 1.4002 1.4673 1.4673 1.4702 1.4702 1.6510 1.6510 2.5481 2.5481 2.6100 2.6100 2.6577 2.6577 2.8910 2.8910 3.1663 3.1663 3.2683 3.2683 3.2722 3.2722 3.3490 3.3490 3.9630 3.9630 4.0239 4.0239 4.0330 4.0330 4.1831 4.1831 6.5529 6.5529 6.5892 6.5892 6.9509 6.9509 6.9904 6.9904 7.1551 7.1551 7.1853 7.1853 7.3474 7.3474 k = 0.5000-0.0000 0.2021 ( 9284 PWs) bands (ev): -9.0071 -9.0071 -9.0036 -9.0036 -8.9910 -8.9910 -8.9876 -8.9876 -7.5565 -7.5565 -7.5548 -7.5548 -7.5000 -7.5000 -7.4989 -7.4989 -5.2955 -5.2955 -5.2892 -5.2892 -5.1143 -5.1143 -5.1129 -5.1129 -0.3919 -0.3919 -0.3718 -0.3718 -0.2160 -0.2160 -0.1926 -0.1926 0.4291 0.4291 0.4294 0.4294 0.5353 0.5353 0.5995 0.5995 1.4004 1.4004 1.4522 1.4522 1.4877 1.4877 1.6529 1.6529 2.5471 2.5471 2.6074 2.6074 2.6599 2.6599 2.8929 2.8929 3.1623 3.1623 3.2564 3.2564 3.2798 3.2798 3.3510 3.3510 3.9461 3.9461 4.0244 4.0244 4.0348 4.0348 4.1842 4.1842 6.5574 6.5574 6.5940 6.5940 6.9537 6.9537 6.9947 6.9947 7.1581 7.1581 7.1877 7.1877 7.3481 7.3481 k = 0.5000-0.0000 0.1895 ( 9284 PWs) bands (ev): -9.0104 -9.0104 -9.0081 -9.0081 -8.9864 -8.9864 -8.9842 -8.9842 -7.5573 -7.5573 -7.5557 -7.5557 -7.4991 -7.4991 -7.4980 -7.4980 -5.2955 -5.2955 -5.2893 -5.2893 -5.1144 -5.1144 -5.1130 -5.1130 -0.3960 -0.3960 -0.3760 -0.3760 -0.2209 -0.2209 -0.1983 -0.1983 0.4305 0.4305 0.4320 0.4320 0.5482 0.5482 0.6119 0.6119 1.4013 1.4013 1.4385 1.4385 1.5085 1.5085 1.6587 1.6587 2.5441 2.5441 2.6009 2.6009 2.6651 2.6651 2.8982 2.8982 3.1512 3.1512 3.2373 3.2373 3.2864 3.2864 3.3566 3.3566 3.9108 3.9108 4.0005 4.0005 4.0526 4.0526 4.1860 4.1860 6.5710 6.5710 6.6083 6.6083 6.9617 6.9617 7.0074 7.0074 7.1669 7.1669 7.1949 7.1949 7.3504 7.3504 k = 0.5000-0.0000 0.1769 ( 9276 PWs) bands (ev): -9.0145 -9.0145 -9.0128 -9.0128 -8.9815 -8.9815 -8.9800 -8.9800 -7.5587 -7.5587 -7.5572 -7.5572 -7.4977 -7.4977 -7.4966 -7.4966 -5.2954 -5.2954 -5.2894 -5.2894 -5.1145 -5.1145 -5.1132 -5.1132 -0.4023 -0.4023 -0.3825 -0.3825 -0.2290 -0.2290 -0.2078 -0.2078 0.4348 0.4348 0.4374 0.4374 0.5671 0.5671 0.6307 0.6307 1.4033 1.4033 1.4279 1.4279 1.5313 1.5313 1.6679 1.6679 2.5393 2.5393 2.5925 2.5925 2.6708 2.6708 2.9064 2.9064 3.1348 3.1348 3.2119 3.2119 3.2917 3.2917 3.3645 3.3645 3.8677 3.8677 3.9651 3.9651 4.0670 4.0670 4.1853 4.1853 6.5932 6.5932 6.6318 6.6318 6.9743 6.9743 7.0276 7.0276 7.1814 7.1814 7.2068 7.2068 7.3543 7.3543 k = 0.5000-0.0000 0.1642 ( 9282 PWs) bands (ev): -9.0188 -9.0188 -9.0175 -9.0175 -8.9767 -8.9767 -8.9755 -8.9755 -7.5604 -7.5604 -7.5591 -7.5591 -7.4958 -7.4958 -7.4949 -7.4949 -5.2954 -5.2954 -5.2895 -5.2895 -5.1148 -5.1148 -5.1134 -5.1134 -0.4103 -0.4103 -0.3908 -0.3908 -0.2401 -0.2401 -0.2207 -0.2207 0.4429 0.4429 0.4461 0.4461 0.5898 0.5898 0.6538 0.6538 1.4067 1.4067 1.4208 1.4208 1.5559 1.5559 1.6803 1.6803 2.5328 2.5328 2.5830 2.5830 2.6749 2.6749 2.9165 2.9165 3.1155 3.1155 3.1807 3.1807 3.2969 3.2969 3.3738 3.3738 3.8198 3.8198 3.9214 3.9214 4.0757 4.0757 4.1801 4.1801 6.6234 6.6234 6.6637 6.6637 6.9908 6.9908 7.0537 7.0537 7.2009 7.2009 7.2238 7.2238 7.3599 7.3599 k = 0.5000-0.0000 0.1516 ( 9280 PWs) bands (ev): -9.0231 -9.0231 -9.0220 -9.0220 -8.9719 -8.9719 -8.9710 -8.9710 -7.5625 -7.5625 -7.5612 -7.5612 -7.4937 -7.4937 -7.4929 -7.4929 -5.2953 -5.2953 -5.2896 -5.2896 -5.1151 -5.1151 -5.1138 -5.1138 -0.4193 -0.4193 -0.4002 -0.4002 -0.2540 -0.2540 -0.2366 -0.2366 0.4551 0.4551 0.4583 0.4583 0.6146 0.6146 0.6794 0.6794 1.4120 1.4120 1.4173 1.4173 1.5823 1.5823 1.6956 1.6956 2.5249 2.5249 2.5728 2.5728 2.6761 2.6761 2.9268 2.9268 3.0959 3.0959 3.1450 3.1450 3.3027 3.3027 3.3835 3.3835 3.7688 3.7688 3.8722 3.8722 4.0782 4.0782 4.1693 4.1693 6.6606 6.6606 6.7031 6.7031 7.0103 7.0103 7.0838 7.0838 7.2247 7.2247 7.2457 7.2457 7.3675 7.3675 k = 0.5000-0.0000 0.1390 ( 9282 PWs) bands (ev): -9.0272 -9.0272 -9.0264 -9.0264 -8.9674 -8.9674 -8.9667 -8.9667 -7.5647 -7.5647 -7.5635 -7.5635 -7.4914 -7.4914 -7.4907 -7.4907 -5.2952 -5.2952 -5.2898 -5.2898 -5.1154 -5.1154 -5.1142 -5.1142 -0.4287 -0.4287 -0.4102 -0.4102 -0.2702 -0.2702 -0.2548 -0.2548 0.4708 0.4708 0.4734 0.4734 0.6404 0.6404 0.7062 0.7062 1.4175 1.4175 1.4197 1.4197 1.6107 1.6107 1.7134 1.7134 2.5156 2.5156 2.5616 2.5616 2.6731 2.6731 2.9349 2.9349 3.0781 3.0781 3.1071 3.1071 3.3099 3.3099 3.3930 3.3930 3.7161 3.7161 3.8197 3.8197 4.0746 4.0746 4.1529 4.1529 6.7037 6.7037 6.7487 6.7487 7.0320 7.0320 7.1159 7.1159 7.2512 7.2512 7.2726 7.2726 7.3776 7.3776 k = 0.5000-0.0000 0.1263 ( 9292 PWs) bands (ev): -9.0312 -9.0312 -9.0304 -9.0304 -8.9630 -8.9630 -8.9625 -8.9625 -7.5669 -7.5669 -7.5659 -7.5659 -7.4890 -7.4890 -7.4884 -7.4884 -5.2951 -5.2951 -5.2900 -5.2900 -5.1157 -5.1157 -5.1146 -5.1146 -0.4379 -0.4379 -0.4202 -0.4202 -0.2879 -0.2879 -0.2747 -0.2747 0.4891 0.4891 0.4906 0.4906 0.6665 0.6665 0.7329 0.7329 1.4213 1.4213 1.4295 1.4295 1.6413 1.6413 1.7337 1.7337 2.5051 2.5051 2.5486 2.5486 2.6658 2.6658 2.9368 2.9368 3.0636 3.0636 3.0709 3.0709 3.3193 3.3193 3.4018 3.4018 3.6632 3.6632 3.7662 3.7662 4.0653 4.0653 4.1309 4.1309 6.7509 6.7509 6.7987 6.7987 7.0556 7.0556 7.1480 7.1480 7.2787 7.2787 7.3039 7.3039 7.3908 7.3908 k = 0.5000-0.0000 0.1137 ( 9282 PWs) bands (ev): -9.0348 -9.0348 -9.0343 -9.0343 -8.9590 -8.9590 -8.9585 -8.9585 -7.5692 -7.5692 -7.5683 -7.5683 -7.4867 -7.4867 -7.4862 -7.4862 -5.2949 -5.2949 -5.2902 -5.2902 -5.1161 -5.1161 -5.1150 -5.1150 -0.4465 -0.4465 -0.4296 -0.4296 -0.3066 -0.3066 -0.2955 -0.2955 0.5086 0.5086 0.5088 0.5088 0.6926 0.6926 0.7590 0.7590 1.4281 1.4281 1.4412 1.4412 1.6746 1.6746 1.7563 1.7563 2.4930 2.4930 2.5327 2.5327 2.6551 2.6551 2.9264 2.9264 3.0422 3.0422 3.0531 3.0531 3.3315 3.3315 3.4090 3.4090 3.6120 3.6120 3.7146 3.7146 4.0508 4.0508 4.1041 4.1041 6.8005 6.8005 6.8507 6.8507 7.0814 7.0814 7.1789 7.1789 7.3051 7.3051 7.3375 7.3375 7.4084 7.4084 k = 0.5000-0.0000 0.1011 ( 9274 PWs) bands (ev): -9.0382 -9.0382 -9.0377 -9.0377 -8.9552 -8.9552 -8.9548 -8.9548 -7.5713 -7.5713 -7.5706 -7.5706 -7.4844 -7.4844 -7.4840 -7.4840 -5.2948 -5.2948 -5.2905 -5.2905 -5.1165 -5.1165 -5.1155 -5.1155 -0.4540 -0.4540 -0.4381 -0.4381 -0.3258 -0.3258 -0.3167 -0.3167 0.5269 0.5269 0.5280 0.5280 0.7187 0.7187 0.7840 0.7840 1.4372 1.4372 1.4543 1.4543 1.7106 1.7106 1.7813 1.7813 2.4793 2.4793 2.5125 2.5125 2.6432 2.6432 2.9007 2.9007 3.0243 3.0243 3.0460 3.0460 3.3469 3.3469 3.4130 3.4130 3.5645 3.5645 3.6682 3.6682 4.0316 4.0316 4.0731 4.0731 6.8505 6.8505 6.9019 6.9019 7.1104 7.1104 7.2079 7.2079 7.3291 7.3291 7.3704 7.3704 7.4321 7.4321 k = 0.5000-0.0000 0.0884 ( 9274 PWs) bands (ev): -9.0413 -9.0413 -9.0409 -9.0409 -8.9518 -8.9518 -8.9515 -8.9515 -7.5734 -7.5734 -7.5727 -7.5727 -7.4823 -7.4823 -7.4820 -7.4820 -5.2946 -5.2946 -5.2907 -5.2907 -5.1168 -5.1168 -5.1160 -5.1160 -0.4602 -0.4602 -0.4454 -0.4454 -0.3447 -0.3447 -0.3376 -0.3376 0.5438 0.5438 0.5460 0.5460 0.7448 0.7448 0.8076 0.8076 1.4476 1.4476 1.4676 1.4676 1.7494 1.7494 1.8085 1.8085 2.4636 2.4636 2.4871 2.4871 2.6327 2.6327 2.8648 2.8648 3.0124 3.0124 3.0407 3.0407 3.3652 3.3652 3.4117 3.4117 3.5232 3.5232 3.6315 3.6315 4.0085 4.0085 4.0388 4.0388 6.8985 6.8985 6.9488 6.9488 7.1437 7.1437 7.2349 7.2349 7.3501 7.3501 7.4000 7.4000 7.4626 7.4626 k = 0.5000-0.0000 0.0758 ( 9264 PWs) bands (ev): -9.0440 -9.0440 -9.0437 -9.0437 -8.9488 -8.9488 -8.9485 -8.9485 -7.5752 -7.5752 -7.5746 -7.5746 -7.4804 -7.4804 -7.4801 -7.4801 -5.2944 -5.2944 -5.2910 -5.2910 -5.1172 -5.1172 -5.1164 -5.1164 -0.4648 -0.4648 -0.4511 -0.4511 -0.3629 -0.3629 -0.3577 -0.3577 0.5588 0.5588 0.5617 0.5617 0.7710 0.7710 0.8295 0.8295 1.4586 1.4586 1.4804 1.4804 1.7906 1.7906 1.8377 1.8377 2.4456 2.4456 2.4569 2.4569 2.6252 2.6252 2.8257 2.8257 3.0010 3.0010 3.0352 3.0352 3.3837 3.3837 3.4034 3.4034 3.4919 3.4919 3.6083 3.6083 3.9825 3.9825 4.0020 4.0020 6.9424 6.9424 6.9881 6.9881 7.1822 7.1822 7.2600 7.2600 7.3687 7.3687 7.4265 7.4265 7.4968 7.4968 k = 0.5000-0.0000 0.0632 ( 9254 PWs) bands (ev): -9.0463 -9.0463 -9.0461 -9.0461 -8.9461 -8.9461 -8.9459 -8.9459 -7.5768 -7.5768 -7.5763 -7.5763 -7.4788 -7.4788 -7.4785 -7.4785 -5.2941 -5.2941 -5.2913 -5.2913 -5.1175 -5.1175 -5.1168 -5.1168 -0.4676 -0.4676 -0.4552 -0.4552 -0.3801 -0.3801 -0.3767 -0.3767 0.5714 0.5714 0.5745 0.5745 0.7967 0.7967 0.8491 0.8491 1.4695 1.4695 1.4916 1.4916 1.8332 1.8332 1.8682 1.8682 2.4240 2.4240 2.4251 2.4251 2.6213 2.6213 2.7874 2.7874 2.9882 2.9882 3.0274 3.0274 3.3891 3.3891 3.3944 3.3944 3.4788 3.4788 3.5992 3.5992 3.9544 3.9544 3.9641 3.9641 6.9805 6.9805 7.0185 7.0185 7.2246 7.2246 7.2831 7.2831 7.3855 7.3855 7.4513 7.4513 7.5304 7.5304 k = 0.5000-0.0000 0.0505 ( 9246 PWs) bands (ev): -9.0483 -9.0483 -9.0480 -9.0480 -8.9439 -8.9439 -8.9438 -8.9438 -7.5782 -7.5782 -7.5778 -7.5778 -7.4773 -7.4773 -7.4772 -7.4772 -5.2939 -5.2939 -5.2916 -5.2916 -5.1177 -5.1177 -5.1172 -5.1172 -0.4685 -0.4685 -0.4575 -0.4575 -0.3958 -0.3958 -0.3941 -0.3941 0.5815 0.5815 0.5844 0.5844 0.8211 0.8211 0.8658 0.8658 1.4797 1.4797 1.5004 1.5004 1.8756 1.8756 1.8991 1.8991 2.3910 2.3910 2.4022 2.4022 2.6208 2.6208 2.7522 2.7522 2.9751 2.9751 3.0164 3.0164 3.3733 3.3733 3.3895 3.3895 3.4905 3.4905 3.6007 3.6007 3.9255 3.9255 3.9265 3.9265 7.0118 7.0118 7.0406 7.0406 7.2668 7.2668 7.3036 7.3036 7.4021 7.4021 7.4739 7.4739 7.5602 7.5602 k = 0.5000-0.0000 0.0379 ( 9240 PWs) bands (ev): -9.0498 -9.0498 -9.0496 -9.0496 -8.9422 -8.9422 -8.9421 -8.9421 -7.5792 -7.5792 -7.5789 -7.5789 -7.4762 -7.4762 -7.4761 -7.4761 -5.2936 -5.2936 -5.2919 -5.2919 -5.1179 -5.1179 -5.1175 -5.1175 -0.4674 -0.4674 -0.4580 -0.4580 -0.4097 -0.4097 -0.4097 -0.4097 0.5891 0.5891 0.5915 0.5915 0.8434 0.8434 0.8785 0.8785 1.4889 1.4889 1.5065 1.5065 1.9151 1.9151 1.9285 1.9285 2.3609 2.3609 2.3780 2.3780 2.6237 2.6237 2.7210 2.7210 2.9638 2.9638 3.0022 3.0022 3.3602 3.3602 3.3773 3.3773 3.5170 3.5170 3.6071 3.6071 3.8916 3.8916 3.8972 3.8972 7.0359 7.0359 7.0558 7.0558 7.3035 7.3035 7.3211 7.3211 7.4205 7.4205 7.4918 7.4918 7.5849 7.5849 k = 0.5000-0.0000 0.0253 ( 9256 PWs) bands (ev): -9.0508 -9.0508 -9.0507 -9.0507 -8.9410 -8.9410 -8.9409 -8.9409 -7.5800 -7.5800 -7.5798 -7.5798 -7.4754 -7.4754 -7.4753 -7.4753 -5.2934 -5.2934 -5.2922 -5.2922 -5.1181 -5.1181 -5.1178 -5.1178 -0.4645 -0.4645 -0.4569 -0.4569 -0.4229 -0.4229 -0.4216 -0.4216 0.5945 0.5945 0.5961 0.5961 0.8622 0.8622 0.8865 0.8865 1.4969 1.4969 1.5097 1.5097 1.9482 1.9482 1.9540 1.9540 2.3372 2.3372 2.3542 2.3542 2.6300 2.6300 2.6942 2.6942 2.9568 2.9568 2.9866 2.9866 3.3521 3.3521 3.3656 3.3656 3.5478 3.5478 3.6128 3.6128 3.8629 3.8629 3.8716 3.8716 7.0531 7.0531 7.0654 7.0654 7.3295 7.3295 7.3348 7.3348 7.4422 7.4422 7.5013 7.5013 7.6054 7.6054 k = 0.5000-0.0000 0.0126 ( 9250 PWs) bands (ev): -9.0515 -9.0515 -9.0514 -9.0514 -8.9402 -8.9402 -8.9402 -8.9402 -7.5804 -7.5804 -7.5803 -7.5803 -7.4749 -7.4749 -7.4748 -7.4748 -5.2931 -5.2931 -5.2925 -5.2925 -5.1181 -5.1181 -5.1180 -5.1180 -0.4602 -0.4602 -0.4552 -0.4552 -0.4325 -0.4325 -0.4308 -0.4308 0.5978 0.5978 0.5986 0.5986 0.8766 0.8766 0.8890 0.8890 1.5032 1.5032 1.5100 1.5100 1.9705 1.9705 1.9721 1.9721 2.3237 2.3237 2.3344 2.3344 2.6400 2.6400 2.6718 2.6718 2.9557 2.9557 2.9720 2.9720 3.3492 3.3492 3.3565 3.3565 3.5770 3.5770 3.6118 3.6118 3.8449 3.8449 3.8516 3.8516 7.0641 7.0641 7.0699 7.0699 7.3434 7.3434 7.3439 7.3439 7.4659 7.4659 7.4995 7.4995 7.6228 7.6228 k = 0.5000-0.0000-0.0000 ( 9244 PWs) bands (ev): -9.0517 -9.0517 -9.0517 -9.0517 -8.9399 -8.9399 -8.9399 -8.9399 -7.5805 -7.5805 -7.5805 -7.5805 -7.4747 -7.4747 -7.4747 -7.4747 -5.2928 -5.2928 -5.2928 -5.2928 -5.1181 -5.1181 -5.1181 -5.1181 -0.4560 -0.4560 -0.4560 -0.4560 -0.4355 -0.4355 -0.4355 -0.4355 0.5991 0.5991 0.5991 0.5991 0.8857 0.8857 0.8857 0.8857 1.5077 1.5077 1.5077 1.5077 1.9786 1.9786 1.9786 1.9786 2.3230 2.3230 2.3230 2.3230 2.6538 2.6538 2.6538 2.6538 2.9611 2.9611 2.9611 2.9611 3.3509 3.3509 3.3509 3.3509 3.5997 3.5997 3.5997 3.5997 3.8414 3.8414 3.8414 3.8414 7.0695 7.0695 7.0695 7.0695 7.3474 7.3474 7.3474 7.3474 7.4866 7.4866 7.4866 7.4866 7.6369 7.6369 k = 0.0000 0.0000 0.2148 ( 9258 PWs) bands (ev): -10.1158 -10.1158 -10.1158 -10.1158 -8.3174 -8.3174 -8.3174 -8.3174 -7.9753 -7.9753 -7.9753 -7.9753 -7.5139 -7.5139 -7.5139 -7.5139 -5.7408 -5.7408 -5.7408 -5.7408 -3.7552 -3.7552 -3.7552 -3.7552 -0.1917 -0.1917 -0.1917 -0.1917 0.8252 0.8252 0.8252 0.8252 0.9675 0.9675 0.9675 0.9675 1.1293 1.1293 1.1293 1.1293 2.0952 2.0952 2.0952 2.0952 2.2414 2.2414 2.2414 2.2414 2.6456 2.6456 2.6456 2.6456 3.0151 3.0151 3.0151 3.0151 3.4228 3.4228 3.4228 3.4228 3.5896 3.5896 3.5896 3.5896 3.8494 3.8494 3.8494 3.8494 4.2784 4.2784 4.2784 4.2784 6.1576 6.1576 6.1576 6.1576 6.4038 6.4038 6.4038 6.4038 6.7233 6.7233 6.7233 6.7233 7.2084 7.2084 k = 0.0132-0.0000 0.2148 ( 9266 PWs) bands (ev): -10.1149 -10.1149 -10.1148 -10.1148 -8.3174 -8.3174 -8.3172 -8.3172 -7.9752 -7.9752 -7.9749 -7.9749 -7.5137 -7.5137 -7.5137 -7.5137 -5.7410 -5.7410 -5.7410 -5.7410 -3.7568 -3.7568 -3.7562 -3.7562 -0.1920 -0.1920 -0.1912 -0.1912 0.8137 0.8137 0.8161 0.8161 0.9492 0.9492 0.9834 0.9834 1.1085 1.1085 1.1637 1.1637 2.0851 2.0851 2.0997 2.0997 2.2316 2.2316 2.2573 2.2573 2.6384 2.6384 2.6494 2.6494 3.0154 3.0154 3.0162 3.0162 3.4161 3.4161 3.4261 3.4261 3.5780 3.5780 3.5947 3.5947 3.8448 3.8448 3.8541 3.8541 4.2755 4.2755 4.2794 4.2794 6.1574 6.1574 6.1647 6.1647 6.4016 6.4016 6.4097 6.4097 6.7221 6.7221 6.7291 6.7291 7.2049 7.2049 k = 0.0263-0.0000 0.2148 ( 9260 PWs) bands (ev): -10.1121 -10.1121 -10.1119 -10.1119 -8.3171 -8.3171 -8.3168 -8.3168 -7.9743 -7.9743 -7.9739 -7.9739 -7.5131 -7.5131 -7.5130 -7.5130 -5.7416 -5.7416 -5.7415 -5.7415 -3.7611 -3.7611 -3.7598 -3.7598 -0.1922 -0.1922 -0.1905 -0.1905 0.7853 0.7853 0.7875 0.7875 0.9349 0.9349 0.9845 0.9845 1.1099 1.1099 1.2039 1.2039 2.0716 2.0716 2.0966 2.0966 2.2300 2.2300 2.2771 2.2771 2.6285 2.6285 2.6495 2.6495 3.0168 3.0168 3.0188 3.0188 3.4066 3.4066 3.4255 3.4255 3.5617 3.5617 3.5914 3.5914 3.8421 3.8421 3.8576 3.8576 4.2711 4.2711 4.2780 4.2780 6.1639 6.1639 6.1786 6.1786 6.4031 6.4031 6.4193 6.4193 6.7257 6.7257 6.7392 6.7392 7.2055 7.2055 k = 0.0395-0.0000 0.2148 ( 9254 PWs) bands (ev): -10.1075 -10.1075 -10.1072 -10.1072 -8.3166 -8.3166 -8.3162 -8.3162 -7.9729 -7.9729 -7.9722 -7.9722 -7.5120 -7.5120 -7.5118 -7.5118 -5.7425 -5.7425 -5.7424 -5.7424 -3.7679 -3.7679 -3.7660 -3.7660 -0.1924 -0.1924 -0.1897 -0.1897 0.7450 0.7450 0.7461 0.7461 0.9228 0.9228 0.9709 0.9709 1.1289 1.1289 1.2450 1.2450 2.0560 2.0560 2.0856 2.0856 2.2366 2.2366 2.2989 2.2989 2.6166 2.6166 2.6460 2.6460 3.0188 3.0188 3.0233 3.0233 3.3950 3.3950 3.4204 3.4204 3.5424 3.5424 3.5788 3.5788 3.8422 3.8422 3.8588 3.8588 4.2657 4.2657 4.2741 4.2741 6.1765 6.1765 6.1982 6.1982 6.4087 6.4087 6.4325 6.4325 6.7339 6.7339 6.7529 6.7529 7.2115 7.2115 k = 0.0526-0.0000 0.2148 ( 9266 PWs) bands (ev): -10.1011 -10.1011 -10.1006 -10.1006 -8.3160 -8.3160 -8.3154 -8.3154 -7.9708 -7.9708 -7.9699 -7.9699 -7.5104 -7.5104 -7.5102 -7.5102 -5.7436 -5.7436 -5.7435 -5.7435 -3.7774 -3.7774 -3.7749 -3.7749 -0.1926 -0.1926 -0.1888 -0.1888 0.6969 0.6969 0.6983 0.6983 0.9095 0.9095 0.9504 0.9504 1.1535 1.1535 1.2841 1.2841 2.0392 2.0392 2.0687 2.0687 2.2493 2.2493 2.3215 2.3215 2.6035 2.6035 2.6392 2.6392 3.0211 3.0211 3.0299 3.0299 3.3817 3.3817 3.4102 3.4102 3.5215 3.5215 3.5576 3.5576 3.8450 3.8450 3.8577 3.8577 4.2596 4.2596 4.2677 4.2677 6.1939 6.1939 6.2224 6.2224 6.4185 6.4185 6.4495 6.4495 6.7463 6.7463 6.7692 6.7692 7.2239 7.2239 k = 0.0658-0.0000 0.2148 ( 9258 PWs) bands (ev): -10.0928 -10.0928 -10.0922 -10.0922 -8.3152 -8.3152 -8.3146 -8.3146 -7.9681 -7.9681 -7.9670 -7.9670 -7.5085 -7.5085 -7.5082 -7.5082 -5.7451 -5.7451 -5.7449 -5.7449 -3.7895 -3.7895 -3.7864 -3.7864 -0.1929 -0.1929 -0.1879 -0.1879 0.6445 0.6445 0.6476 0.6476 0.8935 0.8935 0.9265 0.9265 1.1771 1.1771 1.3187 1.3187 2.0216 2.0216 2.0481 2.0481 2.2657 2.2657 2.3434 2.3434 2.5899 2.5899 2.6300 2.6300 3.0232 3.0232 3.0388 3.0388 3.3676 3.3676 3.3945 3.3945 3.5001 3.5001 3.5294 3.5294 3.8493 3.8493 3.8544 3.8544 4.2531 4.2531 4.2588 4.2588 6.2144 6.2144 6.2493 6.2493 6.4331 6.4331 6.4705 6.4705 6.7623 6.7623 6.7876 6.7876 7.2439 7.2439 k = 0.0789-0.0000 0.2148 ( 9264 PWs) bands (ev): -10.0827 -10.0827 -10.0820 -10.0820 -8.3146 -8.3146 -8.3137 -8.3137 -7.9647 -7.9647 -7.9634 -7.9634 -7.5062 -7.5062 -7.5059 -7.5059 -5.7467 -5.7467 -5.7466 -5.7466 -3.8042 -3.8042 -3.8005 -3.8005 -0.1936 -0.1936 -0.1871 -0.1871 0.5903 0.5903 0.5962 0.5962 0.8743 0.8743 0.9000 0.9000 1.1968 1.1968 1.3472 1.3472 2.0035 2.0035 2.0257 2.0257 2.2839 2.2839 2.3627 2.3627 2.5765 2.5765 2.6197 2.6197 3.0244 3.0244 3.0500 3.0500 3.3535 3.3535 3.3733 3.3733 3.4790 3.4790 3.4968 3.4968 3.8497 3.8497 3.8539 3.8539 4.2459 4.2459 4.2478 4.2478 6.2364 6.2364 6.2766 6.2766 6.4530 6.4530 6.4959 6.4959 6.7812 6.7812 6.8076 6.8076 7.2722 7.2722 k = 0.0921-0.0000 0.2148 ( 9272 PWs) bands (ev): -10.0707 -10.0707 -10.0699 -10.0699 -8.3140 -8.3140 -8.3130 -8.3130 -7.9606 -7.9606 -7.9591 -7.9591 -7.5035 -7.5035 -7.5031 -7.5031 -5.7485 -5.7485 -5.7483 -5.7483 -3.8215 -3.8215 -3.8173 -3.8173 -0.1947 -0.1947 -0.1866 -0.1866 0.5362 0.5362 0.5457 0.5457 0.8518 0.8518 0.8708 0.8708 1.2114 1.2114 1.3683 1.3683 1.9850 1.9850 2.0028 2.0028 2.3023 2.3023 2.3776 2.3776 2.5639 2.5639 2.6097 2.6097 3.0237 3.0237 3.0637 3.0637 3.3401 3.3401 3.3473 3.3473 3.4588 3.4588 3.4623 3.4623 3.8442 3.8442 3.8575 3.8575 4.2348 4.2348 4.2380 4.2380 6.2578 6.2578 6.3021 6.3021 6.4789 6.4789 6.5262 6.5262 6.8027 6.8027 6.8290 6.8290 7.3088 7.3088 k = 0.1053-0.0000 0.2148 ( 9266 PWs) bands (ev): -10.0570 -10.0570 -10.0560 -10.0560 -8.3137 -8.3137 -8.3125 -8.3125 -7.9557 -7.9557 -7.9541 -7.9541 -7.5004 -7.5004 -7.5000 -7.5000 -5.7502 -5.7502 -5.7500 -5.7500 -3.8414 -3.8414 -3.8366 -3.8366 -0.1966 -0.1966 -0.1866 -0.1866 0.4834 0.4834 0.4970 0.4970 0.8261 0.8261 0.8392 0.8392 1.2203 1.2203 1.3810 1.3810 1.9664 1.9664 1.9806 1.9806 2.3190 2.3190 2.3860 2.3860 2.5528 2.5528 2.6015 2.6015 3.0200 3.0200 3.0795 3.0795 3.3173 3.3173 3.3282 3.3282 3.4288 3.4288 3.4403 3.4403 3.8386 3.8386 3.8596 3.8596 4.2199 4.2199 4.2288 4.2288 6.2771 6.2771 6.3240 6.3240 6.5106 6.5106 6.5615 6.5615 6.8262 6.8262 6.8523 6.8523 7.3532 7.3532 k = 0.1184-0.0000 0.2148 ( 9256 PWs) bands (ev): -10.0414 -10.0414 -10.0404 -10.0404 -8.3138 -8.3138 -8.3125 -8.3125 -7.9501 -7.9501 -7.9483 -7.9483 -7.4971 -7.4971 -7.4966 -7.4966 -5.7520 -5.7520 -5.7517 -5.7517 -3.8638 -3.8638 -3.8586 -3.8586 -0.1994 -0.1994 -0.1874 -0.1874 0.4331 0.4331 0.4509 0.4509 0.7975 0.7975 0.8050 0.8050 1.2232 1.2232 1.3848 1.3848 1.9475 1.9475 1.9598 1.9598 2.3325 2.3325 2.3866 2.3866 2.5436 2.5436 2.5959 2.5959 3.0119 3.0119 3.0967 3.0967 3.2849 3.2849 3.3175 3.3175 3.4000 3.4000 3.4244 3.4244 3.8334 3.8334 3.8598 3.8598 4.2033 4.2033 4.2180 4.2180 6.2933 6.2933 6.3417 6.3417 6.5473 6.5473 6.6014 6.6014 6.8518 6.8518 6.8779 6.8779 7.4045 7.4045 k = 0.1316-0.0000 0.2148 ( 9248 PWs) bands (ev): -10.0241 -10.0241 -10.0229 -10.0229 -8.3145 -8.3145 -8.3130 -8.3130 -7.9436 -7.9436 -7.9418 -7.9418 -7.4935 -7.4935 -7.4930 -7.4930 -5.7535 -5.7535 -5.7533 -5.7533 -3.8887 -3.8887 -3.8831 -3.8831 -0.2034 -0.2034 -0.1891 -0.1891 0.3860 0.3860 0.4083 0.4083 0.7662 0.7662 0.7687 0.7687 1.2201 1.2201 1.3795 1.3795 1.9285 1.9285 1.9412 1.9412 2.3411 2.3411 2.3793 2.3793 2.5369 2.5369 2.5924 2.5924 2.9984 2.9984 3.1136 3.1136 3.2517 3.2517 3.3063 3.3063 3.3804 3.3804 3.4125 3.4125 3.8290 3.8290 3.8580 3.8580 4.1850 4.1850 4.2053 4.2053 6.3062 6.3062 6.3554 6.3554 6.5872 6.5872 6.6447 6.6447 6.8795 6.8795 6.9066 6.9066 7.4614 7.4614 k = 0.1447-0.0000 0.2148 ( 9252 PWs) bands (ev): -10.0050 -10.0050 -10.0037 -10.0037 -8.3160 -8.3160 -8.3142 -8.3142 -7.9363 -7.9363 -7.9344 -7.9344 -7.4897 -7.4897 -7.4892 -7.4892 -5.7547 -5.7547 -5.7545 -5.7545 -3.9161 -3.9161 -3.9101 -3.9101 -0.2089 -0.2089 -0.1921 -0.1921 0.3430 0.3430 0.3696 0.3696 0.7302 0.7302 0.7326 0.7326 1.2114 1.2114 1.3657 1.3657 1.9093 1.9093 1.9246 1.9246 2.3438 2.3438 2.3653 2.3653 2.5325 2.5325 2.5898 2.5898 2.9794 2.9794 3.1272 3.1272 3.2200 3.2200 3.2919 3.2919 3.3745 3.3745 3.4067 3.4067 3.8255 3.8255 3.8546 3.8546 4.1652 4.1652 4.1903 4.1903 6.3160 6.3160 6.3659 6.3659 6.6283 6.6283 6.6900 6.6900 6.9095 6.9095 6.9385 6.9385 7.5224 7.5224 k = 0.1579-0.0000 0.2148 ( 9256 PWs) bands (ev): -9.9842 -9.9842 -9.9828 -9.9828 -8.3184 -8.3184 -8.3163 -8.3163 -7.9282 -7.9282 -7.9262 -7.9262 -7.4858 -7.4858 -7.4852 -7.4852 -5.7555 -5.7555 -5.7553 -5.7553 -3.9460 -3.9460 -3.9396 -3.9396 -0.2160 -0.2160 -0.1967 -0.1967 0.3044 0.3044 0.3352 0.3352 0.6902 0.6902 0.6969 0.6969 1.1972 1.1972 1.3442 1.3442 1.8897 1.8897 1.9097 1.9097 2.3407 2.3407 2.3460 2.3460 2.5292 2.5292 2.5862 2.5862 2.9562 2.9562 3.1318 3.1318 3.1943 3.1943 3.2751 3.2751 3.3816 3.3816 3.4090 3.4090 3.8231 3.8231 3.8497 3.8497 4.1437 4.1437 4.1730 4.1730 6.3234 6.3234 6.3741 6.3741 6.6687 6.6687 6.7351 6.7351 6.9421 6.9421 6.9737 6.9737 7.5859 7.5859 k = 0.1711-0.0000 0.2148 ( 9266 PWs) bands (ev): -9.9617 -9.9617 -9.9602 -9.9602 -8.3219 -8.3219 -8.3196 -8.3196 -7.9191 -7.9191 -7.9170 -7.9170 -7.4817 -7.4817 -7.4811 -7.4811 -5.7558 -5.7558 -5.7555 -5.7555 -3.9782 -3.9782 -3.9716 -3.9716 -0.2247 -0.2247 -0.2032 -0.2032 0.2707 0.2707 0.3052 0.3052 0.6488 0.6488 0.6597 0.6597 1.1782 1.1782 1.3163 1.3163 1.8696 1.8696 1.8958 1.8958 2.3229 2.3229 2.3329 2.3329 2.5248 2.5248 2.5805 2.5805 2.9313 2.9313 3.1208 3.1208 3.1809 3.1809 3.2584 3.2584 3.3981 3.3981 3.4206 3.4206 3.8219 3.8219 3.8439 3.8439 4.1208 4.1208 4.1532 4.1532 6.3291 6.3291 6.3809 6.3809 6.7071 6.7071 6.7780 6.7780 6.9776 6.9776 7.0119 7.0119 7.6499 7.6499 k = 0.1842-0.0000 0.2148 ( 9264 PWs) bands (ev): -9.9376 -9.9376 -9.9359 -9.9359 -8.3267 -8.3267 -8.3242 -8.3242 -7.9091 -7.9091 -7.9070 -7.9070 -7.4776 -7.4776 -7.4769 -7.4769 -5.7553 -5.7553 -5.7550 -5.7550 -4.0128 -4.0128 -4.0059 -4.0059 -0.2350 -0.2350 -0.2115 -0.2115 0.2421 0.2421 0.2795 0.2795 0.6067 0.6067 0.6215 0.6215 1.1548 1.1548 1.2832 1.2832 1.8490 1.8490 1.8820 1.8820 2.2966 2.2966 2.3216 2.3216 2.5167 2.5167 2.5723 2.5723 2.9077 2.9077 3.0989 3.0989 3.1759 3.1759 3.2432 3.2432 3.4209 3.4209 3.4407 3.4407 3.8221 3.8221 3.8375 3.8375 4.0965 4.0965 4.1312 4.1312 6.3340 6.3340 6.3871 6.3871 6.7424 6.7424 6.8169 6.8169 7.0160 7.0160 7.0520 7.0520 7.7121 7.7121 k = 0.1974-0.0000 0.2148 ( 9260 PWs) bands (ev): -9.9118 -9.9118 -9.9100 -9.9100 -8.3329 -8.3329 -8.3302 -8.3302 -7.8981 -7.8981 -7.8960 -7.8960 -7.4735 -7.4735 -7.4727 -7.4727 -5.7539 -5.7539 -5.7536 -5.7536 -4.0496 -4.0496 -4.0425 -4.0425 -0.2467 -0.2467 -0.2217 -0.2217 0.2182 0.2182 0.2578 0.2578 0.5644 0.5644 0.5828 0.5828 1.1277 1.1277 1.2463 1.2463 1.8278 1.8278 1.8675 1.8675 2.2675 2.2675 2.3083 2.3083 2.5028 2.5028 2.5615 2.5615 2.8883 2.8883 3.0754 3.0754 3.1721 3.1721 3.2297 3.2297 3.4477 3.4477 3.4667 3.4667 3.8240 3.8240 3.8309 3.8309 4.0713 4.0713 4.1073 4.1073 6.3386 6.3386 6.3931 6.3931 6.7742 6.7742 6.8508 6.8508 7.0564 7.0564 7.0927 7.0927 7.7699 7.7699 k = 0.2105-0.0000 0.2148 ( 9270 PWs) bands (ev): -9.8844 -9.8844 -9.8825 -9.8825 -8.3409 -8.3409 -8.3378 -8.3378 -7.8862 -7.8862 -7.8841 -7.8841 -7.4694 -7.4694 -7.4686 -7.4686 -5.7515 -5.7515 -5.7511 -5.7511 -4.0886 -4.0886 -4.0812 -4.0812 -0.2595 -0.2595 -0.2335 -0.2335 0.1986 0.1986 0.2393 0.2393 0.5225 0.5225 0.5443 0.5443 1.0973 1.0973 1.2067 1.2067 1.8060 1.8060 1.8517 1.8517 2.2355 2.2355 2.2935 2.2935 2.4823 2.4823 2.5488 2.5488 2.8747 2.8747 3.0539 3.0539 3.1678 3.1678 3.2180 3.2180 3.4766 3.4766 3.4957 3.4957 3.8243 3.8243 3.8278 3.8278 4.0457 4.0457 4.0819 4.0819 6.3435 6.3435 6.3996 6.3996 6.8025 6.8025 6.8797 6.8797 7.0974 7.0974 7.1326 7.1326 7.8214 7.8214 k = 0.2237-0.0000 0.2148 ( 9280 PWs) bands (ev): -9.8555 -9.8555 -9.8534 -9.8534 -8.3506 -8.3506 -8.3473 -8.3473 -7.8734 -7.8734 -7.8713 -7.8713 -7.4655 -7.4655 -7.4647 -7.4647 -5.7478 -5.7478 -5.7474 -5.7474 -4.1296 -4.1296 -4.1221 -4.1221 -0.2730 -0.2730 -0.2464 -0.2464 0.1824 0.1824 0.2231 0.2231 0.4819 0.4819 0.5071 0.5071 1.0645 1.0645 1.1653 1.1653 1.7838 1.7838 1.8343 1.8343 2.2004 2.2004 2.2773 2.2773 2.4563 2.4563 2.5351 2.5351 2.8675 2.8675 3.0359 3.0359 3.1634 3.1634 3.2076 3.2076 3.5060 3.5060 3.5246 3.5246 3.8178 3.8178 3.8338 3.8338 4.0206 4.0206 4.0559 4.0559 6.3490 6.3490 6.4067 6.4067 6.8271 6.8271 6.9038 6.9038 7.1370 7.1370 7.1701 7.1701 7.8657 7.8657 k = 0.2368-0.0000 0.2148 ( 9278 PWs) bands (ev): -9.8250 -9.8250 -9.8228 -9.8228 -8.3622 -8.3622 -8.3586 -8.3586 -7.8598 -7.8598 -7.8577 -7.8577 -7.4618 -7.4618 -7.4609 -7.4609 -5.7429 -5.7429 -5.7424 -5.7424 -4.1725 -4.1725 -4.1650 -4.1650 -0.2866 -0.2866 -0.2601 -0.2601 0.1682 0.1682 0.2078 0.2078 0.4437 0.4437 0.4721 0.4721 1.0296 1.0296 1.1230 1.1230 1.7611 1.7611 1.8151 1.8151 2.1621 2.1621 2.2585 2.2585 2.4275 2.4275 2.5214 2.5214 2.8659 2.8659 3.0216 3.0216 3.1594 3.1594 3.1985 3.1985 3.5341 3.5341 3.5505 3.5505 3.8115 3.8115 3.8425 3.8425 3.9969 3.9969 4.0303 4.0303 6.3554 6.3554 6.4147 6.4147 6.8486 6.8486 6.9238 6.9238 7.1734 7.1734 7.2036 7.2036 7.9038 7.9038 k = 0.2500-0.0000 0.2148 ( 9270 PWs) bands (ev): -9.7931 -9.7931 -9.7908 -9.7908 -8.3758 -8.3758 -8.3720 -8.3720 -7.8452 -7.8452 -7.8432 -7.8432 -7.4584 -7.4584 -7.4575 -7.4575 -5.7363 -5.7363 -5.7358 -5.7358 -4.2172 -4.2172 -4.2097 -4.2097 -0.2999 -0.2999 -0.2739 -0.2739 0.1546 0.1546 0.1919 0.1919 0.4092 0.4092 0.4407 0.4407 0.9934 0.9934 1.0806 1.0806 1.7381 1.7381 1.7942 1.7942 2.1205 2.1205 2.2355 2.2355 2.3998 2.3998 2.5085 2.5085 2.8685 2.8685 3.0110 3.0110 3.1559 3.1559 3.1903 3.1903 3.5593 3.5593 3.5709 3.5709 3.8054 3.8054 3.8540 3.8540 3.9762 3.9762 4.0068 4.0068 6.3629 6.3629 6.4236 6.4236 6.8671 6.8671 6.9403 6.9403 7.2051 7.2051 7.2321 7.2321 7.9366 7.9366 k = 0.2632-0.0000 0.2148 ( 9280 PWs) bands (ev): -9.7597 -9.7597 -9.7573 -9.7573 -8.3915 -8.3915 -8.3875 -8.3875 -7.8300 -7.8300 -7.8280 -7.8280 -7.4553 -7.4553 -7.4543 -7.4543 -5.7282 -5.7282 -5.7276 -5.7276 -4.2636 -4.2636 -4.2561 -4.2561 -0.3126 -0.3126 -0.2874 -0.2874 0.1397 0.1397 0.1739 0.1739 0.3797 0.3797 0.4141 0.4141 0.9565 0.9565 1.0385 1.0385 1.7150 1.7150 1.7717 1.7717 2.0760 2.0760 2.2063 2.2063 2.3769 2.3769 2.4973 2.4973 2.8740 2.8740 3.0038 3.0038 3.1530 3.1530 3.1831 3.1831 3.5798 3.5798 3.5836 3.5836 3.7995 3.7995 3.8677 3.8677 3.9602 3.9602 3.9875 3.9875 6.3714 6.3714 6.4334 6.4334 6.8829 6.8829 6.9537 6.9537 7.2310 7.2310 7.2548 7.2548 7.9642 7.9642 k = 0.2763-0.0000 0.2148 ( 9276 PWs) bands (ev): -9.7250 -9.7250 -9.7225 -9.7225 -8.4093 -8.4093 -8.4051 -8.4051 -7.8140 -7.8140 -7.8120 -7.8120 -7.4526 -7.4526 -7.4516 -7.4516 -5.7182 -5.7182 -5.7175 -5.7175 -4.3115 -4.3115 -4.3040 -4.3040 -0.3243 -0.3243 -0.3002 -0.3002 0.1220 0.1220 0.1527 0.1527 0.3565 0.3565 0.3933 0.3933 0.9194 0.9194 0.9973 0.9973 1.6916 1.6916 1.7478 1.7478 2.0293 2.0293 2.1708 2.1708 2.3606 2.3606 2.4879 2.4879 2.8809 2.8809 2.9998 2.9998 3.1508 3.1508 3.1767 3.1767 3.5872 3.5872 3.5935 3.5935 3.7946 3.7946 3.8817 3.8817 3.9500 3.9500 3.9754 3.9754 6.3810 6.3810 6.4439 6.4439 6.8964 6.8964 6.9643 6.9643 7.2506 7.2506 7.2712 7.2712 7.9839 7.9839 k = 0.2895-0.0000 0.2148 ( 9264 PWs) bands (ev): -9.6890 -9.6890 -9.6863 -9.6863 -8.4293 -8.4293 -8.4250 -8.4250 -7.7974 -7.7974 -7.7955 -7.7955 -7.4503 -7.4503 -7.4493 -7.4493 -5.7063 -5.7063 -5.7055 -5.7055 -4.3607 -4.3607 -4.3534 -4.3534 -0.3349 -0.3349 -0.3121 -0.3121 0.1006 0.1006 0.1278 0.1278 0.3403 0.3403 0.3785 0.3785 0.8828 0.8828 0.9576 0.9576 1.6680 1.6680 1.7228 1.7228 1.9809 1.9809 2.1303 2.1303 2.3506 2.3506 2.4807 2.4807 2.8880 2.8880 2.9984 2.9984 3.1490 3.1490 3.1713 3.1713 3.5812 3.5812 3.5985 3.5985 3.7918 3.7918 3.8929 3.8929 3.9464 3.9464 3.9740 3.9740 6.3915 6.3915 6.4550 6.4550 6.9080 6.9080 6.9726 6.9726 7.2638 7.2638 7.2814 7.2814 7.9855 7.9855 k = 0.3026-0.0000 0.2148 ( 9252 PWs) bands (ev): -9.6517 -9.6517 -9.6489 -9.6489 -8.4516 -8.4516 -8.4470 -8.4470 -7.7804 -7.7804 -7.7785 -7.7785 -7.4487 -7.4487 -7.4476 -7.4476 -5.6924 -5.6924 -5.6915 -5.6915 -4.4112 -4.4112 -4.4039 -4.4039 -0.3440 -0.3440 -0.3228 -0.3228 0.0757 0.0757 0.0998 0.0998 0.3306 0.3306 0.3690 0.3690 0.8472 0.8472 0.9198 0.9198 1.6441 1.6441 1.6967 1.6967 1.9320 1.9320 2.0871 2.0871 2.3458 2.3458 2.4758 2.4758 2.8944 2.8944 2.9993 2.9993 3.1474 3.1474 3.1670 3.1670 3.5665 3.5665 3.5944 3.5944 3.7927 3.7927 3.8998 3.8998 3.9487 3.9487 3.9844 3.9844 6.4027 6.4027 6.4665 6.4665 6.9180 6.9180 6.9789 6.9789 7.2708 7.2708 7.2857 7.2857 7.9610 7.9610 k = 0.3158-0.0000 0.2148 ( 9262 PWs) bands (ev): -9.6133 -9.6133 -9.6103 -9.6103 -8.4760 -8.4760 -8.4713 -8.4713 -7.7629 -7.7629 -7.7610 -7.7610 -7.4476 -7.4476 -7.4465 -7.4465 -5.6764 -5.6764 -5.6753 -5.6753 -4.4626 -4.4626 -4.4555 -4.4555 -0.3518 -0.3518 -0.3322 -0.3322 0.0483 0.0483 0.0695 0.0695 0.3263 0.3263 0.3638 0.3638 0.8130 0.8130 0.8841 0.8841 1.6196 1.6196 1.6699 1.6699 1.8834 1.8834 2.0432 2.0432 2.3449 2.3449 2.4731 2.4731 2.8988 2.8988 3.0019 3.0019 3.1460 3.1460 3.1641 3.1641 3.5444 3.5444 3.5820 3.5820 3.7976 3.7976 3.9045 3.9045 3.9556 3.9556 4.0028 4.0028 6.4146 6.4146 6.4781 6.4781 6.9267 6.9267 6.9833 6.9833 7.2722 7.2722 7.2846 7.2846 7.9127 7.9127 k = 0.3289-0.0000 0.2148 ( 9256 PWs) bands (ev): -9.5737 -9.5737 -9.5706 -9.5706 -8.5025 -8.5025 -8.4977 -8.4977 -7.7451 -7.7451 -7.7433 -7.7433 -7.4471 -7.4471 -7.4460 -7.4460 -5.6582 -5.6582 -5.6570 -5.6570 -4.5149 -4.5149 -4.5080 -4.5080 -0.3582 -0.3582 -0.3406 -0.3406 0.0197 0.0197 0.0382 0.0382 0.3259 0.3259 0.3616 0.3616 0.7808 0.7808 0.8509 0.8509 1.5945 1.5945 1.6425 1.6425 1.8361 1.8361 2.0000 2.0000 2.3472 2.3472 2.4727 2.4727 2.9005 2.9005 3.0056 3.0056 3.1444 3.1444 3.1630 3.1630 3.5169 3.5169 3.5637 3.5637 3.8059 3.8059 3.9100 3.9100 3.9656 3.9656 4.0249 4.0249 6.4269 6.4269 6.4897 6.4897 6.9344 6.9344 6.9863 6.9863 7.2689 7.2689 7.2789 7.2789 7.8577 7.8577 k = 0.3421-0.0000 0.2148 ( 9254 PWs) bands (ev): -9.5331 -9.5331 -9.5299 -9.5299 -8.5312 -8.5312 -8.5263 -8.5263 -7.7272 -7.7272 -7.7254 -7.7254 -7.4474 -7.4474 -7.4463 -7.4463 -5.6378 -5.6378 -5.6364 -5.6364 -4.5677 -4.5677 -4.5611 -4.5611 -0.3632 -0.3632 -0.3478 -0.3478 -0.0090 -0.0090 0.0067 0.0067 0.3284 0.3284 0.3616 0.3616 0.7508 0.7508 0.8202 0.8202 1.5687 1.5687 1.6151 1.6151 1.7908 1.7908 1.9583 1.9583 2.3522 2.3522 2.4747 2.4747 2.8985 2.8985 3.0097 3.0097 3.1427 3.1427 3.1640 3.1640 3.4862 3.4862 3.5420 3.5420 3.8166 3.8166 3.9172 3.9172 3.9772 3.9772 4.0478 4.0478 6.4395 6.4395 6.5012 6.5012 6.9414 6.9414 6.9879 6.9879 7.2618 7.2618 7.2694 7.2694 7.8011 7.8011 k = 0.3553-0.0000 0.2148 ( 9268 PWs) bands (ev): -9.4916 -9.4916 -9.4882 -9.4882 -8.5619 -8.5619 -8.5569 -8.5569 -7.7092 -7.7092 -7.7074 -7.7074 -7.4485 -7.4485 -7.4473 -7.4473 -5.6152 -5.6152 -5.6136 -5.6136 -4.6210 -4.6210 -4.6146 -4.6146 -0.3671 -0.3671 -0.3541 -0.3541 -0.0369 -0.0369 -0.0241 -0.0241 0.3327 0.3327 0.3630 0.3630 0.7232 0.7232 0.7920 0.7920 1.5424 1.5424 1.5882 1.5882 1.7482 1.7482 1.9186 1.9186 2.3597 2.3597 2.4789 2.4789 2.8922 2.8922 3.0135 3.0135 3.1408 3.1408 3.1675 3.1675 3.4540 3.4540 3.5188 3.5188 3.8290 3.8290 3.9262 3.9262 3.9894 3.9894 4.0701 4.0701 6.4523 6.4523 6.5124 6.5124 6.9480 6.9480 6.9883 6.9883 7.2519 7.2519 7.2570 7.2570 7.7449 7.7449 k = 0.3684-0.0000 0.2148 ( 9274 PWs) bands (ev): -9.4491 -9.4491 -9.4457 -9.4457 -8.5945 -8.5945 -8.5895 -8.5895 -7.6912 -7.6912 -7.6895 -7.6895 -7.4504 -7.4504 -7.4491 -7.4491 -5.5903 -5.5903 -5.5885 -5.5885 -4.6745 -4.6745 -4.6684 -4.6684 -0.3698 -0.3698 -0.3597 -0.3597 -0.0632 -0.0632 -0.0537 -0.0537 0.3383 0.3383 0.3656 0.3656 0.6979 0.6979 0.7661 0.7661 1.5160 1.5160 1.5624 1.5624 1.7086 1.7086 1.8810 1.8810 2.3696 2.3696 2.4855 2.4855 2.8814 2.8814 3.0157 3.0157 3.1390 3.1390 3.1732 3.1732 3.4222 3.4222 3.4955 3.4955 3.8427 3.8427 3.9366 3.9366 4.0011 4.0011 4.0910 4.0910 6.4651 6.4651 6.5232 6.5232 6.9542 6.9542 6.9876 6.9876 7.2402 7.2402 7.2427 7.2427 7.6898 7.6898 k = 0.3816-0.0000 0.2148 ( 9272 PWs) bands (ev): -9.4060 -9.4060 -9.4024 -9.4024 -8.6289 -8.6289 -8.6239 -8.6239 -7.6735 -7.6735 -7.6718 -7.6718 -7.4531 -7.4531 -7.4518 -7.4518 -5.5633 -5.5633 -5.5612 -5.5612 -4.7280 -4.7280 -4.7222 -4.7222 -0.3716 -0.3716 -0.3646 -0.3646 -0.0875 -0.0875 -0.0816 -0.0816 0.3448 0.3448 0.3692 0.3692 0.6748 0.6748 0.7421 0.7421 1.4902 1.4902 1.5386 1.5386 1.6719 1.6719 1.8456 1.8456 2.3818 2.3818 2.4944 2.4944 2.8662 2.8662 3.0150 3.0150 3.1377 3.1377 3.1812 3.1812 3.3921 3.3921 3.4730 3.4730 3.8572 3.8572 3.9480 3.9480 4.0116 4.0116 4.1099 4.1099 6.4778 6.4778 6.5335 6.5335 6.9603 6.9603 6.9860 6.9860 7.2273 7.2273 7.2278 7.2278 7.6367 7.6367 k = 0.3947-0.0000 0.2148 ( 9270 PWs) bands (ev): -9.3621 -9.3621 -9.3584 -9.3584 -8.6651 -8.6651 -8.6600 -8.6600 -7.6560 -7.6560 -7.6543 -7.6543 -7.4566 -7.4566 -7.4554 -7.4554 -5.5342 -5.5342 -5.5318 -5.5318 -4.7813 -4.7813 -4.7757 -4.7757 -0.3727 -0.3727 -0.3692 -0.3692 -0.1094 -0.1094 -0.1075 -0.1075 0.3523 0.3523 0.3738 0.3738 0.6536 0.6536 0.7196 0.7196 1.4661 1.4661 1.5176 1.5176 1.6380 1.6380 1.8123 1.8123 2.3963 2.3963 2.5056 2.5056 2.8469 2.8469 3.0101 3.0101 3.1376 3.1376 3.1909 3.1909 3.3648 3.3648 3.4517 3.4517 3.8723 3.8723 3.9600 3.9600 4.0206 4.0206 4.1267 4.1267 6.4902 6.4902 6.5433 6.5433 6.9662 6.9662 6.9834 6.9834 7.2116 7.2116 7.2157 7.2157 7.5859 7.5859 k = 0.4079-0.0000 0.2148 ( 9272 PWs) bands (ev): -9.3176 -9.3176 -9.3138 -9.3138 -8.7028 -8.7028 -8.6978 -8.6978 -7.6390 -7.6390 -7.6373 -7.6373 -7.4610 -7.4610 -7.4598 -7.4598 -5.5031 -5.5031 -5.5004 -5.5004 -4.8340 -4.8340 -4.8288 -4.8288 -0.3734 -0.3734 -0.3731 -0.3731 -0.1311 -0.1311 -0.1288 -0.1288 0.3608 0.3608 0.3795 0.3795 0.6337 0.6337 0.6983 0.6983 1.4447 1.4447 1.5000 1.5000 1.6066 1.6066 1.7810 1.7810 2.4132 2.4132 2.5189 2.5189 2.8242 2.8242 3.0001 3.0001 3.1393 3.1393 3.2019 3.2019 3.3413 3.3413 3.4319 3.4319 3.8877 3.8877 3.9721 3.9721 4.0277 4.0277 4.1411 4.1411 6.5023 6.5023 6.5526 6.5526 6.9718 6.9718 6.9798 6.9798 7.1967 7.1967 7.2048 7.2048 7.5382 7.5382 k = 0.4211-0.0000 0.2148 ( 9274 PWs) bands (ev): -9.2727 -9.2727 -9.2687 -9.2687 -8.7420 -8.7420 -8.7370 -8.7370 -7.6225 -7.6225 -7.6209 -7.6209 -7.4663 -7.4663 -7.4650 -7.4650 -5.4702 -5.4702 -5.4672 -5.4672 -4.8858 -4.8858 -4.8810 -4.8810 -0.3773 -0.3773 -0.3731 -0.3731 -0.1522 -0.1522 -0.1455 -0.1455 0.3703 0.3703 0.3863 0.3863 0.6147 0.6147 0.6777 0.6777 1.4269 1.4269 1.4862 1.4862 1.5775 1.5775 1.7519 1.7519 2.4322 2.4322 2.5340 2.5340 2.7987 2.7987 2.9851 2.9851 3.1428 3.1428 3.2137 3.2137 3.3216 3.3216 3.4138 3.4138 3.9029 3.9029 3.9838 3.9838 4.0328 4.0328 4.1532 4.1532 6.5138 6.5138 6.5611 6.5611 6.9754 6.9754 6.9770 6.9770 7.1834 7.1834 7.1959 7.1959 7.4940 7.4940 k = 0.4342-0.0000 0.2148 ( 9280 PWs) bands (ev): -9.2274 -9.2274 -9.2233 -9.2233 -8.7825 -8.7825 -8.7775 -8.7775 -7.6068 -7.6068 -7.6052 -7.6052 -7.4723 -7.4723 -7.4711 -7.4711 -5.4359 -5.4359 -5.4325 -5.4325 -4.9364 -4.9364 -4.9320 -4.9320 -0.3809 -0.3809 -0.3727 -0.3727 -0.1705 -0.1705 -0.1595 -0.1595 0.3809 0.3809 0.3943 0.3943 0.5962 0.5962 0.6580 0.6580 1.4134 1.4134 1.4764 1.4764 1.5506 1.5506 1.7251 1.7251 2.4531 2.4531 2.5503 2.5503 2.7712 2.7712 2.9662 2.9662 3.1475 3.1475 3.2259 3.2259 3.3058 3.3058 3.3974 3.3974 3.9177 3.9177 3.9948 3.9948 4.0358 4.0358 4.1630 4.1630 6.5244 6.5244 6.5689 6.5689 6.9702 6.9702 6.9816 6.9816 7.1723 7.1723 7.1895 7.1895 7.4538 7.4538 k = 0.4474-0.0000 0.2148 ( 9282 PWs) bands (ev): -9.1819 -9.1819 -9.1777 -9.1777 -8.8242 -8.8242 -8.8192 -8.8192 -7.5921 -7.5921 -7.5905 -7.5905 -7.4790 -7.4790 -7.4777 -7.4777 -5.4007 -5.4007 -5.3968 -5.3968 -4.9850 -4.9850 -4.9811 -4.9811 -0.3841 -0.3841 -0.3721 -0.3721 -0.1859 -0.1859 -0.1709 -0.1709 0.3925 0.3925 0.4032 0.4032 0.5783 0.5783 0.6392 0.6392 1.4043 1.4043 1.4704 1.4704 1.5262 1.5262 1.7011 1.7011 2.4755 2.4755 2.5671 2.5671 2.7427 2.7427 2.9454 2.9454 3.1529 3.1529 3.2379 3.2379 3.2934 3.2934 3.3826 3.3826 3.9316 3.9316 4.0045 4.0045 4.0369 4.0369 4.1707 4.1707 6.5338 6.5338 6.5757 6.5757 6.9647 6.9647 6.9852 6.9852 7.1640 7.1640 7.1857 7.1857 7.4186 7.4186 k = 0.4605-0.0000 0.2148 ( 9276 PWs) bands (ev): -9.1362 -9.1362 -9.1319 -9.1319 -8.8669 -8.8669 -8.8620 -8.8620 -7.5788 -7.5788 -7.5771 -7.5771 -7.4860 -7.4860 -7.4847 -7.4847 -5.3655 -5.3655 -5.3610 -5.3610 -5.0307 -5.0307 -5.0274 -5.0274 -0.3868 -0.3868 -0.3715 -0.3715 -0.1982 -0.1982 -0.1796 -0.1796 0.4046 0.4046 0.4123 0.4123 0.5612 0.5612 0.6222 0.6222 1.3997 1.3997 1.4675 1.4675 1.5046 1.5046 1.6807 1.6807 2.4988 2.4988 2.5832 2.5832 2.7143 2.7143 2.9250 2.9250 3.1581 3.1581 3.2492 3.2492 3.2841 3.2841 3.3697 3.3697 3.9439 3.9439 4.0126 4.0126 4.0365 4.0365 4.1763 4.1763 6.5418 6.5418 6.5814 6.5814 6.9594 6.9594 6.9878 6.9878 7.1588 7.1588 7.1842 7.1842 7.3891 7.3891 k = 0.4737-0.0000 0.2148 ( 9282 PWs) bands (ev): -9.0906 -9.0906 -9.0862 -9.0862 -8.9103 -8.9103 -8.9055 -8.9055 -7.5674 -7.5674 -7.5658 -7.5658 -7.4928 -7.4928 -7.4915 -7.4915 -5.3325 -5.3325 -5.3273 -5.3273 -5.0712 -5.0712 -5.0686 -5.0686 -0.3888 -0.3888 -0.3709 -0.3709 -0.2071 -0.2071 -0.1857 -0.1857 0.4162 0.4162 0.4206 0.4206 0.5460 0.5460 0.6081 0.6081 1.3986 1.3986 1.4668 1.4668 1.4869 1.4869 1.6648 1.6648 2.5215 2.5215 2.5970 2.5970 2.6877 2.6877 2.9074 2.9074 3.1624 3.1624 3.2589 3.2589 3.2775 3.2775 3.3590 3.3590 3.9539 3.9539 4.0188 4.0188 4.0351 4.0351 4.1802 4.1802 6.5478 6.5478 6.5856 6.5856 6.9549 6.9549 6.9894 6.9894 7.1562 7.1562 7.1843 7.1843 7.3666 7.3666 k = 0.4868-0.0000 0.2148 ( 9296 PWs) bands (ev): -9.0453 -9.0453 -9.0407 -9.0407 -8.9544 -8.9544 -8.9497 -8.9497 -7.5593 -7.5593 -7.5576 -7.5576 -7.4982 -7.4982 -7.4970 -7.4970 -5.3063 -5.3063 -5.3004 -5.3004 -5.1020 -5.1020 -5.1001 -5.1001 -0.3901 -0.3901 -0.3705 -0.3705 -0.2125 -0.2125 -0.1894 -0.1894 0.4251 0.4251 0.4266 0.4266 0.5349 0.5349 0.5986 0.5986 1.3995 1.3995 1.4671 1.4671 1.4747 1.4747 1.6545 1.6545 2.5402 2.5402 2.6065 2.6065 2.6665 2.6665 2.8953 2.8953 3.1653 3.1653 3.2658 3.2658 3.2735 3.2735 3.3517 3.3517 3.9606 3.9606 4.0226 4.0226 4.0336 4.0336 4.1824 4.1824 6.5516 6.5516 6.5883 6.5883 6.9520 6.9520 6.9901 6.9901 7.1553 7.1553 7.1850 7.1850 7.3523 7.3523 k = 0.5000-0.0000 0.2148 ( 9296 PWs) bands (ev): -9.0056 -9.0056 -9.0009 -9.0009 -8.9936 -8.9936 -8.9891 -8.9891 -7.5562 -7.5562 -7.5545 -7.5545 -7.5004 -7.5004 -7.4992 -7.4992 -5.2955 -5.2955 -5.2892 -5.2892 -5.1142 -5.1142 -5.1128 -5.1128 -0.3905 -0.3905 -0.3704 -0.3704 -0.2144 -0.2144 -0.1906 -0.1906 0.4287 0.4287 0.4288 0.4288 0.5306 0.5306 0.5951 0.5951 1.4002 1.4002 1.4673 1.4673 1.4702 1.4702 1.6510 1.6510 2.5481 2.5481 2.6100 2.6100 2.6577 2.6577 2.8910 2.8910 3.1663 3.1663 3.2683 3.2683 3.2722 3.2722 3.3490 3.3490 3.9630 3.9630 4.0239 4.0239 4.0330 4.0330 4.1831 4.1831 6.5529 6.5529 6.5892 6.5892 6.9509 6.9509 6.9904 6.9904 7.1551 7.1551 7.1853 7.1853 7.3474 7.3474 Writing output data file AsSeI.save init_run : 0.29s CPU 0.39s WALL ( 1 calls) electrons : 315.77s CPU 319.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 315.76s CPU 319.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.14s WALL ( 227 calls) cegterg : 290.50s CPU 293.12s WALL ( 230 calls) Called by sum_band: Called by *egterg: h_psi : 163.36s CPU 165.09s WALL ( 4650 calls) s_psi : 14.26s CPU 14.13s WALL ( 4650 calls) g_psi : 0.60s CPU 0.57s WALL ( 4193 calls) cdiaghg : 86.60s CPU 87.35s WALL ( 4420 calls) cegterg:over : 18.07s CPU 18.27s WALL ( 4193 calls) cegterg:upda : 15.51s CPU 15.79s WALL ( 4193 calls) cegterg:last : 7.96s CPU 8.01s WALL ( 684 calls) cdiaghg:chol : 5.29s CPU 5.26s WALL ( 4420 calls) cdiaghg:inve : 3.80s CPU 3.90s WALL ( 4420 calls) cdiaghg:para : 6.96s CPU 7.09s WALL ( 8840 calls) Called by h_psi: h_psi:vloc : 134.85s CPU 136.62s WALL ( 4650 calls) h_psi:vnl : 27.97s CPU 27.91s WALL ( 4650 calls) add_vuspsi : 14.30s CPU 14.37s WALL ( 4650 calls) General routines calbec : 13.66s CPU 13.52s WALL ( 4650 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.51s CPU 129.09s WALL ( 824476 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.51s WALL ( 454 calls) Parallel routines fft_scatter : 46.70s CPU 47.63s WALL ( 824499 calls) PWSCF : 5m44.84s CPU 6m 9.87s WALL This run was terminated on: 11:21:15 30Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=