Program PWSCF v.5.4.0 starts on 20Mar2017 at 22:34:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H3AuC2NCl.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 18 5 3172 896 139 Max 43 19 6 3184 922 144 Sum 3075 1335 389 228817 65441 10177 bravais-lattice index = 14 lattice parameter (alat) = 11.7125 a.u. unit-cell volume = 1552.2449 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 5 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.712522 celldm(2)= 0.664085 celldm(3)= 1.457083 celldm(4)= 0.056693 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 0.664085 0.000000 ) a(3) = ( 0.000000 0.082606 1.454739 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.505831 -0.085507 ) b(3) = ( 0.000000 0.000000 0.687408 ) PseudoPot. # 1 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd 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 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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. # 5 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca 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 1157 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 N 5.00 14.00670 N( 1.00) H 1.00 1.00790 H( 1.00) Au 11.00 196.96660 Au( 1.00) C 4.00 12.01070 C( 1.00) Cl 7.00 35.45300 Cl( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 239 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0000000 0.0000000 0.0190947), wk = 0.0041841 k( 3) = ( 0.0000000 0.0000000 0.0381894), wk = 0.0041841 k( 4) = ( 0.0000000 0.0000000 0.0572840), wk = 0.0041841 k( 5) = ( 0.0000000 0.0000000 0.0763787), wk = 0.0041841 k( 6) = ( 0.0000000 0.0000000 0.0954734), wk = 0.0041841 k( 7) = ( 0.0000000 0.0000000 0.1145681), wk = 0.0041841 k( 8) = ( 0.0000000 0.0000000 0.1336627), wk = 0.0041841 k( 9) = ( 0.0000000 0.0000000 0.1527574), wk = 0.0041841 k( 10) = ( 0.0000000 0.0000000 0.1718521), wk = 0.0041841 k( 11) = ( 0.0000000 0.0000000 0.1909468), wk = 0.0041841 k( 12) = ( 0.0000000 0.0000000 0.2100414), wk = 0.0041841 k( 13) = ( 0.0000000 0.0000000 0.2291361), wk = 0.0041841 k( 14) = ( 0.0000000 0.0000000 0.2482308), wk = 0.0041841 k( 15) = ( 0.0000000 0.0000000 0.2673255), wk = 0.0041841 k( 16) = ( 0.0000000 0.0000000 0.2864201), wk = 0.0041841 k( 17) = ( 0.0000000 0.0000000 0.3055148), wk = 0.0041841 k( 18) = ( 0.0000000 0.0000000 0.3246095), wk = 0.0041841 k( 19) = ( 0.0000000 0.0000000 0.3437042), wk = 0.0041841 k( 20) = ( 0.0000000 0.0000000 0.3437042), wk = 0.0041841 k( 21) = ( 0.0000000 0.0193638 0.3437042), wk = 0.0041841 k( 22) = ( 0.0000000 0.0387277 0.3437042), wk = 0.0041841 k( 23) = ( 0.0000000 0.0580915 0.3437042), wk = 0.0041841 k( 24) = ( 0.0000000 0.0774554 0.3437042), wk = 0.0041841 k( 25) = ( 0.0000000 0.0968192 0.3437042), wk = 0.0041841 k( 26) = ( 0.0000000 0.1161831 0.3437042), wk = 0.0041841 k( 27) = ( 0.0000000 0.1355469 0.3437042), wk = 0.0041841 k( 28) = ( 0.0000000 0.1549108 0.3437042), wk = 0.0041841 k( 29) = ( 0.0000000 0.1742746 0.3437042), wk = 0.0041841 k( 30) = ( 0.0000000 0.1936385 0.3437042), wk = 0.0041841 k( 31) = ( 0.0000000 0.2130023 0.3437042), wk = 0.0041841 k( 32) = ( 0.0000000 0.2323662 0.3437042), wk = 0.0041841 k( 33) = ( 0.0000000 0.2517300 0.3437042), wk = 0.0041841 k( 34) = ( 0.0000000 0.2710939 0.3437042), wk = 0.0041841 k( 35) = ( 0.0000000 0.2904577 0.3437042), wk = 0.0041841 k( 36) = ( 0.0000000 0.3098216 0.3437042), wk = 0.0041841 k( 37) = ( 0.0000000 0.3291854 0.3437042), wk = 0.0041841 k( 38) = ( 0.0000000 0.3485493 0.3437042), wk = 0.0041841 k( 39) = ( 0.0000000 0.3679131 0.3437042), wk = 0.0041841 k( 40) = ( 0.0000000 0.3872770 0.3437042), wk = 0.0041841 k( 41) = ( 0.0000000 0.4066408 0.3437042), wk = 0.0041841 k( 42) = ( 0.0000000 0.4260047 0.3437042), wk = 0.0041841 k( 43) = ( 0.0000000 0.4453685 0.3437042), wk = 0.0041841 k( 44) = ( 0.0000000 0.4647324 0.3437042), wk = 0.0041841 k( 45) = ( 0.0000000 0.4840962 0.3437042), wk = 0.0041841 k( 46) = ( 0.0000000 0.5034601 0.3437042), wk = 0.0041841 k( 47) = ( 0.0000000 0.5228239 0.3437042), wk = 0.0041841 k( 48) = ( 0.0000000 0.5421878 0.3437042), wk = 0.0041841 k( 49) = ( 0.0000000 0.5615516 0.3437042), wk = 0.0041841 k( 50) = ( 0.0000000 0.5809155 0.3437042), wk = 0.0041841 k( 51) = ( 0.0000000 0.6002793 0.3437042), wk = 0.0041841 k( 52) = ( 0.0000000 0.6196432 0.3437042), wk = 0.0041841 k( 53) = ( 0.0000000 0.6390070 0.3437042), wk = 0.0041841 k( 54) = ( 0.0000000 0.6583708 0.3437042), wk = 0.0041841 k( 55) = ( 0.0000000 0.6777347 0.3437042), wk = 0.0041841 k( 56) = ( 0.0000000 0.6970985 0.3437042), wk = 0.0041841 k( 57) = ( 0.0000000 0.7164624 0.3437042), wk = 0.0041841 k( 58) = ( 0.0000000 0.7358262 0.3437042), wk = 0.0041841 k( 59) = ( 0.0000000 0.7358262 0.3437042), wk = 0.0041841 k( 60) = ( 0.0000000 0.7415227 0.3294529), wk = 0.0041841 k( 61) = ( 0.0000000 0.7472190 0.3152017), wk = 0.0041841 k( 62) = ( 0.0000000 0.7529155 0.3009505), wk = 0.0041841 k( 63) = ( 0.0000000 0.7529155 0.3009505), wk = 0.0041841 k( 64) = ( 0.0192308 0.7529155 0.3009505), wk = 0.0041841 k( 65) = ( 0.0384615 0.7529155 0.3009505), wk = 0.0041841 k( 66) = ( 0.0576923 0.7529155 0.3009505), wk = 0.0041841 k( 67) = ( 0.0769231 0.7529155 0.3009505), wk = 0.0041841 k( 68) = ( 0.0961538 0.7529155 0.3009505), wk = 0.0041841 k( 69) = ( 0.1153846 0.7529155 0.3009505), wk = 0.0041841 k( 70) = ( 0.1346154 0.7529155 0.3009505), wk = 0.0041841 k( 71) = ( 0.1538461 0.7529155 0.3009505), wk = 0.0041841 k( 72) = ( 0.1730769 0.7529155 0.3009505), wk = 0.0041841 k( 73) = ( 0.1923077 0.7529155 0.3009505), wk = 0.0041841 k( 74) = ( 0.2115385 0.7529155 0.3009505), wk = 0.0041841 k( 75) = ( 0.2307692 0.7529155 0.3009505), wk = 0.0041841 k( 76) = ( 0.2500000 0.7529155 0.3009505), wk = 0.0041841 k( 77) = ( 0.2692308 0.7529155 0.3009505), wk = 0.0041841 k( 78) = ( 0.2884615 0.7529155 0.3009505), wk = 0.0041841 k( 79) = ( 0.3076923 0.7529155 0.3009505), wk = 0.0041841 k( 80) = ( 0.3269231 0.7529155 0.3009505), wk = 0.0041841 k( 81) = ( 0.3461538 0.7529155 0.3009505), wk = 0.0041841 k( 82) = ( 0.3653846 0.7529155 0.3009505), wk = 0.0041841 k( 83) = ( 0.3846154 0.7529155 0.3009505), wk = 0.0041841 k( 84) = ( 0.4038462 0.7529155 0.3009505), wk = 0.0041841 k( 85) = ( 0.4230769 0.7529155 0.3009505), wk = 0.0041841 k( 86) = ( 0.4423077 0.7529155 0.3009505), wk = 0.0041841 k( 87) = ( 0.4615385 0.7529155 0.3009505), wk = 0.0041841 k( 88) = ( 0.4807692 0.7529155 0.3009505), wk = 0.0041841 k( 89) = ( 0.5000000 0.7529155 0.3009505), wk = 0.0041841 k( 90) = ( 0.5000000 0.7529155 0.3009505), wk = 0.0041841 k( 91) = ( 0.5000000 0.7586119 0.2866993), wk = 0.0041841 k( 92) = ( 0.5000000 0.7643083 0.2724481), wk = 0.0041841 k( 93) = ( 0.5000000 0.7700047 0.2581969), wk = 0.0041841 k( 94) = ( 0.5000000 0.7700047 0.2581969), wk = 0.0041841 k( 95) = ( 0.5000000 0.7689366 0.2393875), wk = 0.0041841 k( 96) = ( 0.5000000 0.7678685 0.2205781), wk = 0.0041841 k( 97) = ( 0.5000000 0.7668004 0.2017687), wk = 0.0041841 k( 98) = ( 0.5000000 0.7657324 0.1829593), wk = 0.0041841 k( 99) = ( 0.5000000 0.7646643 0.1641498), wk = 0.0041841 k( 100) = ( 0.5000000 0.7635962 0.1453404), wk = 0.0041841 k( 101) = ( 0.5000000 0.7625281 0.1265310), wk = 0.0041841 k( 102) = ( 0.5000000 0.7614601 0.1077216), wk = 0.0041841 k( 103) = ( 0.5000000 0.7603920 0.0889122), wk = 0.0041841 k( 104) = ( 0.5000000 0.7593239 0.0701028), wk = 0.0041841 k( 105) = ( 0.5000000 0.7582558 0.0512934), wk = 0.0041841 k( 106) = ( 0.5000000 0.7571878 0.0324840), wk = 0.0041841 k( 107) = ( 0.5000000 0.7561197 0.0136746), wk = 0.0041841 k( 108) = ( 0.5000000 0.7550516 -0.0051348), wk = 0.0041841 k( 109) = ( 0.5000000 0.7539835 -0.0239442), wk = 0.0041841 k( 110) = ( 0.5000000 0.7529155 -0.0427536), wk = 0.0041841 k( 111) = ( 0.5000000 0.7529155 -0.0427536), wk = 0.0041841 k( 112) = ( 0.4807692 0.7529155 -0.0427536), wk = 0.0041841 k( 113) = ( 0.4615385 0.7529155 -0.0427536), wk = 0.0041841 k( 114) = ( 0.4423077 0.7529155 -0.0427536), wk = 0.0041841 k( 115) = ( 0.4230769 0.7529155 -0.0427536), wk = 0.0041841 k( 116) = ( 0.4038462 0.7529155 -0.0427536), wk = 0.0041841 k( 117) = ( 0.3846154 0.7529155 -0.0427536), wk = 0.0041841 k( 118) = ( 0.3653846 0.7529155 -0.0427536), wk = 0.0041841 k( 119) = ( 0.3461538 0.7529155 -0.0427536), wk = 0.0041841 k( 120) = ( 0.3269231 0.7529155 -0.0427536), wk = 0.0041841 k( 121) = ( 0.3076923 0.7529155 -0.0427536), wk = 0.0041841 k( 122) = ( 0.2884615 0.7529155 -0.0427536), wk = 0.0041841 k( 123) = ( 0.2692308 0.7529155 -0.0427536), wk = 0.0041841 k( 124) = ( 0.2500000 0.7529155 -0.0427536), wk = 0.0041841 k( 125) = ( 0.2307692 0.7529155 -0.0427536), wk = 0.0041841 k( 126) = ( 0.2115385 0.7529155 -0.0427536), wk = 0.0041841 k( 127) = ( 0.1923077 0.7529155 -0.0427536), wk = 0.0041841 k( 128) = ( 0.1730769 0.7529155 -0.0427536), wk = 0.0041841 k( 129) = ( 0.1538461 0.7529155 -0.0427536), wk = 0.0041841 k( 130) = ( 0.1346154 0.7529155 -0.0427536), wk = 0.0041841 k( 131) = ( 0.1153846 0.7529155 -0.0427536), wk = 0.0041841 k( 132) = ( 0.0961538 0.7529155 -0.0427536), wk = 0.0041841 k( 133) = ( 0.0769231 0.7529155 -0.0427536), wk = 0.0041841 k( 134) = ( 0.0576923 0.7529155 -0.0427536), wk = 0.0041841 k( 135) = ( 0.0384615 0.7529155 -0.0427536), wk = 0.0041841 k( 136) = ( 0.0192308 0.7529155 -0.0427536), wk = 0.0041841 k( 137) = ( 0.0000000 0.7529155 -0.0427536), wk = 0.0041841 k( 138) = ( 0.0000000 0.7529155 -0.0427536), wk = 0.0041841 k( 139) = ( 0.0000000 0.7539835 -0.0239442), wk = 0.0041841 k( 140) = ( 0.0000000 0.7550516 -0.0051348), wk = 0.0041841 k( 141) = ( 0.0000000 0.7561197 0.0136746), wk = 0.0041841 k( 142) = ( 0.0000000 0.7571878 0.0324840), wk = 0.0041841 k( 143) = ( 0.0000000 0.7582558 0.0512934), wk = 0.0041841 k( 144) = ( 0.0000000 0.7593239 0.0701028), wk = 0.0041841 k( 145) = ( 0.0000000 0.7603920 0.0889122), wk = 0.0041841 k( 146) = ( 0.0000000 0.7614601 0.1077216), wk = 0.0041841 k( 147) = ( 0.0000000 0.7625281 0.1265310), wk = 0.0041841 k( 148) = ( 0.0000000 0.7635962 0.1453404), wk = 0.0041841 k( 149) = ( 0.0000000 0.7646643 0.1641498), wk = 0.0041841 k( 150) = ( 0.0000000 0.7657324 0.1829593), wk = 0.0041841 k( 151) = ( 0.0000000 0.7668004 0.2017687), wk = 0.0041841 k( 152) = ( 0.0000000 0.7678685 0.2205781), wk = 0.0041841 k( 153) = ( 0.0000000 0.7689366 0.2393875), wk = 0.0041841 k( 154) = ( 0.0000000 0.7700047 0.2581969), wk = 0.0041841 k( 155) = ( 0.5000000 0.7358262 0.3437042), wk = 0.0041841 k( 156) = ( 0.5000000 0.7164624 0.3437042), wk = 0.0041841 k( 157) = ( 0.5000000 0.6970985 0.3437042), wk = 0.0041841 k( 158) = ( 0.5000000 0.6777347 0.3437042), wk = 0.0041841 k( 159) = ( 0.5000000 0.6583708 0.3437042), wk = 0.0041841 k( 160) = ( 0.5000000 0.6390070 0.3437042), wk = 0.0041841 k( 161) = ( 0.5000000 0.6196432 0.3437042), wk = 0.0041841 k( 162) = ( 0.5000000 0.6002793 0.3437042), wk = 0.0041841 k( 163) = ( 0.5000000 0.5809155 0.3437042), wk = 0.0041841 k( 164) = ( 0.5000000 0.5615516 0.3437042), wk = 0.0041841 k( 165) = ( 0.5000000 0.5421878 0.3437042), wk = 0.0041841 k( 166) = ( 0.5000000 0.5228239 0.3437042), wk = 0.0041841 k( 167) = ( 0.5000000 0.5034601 0.3437042), wk = 0.0041841 k( 168) = ( 0.5000000 0.4840962 0.3437042), wk = 0.0041841 k( 169) = ( 0.5000000 0.4647324 0.3437042), wk = 0.0041841 k( 170) = ( 0.5000000 0.4453685 0.3437042), wk = 0.0041841 k( 171) = ( 0.5000000 0.4260047 0.3437042), wk = 0.0041841 k( 172) = ( 0.5000000 0.4066408 0.3437042), wk = 0.0041841 k( 173) = ( 0.5000000 0.3872770 0.3437042), wk = 0.0041841 k( 174) = ( 0.5000000 0.3679131 0.3437042), wk = 0.0041841 k( 175) = ( 0.5000000 0.3485493 0.3437042), wk = 0.0041841 k( 176) = ( 0.5000000 0.3291854 0.3437042), wk = 0.0041841 k( 177) = ( 0.5000000 0.3098216 0.3437042), wk = 0.0041841 k( 178) = ( 0.5000000 0.2904577 0.3437042), wk = 0.0041841 k( 179) = ( 0.5000000 0.2710939 0.3437042), wk = 0.0041841 k( 180) = ( 0.5000000 0.2517300 0.3437042), wk = 0.0041841 k( 181) = ( 0.5000000 0.2323662 0.3437042), wk = 0.0041841 k( 182) = ( 0.5000000 0.2130023 0.3437042), wk = 0.0041841 k( 183) = ( 0.5000000 0.1936385 0.3437042), wk = 0.0041841 k( 184) = ( 0.5000000 0.1742746 0.3437042), wk = 0.0041841 k( 185) = ( 0.5000000 0.1549108 0.3437042), wk = 0.0041841 k( 186) = ( 0.5000000 0.1355469 0.3437042), wk = 0.0041841 k( 187) = ( 0.5000000 0.1161831 0.3437042), wk = 0.0041841 k( 188) = ( 0.5000000 0.0968192 0.3437042), wk = 0.0041841 k( 189) = ( 0.5000000 0.0774554 0.3437042), wk = 0.0041841 k( 190) = ( 0.5000000 0.0580915 0.3437042), wk = 0.0041841 k( 191) = ( 0.5000000 0.0387277 0.3437042), wk = 0.0041841 k( 192) = ( 0.5000000 0.0193638 0.3437042), wk = 0.0041841 k( 193) = ( 0.5000000 -0.0000000 0.3437042), wk = 0.0041841 k( 194) = ( 0.5000000 -0.0000000 0.3437042), wk = 0.0041841 k( 195) = ( 0.5000000 -0.0000000 0.3246095), wk = 0.0041841 k( 196) = ( 0.5000000 -0.0000000 0.3055148), wk = 0.0041841 k( 197) = ( 0.5000000 -0.0000000 0.2864201), wk = 0.0041841 k( 198) = ( 0.5000000 -0.0000000 0.2673255), wk = 0.0041841 k( 199) = ( 0.5000000 -0.0000000 0.2482308), wk = 0.0041841 k( 200) = ( 0.5000000 -0.0000000 0.2291361), wk = 0.0041841 k( 201) = ( 0.5000000 -0.0000000 0.2100414), wk = 0.0041841 k( 202) = ( 0.5000000 -0.0000000 0.1909468), wk = 0.0041841 k( 203) = ( 0.5000000 -0.0000000 0.1718521), wk = 0.0041841 k( 204) = ( 0.5000000 -0.0000000 0.1527574), wk = 0.0041841 k( 205) = ( 0.5000000 -0.0000000 0.1336627), wk = 0.0041841 k( 206) = ( 0.5000000 -0.0000000 0.1145681), wk = 0.0041841 k( 207) = ( 0.5000000 -0.0000000 0.0954734), wk = 0.0041841 k( 208) = ( 0.5000000 -0.0000000 0.0763787), wk = 0.0041841 k( 209) = ( 0.5000000 -0.0000000 0.0572840), wk = 0.0041841 k( 210) = ( 0.5000000 -0.0000000 0.0381894), wk = 0.0041841 k( 211) = ( 0.5000000 -0.0000000 0.0190947), wk = 0.0041841 k( 212) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0041841 k( 213) = ( 0.0000000 0.0000000 0.3437042), wk = 0.0041841 k( 214) = ( 0.0192308 -0.0000000 0.3437042), wk = 0.0041841 k( 215) = ( 0.0384615 -0.0000000 0.3437042), wk = 0.0041841 k( 216) = ( 0.0576923 -0.0000000 0.3437042), wk = 0.0041841 k( 217) = ( 0.0769231 -0.0000000 0.3437042), wk = 0.0041841 k( 218) = ( 0.0961538 -0.0000000 0.3437042), wk = 0.0041841 k( 219) = ( 0.1153846 -0.0000000 0.3437042), wk = 0.0041841 k( 220) = ( 0.1346154 -0.0000000 0.3437042), wk = 0.0041841 k( 221) = ( 0.1538461 -0.0000000 0.3437042), wk = 0.0041841 k( 222) = ( 0.1730769 -0.0000000 0.3437042), wk = 0.0041841 k( 223) = ( 0.1923077 -0.0000000 0.3437042), wk = 0.0041841 k( 224) = ( 0.2115385 -0.0000000 0.3437042), wk = 0.0041841 k( 225) = ( 0.2307692 -0.0000000 0.3437042), wk = 0.0041841 k( 226) = ( 0.2500000 -0.0000000 0.3437042), wk = 0.0041841 k( 227) = ( 0.2692308 -0.0000000 0.3437042), wk = 0.0041841 k( 228) = ( 0.2884615 -0.0000000 0.3437042), wk = 0.0041841 k( 229) = ( 0.3076923 -0.0000000 0.3437042), wk = 0.0041841 k( 230) = ( 0.3269231 -0.0000000 0.3437042), wk = 0.0041841 k( 231) = ( 0.3461538 -0.0000000 0.3437042), wk = 0.0041841 k( 232) = ( 0.3653846 -0.0000000 0.3437042), wk = 0.0041841 k( 233) = ( 0.3846154 -0.0000000 0.3437042), wk = 0.0041841 k( 234) = ( 0.4038462 -0.0000000 0.3437042), wk = 0.0041841 k( 235) = ( 0.4230769 -0.0000000 0.3437042), wk = 0.0041841 k( 236) = ( 0.4423077 -0.0000000 0.3437042), wk = 0.0041841 k( 237) = ( 0.4615385 -0.0000000 0.3437042), wk = 0.0041841 k( 238) = ( 0.4807692 -0.0000000 0.3437042), wk = 0.0041841 k( 239) = ( 0.5000000 -0.0000000 0.3437042), wk = 0.0041841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041841 k( 2) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0041841 k( 3) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0041841 k( 4) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0041841 k( 5) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0041841 k( 6) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0041841 k( 7) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0041841 k( 8) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0041841 k( 9) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0041841 k( 10) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0041841 k( 11) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0041841 k( 12) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0041841 k( 13) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0041841 k( 14) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0041841 k( 15) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0041841 k( 16) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0041841 k( 17) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0041841 k( 18) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0041841 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 21) = ( 0.0000000 0.0128592 0.5015996), wk = 0.0041841 k( 22) = ( 0.0000000 0.0257185 0.5031991), wk = 0.0041841 k( 23) = ( 0.0000000 0.0385777 0.5047987), wk = 0.0041841 k( 24) = ( 0.0000000 0.0514370 0.5063983), wk = 0.0041841 k( 25) = ( 0.0000000 0.0642962 0.5079979), wk = 0.0041841 k( 26) = ( 0.0000000 0.0771555 0.5095974), wk = 0.0041841 k( 27) = ( 0.0000000 0.0900147 0.5111970), wk = 0.0041841 k( 28) = ( 0.0000000 0.1028740 0.5127966), wk = 0.0041841 k( 29) = ( 0.0000000 0.1157332 0.5143962), wk = 0.0041841 k( 30) = ( 0.0000000 0.1285924 0.5159957), wk = 0.0041841 k( 31) = ( 0.0000000 0.1414517 0.5175953), wk = 0.0041841 k( 32) = ( 0.0000000 0.1543109 0.5191949), wk = 0.0041841 k( 33) = ( 0.0000000 0.1671702 0.5207944), wk = 0.0041841 k( 34) = ( 0.0000000 0.1800294 0.5223940), wk = 0.0041841 k( 35) = ( 0.0000000 0.1928887 0.5239936), wk = 0.0041841 k( 36) = ( 0.0000000 0.2057479 0.5255931), wk = 0.0041841 k( 37) = ( 0.0000000 0.2186072 0.5271927), wk = 0.0041841 k( 38) = ( 0.0000000 0.2314664 0.5287923), wk = 0.0041841 k( 39) = ( 0.0000000 0.2443257 0.5303919), wk = 0.0041841 k( 40) = ( 0.0000000 0.2571849 0.5319914), wk = 0.0041841 k( 41) = ( 0.0000000 0.2700441 0.5335910), wk = 0.0041841 k( 42) = ( 0.0000000 0.2829034 0.5351906), wk = 0.0041841 k( 43) = ( 0.0000000 0.2957626 0.5367901), wk = 0.0041841 k( 44) = ( 0.0000000 0.3086219 0.5383897), wk = 0.0041841 k( 45) = ( 0.0000000 0.3214811 0.5399893), wk = 0.0041841 k( 46) = ( 0.0000000 0.3343404 0.5415889), wk = 0.0041841 k( 47) = ( 0.0000000 0.3471996 0.5431884), wk = 0.0041841 k( 48) = ( 0.0000000 0.3600589 0.5447880), wk = 0.0041841 k( 49) = ( 0.0000000 0.3729181 0.5463876), wk = 0.0041841 k( 50) = ( 0.0000000 0.3857774 0.5479872), wk = 0.0041841 k( 51) = ( 0.0000000 0.3986366 0.5495867), wk = 0.0041841 k( 52) = ( 0.0000000 0.4114958 0.5511863), wk = 0.0041841 k( 53) = ( 0.0000000 0.4243551 0.5527859), wk = 0.0041841 k( 54) = ( 0.0000000 0.4372143 0.5543854), wk = 0.0041841 k( 55) = ( 0.0000000 0.4500736 0.5559850), wk = 0.0041841 k( 56) = ( 0.0000000 0.4629328 0.5575846), wk = 0.0041841 k( 57) = ( 0.0000000 0.4757921 0.5591842), wk = 0.0041841 k( 58) = ( 0.0000000 0.4886513 0.5607837), wk = 0.0041841 k( 59) = ( 0.0000000 0.4886513 0.5607837), wk = 0.0041841 k( 60) = ( 0.0000000 0.4924342 0.5405225), wk = 0.0041841 k( 61) = ( 0.0000000 0.4962171 0.5202612), wk = 0.0041841 k( 62) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0041841 k( 63) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0041841 k( 64) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0041841 k( 65) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0041841 k( 66) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0041841 k( 67) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0041841 k( 68) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0041841 k( 69) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0041841 k( 70) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0041841 k( 71) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0041841 k( 72) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0041841 k( 73) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0041841 k( 74) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0041841 k( 75) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0041841 k( 76) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0041841 k( 77) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0041841 k( 78) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0041841 k( 79) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0041841 k( 80) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0041841 k( 81) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0041841 k( 82) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0041841 k( 83) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0041841 k( 84) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0041841 k( 85) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0041841 k( 86) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0041841 k( 87) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0041841 k( 88) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0041841 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 90) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041841 k( 91) = ( 0.5000000 0.5037829 0.4797388), wk = 0.0041841 k( 92) = ( 0.5000000 0.5075658 0.4594775), wk = 0.0041841 k( 93) = ( 0.5000000 0.5113487 0.4392163), wk = 0.0041841 k( 94) = ( 0.5000000 0.5113487 0.4392163), wk = 0.0041841 k( 95) = ( 0.5000000 0.5106394 0.4117653), wk = 0.0041841 k( 96) = ( 0.5000000 0.5099301 0.3843142), wk = 0.0041841 k( 97) = ( 0.5000000 0.5092208 0.3568632), wk = 0.0041841 k( 98) = ( 0.5000000 0.5085115 0.3294122), wk = 0.0041841 k( 99) = ( 0.5000000 0.5078022 0.3019612), wk = 0.0041841 k( 100) = ( 0.5000000 0.5070929 0.2745102), wk = 0.0041841 k( 101) = ( 0.5000000 0.5063836 0.2470592), wk = 0.0041841 k( 102) = ( 0.5000000 0.5056744 0.2196081), wk = 0.0041841 k( 103) = ( 0.5000000 0.5049651 0.1921571), wk = 0.0041841 k( 104) = ( 0.5000000 0.5042558 0.1647061), wk = 0.0041841 k( 105) = ( 0.5000000 0.5035465 0.1372551), wk = 0.0041841 k( 106) = ( 0.5000000 0.5028372 0.1098041), wk = 0.0041841 k( 107) = ( 0.5000000 0.5021279 0.0823530), wk = 0.0041841 k( 108) = ( 0.5000000 0.5014186 0.0549020), wk = 0.0041841 k( 109) = ( 0.5000000 0.5007093 0.0274510), wk = 0.0041841 k( 110) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041841 k( 111) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041841 k( 112) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0041841 k( 113) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0041841 k( 114) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0041841 k( 115) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0041841 k( 116) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0041841 k( 117) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0041841 k( 118) = ( 0.3653846 0.5000000 0.0000000), wk = 0.0041841 k( 119) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0041841 k( 120) = ( 0.3269231 0.5000000 0.0000000), wk = 0.0041841 k( 121) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0041841 k( 122) = ( 0.2884615 0.5000000 0.0000000), wk = 0.0041841 k( 123) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0041841 k( 124) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0041841 k( 125) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0041841 k( 126) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0041841 k( 127) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0041841 k( 128) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0041841 k( 129) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0041841 k( 130) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0041841 k( 131) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0041841 k( 132) = ( 0.0961538 0.5000000 0.0000000), wk = 0.0041841 k( 133) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0041841 k( 134) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0041841 k( 135) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0041841 k( 136) = ( 0.0192308 0.5000000 0.0000000), wk = 0.0041841 k( 137) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0041841 k( 138) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0041841 k( 139) = ( 0.0000000 0.5007093 0.0274510), wk = 0.0041841 k( 140) = ( 0.0000000 0.5014186 0.0549020), wk = 0.0041841 k( 141) = ( 0.0000000 0.5021279 0.0823530), wk = 0.0041841 k( 142) = ( 0.0000000 0.5028372 0.1098041), wk = 0.0041841 k( 143) = ( 0.0000000 0.5035465 0.1372551), wk = 0.0041841 k( 144) = ( 0.0000000 0.5042558 0.1647061), wk = 0.0041841 k( 145) = ( 0.0000000 0.5049651 0.1921571), wk = 0.0041841 k( 146) = ( 0.0000000 0.5056744 0.2196081), wk = 0.0041841 k( 147) = ( 0.0000000 0.5063836 0.2470591), wk = 0.0041841 k( 148) = ( 0.0000000 0.5070929 0.2745102), wk = 0.0041841 k( 149) = ( 0.0000000 0.5078022 0.3019612), wk = 0.0041841 k( 150) = ( 0.0000000 0.5085115 0.3294122), wk = 0.0041841 k( 151) = ( 0.0000000 0.5092208 0.3568632), wk = 0.0041841 k( 152) = ( 0.0000000 0.5099301 0.3843142), wk = 0.0041841 k( 153) = ( 0.0000000 0.5106394 0.4117652), wk = 0.0041841 k( 154) = ( 0.0000000 0.5113487 0.4392163), wk = 0.0041841 k( 155) = ( 0.5000000 0.4886513 0.5607837), wk = 0.0041841 k( 156) = ( 0.5000000 0.4757921 0.5591842), wk = 0.0041841 k( 157) = ( 0.5000000 0.4629328 0.5575846), wk = 0.0041841 k( 158) = ( 0.5000000 0.4500736 0.5559850), wk = 0.0041841 k( 159) = ( 0.5000000 0.4372143 0.5543854), wk = 0.0041841 k( 160) = ( 0.5000000 0.4243551 0.5527859), wk = 0.0041841 k( 161) = ( 0.5000000 0.4114958 0.5511863), wk = 0.0041841 k( 162) = ( 0.5000000 0.3986366 0.5495867), wk = 0.0041841 k( 163) = ( 0.5000000 0.3857774 0.5479872), wk = 0.0041841 k( 164) = ( 0.5000000 0.3729181 0.5463876), wk = 0.0041841 k( 165) = ( 0.5000000 0.3600589 0.5447880), wk = 0.0041841 k( 166) = ( 0.5000000 0.3471996 0.5431884), wk = 0.0041841 k( 167) = ( 0.5000000 0.3343404 0.5415889), wk = 0.0041841 k( 168) = ( 0.5000000 0.3214811 0.5399893), wk = 0.0041841 k( 169) = ( 0.5000000 0.3086219 0.5383897), wk = 0.0041841 k( 170) = ( 0.5000000 0.2957626 0.5367901), wk = 0.0041841 k( 171) = ( 0.5000000 0.2829034 0.5351906), wk = 0.0041841 k( 172) = ( 0.5000000 0.2700441 0.5335910), wk = 0.0041841 k( 173) = ( 0.5000000 0.2571849 0.5319914), wk = 0.0041841 k( 174) = ( 0.5000000 0.2443257 0.5303919), wk = 0.0041841 k( 175) = ( 0.5000000 0.2314664 0.5287923), wk = 0.0041841 k( 176) = ( 0.5000000 0.2186072 0.5271927), wk = 0.0041841 k( 177) = ( 0.5000000 0.2057479 0.5255931), wk = 0.0041841 k( 178) = ( 0.5000000 0.1928887 0.5239936), wk = 0.0041841 k( 179) = ( 0.5000000 0.1800294 0.5223940), wk = 0.0041841 k( 180) = ( 0.5000000 0.1671702 0.5207944), wk = 0.0041841 k( 181) = ( 0.5000000 0.1543109 0.5191949), wk = 0.0041841 k( 182) = ( 0.5000000 0.1414517 0.5175953), wk = 0.0041841 k( 183) = ( 0.5000000 0.1285924 0.5159957), wk = 0.0041841 k( 184) = ( 0.5000000 0.1157332 0.5143962), wk = 0.0041841 k( 185) = ( 0.5000000 0.1028740 0.5127966), wk = 0.0041841 k( 186) = ( 0.5000000 0.0900147 0.5111970), wk = 0.0041841 k( 187) = ( 0.5000000 0.0771555 0.5095974), wk = 0.0041841 k( 188) = ( 0.5000000 0.0642962 0.5079979), wk = 0.0041841 k( 189) = ( 0.5000000 0.0514370 0.5063983), wk = 0.0041841 k( 190) = ( 0.5000000 0.0385777 0.5047987), wk = 0.0041841 k( 191) = ( 0.5000000 0.0257185 0.5031991), wk = 0.0041841 k( 192) = ( 0.5000000 0.0128592 0.5015996), wk = 0.0041841 k( 193) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 k( 195) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0041841 k( 196) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0041841 k( 197) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0041841 k( 198) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0041841 k( 199) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0041841 k( 200) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0041841 k( 201) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0041841 k( 202) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0041841 k( 203) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0041841 k( 204) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0041841 k( 205) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0041841 k( 206) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0041841 k( 207) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0041841 k( 208) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0041841 k( 209) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0041841 k( 210) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0041841 k( 211) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0041841 k( 212) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0041841 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041841 k( 214) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0041841 k( 215) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0041841 k( 216) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0041841 k( 217) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0041841 k( 218) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0041841 k( 219) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0041841 k( 220) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0041841 k( 221) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0041841 k( 222) = ( 0.1730769 -0.0000000 0.5000000), wk = 0.0041841 k( 223) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0041841 k( 224) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0041841 k( 225) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0041841 k( 226) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0041841 k( 227) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0041841 k( 228) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0041841 k( 229) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0041841 k( 230) = ( 0.3269231 -0.0000000 0.5000000), wk = 0.0041841 k( 231) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0041841 k( 232) = ( 0.3653846 -0.0000000 0.5000000), wk = 0.0041841 k( 233) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0041841 k( 234) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0041841 k( 235) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0041841 k( 236) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0041841 k( 237) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0041841 k( 238) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0041841 k( 239) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041841 Dense grid: 228817 G-vectors FFT dimensions: ( 80, 54, 120) Smooth grid: 65441 G-vectors FFT dimensions: ( 54, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 234, 82) NL pseudopotentials 0.41 Mb ( 117, 232) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.02 Mb ( 3177) G-vector shells 0.02 Mb ( 3069) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 234, 328) Each subspace H/S matrix 0.04 Mb ( 54, 54) Each matrix 0.58 Mb ( 232, 2, 82) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./H3AuC2NCl.save/charge-density.dat Starting wfc are 112 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.6 secs Computing kpt #: 2 total cpu time spent up to now is 9.0 secs Computing kpt #: 3 total cpu time spent up to now is 11.5 secs Computing kpt #: 4 total cpu time spent up to now is 13.9 secs Computing kpt #: 5 total cpu time spent up to now is 16.4 secs Computing kpt #: 6 total cpu time spent up to now is 19.1 secs Computing kpt #: 7 total cpu time spent up to now is 21.9 secs Computing kpt #: 8 total cpu time spent up to now is 24.7 secs Computing kpt #: 9 total cpu time spent up to now is 28.3 secs Computing kpt #: 10 total cpu time spent up to now is 31.0 secs Computing kpt #: 11 total cpu time spent up to now is 34.2 secs Computing kpt #: 12 total cpu time spent up to now is 37.3 secs Computing kpt #: 13 total cpu time spent up to now is 40.2 secs Computing kpt #: 14 total cpu time spent up to now is 43.2 secs Computing kpt #: 15 total cpu time spent up to now is 46.2 secs Computing kpt #: 16 total cpu time spent up to now is 49.6 secs Computing kpt #: 17 total cpu time spent up to now is 53.0 secs Computing kpt #: 18 total cpu time spent up to now is 55.8 secs Computing kpt #: 19 total cpu time spent up to now is 58.7 secs Computing kpt #: 20 total cpu time spent up to now is 61.3 secs Computing kpt #: 21 total cpu time spent up to now is 63.9 secs Computing kpt #: 22 total cpu time spent up to now is 66.5 secs Computing kpt #: 23 total cpu time spent up to now is 69.1 secs Computing kpt #: 24 total cpu time spent up to now is 71.6 secs Computing kpt #: 25 total cpu time spent up to now is 74.2 secs Computing kpt #: 26 total cpu time spent up to now is 76.9 secs Computing kpt #: 27 total cpu time spent up to now is 79.5 secs Computing kpt #: 28 total cpu time spent up to now is 82.1 secs Computing kpt #: 29 total cpu time spent up to now is 84.7 secs Computing kpt #: 30 total cpu time spent up to now is 87.3 secs Computing kpt #: 31 total cpu time spent up to now is 89.7 secs Computing kpt #: 32 total cpu time spent up to now is 92.4 secs Computing kpt #: 33 total cpu time spent up to now is 94.9 secs Computing kpt #: 34 total cpu time spent up to now is 97.3 secs Computing kpt #: 35 total cpu time spent up to now is 99.7 secs Computing kpt #: 36 total cpu time spent up to now is 102.1 secs Computing kpt #: 37 total cpu time spent up to now is 104.6 secs Computing kpt #: 38 total cpu time spent up to now is 107.4 secs Computing kpt #: 39 total cpu time spent up to now is 109.9 secs Computing kpt #: 40 total cpu time spent up to now is 112.5 secs Computing kpt #: 41 total cpu time spent up to now is 115.1 secs Computing kpt #: 42 total cpu time spent up to now is 117.6 secs Computing kpt #: 43 total cpu time spent up to now is 120.3 secs Computing kpt #: 44 total cpu time spent up to now is 123.1 secs Computing kpt #: 45 total cpu time spent up to now is 125.7 secs Computing kpt #: 46 total cpu time spent up to now is 128.2 secs Computing kpt #: 47 total cpu time spent up to now is 130.7 secs Computing kpt #: 48 total cpu time spent up to now is 133.3 secs Computing kpt #: 49 total cpu time spent up to now is 135.8 secs Computing kpt #: 50 total cpu time spent up to now is 138.3 secs Computing kpt #: 51 total cpu time spent up to now is 140.9 secs Computing kpt #: 52 total cpu time spent up to now is 143.6 secs Computing kpt #: 53 total cpu time spent up to now is 146.2 secs Computing kpt #: 54 total cpu time spent up to now is 148.8 secs Computing kpt #: 55 total cpu time spent up to now is 151.5 secs Computing kpt #: 56 total cpu time spent up to now is 154.0 secs Computing kpt #: 57 total cpu time spent up to now is 156.6 secs Computing kpt #: 58 total cpu time spent up to now is 159.2 secs Computing kpt #: 59 total cpu time spent up to now is 161.9 secs Computing kpt #: 60 total cpu time spent up to now is 164.6 secs Computing kpt #: 61 total cpu time spent up to now is 167.4 secs Computing kpt #: 62 total cpu time spent up to now is 170.0 secs Computing kpt #: 63 total cpu time spent up to now is 172.6 secs Computing kpt #: 64 total cpu time spent up to now is 175.4 secs Computing kpt #: 65 total cpu time spent up to now is 178.1 secs Computing kpt #: 66 total cpu time spent up to now is 181.1 secs Computing kpt #: 67 total cpu time spent up to now is 183.8 secs Computing kpt #: 68 total cpu time spent up to now is 186.7 secs Computing kpt #: 69 total cpu time spent up to now is 189.4 secs Computing kpt #: 70 total cpu time spent up to now is 191.9 secs Computing kpt #: 71 total cpu time spent up to now is 194.4 secs Computing kpt #: 72 total cpu time spent up to now is 196.9 secs Computing kpt #: 73 total cpu time spent up to now is 199.4 secs Computing kpt #: 74 total cpu time spent up to now is 201.7 secs Computing kpt #: 75 total cpu time spent up to now is 204.1 secs Computing kpt #: 76 total cpu time spent up to now is 206.4 secs Computing kpt #: 77 total cpu time spent up to now is 208.8 secs Computing kpt #: 78 total cpu time spent up to now is 211.0 secs Computing kpt #: 79 total cpu time spent up to now is 213.3 secs Computing kpt #: 80 total cpu time spent up to now is 215.7 secs Computing kpt #: 81 total cpu time spent up to now is 218.1 secs Computing kpt #: 82 total cpu time spent up to now is 220.6 secs Computing kpt #: 83 total cpu time spent up to now is 223.3 secs Computing kpt #: 84 total cpu time spent up to now is 225.6 secs Computing kpt #: 85 total cpu time spent up to now is 228.1 secs Computing kpt #: 86 total cpu time spent up to now is 230.7 secs Computing kpt #: 87 total cpu time spent up to now is 233.3 secs Computing kpt #: 88 total cpu time spent up to now is 237.5 secs Computing kpt #: 89 total cpu time spent up to now is 240.5 secs Computing kpt #: 90 total cpu time spent up to now is 243.6 secs Computing kpt #: 91 total cpu time spent up to now is 247.5 secs Computing kpt #: 92 total cpu time spent up to now is 251.3 secs Computing kpt #: 93 total cpu time spent up to now is 255.3 secs Computing kpt #: 94 total cpu time spent up to now is 258.0 secs Computing kpt #: 95 total cpu time spent up to now is 261.8 secs Computing kpt #: 96 total cpu time spent up to now is 264.3 secs Computing kpt #: 97 total cpu time spent up to now is 266.8 secs Computing kpt #: 98 total cpu time spent up to now is 269.3 secs Computing kpt #: 99 total cpu time spent up to now is 271.7 secs Computing kpt #: 100 total cpu time spent up to now is 274.1 secs Computing kpt #: 101 total cpu time spent up to now is 276.4 secs Computing kpt #: 102 total cpu time spent up to now is 279.0 secs Computing kpt #: 103 total cpu time spent up to now is 281.4 secs Computing kpt #: 104 total cpu time spent up to now is 284.0 secs Computing kpt #: 105 total cpu time spent up to now is 286.4 secs Computing kpt #: 106 total cpu time spent up to now is 290.0 secs Computing kpt #: 107 total cpu time spent up to now is 292.9 secs Computing kpt #: 108 total cpu time spent up to now is 296.6 secs Computing kpt #: 109 total cpu time spent up to now is 299.6 secs Computing kpt #: 110 total cpu time spent up to now is 303.3 secs Computing kpt #: 111 total cpu time spent up to now is 307.0 secs Computing kpt #: 112 total cpu time spent up to now is 310.8 secs Computing kpt #: 113 total cpu time spent up to now is 314.7 secs Computing kpt #: 114 total cpu time spent up to now is 318.6 secs Computing kpt #: 115 total cpu time spent up to now is 322.6 secs Computing kpt #: 116 total cpu time spent up to now is 326.4 secs Computing kpt #: 117 total cpu time spent up to now is 330.2 secs Computing kpt #: 118 total cpu time spent up to now is 334.1 secs Computing kpt #: 119 total cpu time spent up to now is 337.9 secs Computing kpt #: 120 total cpu time spent up to now is 341.2 secs Computing kpt #: 121 total cpu time spent up to now is 344.9 secs Computing kpt #: 122 total cpu time spent up to now is 348.0 secs Computing kpt #: 123 total cpu time spent up to now is 351.4 secs Computing kpt #: 124 total cpu time spent up to now is 355.0 secs Computing kpt #: 125 total cpu time spent up to now is 358.1 secs Computing kpt #: 126 total cpu time spent up to now is 360.6 secs Computing kpt #: 127 total cpu time spent up to now is 363.3 secs Computing kpt #: 128 total cpu time spent up to now is 366.4 secs Computing kpt #: 129 total cpu time spent up to now is 369.3 secs Computing kpt #: 130 total cpu time spent up to now is 372.5 secs Computing kpt #: 131 total cpu time spent up to now is 375.4 secs Computing kpt #: 132 total cpu time spent up to now is 378.6 secs Computing kpt #: 133 total cpu time spent up to now is 381.9 secs Computing kpt #: 134 total cpu time spent up to now is 385.1 secs Computing kpt #: 135 total cpu time spent up to now is 388.4 secs Computing kpt #: 136 total cpu time spent up to now is 391.8 secs Computing kpt #: 137 total cpu time spent up to now is 395.4 secs Computing kpt #: 138 total cpu time spent up to now is 399.0 secs Computing kpt #: 139 total cpu time spent up to now is 402.4 secs Computing kpt #: 140 total cpu time spent up to now is 406.0 secs Computing kpt #: 141 total cpu time spent up to now is 409.6 secs Computing kpt #: 142 total cpu time spent up to now is 413.5 secs Computing kpt #: 143 total cpu time spent up to now is 417.2 secs Computing kpt #: 144 total cpu time spent up to now is 420.3 secs Computing kpt #: 145 total cpu time spent up to now is 423.5 secs Computing kpt #: 146 total cpu time spent up to now is 426.7 secs Computing kpt #: 147 total cpu time spent up to now is 429.4 secs Computing kpt #: 148 total cpu time spent up to now is 432.2 secs Computing kpt #: 149 total cpu time spent up to now is 435.1 secs Computing kpt #: 150 total cpu time spent up to now is 437.7 secs Computing kpt #: 151 total cpu time spent up to now is 440.3 secs Computing kpt #: 152 total cpu time spent up to now is 443.0 secs Computing kpt #: 153 total cpu time spent up to now is 445.6 secs Computing kpt #: 154 total cpu time spent up to now is 448.2 secs Computing kpt #: 155 total cpu time spent up to now is 452.2 secs Computing kpt #: 156 total cpu time spent up to now is 456.3 secs Computing kpt #: 157 total cpu time spent up to now is 460.4 secs Computing kpt #: 158 total cpu time spent up to now is 464.4 secs Computing kpt #: 159 total cpu time spent up to now is 468.7 secs Computing kpt #: 160 total cpu time spent up to now is 473.1 secs Computing kpt #: 161 total cpu time spent up to now is 477.4 secs Computing kpt #: 162 total cpu time spent up to now is 481.2 secs Computing kpt #: 163 total cpu time spent up to now is 485.3 secs Computing kpt #: 164 total cpu time spent up to now is 489.3 secs Computing kpt #: 165 total cpu time spent up to now is 493.2 secs Computing kpt #: 166 total cpu time spent up to now is 496.9 secs Computing kpt #: 167 total cpu time spent up to now is 500.1 secs Computing kpt #: 168 total cpu time spent up to now is 503.9 secs Computing kpt #: 169 total cpu time spent up to now is 507.9 secs Computing kpt #: 170 total cpu time spent up to now is 510.6 secs Computing kpt #: 171 total cpu time spent up to now is 514.0 secs Computing kpt #: 172 total cpu time spent up to now is 517.2 secs Computing kpt #: 173 total cpu time spent up to now is 521.7 secs Computing kpt #: 174 total cpu time spent up to now is 524.5 secs Computing kpt #: 175 total cpu time spent up to now is 527.5 secs Computing kpt #: 176 total cpu time spent up to now is 530.3 secs Computing kpt #: 177 total cpu time spent up to now is 534.3 secs Computing kpt #: 178 total cpu time spent up to now is 538.5 secs Computing kpt #: 179 total cpu time spent up to now is 541.1 secs Computing kpt #: 180 total cpu time spent up to now is 543.8 secs Computing kpt #: 181 total cpu time spent up to now is 546.6 secs Computing kpt #: 182 total cpu time spent up to now is 549.2 secs Computing kpt #: 183 total cpu time spent up to now is 551.9 secs Computing kpt #: 184 total cpu time spent up to now is 554.5 secs Computing kpt #: 185 total cpu time spent up to now is 557.3 secs Computing kpt #: 186 total cpu time spent up to now is 559.8 secs Computing kpt #: 187 total cpu time spent up to now is 562.3 secs Computing kpt #: 188 total cpu time spent up to now is 564.9 secs Computing kpt #: 189 total cpu time spent up to now is 567.5 secs Computing kpt #: 190 total cpu time spent up to now is 570.0 secs Computing kpt #: 191 total cpu time spent up to now is 572.8 secs Computing kpt #: 192 total cpu time spent up to now is 575.3 secs Computing kpt #: 193 total cpu time spent up to now is 577.9 secs Computing kpt #: 194 total cpu time spent up to now is 580.6 secs Computing kpt #: 195 total cpu time spent up to now is 583.4 secs Computing kpt #: 196 total cpu time spent up to now is 586.2 secs Computing kpt #: 197 total cpu time spent up to now is 589.0 secs Computing kpt #: 198 total cpu time spent up to now is 591.8 secs Computing kpt #: 199 total cpu time spent up to now is 594.4 secs Computing kpt #: 200 total cpu time spent up to now is 597.1 secs Computing kpt #: 201 total cpu time spent up to now is 599.8 secs Computing kpt #: 202 total cpu time spent up to now is 602.5 secs Computing kpt #: 203 total cpu time spent up to now is 605.2 secs Computing kpt #: 204 total cpu time spent up to now is 607.9 secs Computing kpt #: 205 total cpu time spent up to now is 610.8 secs Computing kpt #: 206 total cpu time spent up to now is 613.4 secs Computing kpt #: 207 total cpu time spent up to now is 616.0 secs Computing kpt #: 208 total cpu time spent up to now is 620.9 secs Computing kpt #: 209 total cpu time spent up to now is 623.6 secs Computing kpt #: 210 total cpu time spent up to now is 626.3 secs Computing kpt #: 211 total cpu time spent up to now is 631.6 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 637.4 secs Computing kpt #: 213 total cpu time spent up to now is 640.0 secs Computing kpt #: 214 total cpu time spent up to now is 642.7 secs Computing kpt #: 215 total cpu time spent up to now is 645.2 secs Computing kpt #: 216 total cpu time spent up to now is 647.8 secs Computing kpt #: 217 total cpu time spent up to now is 650.4 secs Computing kpt #: 218 total cpu time spent up to now is 653.1 secs Computing kpt #: 219 total cpu time spent up to now is 655.5 secs Computing kpt #: 220 total cpu time spent up to now is 657.8 secs Computing kpt #: 221 total cpu time spent up to now is 660.2 secs Computing kpt #: 222 total cpu time spent up to now is 662.5 secs Computing kpt #: 223 total cpu time spent up to now is 664.9 secs Computing kpt #: 224 total cpu time spent up to now is 667.2 secs Computing kpt #: 225 total cpu time spent up to now is 669.4 secs Computing kpt #: 226 total cpu time spent up to now is 671.8 secs Computing kpt #: 227 total cpu time spent up to now is 674.1 secs Computing kpt #: 228 total cpu time spent up to now is 676.4 secs Computing kpt #: 229 total cpu time spent up to now is 678.8 secs Computing kpt #: 230 total cpu time spent up to now is 681.1 secs Computing kpt #: 231 total cpu time spent up to now is 683.5 secs Computing kpt #: 232 total cpu time spent up to now is 685.8 secs Computing kpt #: 233 total cpu time spent up to now is 688.2 secs Computing kpt #: 234 total cpu time spent up to now is 690.6 secs Computing kpt #: 235 total cpu time spent up to now is 693.2 secs Computing kpt #: 236 total cpu time spent up to now is 695.6 secs Computing kpt #: 237 total cpu time spent up to now is 698.0 secs Computing kpt #: 238 total cpu time spent up to now is 700.8 secs Computing kpt #: 239 total cpu time spent up to now is 703.7 secs ethr = 1.47E-08, avg # of iterations = 38.8 total cpu time spent up to now is 703.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8195 PWs) bands (ev): -17.5043 -17.5043 -17.4928 -17.4928 -12.5006 -12.5006 -12.3964 -12.3964 -11.8532 -11.8532 -11.8509 -11.8509 -6.7805 -6.7805 -6.6553 -6.6553 -5.1742 -5.1742 -4.9582 -4.9582 -4.9163 -4.9163 -4.7049 -4.7049 -4.4385 -4.4385 -4.4095 -4.4095 -2.4493 -2.4493 -2.3115 -2.3115 -2.2636 -2.2636 -2.1566 -2.1566 -1.3612 -1.3612 -1.1489 -1.1489 -1.0770 -1.0770 -0.9395 -0.9395 -0.8418 -0.8418 -0.7950 -0.7950 -0.2159 -0.2159 -0.1334 -0.1334 0.0433 0.0433 0.6636 0.6636 0.7368 0.7368 1.0592 1.0592 1.0974 1.0974 1.4468 1.4468 1.4654 1.4654 1.6944 1.6944 5.3530 5.3530 6.4060 6.4060 6.6665 6.6665 6.8170 6.8170 7.5069 7.5069 7.6279 7.6279 8.5862 8.5862 k = 0.0000 0.0000 0.0191 ( 8198 PWs) bands (ev): -17.5042 -17.5042 -17.4928 -17.4928 -12.5010 -12.5009 -12.3963 -12.3963 -11.8554 -11.8554 -11.8484 -11.8484 -6.7810 -6.7810 -6.6559 -6.6558 -5.1739 -5.1726 -4.9578 -4.9576 -4.9167 -4.9155 -4.7056 -4.7042 -4.4386 -4.4384 -4.4098 -4.4093 -2.4517 -2.4460 -2.3133 -2.3097 -2.2672 -2.2607 -2.1602 -2.1536 -1.3633 -1.3591 -1.1509 -1.1468 -1.0780 -1.0756 -0.9414 -0.9384 -0.8438 -0.8409 -0.7992 -0.7919 -0.2161 -0.2156 -0.1346 -0.1326 0.0430 0.0436 0.6633 0.6636 0.7368 0.7369 1.0570 1.0622 1.0941 1.1012 1.4452 1.4475 1.4631 1.4684 1.6940 1.6947 5.3510 5.3545 6.3988 6.4087 6.6646 6.6710 6.8140 6.8234 7.5031 7.5076 7.6239 7.6332 8.5839 8.5938 k = 0.0000 0.0000 0.0382 ( 8198 PWs) bands (ev): -17.5042 -17.5042 -17.4929 -17.4929 -12.5018 -12.5018 -12.3960 -12.3960 -11.8581 -11.8581 -11.8448 -11.8448 -6.7824 -6.7824 -6.6579 -6.6577 -5.1717 -5.1691 -4.9563 -4.9559 -4.9165 -4.9141 -4.7063 -4.7036 -4.4387 -4.4382 -4.4103 -4.4094 -2.4533 -2.4418 -2.3151 -2.3081 -2.2714 -2.2586 -2.1642 -2.1510 -1.3651 -1.3569 -1.1528 -1.1447 -1.0786 -1.0739 -0.9440 -0.9380 -0.8469 -0.8408 -0.8045 -0.7899 -0.2160 -0.2152 -0.1359 -0.1321 0.0430 0.0441 0.6628 0.6635 0.7369 0.7371 1.0556 1.0661 1.0913 1.1055 1.4429 1.4470 1.4620 1.4719 1.6935 1.6949 5.3485 5.3553 6.3880 6.4065 6.6658 6.6766 6.8143 6.8336 7.4965 7.5054 7.6224 7.6387 8.5866 8.6066 k = 0.0000 0.0000 0.0573 ( 8190 PWs) bands (ev): -17.5041 -17.5041 -17.4930 -17.4929 -12.5032 -12.5031 -12.3956 -12.3956 -11.8605 -11.8605 -11.8409 -11.8409 -6.7847 -6.7847 -6.6610 -6.6607 -5.1679 -5.1640 -4.9537 -4.9532 -4.9157 -4.9123 -4.7071 -4.7031 -4.4387 -4.4380 -4.4110 -4.4096 -2.4540 -2.4367 -2.3168 -2.3067 -2.2758 -2.2574 -2.1686 -2.1490 -1.3668 -1.3546 -1.1545 -1.1426 -1.0788 -1.0719 -0.9472 -0.9386 -0.8510 -0.8417 -0.8106 -0.7890 -0.2158 -0.2145 -0.1374 -0.1319 0.0431 0.0447 0.6621 0.6631 0.7371 0.7373 1.0548 1.0709 1.0890 1.1104 1.4402 1.4455 1.4620 1.4756 1.6930 1.6950 5.3456 5.3555 6.3751 6.4000 6.6693 6.6818 6.8178 6.8474 7.4871 7.5015 7.6243 7.6437 8.5935 8.6241 k = 0.0000 0.0000 0.0764 ( 8194 PWs) bands (ev): -17.5040 -17.5040 -17.4931 -17.4930 -12.5050 -12.5049 -12.3952 -12.3951 -11.8626 -11.8626 -11.8368 -11.8368 -6.7879 -6.7879 -6.6652 -6.6648 -5.1624 -5.1573 -4.9503 -4.9498 -4.9142 -4.9100 -4.7078 -4.7027 -4.4387 -4.4377 -4.4118 -4.4101 -2.4539 -2.4307 -2.3185 -2.3060 -2.2799 -2.2571 -2.1732 -2.1477 -1.3683 -1.3524 -1.1561 -1.1407 -1.0787 -1.0697 -0.9509 -0.9400 -0.8561 -0.8433 -0.8174 -0.7893 -0.2153 -0.2137 -0.1390 -0.1320 0.0434 0.0454 0.6613 0.6626 0.7373 0.7376 1.0546 1.0765 1.0871 1.1158 1.4371 1.4434 1.4627 1.4793 1.6924 1.6950 5.3424 5.3551 6.3611 6.3905 6.6735 6.6854 6.8243 6.8640 7.4750 7.4977 7.6294 7.6483 8.6039 8.6457 k = 0.0000 0.0000 0.0955 ( 8195 PWs) bands (ev): -17.5039 -17.5039 -17.4932 -17.4932 -12.5072 -12.5071 -12.3946 -12.3945 -11.8643 -11.8643 -11.8327 -11.8326 -6.7918 -6.7918 -6.6703 -6.6699 -5.1557 -5.1493 -4.9464 -4.9456 -4.9118 -4.9073 -4.7086 -4.7024 -4.4387 -4.4374 -4.4128 -4.4107 -2.4531 -2.4239 -2.3202 -2.3066 -2.2830 -2.2577 -2.1781 -2.1471 -1.3694 -1.3503 -1.1576 -1.1390 -1.0781 -1.0672 -0.9549 -0.9422 -0.8621 -0.8455 -0.8247 -0.7905 -0.2148 -0.2129 -0.1407 -0.1325 0.0438 0.0461 0.6604 0.6620 0.7375 0.7379 1.0549 1.0827 1.0858 1.1216 1.4340 1.4409 1.4638 1.4828 1.6918 1.6948 5.3390 5.3540 6.3471 6.3792 6.6770 6.6870 6.8334 6.8822 7.4614 7.4952 7.6374 7.6530 8.6169 8.6699 k = 0.0000 0.0000 0.1146 ( 8196 PWs) bands (ev): -17.5037 -17.5037 -17.4933 -17.4933 -12.5097 -12.5096 -12.3940 -12.3939 -11.8656 -11.8656 -11.8284 -11.8284 -6.7963 -6.7963 -6.6761 -6.6756 -5.1478 -5.1403 -4.9423 -4.9407 -4.9085 -4.9040 -4.7093 -4.7021 -4.4386 -4.4370 -4.4140 -4.4115 -2.4517 -2.4163 -2.3220 -2.3091 -2.2843 -2.2591 -2.1832 -2.1472 -1.3703 -1.3483 -1.1589 -1.1377 -1.0771 -1.0646 -0.9592 -0.9451 -0.8690 -0.8484 -0.8322 -0.7928 -0.2140 -0.2119 -0.1423 -0.1332 0.0443 0.0469 0.6594 0.6612 0.7378 0.7383 1.0555 1.0839 1.0904 1.1278 1.4309 1.4383 1.4651 1.4861 1.6912 1.6946 5.3355 5.3523 6.3337 6.3672 6.6788 6.6868 6.8441 6.9002 7.4474 7.4942 7.6478 7.6593 8.6318 8.6955 k = 0.0000 0.0000 0.1337 ( 8186 PWs) bands (ev): -17.5035 -17.5035 -17.4935 -17.4935 -12.5124 -12.5123 -12.3934 -12.3933 -11.8667 -11.8666 -11.8243 -11.8242 -6.8012 -6.8012 -6.6825 -6.6820 -5.1392 -5.1306 -4.9382 -4.9354 -4.9042 -4.9001 -4.7100 -4.7020 -4.4384 -4.4367 -4.4153 -4.4125 -2.4496 -2.4080 -2.3241 -2.3131 -2.2838 -2.2611 -2.1885 -2.1480 -1.3708 -1.3465 -1.1601 -1.1369 -1.0757 -1.0619 -0.9635 -0.9486 -0.8765 -0.8521 -0.8394 -0.7959 -0.2132 -0.2109 -0.1439 -0.1342 0.0450 0.0478 0.6584 0.6603 0.7382 0.7386 1.0563 1.0828 1.0980 1.1341 1.4280 1.4357 1.4665 1.4891 1.6907 1.6943 5.3320 5.3501 6.3214 6.3553 6.6787 6.6852 6.8552 6.9165 7.4346 7.4942 7.6598 7.6695 8.6478 8.7208 k = 0.0000 0.0000 0.1528 ( 8181 PWs) bands (ev): -17.5033 -17.5033 -17.4937 -17.4937 -12.5152 -12.5151 -12.3928 -12.3927 -11.8674 -11.8674 -11.8202 -11.8201 -6.8065 -6.8065 -6.6892 -6.6886 -5.1302 -5.1207 -4.9340 -4.9299 -4.8991 -4.8957 -4.7107 -4.7021 -4.4382 -4.4362 -4.4167 -4.4136 -2.4470 -2.3991 -2.3274 -2.3170 -2.2823 -2.2633 -2.1939 -2.1496 -1.3710 -1.3450 -1.1611 -1.1365 -1.0740 -1.0592 -0.9677 -0.9527 -0.8844 -0.8570 -0.8455 -0.7997 -0.2123 -0.2099 -0.1454 -0.1354 0.0457 0.0486 0.6574 0.6594 0.7385 0.7390 1.0574 1.0818 1.1060 1.1404 1.4252 1.4331 1.4681 1.4917 1.6902 1.6939 5.3286 5.3474 6.3105 6.3440 6.6767 6.6825 6.8657 6.9297 7.4237 7.4943 7.6735 7.6852 8.6646 8.7449 k = 0.0000 0.0000 0.1719 ( 8175 PWs) bands (ev): -17.5031 -17.5031 -17.4939 -17.4939 -12.5180 -12.5179 -12.3923 -12.3922 -11.8678 -11.8678 -11.8162 -11.8162 -6.8119 -6.8119 -6.6959 -6.6954 -5.1210 -5.1109 -4.9299 -4.9244 -4.8932 -4.8908 -4.7112 -4.7022 -4.4380 -4.4358 -4.4183 -4.4149 -2.4439 -2.3896 -2.3326 -2.3195 -2.2811 -2.2652 -2.1993 -2.1519 -1.3708 -1.3439 -1.1620 -1.1368 -1.0719 -1.0566 -0.9719 -0.9570 -0.8923 -0.8637 -0.8497 -0.8041 -0.2113 -0.2089 -0.1467 -0.1368 0.0465 0.0494 0.6564 0.6585 0.7388 0.7393 1.0586 1.0809 1.1143 1.1466 1.4227 1.4305 1.4698 1.4938 1.6898 1.6935 5.3254 5.3443 6.3010 6.3336 6.6734 6.6790 6.8747 6.9390 7.4153 7.4934 7.6912 7.7054 8.6822 8.7674 k = 0.0000 0.0000 0.1909 ( 8187 PWs) bands (ev): -17.5029 -17.5029 -17.4941 -17.4941 -12.5207 -12.5206 -12.3919 -12.3918 -11.8681 -11.8681 -11.8125 -11.8125 -6.8173 -6.8173 -6.7026 -6.7021 -5.1120 -5.1015 -4.9258 -4.9191 -4.8870 -4.8855 -4.7117 -4.7026 -4.4377 -4.4353 -4.4199 -4.4163 -2.4403 -2.3798 -2.3393 -2.3206 -2.2814 -2.2656 -2.2048 -2.1550 -1.3702 -1.3431 -1.1627 -1.1376 -1.0696 -1.0542 -0.9758 -0.9615 -0.8999 -0.8714 -0.8526 -0.8090 -0.2103 -0.2080 -0.1478 -0.1383 0.0474 0.0502 0.6555 0.6576 0.7392 0.7396 1.0599 1.0801 1.1226 1.1525 1.4205 1.4279 1.4716 1.4955 1.6894 1.6930 5.3225 5.3409 6.2932 6.3241 6.6693 6.6750 6.8818 6.9442 7.4097 7.4905 7.7138 7.7290 8.7005 8.7887 k = 0.0000 0.0000 0.2100 ( 8176 PWs) bands (ev): -17.5027 -17.5026 -17.4943 -17.4943 -12.5233 -12.5232 -12.3915 -12.3914 -11.8681 -11.8681 -11.8091 -11.8090 -6.8225 -6.8225 -6.7090 -6.7085 -5.1034 -5.0929 -4.9215 -4.9142 -4.8808 -4.8800 -4.7121 -4.7031 -4.4374 -4.4347 -4.4215 -4.4177 -2.4363 -2.3698 -2.3465 -2.3207 -2.2838 -2.2643 -2.2100 -2.1588 -1.3692 -1.3428 -1.1632 -1.1390 -1.0671 -1.0519 -0.9794 -0.9660 -0.9069 -0.8794 -0.8545 -0.8141 -0.2093 -0.2071 -0.1488 -0.1399 0.0482 0.0508 0.6547 0.6567 0.7395 0.7399 1.0613 1.0792 1.1307 1.1578 1.4186 1.4255 1.4736 1.4966 1.6892 1.6925 5.3200 5.3374 6.2869 6.3156 6.6648 6.6707 6.8871 6.9456 7.4066 7.4857 7.7407 7.7552 8.7196 8.8096 k = 0.0000 0.0000 0.2291 ( 8172 PWs) bands (ev): -17.5024 -17.5024 -17.4945 -17.4945 -12.5257 -12.5255 -12.3912 -12.3911 -11.8681 -11.8680 -11.8059 -11.8059 -6.8273 -6.8273 -6.7149 -6.7144 -5.0954 -5.0854 -4.9171 -4.9096 -4.8749 -4.8744 -4.7123 -4.7038 -4.4369 -4.4342 -4.4231 -4.4193 -2.4320 -2.3611 -2.3527 -2.3200 -2.2876 -2.2623 -2.2144 -2.1633 -1.3678 -1.3430 -1.1634 -1.1410 -1.0644 -1.0500 -0.9826 -0.9704 -0.9130 -0.8873 -0.8557 -0.8195 -0.2083 -0.2064 -0.1495 -0.1415 0.0491 0.0514 0.6540 0.6558 0.7398 0.7401 1.0627 1.0783 1.1385 1.1625 1.4170 1.4233 1.4757 1.4971 1.6890 1.6920 5.3180 5.3338 6.2822 6.3081 6.6604 6.6662 6.8910 6.9438 7.4057 7.4791 7.7704 7.7829 8.7400 8.8308 k = 0.0000 0.0000 0.2482 ( 8166 PWs) bands (ev): -17.5022 -17.5022 -17.4948 -17.4947 -12.5277 -12.5276 -12.3910 -12.3909 -11.8679 -11.8679 -11.8032 -11.8032 -6.8317 -6.8317 -6.7201 -6.7197 -5.0882 -5.0791 -4.9128 -4.9057 -4.8697 -4.8690 -4.7124 -4.7046 -4.4365 -4.4335 -4.4247 -4.4209 -2.4273 -2.3635 -2.3478 -2.3184 -2.2920 -2.2612 -2.2174 -2.1684 -1.3660 -1.3436 -1.1633 -1.1433 -1.0617 -1.0486 -0.9855 -0.9744 -0.9178 -0.8949 -0.8561 -0.8248 -0.2074 -0.2057 -0.1500 -0.1430 0.0499 0.0519 0.6534 0.6550 0.7400 0.7403 1.0642 1.0773 1.1458 1.1663 1.4157 1.4212 1.4780 1.4971 1.6890 1.6915 5.3164 5.3303 6.2788 6.3015 6.6563 6.6618 6.8940 6.9397 7.4066 7.4714 7.8007 7.8107 8.7617 8.8524 k = 0.0000 0.0000 0.2673 ( 8169 PWs) bands (ev): -17.5020 -17.5020 -17.4949 -17.4949 -12.5295 -12.5294 -12.3908 -12.3908 -11.8677 -11.8677 -11.8010 -11.8009 -6.8355 -6.8355 -6.7246 -6.7243 -5.0820 -5.0742 -4.9087 -4.9024 -4.8650 -4.8642 -4.7122 -4.7056 -4.4359 -4.4329 -4.4262 -4.4224 -2.4223 -2.3707 -2.3388 -2.3157 -2.2967 -2.2624 -2.2181 -2.1741 -1.3639 -1.3448 -1.1628 -1.1459 -1.0589 -1.0476 -0.9878 -0.9782 -0.9214 -0.9018 -0.8558 -0.8301 -0.2066 -0.2052 -0.1502 -0.1444 0.0506 0.0523 0.6529 0.6543 0.7402 0.7405 1.0657 1.0763 1.1524 1.1692 1.4148 1.4193 1.4805 1.4966 1.6890 1.6911 5.3154 5.3270 6.2769 6.2958 6.6527 6.6577 6.8965 6.9341 7.4091 7.4630 7.8294 7.8368 8.7850 8.8737 k = 0.0000 0.0000 0.2864 ( 8176 PWs) bands (ev): -17.5018 -17.5018 -17.4951 -17.4951 -12.5309 -12.5309 -12.3907 -12.3906 -11.8675 -11.8675 -11.7991 -11.7991 -6.8385 -6.8385 -6.7282 -6.7280 -5.0768 -5.0707 -4.9050 -4.8999 -4.8611 -4.8603 -4.7119 -4.7066 -4.4352 -4.4322 -4.4276 -4.4239 -2.4170 -2.3781 -2.3306 -2.3112 -2.3014 -2.2661 -2.2160 -2.1802 -1.3615 -1.3465 -1.1620 -1.1487 -1.0563 -1.0472 -0.9893 -0.9817 -0.9234 -0.9081 -0.8549 -0.8351 -0.2059 -0.2048 -0.1502 -0.1458 0.0512 0.0526 0.6526 0.6537 0.7404 0.7406 1.0671 1.0752 1.1582 1.1710 1.4142 1.4177 1.4830 1.4956 1.6891 1.6906 5.3149 5.3239 6.2761 6.2907 6.6500 6.6540 6.8990 6.9278 7.4128 7.4543 7.8544 7.8595 8.8097 8.8920 k = 0.0000 0.0000 0.3055 ( 8181 PWs) bands (ev): -17.5017 -17.5017 -17.4952 -17.4952 -12.5320 -12.5319 -12.3906 -12.3906 -11.8674 -11.8674 -11.7978 -11.7978 -6.8408 -6.8408 -6.7309 -6.7307 -5.0727 -5.0685 -4.9019 -4.8983 -4.8581 -4.8575 -4.7114 -4.7077 -4.4345 -4.4318 -4.4285 -4.4254 -2.4113 -2.3853 -2.3242 -2.3060 -2.3047 -2.2722 -2.2118 -2.1867 -1.3589 -1.3485 -1.1606 -1.1516 -1.0538 -1.0474 -0.9901 -0.9846 -0.9240 -0.9134 -0.8532 -0.8398 -0.2053 -0.2046 -0.1500 -0.1470 0.0518 0.0527 0.6525 0.6532 0.7405 0.7407 1.0686 1.0740 1.1630 1.1717 1.4140 1.4164 1.4855 1.4942 1.6892 1.6903 5.3150 5.3212 6.2764 6.2864 6.6482 6.6510 6.9020 6.9214 7.4177 7.4458 7.8739 7.8771 8.8354 8.9019 k = 0.0000 0.0000 0.3246 ( 8184 PWs) bands (ev): -17.5016 -17.5016 -17.4953 -17.4953 -12.5326 -12.5326 -12.3906 -12.3906 -11.8673 -11.8673 -11.7970 -11.7970 -6.8421 -6.8421 -6.7325 -6.7324 -5.0698 -5.0677 -4.8995 -4.8977 -4.8562 -4.8559 -4.7107 -4.7088 -4.4336 -4.4320 -4.4285 -4.4267 -2.4053 -2.3923 -2.3192 -2.3104 -2.2966 -2.2797 -2.2062 -2.1933 -1.3562 -1.3509 -1.1589 -1.1543 -1.0516 -1.0483 -0.9899 -0.9871 -0.9232 -0.9178 -0.8508 -0.8440 -0.2049 -0.2045 -0.1496 -0.1481 0.0522 0.0527 0.6524 0.6528 0.7406 0.7407 1.0700 1.0728 1.1669 1.1713 1.4141 1.4153 1.4879 1.4924 1.6894 1.6899 5.3158 5.3189 6.2777 6.2828 6.6474 6.6489 6.9056 6.9154 7.4235 7.4378 7.8865 7.8880 8.8607 8.8986 k = 0.0000 0.0000 0.3437 ( 8170 PWs) bands (ev): -17.5016 -17.5016 -17.4953 -17.4953 -12.5328 -12.5328 -12.3905 -12.3905 -11.8672 -11.8672 -11.7968 -11.7968 -6.8426 -6.8426 -6.7330 -6.7330 -5.0681 -5.0681 -4.8981 -4.8981 -4.8554 -4.8554 -4.7098 -4.7098 -4.4328 -4.4328 -4.4278 -4.4278 -2.3989 -2.3989 -2.3148 -2.3148 -2.2880 -2.2880 -2.1999 -2.1999 -1.3535 -1.3535 -1.1567 -1.1567 -1.0497 -1.0497 -0.9889 -0.9889 -0.9211 -0.9211 -0.8477 -0.8477 -0.2046 -0.2046 -0.1489 -0.1489 0.0525 0.0525 0.6526 0.6526 0.7407 0.7407 1.0714 1.0714 1.1696 1.1696 1.4145 1.4145 1.4903 1.4903 1.6896 1.6896 5.3170 5.3170 6.2799 6.2799 6.6476 6.6476 6.9101 6.9101 7.4303 7.4303 7.8913 7.8913 8.8832 8.8832 k = 0.0000 0.0000 0.3437 ( 8170 PWs) bands (ev): -17.5016 -17.5016 -17.4953 -17.4953 -12.5328 -12.5328 -12.3905 -12.3905 -11.8672 -11.8672 -11.7968 -11.7968 -6.8426 -6.8426 -6.7330 -6.7330 -5.0681 -5.0681 -4.8981 -4.8981 -4.8554 -4.8554 -4.7098 -4.7098 -4.4328 -4.4328 -4.4278 -4.4278 -2.3989 -2.3989 -2.3148 -2.3148 -2.2880 -2.2880 -2.1999 -2.1999 -1.3535 -1.3535 -1.1567 -1.1567 -1.0497 -1.0497 -0.9889 -0.9889 -0.9211 -0.9211 -0.8477 -0.8477 -0.2046 -0.2046 -0.1489 -0.1489 0.0525 0.0525 0.6526 0.6526 0.7407 0.7407 1.0714 1.0714 1.1696 1.1696 1.4145 1.4145 1.4903 1.4903 1.6896 1.6896 5.3170 5.3170 6.2799 6.2799 6.6476 6.6476 6.9101 6.9101 7.4303 7.4303 7.8913 7.8913 8.8832 8.8832 k = 0.0000 0.0194 0.3437 ( 8186 PWs) bands (ev): -17.5015 -17.5015 -17.4953 -17.4953 -12.5327 -12.5327 -12.3905 -12.3905 -11.8671 -11.8671 -11.7968 -11.7968 -6.8425 -6.8425 -6.7329 -6.7328 -5.0682 -5.0678 -4.8991 -4.8972 -4.8566 -4.8544 -4.7100 -4.7094 -4.4343 -4.4331 -4.4292 -4.4280 -2.4034 -2.3946 -2.3160 -2.3133 -2.2938 -2.2823 -2.2014 -2.1986 -1.3569 -1.3505 -1.1621 -1.1517 -1.0551 -1.0436 -0.9889 -0.9883 -0.9224 -0.9198 -0.8498 -0.8448 -0.2085 -0.2016 -0.1504 -0.1468 0.0525 0.0537 0.6505 0.6542 0.7407 0.7410 1.0704 1.0720 1.1672 1.1718 1.4093 1.4176 1.4885 1.4909 1.6884 1.6927 5.3175 5.3179 6.2774 6.2839 6.6457 6.6487 6.9069 6.9140 7.4298 7.4310 7.8900 7.8925 8.8804 8.8857 k = 0.0000 0.0387 0.3437 ( 8184 PWs) bands (ev): -17.5014 -17.5014 -17.4951 -17.4951 -12.5322 -12.5322 -12.3904 -12.3904 -11.8669 -11.8669 -11.7969 -11.7969 -6.8422 -6.8421 -6.7325 -6.7324 -5.0680 -5.0673 -4.9002 -4.8964 -4.8581 -4.8535 -4.7101 -4.7088 -4.4375 -4.4355 -4.4322 -4.4299 -2.4080 -2.3904 -2.3171 -2.3118 -2.2994 -2.2766 -2.2029 -2.1976 -1.3606 -1.3482 -1.1676 -1.1472 -1.0595 -1.0372 -0.9883 -0.9872 -0.9237 -0.9185 -0.8512 -0.8413 -0.2130 -0.1998 -0.1511 -0.1445 0.0537 0.0561 0.6481 0.6555 0.7411 0.7416 1.0688 1.0720 1.1646 1.1736 1.4019 1.4183 1.4855 1.4902 1.6891 1.6974 5.3193 5.3200 6.2765 6.2895 6.6430 6.6490 6.9044 6.9185 7.4297 7.4321 7.8885 7.8935 8.8775 8.8878 k = 0.0000 0.0581 0.3437 ( 8182 PWs) bands (ev): -17.5011 -17.5011 -17.4949 -17.4949 -12.5315 -12.5315 -12.3902 -12.3902 -11.8664 -11.8664 -11.7971 -11.7971 -6.8417 -6.8416 -6.7319 -6.7318 -5.0676 -5.0666 -4.9015 -4.8956 -4.8597 -4.8528 -4.7100 -4.7081 -4.4425 -4.4398 -4.4364 -4.4334 -2.4125 -2.3866 -2.3180 -2.3109 -2.3037 -2.2712 -2.2046 -2.1967 -1.3645 -1.3464 -1.1729 -1.1436 -1.0629 -1.0308 -0.9869 -0.9854 -0.9250 -0.9170 -0.8517 -0.8371 -0.2178 -0.1994 -0.1505 -0.1421 0.0560 0.0597 0.6455 0.6563 0.7419 0.7426 1.0669 1.0715 1.1617 1.1751 1.3927 1.4168 1.4817 1.4883 1.6917 1.7035 5.3224 5.3234 6.2772 6.2965 6.6395 6.6484 6.9025 6.9237 7.4299 7.4336 7.8869 7.8945 8.8746 8.8895 k = 0.0000 0.0775 0.3437 ( 8177 PWs) bands (ev): -17.5007 -17.5007 -17.4945 -17.4945 -12.5305 -12.5305 -12.3900 -12.3900 -11.8657 -11.8657 -11.7974 -11.7973 -6.8410 -6.8409 -6.7310 -6.7308 -5.0670 -5.0657 -4.9029 -4.8950 -4.8615 -4.8523 -4.7097 -4.7073 -4.4492 -4.4461 -4.4420 -4.4385 -2.4170 -2.3831 -2.3196 -2.3123 -2.3044 -2.2661 -2.2062 -2.1960 -1.3685 -1.3453 -1.1780 -1.1412 -1.0650 -1.0247 -0.9847 -0.9828 -0.9262 -0.9155 -0.8514 -0.8324 -0.2229 -0.2005 -0.1488 -0.1399 0.0593 0.0645 0.6427 0.6566 0.7429 0.7440 1.0644 1.0704 1.1586 1.1762 1.3821 1.4132 1.4770 1.4853 1.6960 1.7106 5.3267 5.3281 6.2794 6.3050 6.6352 6.6469 6.9012 6.9293 7.4303 7.4353 7.8851 7.8952 8.8719 8.8908 k = 0.0000 0.0968 0.3437 ( 8187 PWs) bands (ev): -17.5003 -17.5003 -17.4941 -17.4941 -12.5292 -12.5292 -12.3897 -12.3897 -11.8649 -11.8649 -11.7977 -11.7977 -6.8401 -6.8399 -6.7299 -6.7297 -5.0663 -5.0646 -4.9044 -4.8946 -4.8634 -4.8518 -4.7092 -4.7063 -4.4575 -4.4543 -4.4490 -4.4453 -2.4215 -2.3800 -2.3232 -2.3137 -2.3027 -2.2616 -2.2076 -2.1956 -1.3723 -1.3449 -1.1829 -1.1399 -1.0661 -1.0190 -0.9820 -0.9789 -0.9274 -0.9138 -0.8505 -0.8273 -0.2281 -0.2029 -0.1461 -0.1377 0.0638 0.0705 0.6398 0.6564 0.7442 0.7457 1.0616 1.0687 1.1552 1.1768 1.3703 1.4076 1.4717 1.4813 1.7018 1.7184 5.3322 5.3340 6.2830 6.3149 6.6300 6.6444 6.9005 6.9354 7.4309 7.4372 7.8829 7.8956 8.8695 8.8914 k = 0.0000 0.1162 0.3437 ( 8184 PWs) bands (ev): -17.4997 -17.4997 -17.4935 -17.4935 -12.5276 -12.5276 -12.3893 -12.3893 -11.8639 -11.8639 -11.7981 -11.7981 -6.8390 -6.8388 -6.7286 -6.7283 -5.0653 -5.0633 -4.9061 -4.8944 -4.8655 -4.8514 -4.7086 -4.7053 -4.4672 -4.4640 -4.4574 -4.4534 -2.4259 -2.3776 -2.3284 -2.3136 -2.3002 -2.2577 -2.2087 -2.1954 -1.3759 -1.3451 -1.1875 -1.1397 -1.0663 -1.0139 -0.9787 -0.9738 -0.9283 -0.9120 -0.8490 -0.8219 -0.2333 -0.2063 -0.1427 -0.1357 0.0692 0.0777 0.6370 0.6558 0.7457 0.7478 1.0584 1.0664 1.1515 1.1768 1.3579 1.4004 1.4659 1.4766 1.7088 1.7268 5.3388 5.3411 6.2880 6.3259 6.6239 6.6407 6.9002 6.9419 7.4314 7.4393 7.8804 7.8956 8.8675 8.8916 k = 0.0000 0.1355 0.3437 ( 8184 PWs) bands (ev): -17.4990 -17.4990 -17.4929 -17.4929 -12.5258 -12.5258 -12.3889 -12.3889 -11.8627 -11.8627 -11.7986 -11.7985 -6.8377 -6.8375 -6.7270 -6.7267 -5.0641 -5.0618 -4.9081 -4.8945 -4.8674 -4.8510 -4.7078 -4.7042 -4.4784 -4.4752 -4.4671 -4.4629 -2.4301 -2.3757 -2.3341 -2.3127 -2.2976 -2.2547 -2.2093 -2.1954 -1.3792 -1.3459 -1.1918 -1.1402 -1.0662 -1.0093 -0.9749 -0.9677 -0.9290 -0.9101 -0.8470 -0.8162 -0.2385 -0.2104 -0.1391 -0.1338 0.0756 0.0860 0.6342 0.6547 0.7473 0.7503 1.0547 1.0634 1.1477 1.1761 1.3452 1.3920 1.4596 1.4712 1.7167 1.7354 5.3466 5.3495 6.2942 6.3380 6.6167 6.6359 6.9003 6.9485 7.4319 7.4414 7.8773 7.8952 8.8658 8.8913 k = 0.0000 0.1549 0.3437 ( 8196 PWs) bands (ev): -17.4983 -17.4983 -17.4922 -17.4922 -12.5238 -12.5237 -12.3884 -12.3884 -11.8614 -11.8614 -11.7991 -11.7991 -6.8362 -6.8360 -6.7252 -6.7249 -5.0628 -5.0602 -4.9104 -4.8952 -4.8692 -4.8507 -4.7069 -4.7031 -4.4909 -4.4877 -4.4780 -4.4737 -2.4343 -2.3746 -2.3399 -2.3114 -2.2948 -2.2527 -2.2093 -2.1956 -1.3820 -1.3470 -1.1960 -1.1413 -1.0659 -1.0050 -0.9707 -0.9612 -0.9291 -0.9080 -0.8448 -0.8103 -0.2437 -0.2150 -0.1357 -0.1316 0.0830 0.0952 0.6315 0.6534 0.7492 0.7531 1.0507 1.0598 1.1436 1.1745 1.3328 1.3827 1.4529 1.4653 1.7252 1.7443 5.3554 5.3589 6.3014 6.3509 6.6085 6.6299 6.9005 6.9551 7.4321 7.4435 7.8739 7.8942 8.8644 8.8906 k = 0.0000 0.1743 0.3437 ( 8202 PWs) bands (ev): -17.4974 -17.4974 -17.4914 -17.4914 -12.5214 -12.5214 -12.3879 -12.3879 -11.8599 -11.8599 -11.7997 -11.7997 -6.8346 -6.8343 -6.7232 -6.7229 -5.0614 -5.0585 -4.9130 -4.8967 -4.8706 -4.8503 -4.7059 -4.7020 -4.5046 -4.5014 -4.4899 -4.4855 -2.4384 -2.3743 -2.3454 -2.3099 -2.2920 -2.2519 -2.2085 -2.1960 -1.3843 -1.3485 -1.2000 -1.1427 -1.0657 -1.0008 -0.9663 -0.9545 -0.9286 -0.9058 -0.8424 -0.8042 -0.2488 -0.2198 -0.1333 -0.1286 0.0912 0.1054 0.6290 0.6518 0.7512 0.7561 1.0464 1.0554 1.1393 1.1718 1.3211 1.3728 1.4459 1.4590 1.7341 1.7533 5.3652 5.3694 6.3097 6.3644 6.5991 6.6226 6.9009 6.9616 7.4320 7.4454 7.8699 7.8928 8.8631 8.8897 k = 0.0000 0.1936 0.3437 ( 8188 PWs) bands (ev): -17.4965 -17.4965 -17.4905 -17.4905 -12.5189 -12.5188 -12.3873 -12.3873 -11.8582 -11.8582 -11.8004 -11.8003 -6.8327 -6.8325 -6.7210 -6.7206 -5.0599 -5.0567 -4.9159 -4.8990 -4.8714 -4.8498 -4.7049 -4.7009 -4.5192 -4.5161 -4.5027 -4.4981 -2.4424 -2.3751 -2.3503 -2.3084 -2.2894 -2.2522 -2.2070 -2.1965 -1.3860 -1.3501 -1.2038 -1.1442 -1.0656 -0.9968 -0.9620 -0.9479 -0.9272 -0.9033 -0.8399 -0.7980 -0.2537 -0.2248 -0.1316 -0.1250 0.1004 0.1163 0.6267 0.6500 0.7535 0.7595 1.0416 1.0503 1.1349 1.1679 1.3106 1.3627 1.4386 1.4524 1.7433 1.7622 5.3760 5.3809 6.3187 6.3782 6.5885 6.6140 6.9012 6.9678 7.4313 7.4470 7.8657 7.8909 8.8617 8.8885 k = 0.0000 0.2130 0.3437 ( 8177 PWs) bands (ev): -17.4955 -17.4955 -17.4896 -17.4896 -12.5161 -12.5161 -12.3866 -12.3866 -11.8565 -11.8565 -11.8011 -11.8011 -6.8308 -6.8304 -6.7186 -6.7182 -5.0582 -5.0548 -4.9192 -4.9022 -4.8716 -4.8492 -4.7040 -4.7001 -4.5348 -4.5318 -4.5162 -4.5115 -2.4463 -2.3773 -2.3542 -2.3070 -2.2869 -2.2532 -2.2052 -2.1970 -1.3870 -1.3518 -1.2075 -1.1456 -1.0658 -0.9930 -0.9583 -0.9415 -0.9249 -0.9006 -0.8375 -0.7917 -0.2585 -0.2297 -0.1303 -0.1214 0.1103 0.1279 0.6247 0.6480 0.7559 0.7631 1.0365 1.0445 1.1303 1.1627 1.3015 1.3527 1.4311 1.4456 1.7527 1.7711 5.3876 5.3934 6.3282 6.3920 6.5767 6.6042 6.9013 6.9736 7.4298 7.4481 7.8612 7.8886 8.8601 8.8871 k = 0.0000 0.2324 0.3437 ( 8166 PWs) bands (ev): -17.4944 -17.4944 -17.4886 -17.4886 -12.5132 -12.5131 -12.3860 -12.3859 -11.8546 -11.8546 -11.8019 -11.8018 -6.8286 -6.8283 -6.7161 -6.7157 -5.0566 -5.0529 -4.9230 -4.9063 -4.8713 -4.8485 -4.7032 -4.6995 -4.5510 -4.5481 -4.5302 -4.5253 -2.4502 -2.3809 -2.3571 -2.3059 -2.2848 -2.2548 -2.2037 -2.1971 -1.3873 -1.3533 -1.2111 -1.1469 -1.0662 -0.9893 -0.9553 -0.9354 -0.9217 -0.8976 -0.8351 -0.7855 -0.2632 -0.2345 -0.1292 -0.1179 0.1210 0.1400 0.6230 0.6460 0.7586 0.7669 1.0311 1.0379 1.1257 1.1561 1.2942 1.3431 1.4234 1.4386 1.7620 1.7799 5.4000 5.4067 6.3381 6.4054 6.5638 6.5934 6.9010 6.9786 7.4276 7.4488 7.8566 7.8861 8.8580 8.8855 k = 0.0000 0.2517 0.3437 ( 8164 PWs) bands (ev): -17.4933 -17.4933 -17.4875 -17.4875 -12.5100 -12.5099 -12.3852 -12.3852 -11.8526 -11.8526 -11.8027 -11.8026 -6.8264 -6.8260 -6.7134 -6.7129 -5.0549 -5.0511 -4.9272 -4.9112 -4.8705 -4.8476 -4.7028 -4.6994 -4.5678 -4.5650 -4.5443 -4.5392 -2.4539 -2.3858 -2.3590 -2.3052 -2.2832 -2.2565 -2.2033 -2.1961 -1.3868 -1.3547 -1.2146 -1.1481 -1.0667 -0.9860 -0.9529 -0.9300 -0.9178 -0.8944 -0.8330 -0.7793 -0.2676 -0.2392 -0.1282 -0.1148 0.1324 0.1526 0.6216 0.6441 0.7616 0.7708 1.0251 1.0306 1.1210 1.1485 1.2887 1.3339 1.4156 1.4317 1.7713 1.7885 5.4131 5.4207 6.3480 6.4178 6.5497 6.5818 6.9002 6.9828 7.4245 7.4487 7.8521 7.8834 8.8555 8.8836 k = 0.0000 0.2711 0.3437 ( 8175 PWs) bands (ev): -17.4921 -17.4921 -17.4864 -17.4864 -12.5067 -12.5067 -12.3845 -12.3845 -11.8505 -11.8505 -11.8035 -11.8035 -6.8240 -6.8236 -6.7105 -6.7101 -5.0531 -5.0492 -4.9319 -4.9168 -4.8695 -4.8467 -4.7030 -4.6999 -4.5849 -4.5823 -4.5583 -4.5530 -2.4577 -2.3916 -2.3603 -2.3050 -2.2825 -2.2579 -2.2041 -2.1942 -1.3857 -1.3559 -1.2178 -1.1490 -1.0672 -0.9831 -0.9508 -0.9259 -0.9128 -0.8909 -0.8310 -0.7733 -0.2717 -0.2436 -0.1272 -0.1119 0.1444 0.1655 0.6205 0.6421 0.7648 0.7748 1.0185 1.0228 1.1163 1.1402 1.2848 1.3253 1.4077 1.4248 1.7805 1.7971 5.4269 5.4355 6.3576 6.4284 6.5347 6.5699 6.8987 6.9859 7.4205 7.4479 7.8477 7.8806 8.8526 8.8814 k = 0.0000 0.2905 0.3437 ( 8171 PWs) bands (ev): -17.4909 -17.4909 -17.4853 -17.4853 -12.5033 -12.5032 -12.3837 -12.3837 -11.8484 -11.8483 -11.8044 -11.8044 -6.8215 -6.8211 -6.7076 -6.7071 -5.0515 -5.0475 -4.9371 -4.9230 -4.8682 -4.8457 -4.7040 -4.7012 -4.6021 -4.5997 -4.5717 -4.5662 -2.4614 -2.3980 -2.3613 -2.3054 -2.2827 -2.2589 -2.2055 -2.1920 -1.3838 -1.3567 -1.2209 -1.1497 -1.0679 -0.9807 -0.9489 -0.9231 -0.9071 -0.8874 -0.8292 -0.7675 -0.2756 -0.2476 -0.1263 -0.1094 0.1570 0.1786 0.6197 0.6403 0.7684 0.7790 1.0111 1.0148 1.1117 1.1318 1.2822 1.3174 1.3999 1.4180 1.7896 1.8054 5.4412 5.4509 6.3664 6.4360 6.5191 6.5587 6.8965 6.9877 7.4156 7.4464 7.8436 7.8778 8.8494 8.8787 k = 0.0000 0.3098 0.3437 ( 8174 PWs) bands (ev): -17.4896 -17.4896 -17.4841 -17.4841 -12.4998 -12.4997 -12.3829 -12.3829 -11.8461 -11.8461 -11.8053 -11.8053 -6.8189 -6.8185 -6.7045 -6.7040 -5.0498 -5.0459 -4.9427 -4.9296 -4.8668 -4.8447 -4.7063 -4.7037 -4.6194 -4.6169 -4.5841 -4.5784 -2.4651 -2.4046 -2.3622 -2.3064 -2.2838 -2.2594 -2.2071 -2.1899 -1.3813 -1.3572 -1.2237 -1.1501 -1.0686 -0.9789 -0.9469 -0.9214 -0.9010 -0.8840 -0.8276 -0.7620 -0.2791 -0.2512 -0.1255 -0.1073 0.1700 0.1918 0.6192 0.6386 0.7722 0.7831 1.0024 1.0069 1.1071 1.1237 1.2808 1.3103 1.3922 1.4114 1.7985 1.8136 5.4561 5.4668 6.3739 6.4393 6.5032 6.5493 6.8936 6.9881 7.4100 7.4443 7.8398 7.8750 8.8461 8.8757 k = 0.0000 0.3292 0.3437 ( 8168 PWs) bands (ev): -17.4883 -17.4883 -17.4829 -17.4829 -12.4961 -12.4960 -12.3821 -12.3821 -11.8439 -11.8439 -11.8062 -11.8062 -6.8162 -6.8158 -6.7014 -6.7008 -5.0484 -5.0444 -4.9488 -4.9367 -4.8654 -4.8438 -4.7102 -4.7076 -4.6365 -4.6337 -4.5951 -4.5890 -2.4687 -2.4115 -2.3631 -2.3081 -2.2855 -2.2595 -2.2089 -2.1880 -1.3782 -1.3572 -1.2263 -1.1502 -1.0694 -0.9779 -0.9450 -0.9204 -0.8948 -0.8806 -0.8263 -0.7568 -0.2821 -0.2543 -0.1247 -0.1055 0.1835 0.2049 0.6189 0.6371 0.7762 0.7872 0.9927 0.9990 1.1026 1.1165 1.2802 1.3041 1.3847 1.4051 1.8071 1.8216 5.4713 5.4831 6.3790 6.4372 6.4877 6.5429 6.8899 6.9871 7.4039 7.4416 7.8361 7.8721 8.8427 8.8726 k = 0.0000 0.3485 0.3437 ( 8160 PWs) bands (ev): -17.4870 -17.4870 -17.4816 -17.4816 -12.4924 -12.4923 -12.3813 -12.3813 -11.8416 -11.8416 -11.8071 -11.8071 -6.8135 -6.8131 -6.6981 -6.6976 -5.0470 -5.0433 -4.9552 -4.9442 -4.8641 -4.8431 -4.7159 -4.7133 -4.6533 -4.6497 -4.6041 -4.5976 -2.4724 -2.4185 -2.3639 -2.3105 -2.2876 -2.2595 -2.2108 -2.1864 -1.3746 -1.3568 -1.2285 -1.1500 -1.0702 -0.9777 -0.9433 -0.9198 -0.8888 -0.8775 -0.8252 -0.7520 -0.2848 -0.2570 -0.1241 -0.1041 0.1972 0.2180 0.6189 0.6358 0.7805 0.7911 0.9824 0.9909 1.0982 1.1105 1.2800 1.2988 1.3775 1.3991 1.8155 1.8294 5.4868 5.4997 6.3804 6.4294 6.4736 6.5396 6.8856 6.9844 7.3975 7.4384 7.8325 7.8689 8.8393 8.8696 k = 0.0000 0.3679 0.3437 ( 8166 PWs) bands (ev): -17.4856 -17.4856 -17.4804 -17.4804 -12.4886 -12.4885 -12.3805 -12.3805 -11.8393 -11.8393 -11.8081 -11.8080 -6.8108 -6.8104 -6.6949 -6.6944 -5.0459 -5.0424 -4.9621 -4.9519 -4.8631 -4.8428 -4.7233 -4.7210 -4.6697 -4.6648 -4.6110 -4.6042 -2.4760 -2.4256 -2.3648 -2.3136 -2.2898 -2.2597 -2.2126 -2.1851 -1.3708 -1.3559 -1.2304 -1.1494 -1.0712 -0.9782 -0.9418 -0.9196 -0.8832 -0.8745 -0.8242 -0.7478 -0.2869 -0.2590 -0.1236 -0.1031 0.2111 0.2308 0.6191 0.6347 0.7850 0.7949 0.9717 0.9825 1.0940 1.1058 1.2799 1.2945 1.3706 1.3935 1.8237 1.8370 5.5026 5.5166 6.3764 6.4170 6.4625 6.5382 6.8807 6.9803 7.3912 7.4351 7.8287 7.8653 8.8360 8.8670 k = 0.0000 0.3873 0.3437 ( 8164 PWs) bands (ev): -17.4843 -17.4843 -17.4791 -17.4791 -12.4849 -12.4847 -12.3797 -12.3796 -11.8371 -11.8370 -11.8089 -11.8089 -6.8080 -6.8076 -6.6917 -6.6911 -5.0452 -5.0420 -4.9691 -4.9597 -4.8624 -4.8430 -4.7323 -4.7302 -4.6856 -4.6787 -4.6156 -4.6086 -2.4796 -2.4327 -2.3658 -2.3173 -2.2921 -2.2602 -2.2144 -2.1841 -1.3668 -1.3544 -1.2318 -1.1485 -1.0723 -0.9794 -0.9407 -0.9196 -0.8779 -0.8715 -0.8233 -0.7440 -0.2886 -0.2606 -0.1234 -0.1023 0.2251 0.2435 0.6196 0.6339 0.7895 0.7984 0.9608 0.9740 1.0905 1.1024 1.2794 1.2917 1.3642 1.3882 1.8316 1.8443 5.5185 5.5336 6.3665 6.4011 6.4555 6.5370 6.8755 6.9747 7.3853 7.4316 7.8245 7.8609 8.8329 8.8650 k = 0.0000 0.4066 0.3437 ( 8173 PWs) bands (ev): -17.4829 -17.4829 -17.4779 -17.4779 -12.4811 -12.4810 -12.3789 -12.3789 -11.8348 -11.8348 -11.8098 -11.8097 -6.8053 -6.8049 -6.6885 -6.6879 -5.0449 -5.0421 -4.9763 -4.9675 -4.8623 -4.8441 -4.7429 -4.7399 -4.7006 -4.6916 -4.6183 -4.6114 -2.4832 -2.4398 -2.3668 -2.3215 -2.2944 -2.2611 -2.2160 -2.1835 -1.3630 -1.3522 -1.2327 -1.1472 -1.0735 -0.9814 -0.9402 -0.9197 -0.8732 -0.8685 -0.8224 -0.7408 -0.2896 -0.2615 -0.1234 -0.1019 0.2391 0.2558 0.6203 0.6332 0.7939 0.8017 0.9498 0.9654 1.0880 1.0999 1.2780 1.2905 1.3583 1.3835 1.8392 1.8514 5.5345 5.5505 6.3519 6.3826 6.4516 6.5346 6.8703 6.9678 7.3801 7.4284 7.8196 7.8557 8.8302 8.8637 k = 0.0000 0.4260 0.3437 ( 8171 PWs) bands (ev): -17.4816 -17.4816 -17.4766 -17.4766 -12.4773 -12.4772 -12.3781 -12.3781 -11.8327 -11.8327 -11.8105 -11.8105 -6.8025 -6.8021 -6.6853 -6.6847 -5.0452 -5.0429 -4.9834 -4.9751 -4.8628 -4.8463 -4.7545 -4.7493 -4.7145 -4.7033 -4.6194 -4.6127 -2.4868 -2.4468 -2.3678 -2.3260 -2.2968 -2.2625 -2.2174 -2.1832 -1.3598 -1.3492 -1.2330 -1.1456 -1.0750 -0.9841 -0.9403 -0.9198 -0.8694 -0.8649 -0.8215 -0.7381 -0.2902 -0.2619 -0.1236 -0.1018 0.2531 0.2678 0.6212 0.6327 0.7977 0.8048 0.9388 0.9568 1.0864 1.0982 1.2760 1.2904 1.3531 1.3792 1.8464 1.8582 5.5503 5.5674 6.3343 6.3627 6.4490 6.5300 6.8651 6.9599 7.3758 7.4255 7.8137 7.8492 8.8282 8.8633 k = 0.0000 0.4454 0.3437 ( 8179 PWs) bands (ev): -17.4803 -17.4803 -17.4754 -17.4754 -12.4736 -12.4735 -12.3774 -12.3773 -11.8307 -11.8307 -11.8112 -11.8111 -6.7999 -6.7995 -6.6821 -6.6816 -5.0464 -5.0444 -4.9902 -4.9823 -4.8642 -4.8498 -4.7663 -4.7582 -4.7270 -4.7137 -4.6194 -4.6130 -2.4903 -2.4538 -2.3689 -2.3307 -2.2992 -2.2643 -2.2186 -2.1831 -1.3571 -1.3455 -1.2327 -1.1436 -1.0767 -0.9874 -0.9409 -0.9201 -0.8666 -0.8610 -0.8203 -0.7361 -0.2901 -0.2618 -0.1242 -0.1020 0.2669 0.2795 0.6224 0.6325 0.8006 0.8082 0.9281 0.9485 1.0859 1.0974 1.2739 1.2909 1.3487 1.3754 1.8534 1.8647 5.5660 5.5839 6.3155 6.3420 6.4462 6.5226 6.8603 6.9512 7.3727 7.4230 7.8065 7.8413 8.8270 8.8636 k = 0.0000 0.4647 0.3437 ( 8193 PWs) bands (ev): -17.4790 -17.4790 -17.4743 -17.4743 -12.4700 -12.4699 -12.3766 -12.3766 -11.8288 -11.8288 -11.8117 -11.8116 -6.7973 -6.7969 -6.6791 -6.6786 -5.0487 -5.0469 -4.9964 -4.9889 -4.8666 -4.8547 -4.7777 -4.7666 -4.7376 -4.7229 -4.6184 -4.6126 -2.4938 -2.4606 -2.3700 -2.3356 -2.3016 -2.2667 -2.2195 -2.1833 -1.3548 -1.3416 -1.2316 -1.1413 -1.0787 -0.9914 -0.9421 -0.9206 -0.8642 -0.8572 -0.8188 -0.7347 -0.2896 -0.2613 -0.1251 -0.1024 0.2804 0.2907 0.6237 0.6324 0.8022 0.8119 0.9177 0.9405 1.0864 1.0973 1.2720 1.2914 1.3451 1.3721 1.8600 1.8708 5.5815 5.6001 6.2963 6.3213 6.4420 6.5121 6.8559 6.9421 7.3711 7.4213 7.7980 7.8318 8.8269 8.8648 k = 0.0000 0.4841 0.3437 ( 8189 PWs) bands (ev): -17.4777 -17.4777 -17.4731 -17.4731 -12.4665 -12.4664 -12.3759 -12.3759 -11.8272 -11.8272 -11.8120 -11.8120 -6.7948 -6.7944 -6.6762 -6.6757 -5.0523 -5.0504 -5.0018 -4.9947 -4.8700 -4.8606 -4.7884 -4.7750 -4.7458 -4.7305 -4.6169 -4.6115 -2.4971 -2.4673 -2.3711 -2.3405 -2.3041 -2.2693 -2.2203 -2.1837 -1.3526 -1.3378 -1.2297 -1.1388 -1.0810 -0.9958 -0.9436 -0.9212 -0.8621 -0.8537 -0.8168 -0.7338 -0.2885 -0.2602 -0.1262 -0.1032 0.2935 0.3016 0.6253 0.6325 0.8027 0.8156 0.9077 0.9328 1.0876 1.0980 1.2704 1.2918 1.3425 1.3693 1.8663 1.8766 5.5965 5.6158 6.2774 6.3009 6.4361 6.4986 6.8520 6.9329 7.3710 7.4204 7.7880 7.8207 8.8279 8.8668 k = 0.0000 0.5035 0.3437 ( 8194 PWs) bands (ev): -17.4765 -17.4765 -17.4720 -17.4720 -12.4631 -12.4630 -12.3753 -12.3752 -11.8259 -11.8258 -11.8120 -11.8120 -6.7924 -6.7921 -6.6735 -6.6730 -5.0571 -5.0549 -5.0063 -4.9999 -4.8743 -4.8673 -4.7983 -4.7838 -4.7514 -4.7366 -4.6150 -4.6102 -2.5004 -2.4738 -2.3722 -2.3453 -2.3066 -2.2723 -2.2208 -2.1843 -1.3506 -1.3344 -1.2270 -1.1360 -1.0836 -1.0008 -0.9454 -0.9222 -0.8602 -0.8510 -0.8142 -0.7336 -0.2869 -0.2588 -0.1276 -0.1042 0.3061 0.3121 0.6272 0.6328 0.8022 0.8190 0.8983 0.9255 1.0895 1.0994 1.2693 1.2918 1.3408 1.3671 1.8721 1.8819 5.6111 5.6308 6.2595 6.2813 6.4281 6.4823 6.8485 6.9238 7.3725 7.4204 7.7764 7.8080 8.8301 8.8694 k = 0.0000 0.5228 0.3437 ( 8174 PWs) bands (ev): -17.4754 -17.4754 -17.4710 -17.4709 -12.4599 -12.4598 -12.3746 -12.3746 -11.8248 -11.8248 -11.8118 -11.8118 -6.7902 -6.7899 -6.6709 -6.6704 -5.0628 -5.0604 -5.0101 -5.0044 -4.8791 -4.8739 -4.8075 -4.7929 -4.7545 -4.7412 -4.6128 -4.6085 -2.5036 -2.4801 -2.3732 -2.3501 -2.3090 -2.2755 -2.2210 -2.1850 -1.3486 -1.3315 -1.2235 -1.1331 -1.0864 -1.0061 -0.9472 -0.9233 -0.8583 -0.8489 -0.8109 -0.7340 -0.2849 -0.2571 -0.1291 -0.1055 0.3180 0.3224 0.6292 0.6332 0.8010 0.8219 0.8896 0.9187 1.0917 1.1015 1.2685 1.2914 1.3402 1.3653 1.8777 1.8869 5.6252 5.6450 6.2428 6.2629 6.4181 6.4638 6.8454 6.9149 7.3758 7.4215 7.7634 7.7938 8.8336 8.8724 k = 0.0000 0.5422 0.3437 ( 8174 PWs) bands (ev): -17.4743 -17.4743 -17.4700 -17.4700 -12.4568 -12.4567 -12.3741 -12.3740 -11.8241 -11.8241 -11.8113 -11.8113 -6.7881 -6.7878 -6.6685 -6.6681 -5.0691 -5.0666 -5.0133 -5.0085 -4.8844 -4.8800 -4.8161 -4.8020 -4.7560 -4.7445 -4.6104 -4.6068 -2.5066 -2.4862 -2.3741 -2.3547 -2.3113 -2.2789 -2.2211 -2.1857 -1.3468 -1.3292 -1.2192 -1.1303 -1.0895 -1.0117 -0.9491 -0.9248 -0.8565 -0.8475 -0.8071 -0.7349 -0.2826 -0.2552 -0.1308 -0.1071 0.3290 0.3323 0.6313 0.6339 0.7992 0.8241 0.8818 0.9123 1.0942 1.1043 1.2682 1.2907 1.3404 1.3640 1.8828 1.8914 5.6386 5.6583 6.2276 6.2457 6.4060 6.4434 6.8426 6.9064 7.3809 7.4236 7.7490 7.7782 8.8381 8.8759 k = 0.0000 0.5616 0.3437 ( 8176 PWs) bands (ev): -17.4733 -17.4733 -17.4690 -17.4690 -12.4540 -12.4539 -12.3735 -12.3735 -11.8237 -11.8236 -11.8105 -11.8105 -6.7863 -6.7860 -6.6663 -6.6660 -5.0757 -5.0732 -5.0163 -5.0123 -4.8896 -4.8851 -4.8241 -4.8108 -4.7563 -4.7466 -4.6081 -4.6050 -2.5094 -2.4919 -2.3750 -2.3592 -2.3136 -2.2823 -2.2211 -2.1865 -1.3450 -1.3274 -1.2143 -1.1277 -1.0925 -1.0175 -0.9509 -0.9265 -0.8548 -0.8466 -0.8028 -0.7365 -0.2799 -0.2531 -0.1326 -0.1090 0.3389 0.3422 0.6334 0.6349 0.7969 0.8252 0.8751 0.9063 1.0969 1.1074 1.2682 1.2897 1.3413 1.3632 1.8875 1.8954 5.6513 5.6706 6.2142 6.2301 6.3922 6.4219 6.8401 6.8981 7.3878 7.4270 7.7337 7.7614 8.8435 8.8795 k = 0.0000 0.5809 0.3437 ( 8167 PWs) bands (ev): -17.4723 -17.4723 -17.4682 -17.4682 -12.4514 -12.4513 -12.3730 -12.3730 -11.8234 -11.8234 -11.8096 -11.8096 -6.7846 -6.7844 -6.6644 -6.6641 -5.0823 -5.0798 -5.0192 -5.0161 -4.8941 -4.8891 -4.8317 -4.8193 -4.7559 -4.7477 -4.6057 -4.6032 -2.5121 -2.4974 -2.3757 -2.3634 -2.3157 -2.2857 -2.2208 -2.1873 -1.3434 -1.3262 -1.2089 -1.1260 -1.0950 -1.0234 -0.9524 -0.9285 -0.8533 -0.8462 -0.7983 -0.7386 -0.2771 -0.2510 -0.1343 -0.1112 0.3479 0.3516 0.6348 0.6370 0.7944 0.8251 0.8698 0.9008 1.0998 1.1107 1.2686 1.2886 1.3426 1.3628 1.8918 1.8989 5.6633 5.6818 6.2027 6.2162 6.3771 6.3997 6.8378 6.8900 7.3964 7.4317 7.7177 7.7439 8.8497 8.8832 k = 0.0000 0.6003 0.3437 ( 8167 PWs) bands (ev): -17.4715 -17.4715 -17.4674 -17.4674 -12.4491 -12.4490 -12.3726 -12.3726 -11.8233 -11.8233 -11.8086 -11.8086 -6.7832 -6.7830 -6.6628 -6.6624 -5.0886 -5.0861 -5.0221 -5.0199 -4.8977 -4.8921 -4.8387 -4.8274 -4.7551 -4.7482 -4.6034 -4.6014 -2.5146 -2.5024 -2.3764 -2.3674 -2.3176 -2.2889 -2.2204 -2.1880 -1.3419 -1.3255 -1.2031 -1.1256 -1.0965 -1.0294 -0.9537 -0.9307 -0.8518 -0.8461 -0.7936 -0.7412 -0.2740 -0.2489 -0.1360 -0.1136 0.3561 0.3604 0.6358 0.6395 0.7919 0.8236 0.8660 0.8956 1.1027 1.1141 1.2692 1.2874 1.3444 1.3629 1.8958 1.9020 5.6744 5.6919 6.1930 6.2041 6.3610 6.3777 6.8357 6.8821 7.4066 7.4376 7.7013 7.7260 8.8562 8.8868 k = 0.0000 0.6196 0.3437 ( 8172 PWs) bands (ev): -17.4707 -17.4707 -17.4667 -17.4667 -12.4470 -12.4469 -12.3723 -12.3722 -11.8233 -11.8232 -11.8077 -11.8076 -6.7820 -6.7819 -6.6614 -6.6611 -5.0944 -5.0919 -5.0251 -5.0236 -4.9000 -4.8940 -4.8452 -4.8349 -4.7540 -4.7483 -4.6012 -4.5998 -2.5170 -2.5071 -2.3769 -2.3709 -2.3193 -2.2920 -2.2198 -2.1886 -1.3407 -1.3251 -1.1971 -1.1272 -1.0963 -1.0353 -0.9547 -0.9331 -0.8505 -0.8462 -0.7889 -0.7444 -0.2709 -0.2470 -0.1374 -0.1162 0.3636 0.3682 0.6368 0.6423 0.7896 0.8208 0.8637 0.8909 1.1057 1.1173 1.2700 1.2862 1.3463 1.3632 1.8993 1.9046 5.6845 5.7006 6.1852 6.1939 6.3446 6.3563 6.8338 6.8742 7.4183 7.4448 7.6852 7.7080 8.8629 8.8900 k = 0.0000 0.6390 0.3437 ( 8161 PWs) bands (ev): -17.4700 -17.4700 -17.4661 -17.4661 -12.4452 -12.4451 -12.3719 -12.3719 -11.8232 -11.8232 -11.8067 -11.8067 -6.7811 -6.7810 -6.6603 -6.6601 -5.0995 -5.0971 -5.0280 -5.0270 -4.9010 -4.8949 -4.8512 -4.8419 -4.7529 -4.7480 -4.5991 -4.5982 -2.5192 -2.5111 -2.3776 -2.3739 -2.3207 -2.2948 -2.2190 -2.1891 -1.3396 -1.3250 -1.1909 -1.1308 -1.0946 -1.0412 -0.9552 -0.9356 -0.8493 -0.8465 -0.7843 -0.7481 -0.2678 -0.2454 -0.1385 -0.1190 0.3703 0.3751 0.6378 0.6451 0.7876 0.8171 0.8626 0.8865 1.1085 1.1205 1.2709 1.2851 1.3483 1.3638 1.9025 1.9068 5.6937 5.7081 6.1791 6.1858 6.3281 6.3364 6.8322 6.8664 7.4313 7.4532 7.6697 7.6905 8.8695 8.8928 k = 0.0000 0.6584 0.3437 ( 8162 PWs) bands (ev): -17.4694 -17.4694 -17.4656 -17.4656 -12.4437 -12.4437 -12.3717 -12.3717 -11.8231 -11.8231 -11.8059 -11.8059 -6.7805 -6.7805 -6.6596 -6.6593 -5.1038 -5.1015 -5.0307 -5.0302 -4.9009 -4.8950 -4.8566 -4.8484 -4.7518 -4.7476 -4.5973 -4.5968 -2.5214 -2.5145 -2.3791 -2.3754 -2.3218 -2.2974 -2.2181 -2.1895 -1.3389 -1.3249 -1.1848 -1.1358 -1.0917 -1.0470 -0.9555 -0.9382 -0.8484 -0.8468 -0.7798 -0.7522 -0.2648 -0.2442 -0.1392 -0.1220 0.3763 0.3808 0.6386 0.6479 0.7861 0.8129 0.8624 0.8825 1.1112 1.1235 1.2718 1.2839 1.3503 1.3646 1.9052 1.9085 5.7018 5.7142 6.1745 6.1796 6.3123 6.3185 6.8308 6.8586 7.4452 7.4624 7.6555 7.6740 8.8756 8.8951 k = 0.0000 0.6777 0.3437 ( 8166 PWs) bands (ev): -17.4689 -17.4689 -17.4652 -17.4652 -12.4426 -12.4425 -12.3715 -12.3715 -11.8229 -11.8229 -11.8052 -11.8052 -6.7802 -6.7802 -6.6591 -6.6590 -5.1072 -5.1050 -5.0330 -5.0329 -4.8998 -4.8945 -4.8612 -4.8543 -4.7509 -4.7472 -4.5959 -4.5954 -2.5238 -2.5171 -2.3813 -2.3756 -2.3225 -2.2996 -2.2170 -2.1897 -1.3386 -1.3248 -1.1788 -1.1419 -1.0881 -1.0527 -0.9553 -0.9408 -0.8481 -0.8469 -0.7756 -0.7568 -0.2619 -0.2434 -0.1395 -0.1249 0.3814 0.3855 0.6393 0.6507 0.7852 0.8086 0.8628 0.8788 1.1137 1.1264 1.2725 1.2828 1.3521 1.3654 1.9075 1.9099 5.7087 5.7190 6.1710 6.1754 6.2979 6.3031 6.8296 6.8510 7.4596 7.4721 7.6432 7.6592 8.8811 8.8966 k = 0.0000 0.6971 0.3437 ( 8171 PWs) bands (ev): -17.4686 -17.4685 -17.4648 -17.4648 -12.4417 -12.4417 -12.3714 -12.3713 -11.8227 -11.8227 -11.8046 -11.8046 -6.7802 -6.7802 -6.6590 -6.6589 -5.1096 -5.1075 -5.0351 -5.0348 -4.8978 -4.8937 -4.8648 -4.8597 -4.7500 -4.7468 -4.5949 -4.5940 -2.5263 -2.5187 -2.3836 -2.3752 -2.3229 -2.3014 -2.2157 -2.1897 -1.3387 -1.3246 -1.1731 -1.1486 -1.0842 -1.0581 -0.9550 -0.9434 -0.8486 -0.8465 -0.7717 -0.7618 -0.2594 -0.2433 -0.1394 -0.1277 0.3854 0.3891 0.6398 0.6533 0.7851 0.8045 0.8637 0.8756 1.1158 1.1293 1.2731 1.2818 1.3537 1.3663 1.9093 1.9110 5.7142 5.7225 6.1689 6.1727 6.2858 6.2902 6.8286 6.8435 7.4739 7.4814 7.6337 7.6471 8.8857 8.8974 k = 0.0000 0.7165 0.3437 ( 8171 PWs) bands (ev): -17.4683 -17.4683 -17.4646 -17.4646 -12.4412 -12.4412 -12.3713 -12.3713 -11.8224 -11.8224 -11.8042 -11.8042 -6.7805 -6.7804 -6.6593 -6.6592 -5.1110 -5.1090 -5.0365 -5.0360 -4.8952 -4.8929 -4.8671 -4.8642 -4.7494 -4.7466 -4.5941 -4.5927 -2.5287 -2.5196 -2.3856 -2.3744 -2.3228 -2.3028 -2.2143 -2.1896 -1.3392 -1.3242 -1.1676 -1.1558 -1.0800 -1.0632 -0.9545 -0.9458 -0.8494 -0.8461 -0.7685 -0.7667 -0.2571 -0.2437 -0.1388 -0.1303 0.3883 0.3918 0.6400 0.6557 0.7859 0.8008 0.8649 0.8726 1.1174 1.1321 1.2734 1.2808 1.3550 1.3671 1.9103 1.9121 5.7179 5.7250 6.1680 6.1709 6.2765 6.2805 6.8278 6.8363 7.4871 7.4894 7.6279 7.6389 8.8893 8.8974 k = 0.0000 0.7358 0.3437 ( 8168 PWs) bands (ev): -17.4681 -17.4681 -17.4645 -17.4645 -12.4410 -12.4410 -12.3713 -12.3713 -11.8220 -11.8220 -11.8039 -11.8039 -6.7811 -6.7810 -6.6599 -6.6598 -5.1112 -5.1093 -5.0371 -5.0364 -4.8936 -4.8915 -4.8687 -4.8668 -4.7490 -4.7465 -4.5936 -4.5917 -2.5309 -2.5199 -2.3872 -2.3733 -2.3224 -2.3038 -2.2127 -2.1892 -1.3401 -1.3237 -1.1636 -1.1623 -1.0761 -1.0678 -0.9542 -0.9476 -0.8503 -0.8458 -0.7730 -0.7646 -0.2554 -0.2447 -0.1381 -0.1323 0.3899 0.3935 0.6399 0.6579 0.7875 0.7976 0.8664 0.8701 1.1186 1.1347 1.2734 1.2801 1.3560 1.3677 1.9106 1.9131 5.7195 5.7267 6.1683 6.1696 6.2699 6.2753 6.8268 6.8299 7.4943 7.4984 7.6264 7.6366 8.8916 8.8967 k = 0.0000 0.7358 0.3437 ( 8168 PWs) bands (ev): -17.4681 -17.4681 -17.4645 -17.4645 -12.4410 -12.4410 -12.3713 -12.3713 -11.8220 -11.8220 -11.8039 -11.8039 -6.7811 -6.7810 -6.6599 -6.6598 -5.1112 -5.1093 -5.0371 -5.0364 -4.8936 -4.8915 -4.8687 -4.8668 -4.7490 -4.7465 -4.5936 -4.5917 -2.5309 -2.5199 -2.3872 -2.3733 -2.3224 -2.3038 -2.2127 -2.1892 -1.3401 -1.3237 -1.1636 -1.1623 -1.0761 -1.0678 -0.9542 -0.9476 -0.8503 -0.8458 -0.7730 -0.7646 -0.2554 -0.2447 -0.1381 -0.1323 0.3899 0.3935 0.6399 0.6579 0.7875 0.7976 0.8664 0.8701 1.1186 1.1347 1.2734 1.2801 1.3560 1.3677 1.9106 1.9131 5.7195 5.7267 6.1683 6.1696 6.2699 6.2753 6.8268 6.8299 7.4943 7.4984 7.6264 7.6366 8.8916 8.8967 k = 0.0000 0.7415 0.3295 ( 8172 PWs) bands (ev): -17.4680 -17.4680 -17.4645 -17.4645 -12.4411 -12.4410 -12.3711 -12.3711 -11.8220 -11.8220 -11.8041 -11.8041 -6.7804 -6.7803 -6.6595 -6.6594 -5.1122 -5.1109 -5.0383 -5.0378 -4.8923 -4.8908 -4.8682 -4.8669 -4.7487 -4.7469 -4.5938 -4.5926 -2.5280 -2.5203 -2.3863 -2.3767 -2.3195 -2.3064 -2.2125 -2.1961 -1.3371 -1.3261 -1.1623 -1.1614 -1.0733 -1.0678 -0.9516 -0.9471 -0.8484 -0.8453 -0.7700 -0.7643 -0.2531 -0.2459 -0.1372 -0.1331 0.3906 0.3931 0.6409 0.6531 0.7885 0.7953 0.8670 0.8694 1.1202 1.1311 1.2738 1.2783 1.3579 1.3658 1.9102 1.9119 5.7220 5.7269 6.1706 6.1714 6.2723 6.2760 6.8283 6.8303 7.4928 7.4956 7.6220 7.6288 8.8886 8.8923 k = 0.0000 0.7472 0.3152 ( 8168 PWs) bands (ev): -17.4680 -17.4680 -17.4645 -17.4645 -12.4411 -12.4411 -12.3709 -12.3709 -11.8220 -11.8220 -11.8041 -11.8041 -6.7800 -6.7800 -6.6592 -6.6592 -5.1127 -5.1121 -5.0389 -5.0387 -4.8913 -4.8906 -4.8678 -4.8671 -4.7483 -4.7474 -4.5938 -4.5932 -2.5253 -2.5213 -2.3847 -2.3798 -2.3163 -2.3095 -2.2106 -2.2021 -1.3342 -1.3286 -1.1614 -1.1609 -1.0711 -1.0684 -0.9495 -0.9472 -0.8469 -0.8453 -0.7676 -0.7647 -0.2510 -0.2473 -0.1362 -0.1341 0.3913 0.3926 0.6428 0.6490 0.7898 0.7932 0.8675 0.8687 1.1223 1.1278 1.2745 1.2767 1.3598 1.3638 1.9101 1.9110 5.7241 5.7265 6.1721 6.1725 6.2742 6.2760 6.8294 6.8304 7.4923 7.4937 7.6200 7.6235 8.8873 8.8891 k = 0.0000 0.7529 0.3010 ( 8168 PWs) bands (ev): -17.4680 -17.4680 -17.4645 -17.4645 -12.4411 -12.4411 -12.3709 -12.3709 -11.8220 -11.8220 -11.8042 -11.8042 -6.7799 -6.7799 -6.6591 -6.6591 -5.1126 -5.1126 -5.0390 -5.0390 -4.8908 -4.8908 -4.8674 -4.8674 -4.7479 -4.7479 -4.5936 -4.5936 -2.5231 -2.5231 -2.3825 -2.3825 -2.3129 -2.3129 -2.2070 -2.2070 -1.3314 -1.3314 -1.1609 -1.1609 -1.0695 -1.0695 -0.9480 -0.9480 -0.8459 -0.8459 -0.7658 -0.7658 -0.2491 -0.2491 -0.1351 -0.1351 0.3919 0.3919 0.6455 0.6455 0.7913 0.7913 0.8681 0.8681 1.1249 1.1249 1.2755 1.2755 1.3618 1.3618 1.9104 1.9104 5.7256 5.7256 6.1727 6.1727 6.2754 6.2754 6.8301 6.8301 7.4926 7.4926 7.6205 7.6205 8.8874 8.8874 k = 0.0000 0.7529 0.3010 ( 8168 PWs) bands (ev): -17.4680 -17.4680 -17.4645 -17.4645 -12.4411 -12.4411 -12.3709 -12.3709 -11.8220 -11.8220 -11.8042 -11.8042 -6.7799 -6.7799 -6.6591 -6.6591 -5.1126 -5.1126 -5.0390 -5.0390 -4.8908 -4.8908 -4.8674 -4.8674 -4.7479 -4.7479 -4.5936 -4.5936 -2.5231 -2.5231 -2.3825 -2.3825 -2.3129 -2.3129 -2.2070 -2.2070 -1.3314 -1.3314 -1.1609 -1.1609 -1.0695 -1.0695 -0.9480 -0.9480 -0.8459 -0.8459 -0.7658 -0.7658 -0.2491 -0.2491 -0.1351 -0.1351 0.3919 0.3919 0.6455 0.6455 0.7913 0.7913 0.8681 0.8681 1.1249 1.1249 1.2755 1.2755 1.3618 1.3618 1.9104 1.9104 5.7256 5.7256 6.1727 6.1727 6.2754 6.2754 6.8301 6.8301 7.4926 7.4926 7.6205 7.6205 8.8874 8.8874 k = 0.0192 0.7529 0.3010 ( 8168 PWs) bands (ev): -17.4679 -17.4679 -17.4645 -17.4645 -12.4410 -12.4410 -12.3709 -12.3709 -11.8220 -11.8220 -11.8042 -11.8042 -6.7798 -6.7798 -6.6592 -6.6592 -5.1131 -5.1122 -5.0396 -5.0388 -4.8914 -4.8904 -4.8689 -4.8669 -4.7479 -4.7468 -4.5937 -4.5937 -2.5235 -2.5224 -2.3826 -2.3824 -2.3126 -2.3123 -2.2082 -2.2057 -1.3334 -1.3290 -1.1627 -1.1593 -1.0721 -1.0663 -0.9497 -0.9463 -0.8463 -0.8459 -0.7700 -0.7619 -0.2508 -0.2473 -0.1375 -0.1333 0.3920 0.3924 0.6454 0.6460 0.7901 0.7925 0.8680 0.8686 1.1239 1.1259 1.2755 1.2764 1.3616 1.3616 1.9096 1.9100 5.7210 5.7210 6.1705 6.1737 6.2766 6.2809 6.8296 6.8332 7.4923 7.4938 7.6192 7.6235 8.8860 8.8883 k = 0.0385 0.7529 0.3010 ( 8166 PWs) bands (ev): -17.4679 -17.4679 -17.4646 -17.4645 -12.4408 -12.4408 -12.3711 -12.3711 -11.8220 -11.8220 -11.8042 -11.8042 -6.7795 -6.7795 -6.6596 -6.6596 -5.1135 -5.1118 -5.0405 -5.0388 -4.8924 -4.8905 -4.8712 -4.8674 -4.7469 -4.7448 -4.5938 -4.5937 -2.5236 -2.5214 -2.3828 -2.3824 -2.3115 -2.3109 -2.2091 -2.2042 -1.3350 -1.3264 -1.1647 -1.1580 -1.0742 -1.0627 -0.9512 -0.9445 -0.8472 -0.8464 -0.7743 -0.7582 -0.2526 -0.2457 -0.1404 -0.1321 0.3927 0.3934 0.6456 0.6469 0.7887 0.7934 0.8684 0.8695 1.1229 1.1269 1.2765 1.2783 1.3608 1.3609 1.9074 1.9084 5.7080 5.7081 6.1658 6.1723 6.2855 6.2936 6.8319 6.8388 7.4929 7.4960 7.6197 7.6282 8.8841 8.8887 k = 0.0577 0.7529 0.3010 ( 8162 PWs) bands (ev): -17.4679 -17.4679 -17.4646 -17.4646 -12.4405 -12.4405 -12.3714 -12.3714 -11.8219 -11.8219 -11.8043 -11.8043 -6.7790 -6.7790 -6.6602 -6.6602 -5.1140 -5.1114 -5.0418 -5.0392 -4.8937 -4.8908 -4.8743 -4.8688 -4.7449 -4.7419 -4.5939 -4.5939 -2.5234 -2.5201 -2.3830 -2.3823 -2.3097 -2.3086 -2.2099 -2.2026 -1.3363 -1.3235 -1.1668 -1.1569 -1.0756 -1.0587 -0.9526 -0.9425 -0.8484 -0.8474 -0.7787 -0.7549 -0.2543 -0.2441 -0.1438 -0.1315 0.3939 0.3950 0.6461 0.6481 0.7872 0.7943 0.8693 0.8708 1.1220 1.1279 1.2785 1.2810 1.3597 1.3599 1.9041 1.9055 5.6881 5.6886 6.1565 6.1662 6.3028 6.3140 6.8368 6.8465 7.4944 7.4992 7.6218 7.6347 8.8818 8.8884 k = 0.0769 0.7529 0.3010 ( 8160 PWs) bands (ev): -17.4679 -17.4679 -17.4646 -17.4646 -12.4400 -12.4400 -12.3718 -12.3718 -11.8218 -11.8218 -11.8045 -11.8044 -6.7784 -6.7783 -6.6611 -6.6611 -5.1145 -5.1110 -5.0433 -5.0398 -4.8954 -4.8915 -4.8780 -4.8710 -4.7420 -4.7383 -4.5941 -4.5941 -2.5229 -2.5186 -2.3833 -2.3823 -2.3072 -2.3056 -2.2105 -2.2008 -1.3371 -1.3204 -1.1690 -1.1562 -1.0764 -1.0544 -0.9539 -0.9405 -0.8499 -0.8491 -0.7830 -0.7520 -0.2561 -0.2425 -0.1477 -0.1315 0.3956 0.3971 0.6468 0.6498 0.7857 0.7952 0.8706 0.8725 1.1212 1.1289 1.2813 1.2847 1.3580 1.3584 1.8995 1.9014 5.6633 5.6644 6.1417 6.1546 6.3276 6.3415 6.8439 6.8558 7.4968 7.5035 7.6255 7.6427 8.8791 8.8877 k = 0.0962 0.7529 0.3010 ( 8164 PWs) bands (ev): -17.4679 -17.4678 -17.4646 -17.4646 -12.4394 -12.4393 -12.3723 -12.3723 -11.8217 -11.8217 -11.8046 -11.8046 -6.7775 -6.7774 -6.6622 -6.6622 -5.1149 -5.1106 -5.0451 -5.0408 -4.8973 -4.8926 -4.8822 -4.8739 -4.7384 -4.7341 -4.5944 -4.5943 -2.5221 -2.5168 -2.3836 -2.3822 -2.3040 -2.3019 -2.2110 -2.1989 -1.3375 -1.3170 -1.1712 -1.1557 -1.0765 -1.0499 -0.9552 -0.9384 -0.8516 -0.8513 -0.7872 -0.7496 -0.2578 -0.2411 -0.1520 -0.1320 0.3980 0.3998 0.6476 0.6516 0.7843 0.7961 0.8723 0.8745 1.1206 1.1298 1.2849 1.2891 1.3561 1.3567 1.8936 1.8961 5.6357 5.6375 6.1221 6.1377 6.3580 6.3742 6.8527 6.8661 7.5000 7.5087 7.6307 7.6521 8.8762 8.8864 k = 0.1154 0.7529 0.3010 ( 8166 PWs) bands (ev): -17.4678 -17.4678 -17.4646 -17.4646 -12.4386 -12.4386 -12.3730 -12.3729 -11.8215 -11.8215 -11.8048 -11.8048 -6.7764 -6.7764 -6.6635 -6.6635 -5.1154 -5.1103 -5.0471 -5.0420 -4.8996 -4.8939 -4.8867 -4.8774 -4.7341 -4.7295 -4.5948 -4.5947 -2.5209 -2.5147 -2.3840 -2.3820 -2.3004 -2.2976 -2.2113 -2.1970 -1.3375 -1.3134 -1.1735 -1.1555 -1.0759 -1.0451 -0.9565 -0.9363 -0.8540 -0.8534 -0.7913 -0.7477 -0.2595 -0.2397 -0.1568 -0.1331 0.4008 0.4030 0.6484 0.6537 0.7830 0.7971 0.8744 0.8768 1.1201 1.1308 1.2892 1.2941 1.3538 1.3549 1.8865 1.8895 5.6067 5.6094 6.0985 6.1163 6.3920 6.4102 6.8628 6.8769 7.5040 7.5149 7.6372 7.6629 8.8730 8.8846 k = 0.1346 0.7529 0.3010 ( 8158 PWs) bands (ev): -17.4678 -17.4677 -17.4646 -17.4646 -12.4377 -12.4377 -12.3737 -12.3737 -11.8213 -11.8213 -11.8050 -11.8050 -6.7752 -6.7751 -6.6651 -6.6651 -5.1158 -5.1099 -5.0494 -5.0435 -4.9022 -4.8955 -4.8914 -4.8812 -4.7294 -4.7245 -4.5952 -4.5951 -2.5193 -2.5123 -2.3845 -2.3818 -2.2962 -2.2928 -2.2115 -2.1949 -1.3370 -1.3096 -1.1759 -1.1556 -1.0747 -1.0402 -0.9579 -0.9342 -0.8571 -0.8553 -0.7952 -0.7463 -0.2611 -0.2385 -0.1619 -0.1347 0.4042 0.4067 0.6490 0.6557 0.7821 0.7983 0.8768 0.8793 1.1199 1.1319 1.2938 1.2997 1.3514 1.3531 1.8783 1.8818 5.5776 5.5813 6.0718 6.0913 6.4277 6.4478 6.8737 6.8879 7.5088 7.5222 7.6449 7.6747 8.8698 8.8825 k = 0.1538 0.7529 0.3010 ( 8158 PWs) bands (ev): -17.4677 -17.4677 -17.4647 -17.4647 -12.4367 -12.4367 -12.3745 -12.3745 -11.8211 -11.8211 -11.8053 -11.8053 -6.7738 -6.7737 -6.6669 -6.6668 -5.1162 -5.1095 -5.0519 -5.0453 -4.9050 -4.8974 -4.8962 -4.8852 -4.7242 -4.7193 -4.5958 -4.5957 -2.5173 -2.5095 -2.3850 -2.3816 -2.2918 -2.2875 -2.2116 -2.1928 -1.3361 -1.3056 -1.1783 -1.1559 -1.0730 -1.0353 -0.9595 -0.9322 -0.8606 -0.8572 -0.7990 -0.7454 -0.2626 -0.2373 -0.1674 -0.1369 0.4081 0.4110 0.6492 0.6574 0.7816 0.7999 0.8795 0.8820 1.1200 1.1330 1.2985 1.3053 1.3494 1.3518 1.8688 1.8729 5.5493 5.5540 6.0426 6.0635 6.4642 6.4860 6.8850 6.8985 7.5144 7.5304 7.6534 7.6872 8.8664 8.8800 k = 0.1731 0.7529 0.3010 ( 8150 PWs) bands (ev): -17.4676 -17.4676 -17.4647 -17.4647 -12.4356 -12.4356 -12.3755 -12.3754 -11.8209 -11.8209 -11.8056 -11.8056 -6.7722 -6.7721 -6.6689 -6.6688 -5.1165 -5.1091 -5.0546 -5.0473 -4.9082 -4.9009 -4.8995 -4.8895 -4.7188 -4.7139 -4.5964 -4.5963 -2.5150 -2.5065 -2.3856 -2.3814 -2.2870 -2.2818 -2.2115 -2.1907 -1.3346 -1.3013 -1.1808 -1.1563 -1.0709 -1.0303 -0.9614 -0.9304 -0.8642 -0.8589 -0.8026 -0.7451 -0.2640 -0.2362 -0.1731 -0.1395 0.4125 0.4158 0.6490 0.6588 0.7818 0.8019 0.8824 0.8848 1.1204 1.1343 1.3026 1.3103 1.3483 1.3515 1.8582 1.8628 5.5225 5.5283 6.0115 6.0333 6.5003 6.5237 6.8961 6.9084 7.5207 7.5396 7.6625 7.7003 8.8630 8.8773 k = 0.1923 0.7529 0.3010 ( 8152 PWs) bands (ev): -17.4676 -17.4675 -17.4647 -17.4647 -12.4344 -12.4344 -12.3766 -12.3765 -11.8206 -11.8206 -11.8059 -11.8059 -6.7704 -6.7703 -6.6711 -6.6710 -5.1168 -5.1087 -5.0574 -5.0494 -4.9117 -4.9053 -4.9019 -4.8937 -4.7133 -4.7084 -4.5972 -4.5971 -2.5123 -2.5032 -2.3863 -2.3813 -2.2821 -2.2759 -2.2114 -2.1887 -1.3326 -1.2969 -1.1834 -1.1569 -1.0684 -1.0253 -0.9636 -0.9288 -0.8677 -0.8604 -0.8060 -0.7454 -0.2653 -0.2353 -0.1790 -0.1425 0.4174 0.4211 0.6482 0.6595 0.7828 0.8044 0.8854 0.8877 1.1212 1.1357 1.3053 1.3135 1.3494 1.3530 1.8465 1.8517 5.4976 5.5045 5.9790 6.0014 6.5356 6.5604 6.9067 6.9173 7.5277 7.5497 7.6719 7.7134 8.8597 8.8744 k = 0.2115 0.7529 0.3010 ( 8150 PWs) bands (ev): -17.4675 -17.4675 -17.4648 -17.4648 -12.4331 -12.4330 -12.3777 -12.3777 -11.8204 -11.8203 -11.8063 -11.8063 -6.7685 -6.7683 -6.6735 -6.6734 -5.1170 -5.1082 -5.0604 -5.0517 -4.9155 -4.9096 -4.9045 -4.8978 -4.7076 -4.7029 -4.5981 -4.5980 -2.5091 -2.4995 -2.3871 -2.3812 -2.2770 -2.2698 -2.2112 -2.1867 -1.3301 -1.2923 -1.1860 -1.1575 -1.0656 -1.0203 -0.9663 -0.9276 -0.8710 -0.8614 -0.8094 -0.7462 -0.2665 -0.2344 -0.1851 -0.1460 0.4228 0.4269 0.6468 0.6593 0.7849 0.8075 0.8885 0.8905 1.1224 1.1374 1.3060 1.3138 1.3537 1.3569 1.8337 1.8395 5.4751 5.4830 5.9454 5.9683 6.5696 6.5956 6.9166 6.9250 7.5353 7.5606 7.6813 7.7263 8.8565 8.8714 k = 0.2308 0.7529 0.3010 ( 8150 PWs) bands (ev): -17.4674 -17.4674 -17.4648 -17.4648 -12.4316 -12.4316 -12.3790 -12.3789 -11.8200 -11.8200 -11.8067 -11.8066 -6.7663 -6.7662 -6.6761 -6.6760 -5.1172 -5.1077 -5.0635 -5.0542 -4.9195 -4.9135 -4.9073 -4.9018 -4.7019 -4.6973 -4.5991 -4.5990 -2.5056 -2.4955 -2.3880 -2.3814 -2.2719 -2.2635 -2.2109 -2.1848 -1.3271 -1.2875 -1.1887 -1.1582 -1.0626 -1.0154 -0.9694 -0.9268 -0.8739 -0.8620 -0.8127 -0.7476 -0.2675 -0.2335 -0.1912 -0.1498 0.4287 0.4332 0.6445 0.6581 0.7880 0.8112 0.8916 0.8933 1.1241 1.1393 1.3045 1.3114 1.3610 1.3634 1.8199 1.8262 5.4553 5.4641 5.9110 5.9342 6.6019 6.6291 6.9255 6.9315 7.5436 7.5722 7.6903 7.7386 8.8534 8.8683 k = 0.2500 0.7529 0.3010 ( 8146 PWs) bands (ev): -17.4673 -17.4673 -17.4649 -17.4649 -12.4301 -12.4300 -12.3803 -12.3803 -11.8197 -11.8197 -11.8071 -11.8070 -6.7641 -6.7639 -6.6788 -6.6787 -5.1172 -5.1071 -5.0667 -5.0568 -4.9235 -4.9173 -4.9102 -4.9056 -4.6961 -4.6918 -4.6003 -4.6002 -2.5017 -2.4912 -2.3892 -2.3817 -2.2667 -2.2571 -2.2107 -2.1831 -1.3236 -1.2825 -1.1916 -1.1590 -1.0596 -1.0107 -0.9730 -0.9266 -0.8762 -0.8620 -0.8160 -0.7495 -0.2684 -0.2327 -0.1974 -0.1538 0.4350 0.4399 0.6415 0.6558 0.7922 0.8154 0.8945 0.8959 1.1262 1.1415 1.3013 1.3071 1.3706 1.3721 1.8052 1.8120 5.4382 5.4481 5.8763 5.8995 6.6324 6.6605 6.9333 6.9365 7.5524 7.5846 7.6986 7.7499 8.8504 8.8653 k = 0.2692 0.7529 0.3010 ( 8144 PWs) bands (ev): -17.4672 -17.4672 -17.4650 -17.4649 -12.4284 -12.4284 -12.3818 -12.3817 -11.8194 -11.8194 -11.8075 -11.8075 -6.7616 -6.7615 -6.6817 -6.6816 -5.1172 -5.1065 -5.0699 -5.0595 -4.9275 -4.9209 -4.9133 -4.9091 -4.6904 -4.6863 -4.6017 -4.6015 -2.4974 -2.4865 -2.3906 -2.3823 -2.2616 -2.2508 -2.2104 -2.1815 -1.3196 -1.2772 -1.1946 -1.1598 -1.0565 -1.0060 -0.9772 -0.9269 -0.8780 -0.8612 -0.8194 -0.7519 -0.2691 -0.2319 -0.2035 -0.1582 0.4418 0.4471 0.6376 0.6524 0.7975 0.8202 0.8972 0.8983 1.1290 1.1440 1.2968 1.3016 1.3818 1.3823 1.7897 1.7969 5.4242 5.4349 5.8414 5.8645 6.6610 6.6900 6.9397 6.9400 7.5616 7.5974 7.7059 7.7600 8.8476 8.8623 k = 0.2885 0.7529 0.3010 ( 8150 PWs) bands (ev): -17.4671 -17.4671 -17.4650 -17.4650 -12.4267 -12.4267 -12.3833 -12.3833 -11.8190 -11.8190 -11.8079 -11.8079 -6.7591 -6.7589 -6.6848 -6.6846 -5.1170 -5.1058 -5.0732 -5.0622 -4.9312 -4.9244 -4.9165 -4.9123 -4.6848 -4.6809 -4.6032 -4.6030 -2.4929 -2.4817 -2.3923 -2.3832 -2.2566 -2.2445 -2.2102 -2.1802 -1.3152 -1.2717 -1.1977 -1.1608 -1.0535 -1.0015 -0.9817 -0.9278 -0.8791 -0.8597 -0.8227 -0.7548 -0.2696 -0.2311 -0.2096 -0.1627 0.4489 0.4548 0.6330 0.6479 0.8036 0.8255 0.8997 0.9004 1.1323 1.1470 1.2914 1.2954 1.3939 1.3941 1.7733 1.7810 5.4131 5.4248 5.8065 5.8296 6.6877 6.7173 6.9421 6.9447 7.5713 7.6107 7.7121 7.7686 8.8450 8.8594 k = 0.3077 0.7529 0.3010 ( 8148 PWs) bands (ev): -17.4670 -17.4670 -17.4651 -17.4651 -12.4249 -12.4249 -12.3849 -12.3849 -11.8186 -11.8186 -11.8084 -11.8084 -6.7563 -6.7562 -6.6879 -6.6878 -5.1167 -5.1049 -5.0764 -5.0650 -4.9347 -4.9277 -4.9195 -4.9153 -4.6792 -4.6757 -4.6048 -4.6046 -2.4880 -2.4765 -2.3942 -2.3845 -2.2518 -2.2382 -2.2100 -2.1792 -1.3103 -1.2660 -1.2011 -1.1621 -1.0505 -0.9972 -0.9865 -0.9292 -0.8796 -0.8575 -0.8261 -0.7581 -0.2699 -0.2302 -0.2155 -0.1674 0.4564 0.4628 0.6275 0.6425 0.8105 0.8312 0.9017 0.9021 1.1362 1.1504 1.2853 1.2885 1.4065 1.4073 1.7563 1.7643 5.4051 5.4176 5.7720 5.7948 6.7126 6.7427 6.9428 6.9483 7.5814 7.6243 7.7168 7.7755 8.8427 8.8567 k = 0.3269 0.7529 0.3010 ( 8150 PWs) bands (ev): -17.4669 -17.4669 -17.4652 -17.4651 -12.4230 -12.4230 -12.3866 -12.3866 -11.8182 -11.8182 -11.8089 -11.8089 -6.7535 -6.7533 -6.6912 -6.6911 -5.1162 -5.1040 -5.0797 -5.0678 -4.9379 -4.9309 -4.9224 -4.9182 -4.6738 -4.6705 -4.6067 -4.6064 -2.4828 -2.4711 -2.3965 -2.3861 -2.2471 -2.2322 -2.2098 -2.1785 -1.3051 -1.2600 -1.2047 -1.1636 -1.0477 -0.9931 -0.9915 -0.9312 -0.8795 -0.8545 -0.8295 -0.7619 -0.2700 -0.2292 -0.2212 -0.1721 0.4642 0.4712 0.6214 0.6362 0.8180 0.8372 0.9033 0.9033 1.1407 1.1542 1.2786 1.2812 1.4199 1.4214 1.7387 1.7470 5.4002 5.4135 5.7380 5.7605 6.7357 6.7662 6.9420 6.9504 7.5918 7.6381 7.7200 7.7806 8.8406 8.8542 k = 0.3462 0.7529 0.3010 ( 8166 PWs) bands (ev): -17.4668 -17.4668 -17.4652 -17.4652 -12.4211 -12.4211 -12.3884 -12.3883 -11.8177 -11.8177 -11.8094 -11.8094 -6.7505 -6.7503 -6.6946 -6.6944 -5.1156 -5.1030 -5.0829 -5.0705 -4.9408 -4.9340 -4.9250 -4.9208 -4.6685 -4.6655 -4.6088 -4.6084 -2.4775 -2.4656 -2.3991 -2.3882 -2.2426 -2.2263 -2.2098 -2.1781 -1.2995 -1.2538 -1.2086 -1.1656 -1.0450 -0.9964 -0.9890 -0.9336 -0.8788 -0.8510 -0.8329 -0.7661 -0.2699 -0.2281 -0.2267 -0.1769 0.4724 0.4799 0.6146 0.6292 0.8259 0.8434 0.9040 0.9043 1.1458 1.1585 1.2716 1.2734 1.4341 1.4363 1.7205 1.7291 5.3983 5.4124 5.7046 5.7269 6.7572 6.7878 6.9398 6.9510 7.6025 7.6520 7.7217 7.7838 8.8388 8.8520 k = 0.3654 0.7529 0.3010 ( 8164 PWs) bands (ev): -17.4667 -17.4667 -17.4653 -17.4653 -12.4191 -12.4191 -12.3903 -12.3902 -11.8173 -11.8173 -11.8099 -11.8099 -6.7474 -6.7472 -6.6980 -6.6979 -5.1149 -5.1019 -5.0860 -5.0733 -4.9433 -4.9369 -4.9273 -4.9233 -4.6634 -4.6606 -4.6110 -4.6106 -2.4719 -2.4598 -2.4021 -2.3907 -2.2384 -2.2206 -2.2100 -2.1781 -1.2936 -1.2474 -1.2127 -1.1680 -1.0425 -1.0013 -0.9852 -0.9363 -0.8776 -0.8469 -0.8364 -0.7707 -0.2696 -0.2319 -0.2268 -0.1817 0.4809 0.4889 0.6072 0.6215 0.8340 0.8498 0.9041 0.9048 1.1515 1.1633 1.2642 1.2654 1.4491 1.4519 1.7020 1.7107 5.3995 5.4143 5.6722 5.6941 6.7770 6.8077 6.9364 6.9502 7.6133 7.6657 7.7217 7.7852 8.8374 8.8501 k = 0.3846 0.7529 0.3010 ( 8164 PWs) bands (ev): -17.4666 -17.4666 -17.4654 -17.4654 -12.4171 -12.4171 -12.3922 -12.3921 -11.8168 -11.8168 -11.8104 -11.8104 -6.7442 -6.7440 -6.7016 -6.7014 -5.1139 -5.1007 -5.0890 -5.0760 -4.9453 -4.9395 -4.9293 -4.9255 -4.6584 -4.6559 -4.6134 -4.6130 -2.4663 -2.4540 -2.4054 -2.3936 -2.2344 -2.2151 -2.2103 -2.1785 -1.2875 -1.2409 -1.2171 -1.1709 -1.0401 -1.0059 -0.9814 -0.9393 -0.8760 -0.8423 -0.8399 -0.7756 -0.2690 -0.2369 -0.2253 -0.1863 0.4896 0.4981 0.5993 0.6132 0.8421 0.8561 0.9035 0.9046 1.1578 1.1686 1.2566 1.2571 1.4646 1.4681 1.6831 1.6919 5.4035 5.4190 5.6408 5.6624 6.7955 6.8261 6.9317 6.9480 7.6241 7.6793 7.7203 7.7848 8.8364 8.8487 k = 0.4038 0.7529 0.3010 ( 8172 PWs) bands (ev): -17.4665 -17.4665 -17.4655 -17.4655 -12.4151 -12.4150 -12.3941 -12.3940 -11.8163 -11.8163 -11.8110 -11.8110 -6.7409 -6.7407 -6.7052 -6.7050 -5.1128 -5.0993 -5.0920 -5.0786 -4.9470 -4.9419 -4.9310 -4.9276 -4.6536 -4.6513 -4.6161 -4.6155 -2.4605 -2.4481 -2.4091 -2.3970 -2.2308 -2.2108 -2.2100 -2.1792 -1.2813 -1.2342 -1.2218 -1.1744 -1.0379 -1.0101 -0.9777 -0.9425 -0.8741 -0.8434 -0.8373 -0.7807 -0.2681 -0.2415 -0.2235 -0.1909 0.4985 0.5076 0.5910 0.6045 0.8501 0.8624 0.9022 0.9038 1.1647 1.1744 1.2486 1.2488 1.4808 1.4849 1.6641 1.6728 5.4104 5.4266 5.6107 5.6319 6.8126 6.8430 6.9259 6.9445 7.6349 7.6926 7.7173 7.7827 8.8361 8.8479 k = 0.4231 0.7529 0.3010 ( 8176 PWs) bands (ev): -17.4664 -17.4664 -17.4656 -17.4656 -12.4130 -12.4129 -12.3961 -12.3960 -11.8158 -11.8158 -11.8115 -11.8115 -6.7376 -6.7374 -6.7088 -6.7086 -5.1115 -5.0978 -5.0948 -5.0812 -4.9483 -4.9440 -4.9322 -4.9294 -4.6490 -4.6469 -4.6189 -4.6183 -2.4547 -2.4422 -2.4131 -2.4008 -2.2274 -2.2115 -2.2052 -2.1804 -1.2749 -1.2273 -1.2268 -1.1785 -1.0357 -1.0141 -0.9741 -0.9459 -0.8718 -0.8469 -0.8320 -0.7861 -0.2670 -0.2457 -0.2215 -0.1953 0.5077 0.5173 0.5823 0.5955 0.8579 0.8685 0.9002 0.9022 1.1720 1.1806 1.2399 1.2409 1.4975 1.5023 1.6449 1.6535 5.4201 5.4369 5.5820 5.6027 6.8285 6.8585 6.9190 6.9397 7.6456 7.7055 7.7131 7.7790 8.8364 8.8477 k = 0.4423 0.7529 0.3010 ( 8168 PWs) bands (ev): -17.4663 -17.4663 -17.4657 -17.4656 -12.4108 -12.4108 -12.3982 -12.3981 -11.8153 -11.8153 -11.8121 -11.8120 -6.7341 -6.7339 -6.7124 -6.7122 -5.1100 -5.0974 -5.0962 -5.0837 -4.9491 -4.9458 -4.9331 -4.9309 -4.6445 -4.6427 -4.6220 -4.6212 -2.4490 -2.4363 -2.4174 -2.4049 -2.2243 -2.2124 -2.2007 -2.1821 -1.2685 -1.2321 -1.2205 -1.1833 -1.0335 -1.0176 -0.9705 -0.9493 -0.8692 -0.8503 -0.8265 -0.7917 -0.2655 -0.2496 -0.2193 -0.1995 0.5170 0.5271 0.5733 0.5861 0.8653 0.8744 0.8973 0.9000 1.1797 1.1872 1.2311 1.2329 1.5147 1.5202 1.6258 1.6341 5.4324 5.4498 5.5548 5.5751 6.8433 6.8728 6.9111 6.9336 7.6561 7.7076 7.7178 7.7737 8.8374 8.8483 k = 0.4615 0.7529 0.3010 ( 8168 PWs) bands (ev): -17.4662 -17.4662 -17.4658 -17.4657 -12.4087 -12.4087 -12.4002 -12.4002 -11.8148 -11.8148 -11.8126 -11.8126 -6.7306 -6.7304 -6.7161 -6.7159 -5.1084 -5.1000 -5.0944 -5.0861 -4.9496 -4.9473 -4.9336 -4.9321 -4.6403 -4.6387 -4.6252 -4.6243 -2.4433 -2.4306 -2.4221 -2.4095 -2.2215 -2.2136 -2.1966 -2.1841 -1.2621 -1.2377 -1.2137 -1.1886 -1.0312 -1.0209 -0.9669 -0.9528 -0.8665 -0.8537 -0.8208 -0.7975 -0.2637 -0.2532 -0.2167 -0.2035 0.5264 0.5370 0.5641 0.5765 0.8722 0.8799 0.8938 0.8972 1.1878 1.1943 1.2223 1.2249 1.5324 1.5385 1.6066 1.6147 5.4472 5.4652 5.5293 5.5492 6.8570 6.8858 6.9022 6.9263 7.6662 7.7010 7.7294 7.7671 8.8393 8.8498 k = 0.4808 0.7529 0.3010 ( 8162 PWs) bands (ev): -17.4661 -17.4660 -17.4659 -17.4658 -12.4066 -12.4065 -12.4023 -12.4023 -11.8142 -11.8142 -11.8131 -11.8131 -6.7270 -6.7268 -6.7197 -6.7195 -5.1065 -5.1023 -5.0925 -5.0883 -4.9496 -4.9485 -4.9338 -4.9330 -4.6362 -4.6348 -4.6287 -4.6276 -2.4377 -2.4271 -2.4250 -2.4144 -2.2191 -2.2152 -2.1928 -2.1866 -1.2557 -1.2435 -1.2070 -1.1943 -1.0289 -1.0238 -0.9634 -0.9563 -0.8635 -0.8571 -0.8150 -0.8033 -0.2616 -0.2563 -0.2139 -0.2072 0.5359 0.5469 0.5548 0.5667 0.8786 0.8850 0.8894 0.8937 1.1962 1.2016 1.2135 1.2170 1.5505 1.5572 1.5877 1.5953 5.4645 5.4829 5.5056 5.5251 6.8698 6.8923 6.8976 6.9179 7.6759 7.6934 7.7403 7.7593 8.8421 8.8514 k = 0.5000 0.7529 0.3010 ( 8160 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4045 -12.4045 -12.4044 -12.4044 -11.8137 -11.8137 -11.8137 -11.8137 -6.7234 -6.7234 -6.7232 -6.7232 -5.1045 -5.1045 -5.0905 -5.0905 -4.9492 -4.9492 -4.9336 -4.9336 -4.6323 -4.6323 -4.6311 -4.6311 -2.4323 -2.4323 -2.4195 -2.4195 -2.2170 -2.2170 -2.1895 -2.1895 -1.2495 -1.2495 -1.2005 -1.2005 -1.0265 -1.0265 -0.9599 -0.9599 -0.8604 -0.8604 -0.8092 -0.8092 -0.2591 -0.2591 -0.2107 -0.2107 0.5453 0.5453 0.5569 0.5569 0.8843 0.8843 0.8896 0.8896 1.2048 1.2048 1.2092 1.2092 1.5690 1.5690 1.5761 1.5761 5.4840 5.4840 5.5029 5.5029 6.8815 6.8815 6.9083 6.9083 7.6850 7.6850 7.7503 7.7503 8.8460 8.8461 k = 0.5000 0.7529 0.3010 ( 8160 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4045 -12.4045 -12.4044 -12.4044 -11.8137 -11.8137 -11.8137 -11.8137 -6.7234 -6.7234 -6.7232 -6.7232 -5.1045 -5.1045 -5.0905 -5.0905 -4.9492 -4.9492 -4.9336 -4.9336 -4.6323 -4.6323 -4.6311 -4.6311 -2.4323 -2.4323 -2.4195 -2.4195 -2.2170 -2.2170 -2.1895 -2.1895 -1.2495 -1.2495 -1.2005 -1.2005 -1.0265 -1.0265 -0.9599 -0.9599 -0.8604 -0.8604 -0.8092 -0.8092 -0.2591 -0.2591 -0.2107 -0.2107 0.5453 0.5453 0.5569 0.5569 0.8843 0.8843 0.8896 0.8896 1.2048 1.2048 1.2092 1.2092 1.5690 1.5690 1.5761 1.5761 5.4840 5.4840 5.5029 5.5029 6.8815 6.8815 6.9083 6.9083 7.6850 7.6850 7.7503 7.7503 8.8460 8.8461 k = 0.5000 0.7586 0.2867 ( 8164 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4045 -12.4045 -12.4044 -12.4044 -11.8137 -11.8137 -11.8137 -11.8137 -6.7235 -6.7235 -6.7233 -6.7233 -5.1043 -5.1043 -5.0902 -5.0902 -4.9492 -4.9492 -4.9335 -4.9335 -4.6326 -4.6326 -4.6311 -4.6311 -2.4321 -2.4321 -2.4192 -2.4192 -2.2170 -2.2170 -2.1896 -2.1896 -1.2497 -1.2497 -1.2004 -1.2004 -1.0267 -1.0267 -0.9601 -0.9601 -0.8608 -0.8608 -0.8092 -0.8092 -0.2592 -0.2592 -0.2107 -0.2107 0.5448 0.5448 0.5576 0.5576 0.8843 0.8843 0.8899 0.8899 1.2036 1.2036 1.2108 1.2108 1.5687 1.5687 1.5763 1.5763 5.4839 5.4839 5.5030 5.5030 6.8814 6.8814 6.9082 6.9082 7.6852 7.6852 7.7504 7.7504 8.8463 8.8463 k = 0.5000 0.7643 0.2724 ( 8162 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4045 -12.4045 -12.4044 -12.4044 -11.8137 -11.8137 -11.8136 -11.8136 -6.7238 -6.7238 -6.7236 -6.7236 -5.1036 -5.1036 -5.0894 -5.0894 -4.9490 -4.9490 -4.9332 -4.9332 -4.6333 -4.6333 -4.6312 -4.6312 -2.4314 -2.4314 -2.4182 -2.4182 -2.2172 -2.2172 -2.1897 -2.1897 -1.2503 -1.2503 -1.2002 -1.2002 -1.0272 -1.0272 -0.9610 -0.9610 -0.8621 -0.8621 -0.8095 -0.8095 -0.2594 -0.2594 -0.2108 -0.2108 0.5435 0.5435 0.5595 0.5595 0.8842 0.8842 0.8907 0.8907 1.2016 1.2016 1.2139 1.2139 1.5681 1.5681 1.5768 1.5768 5.4838 5.4838 5.5034 5.5034 6.8809 6.8809 6.9077 6.9077 7.6857 7.6857 7.7507 7.7507 8.8471 8.8471 k = 0.5000 0.7700 0.2582 ( 8158 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4046 -12.4046 -12.4045 -12.4045 -11.8137 -11.8137 -11.8135 -11.8135 -6.7244 -6.7244 -6.7242 -6.7242 -5.1024 -5.1024 -5.0880 -5.0880 -4.9487 -4.9487 -4.9327 -4.9327 -4.6343 -4.6343 -4.6314 -4.6314 -2.4304 -2.4304 -2.4166 -2.4166 -2.2176 -2.2176 -2.1900 -2.1900 -1.2513 -1.2513 -1.1999 -1.1999 -1.0282 -1.0282 -0.9625 -0.9625 -0.8643 -0.8643 -0.8100 -0.8100 -0.2598 -0.2598 -0.2110 -0.2110 0.5419 0.5419 0.5621 0.5621 0.8841 0.8841 0.8920 0.8920 1.1999 1.1999 1.2176 1.2176 1.5672 1.5672 1.5776 1.5776 5.4835 5.4835 5.5039 5.5039 6.8801 6.8801 6.9070 6.9070 7.6865 7.6865 7.7512 7.7512 8.8490 8.8490 k = 0.5000 0.7700 0.2582 ( 8158 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4046 -12.4046 -12.4045 -12.4045 -11.8137 -11.8137 -11.8135 -11.8135 -6.7244 -6.7244 -6.7242 -6.7242 -5.1024 -5.1024 -5.0880 -5.0880 -4.9487 -4.9487 -4.9327 -4.9327 -4.6343 -4.6343 -4.6314 -4.6314 -2.4304 -2.4304 -2.4166 -2.4166 -2.2176 -2.2176 -2.1900 -2.1900 -1.2513 -1.2513 -1.1999 -1.1999 -1.0282 -1.0282 -0.9625 -0.9625 -0.8643 -0.8643 -0.8100 -0.8100 -0.2598 -0.2598 -0.2110 -0.2110 0.5419 0.5419 0.5621 0.5621 0.8841 0.8841 0.8920 0.8920 1.1999 1.1999 1.2176 1.2176 1.5672 1.5672 1.5776 1.5776 5.4835 5.4835 5.5039 5.5039 6.8801 6.8801 6.9070 6.9070 7.6865 7.6865 7.7512 7.7512 8.8490 8.8491 k = 0.5000 0.7689 0.2394 ( 8154 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4048 -12.4048 -12.4047 -12.4047 -11.8134 -11.8134 -11.8132 -11.8132 -6.7260 -6.7260 -6.7258 -6.7258 -5.1002 -5.1002 -5.0853 -5.0853 -4.9480 -4.9480 -4.9317 -4.9317 -4.6360 -4.6360 -4.6321 -4.6321 -2.4280 -2.4280 -2.4136 -2.4136 -2.2182 -2.2182 -2.1904 -2.1904 -1.2534 -1.2534 -1.1991 -1.1991 -1.0303 -1.0303 -0.9658 -0.9658 -0.8690 -0.8690 -0.8118 -0.8118 -0.2599 -0.2599 -0.2122 -0.2122 0.5438 0.5438 0.5628 0.5628 0.8854 0.8854 0.8932 0.8932 1.2025 1.2025 1.2197 1.2197 1.5679 1.5679 1.5774 1.5774 5.4825 5.4825 5.5026 5.5026 6.8784 6.8784 6.9054 6.9054 7.6898 7.6898 7.7540 7.7540 8.8526 8.8526 k = 0.5000 0.7679 0.2206 ( 8158 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4051 -12.4051 -12.4050 -12.4050 -11.8129 -11.8129 -11.8128 -11.8128 -6.7283 -6.7283 -6.7281 -6.7281 -5.0970 -5.0970 -5.0816 -5.0816 -4.9469 -4.9469 -4.9302 -4.9302 -4.6380 -4.6380 -4.6331 -4.6331 -2.4247 -2.4247 -2.4096 -2.4096 -2.2190 -2.2190 -2.1910 -2.1910 -1.2562 -1.2562 -1.1984 -1.1984 -1.0332 -1.0332 -0.9702 -0.9702 -0.8751 -0.8751 -0.8146 -0.8146 -0.2601 -0.2601 -0.2137 -0.2137 0.5459 0.5459 0.5641 0.5641 0.8869 0.8869 0.8951 0.8951 1.2059 1.2059 1.2227 1.2227 1.5684 1.5684 1.5775 1.5775 5.4812 5.4812 5.5009 5.5009 6.8762 6.8762 6.9031 6.9031 7.6950 7.6950 7.7584 7.7584 8.8583 8.8583 k = 0.5000 0.7668 0.2018 ( 8146 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4054 -12.4054 -12.4053 -12.4053 -11.8123 -11.8123 -11.8122 -11.8122 -6.7311 -6.7311 -6.7309 -6.7309 -5.0931 -5.0931 -5.0771 -5.0771 -4.9454 -4.9454 -4.9281 -4.9281 -4.6404 -4.6404 -4.6345 -4.6345 -2.4207 -2.4207 -2.4048 -2.4048 -2.2200 -2.2200 -2.1916 -2.1916 -1.2593 -1.2593 -1.1979 -1.1979 -1.0368 -1.0368 -0.9754 -0.9754 -0.8823 -0.8823 -0.8186 -0.8186 -0.2606 -0.2606 -0.2155 -0.2155 0.5483 0.5483 0.5658 0.5658 0.8886 0.8886 0.8975 0.8975 1.2100 1.2100 1.2264 1.2264 1.5689 1.5689 1.5779 1.5779 5.4794 5.4794 5.4989 5.4989 6.8733 6.8733 6.9001 6.9001 7.7022 7.7022 7.7646 7.7646 8.8661 8.8661 k = 0.5000 0.7657 0.1830 ( 8140 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4059 -12.4059 -12.4058 -12.4058 -11.8116 -11.8116 -11.8115 -11.8115 -6.7345 -6.7345 -6.7343 -6.7343 -5.0886 -5.0886 -5.0719 -5.0719 -4.9434 -4.9434 -4.9256 -4.9256 -4.6431 -4.6431 -4.6363 -4.6363 -2.4160 -2.4160 -2.3993 -2.3993 -2.2211 -2.2211 -2.1924 -2.1924 -1.2626 -1.2626 -1.1977 -1.1977 -1.0409 -1.0409 -0.9814 -0.9814 -0.8903 -0.8903 -0.8237 -0.8237 -0.2611 -0.2611 -0.2175 -0.2175 0.5509 0.5509 0.5678 0.5678 0.8906 0.8906 0.9003 0.9003 1.2147 1.2147 1.2308 1.2308 1.5692 1.5692 1.5785 1.5785 5.4774 5.4774 5.4966 5.4966 6.8699 6.8699 6.8963 6.8963 7.7114 7.7114 7.7726 7.7726 8.8757 8.8757 k = 0.5000 0.7647 0.1641 ( 8140 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4064 -12.4064 -12.4063 -12.4063 -11.8108 -11.8108 -11.8107 -11.8107 -6.7383 -6.7383 -6.7380 -6.7380 -5.0838 -5.0838 -5.0664 -5.0664 -4.9409 -4.9409 -4.9225 -4.9225 -4.6460 -4.6460 -4.6385 -4.6385 -2.4106 -2.4106 -2.3932 -2.3932 -2.2224 -2.2224 -2.1933 -2.1933 -1.2659 -1.2659 -1.1982 -1.1982 -1.0454 -1.0454 -0.9877 -0.9877 -0.8987 -0.8987 -0.8299 -0.8299 -0.2617 -0.2617 -0.2196 -0.2196 0.5535 0.5535 0.5702 0.5702 0.8929 0.8929 0.9032 0.9032 1.2198 1.2198 1.2358 1.2358 1.5695 1.5695 1.5793 1.5793 5.4751 5.4751 5.4941 5.4941 6.8660 6.8660 6.8918 6.8918 7.7228 7.7228 7.7823 7.7823 8.8868 8.8868 k = 0.5000 0.7636 0.1453 ( 8142 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4069 -12.4069 -12.4068 -12.4068 -11.8100 -11.8100 -11.8099 -11.8099 -6.7423 -6.7423 -6.7420 -6.7420 -5.0788 -5.0788 -5.0608 -5.0608 -4.9379 -4.9379 -4.9189 -4.9189 -4.6491 -4.6491 -4.6411 -4.6411 -2.4047 -2.4047 -2.3866 -2.3866 -2.2238 -2.2238 -2.1944 -2.1944 -1.2689 -1.2689 -1.1995 -1.1995 -1.0501 -1.0501 -0.9942 -0.9942 -0.9073 -0.9073 -0.8372 -0.8372 -0.2624 -0.2624 -0.2218 -0.2218 0.5562 0.5562 0.5727 0.5727 0.8954 0.8954 0.9063 0.9063 1.2254 1.2254 1.2411 1.2411 1.5698 1.5698 1.5801 1.5801 5.4727 5.4727 5.4914 5.4914 6.8616 6.8616 6.8865 6.8865 7.7362 7.7362 7.7935 7.7935 8.8992 8.8992 k = 0.5000 0.7625 0.1265 ( 8154 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4075 -12.4075 -12.4074 -12.4074 -11.8091 -11.8091 -11.8090 -11.8090 -6.7464 -6.7464 -6.7461 -6.7461 -5.0737 -5.0737 -5.0553 -5.0553 -4.9344 -4.9344 -4.9148 -4.9148 -4.6523 -4.6523 -4.6440 -4.6440 -2.3985 -2.3985 -2.3798 -2.3798 -2.2253 -2.2253 -2.1957 -2.1957 -1.2715 -1.2715 -1.2015 -1.2015 -1.0548 -1.0548 -1.0004 -1.0004 -0.9157 -0.9157 -0.8454 -0.8454 -0.2630 -0.2630 -0.2241 -0.2241 0.5589 0.5589 0.5753 0.5753 0.8979 0.8979 0.9093 0.9093 1.2313 1.2313 1.2466 1.2466 1.5702 1.5702 1.5810 1.5810 5.4702 5.4702 5.4886 5.4886 6.8569 6.8569 6.8806 6.8806 7.7514 7.7514 7.8062 7.8062 8.9126 8.9126 k = 0.5000 0.7615 0.1077 ( 8162 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4080 -12.4080 -12.4080 -12.4080 -11.8082 -11.8082 -11.8081 -11.8081 -6.7505 -6.7505 -6.7503 -6.7503 -5.0689 -5.0689 -5.0501 -5.0501 -4.9305 -4.9305 -4.9104 -4.9104 -4.6556 -4.6556 -4.6471 -4.6471 -2.3920 -2.3920 -2.3730 -2.3730 -2.2269 -2.2269 -2.1972 -2.1972 -1.2736 -1.2736 -1.2045 -1.2045 -1.0595 -1.0595 -1.0061 -1.0061 -0.9236 -0.9236 -0.8543 -0.8543 -0.2637 -0.2637 -0.2263 -0.2263 0.5614 0.5614 0.5779 0.5779 0.9006 0.9006 0.9122 0.9122 1.2372 1.2372 1.2521 1.2521 1.5705 1.5705 1.5817 1.5817 5.4676 5.4676 5.4857 5.4857 6.8521 6.8521 6.8743 6.8743 7.7681 7.7681 7.8197 7.8197 8.9266 8.9266 k = 0.5000 0.7604 0.0889 ( 8158 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4086 -12.4086 -12.4085 -12.4085 -11.8074 -11.8074 -11.8073 -11.8073 -6.7545 -6.7545 -6.7543 -6.7543 -5.0644 -5.0644 -5.0454 -5.0454 -4.9262 -4.9262 -4.9056 -4.9056 -4.6588 -4.6588 -4.6503 -4.6503 -2.3855 -2.3855 -2.3662 -2.3662 -2.2284 -2.2284 -2.1988 -2.1988 -1.2751 -1.2751 -1.2083 -1.2083 -1.0641 -1.0641 -1.0111 -1.0111 -0.9307 -0.9307 -0.8638 -0.8638 -0.2642 -0.2642 -0.2285 -0.2285 0.5638 0.5638 0.5804 0.5804 0.9031 0.9031 0.9149 0.9149 1.2430 1.2430 1.2575 1.2575 1.5710 1.5710 1.5824 1.5824 5.4651 5.4651 5.4830 5.4830 6.8474 6.8474 6.8677 6.8677 7.7857 7.7857 7.8337 7.8337 8.9408 8.9408 k = 0.5000 0.7593 0.0701 ( 8156 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4091 -12.4091 -12.4091 -12.4091 -11.8066 -11.8066 -11.8065 -11.8065 -6.7582 -6.7582 -6.7580 -6.7580 -5.0603 -5.0603 -5.0413 -5.0413 -4.9217 -4.9217 -4.9008 -4.9008 -4.6618 -4.6618 -4.6537 -4.6537 -2.3791 -2.3791 -2.3598 -2.3598 -2.2300 -2.2300 -2.2005 -2.2005 -1.2759 -1.2759 -1.2128 -1.2128 -1.0684 -1.0684 -1.0153 -1.0153 -0.9366 -0.9366 -0.8735 -0.8735 -0.2648 -0.2648 -0.2306 -0.2306 0.5660 0.5660 0.5827 0.5827 0.9056 0.9056 0.9173 0.9173 1.2487 1.2487 1.2624 1.2624 1.5715 1.5715 1.5829 1.5829 5.4627 5.4627 5.4803 5.4803 6.8429 6.8429 6.8610 6.8610 7.8037 7.8037 7.8476 7.8476 8.9550 8.9550 k = 0.5000 0.7583 0.0513 ( 8166 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4096 -12.4096 -12.4096 -12.4096 -11.8058 -11.8058 -11.8058 -11.8058 -6.7616 -6.7616 -6.7614 -6.7614 -5.0568 -5.0568 -5.0379 -5.0379 -4.9172 -4.9172 -4.8961 -4.8961 -4.6645 -4.6645 -4.6570 -4.6570 -2.3731 -2.3731 -2.3540 -2.3540 -2.2315 -2.2315 -2.2023 -2.2023 -1.2759 -1.2759 -1.2178 -1.2178 -1.0724 -1.0724 -1.0186 -1.0186 -0.9410 -0.9410 -0.8833 -0.8833 -0.2652 -0.2652 -0.2325 -0.2325 0.5679 0.5679 0.5847 0.5847 0.9079 0.9079 0.9194 0.9194 1.2539 1.2539 1.2669 1.2669 1.5721 1.5721 1.5833 1.5833 5.4606 5.4606 5.4779 5.4779 6.8388 6.8388 6.8546 6.8546 7.8211 7.8211 7.8607 7.8607 8.9687 8.9687 k = 0.5000 0.7572 0.0325 ( 8164 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4100 -12.4100 -12.4100 -12.4100 -11.8052 -11.8052 -11.8051 -11.8051 -6.7645 -6.7645 -6.7643 -6.7643 -5.0539 -5.0539 -5.0352 -5.0352 -4.9131 -4.9131 -4.8917 -4.8917 -4.6669 -4.6669 -4.6601 -4.6601 -2.3677 -2.3677 -2.3490 -2.3490 -2.2328 -2.2328 -2.2041 -2.2041 -1.2753 -1.2753 -1.2230 -1.2230 -1.0759 -1.0759 -1.0213 -1.0213 -0.9436 -0.9436 -0.8929 -0.8929 -0.2656 -0.2656 -0.2341 -0.2341 0.5696 0.5696 0.5865 0.5865 0.9099 0.9099 0.9212 0.9212 1.2585 1.2585 1.2706 1.2706 1.5726 1.5726 1.5835 1.5835 5.4587 5.4587 5.4758 5.4758 6.8354 6.8354 6.8488 6.8488 7.8373 7.8373 7.8723 7.8723 8.9815 8.9815 k = 0.5000 0.7561 0.0137 ( 8164 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4103 -12.4103 -12.4103 -12.4103 -11.8047 -11.8047 -11.8046 -11.8046 -6.7669 -6.7669 -6.7667 -6.7667 -5.0517 -5.0517 -5.0331 -5.0331 -4.9095 -4.9095 -4.8880 -4.8880 -4.6688 -4.6688 -4.6628 -4.6628 -2.3631 -2.3631 -2.3449 -2.3449 -2.2338 -2.2338 -2.2057 -2.2057 -1.2741 -1.2741 -1.2280 -1.2280 -1.0788 -1.0788 -1.0233 -1.0233 -0.9446 -0.9446 -0.9018 -0.9018 -0.2658 -0.2658 -0.2354 -0.2354 0.5709 0.5709 0.5879 0.5879 0.9115 0.9115 0.9226 0.9226 1.2623 1.2623 1.2736 1.2736 1.5732 1.5732 1.5837 1.5837 5.4572 5.4572 5.4741 5.4741 6.8329 6.8329 6.8437 6.8437 7.8513 7.8513 7.8819 7.8819 8.9929 8.9929 k = 0.5000 0.7551-0.0051 ( 8164 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4106 -12.4106 -12.4106 -12.4106 -11.8043 -11.8043 -11.8042 -11.8042 -6.7686 -6.7686 -6.7684 -6.7684 -5.0500 -5.0500 -5.0316 -5.0316 -4.9068 -4.9068 -4.8851 -4.8851 -4.6701 -4.6701 -4.6651 -4.6651 -2.3595 -2.3595 -2.3419 -2.3419 -2.2346 -2.2346 -2.2070 -2.2070 -1.2727 -1.2727 -1.2324 -1.2324 -1.0809 -1.0809 -1.0248 -1.0248 -0.9440 -0.9440 -0.9096 -0.9096 -0.2660 -0.2660 -0.2364 -0.2364 0.5718 0.5718 0.5889 0.5889 0.9127 0.9127 0.9236 0.9236 1.2652 1.2652 1.2758 1.2758 1.5736 1.5736 1.5837 1.5837 5.4561 5.4561 5.4729 5.4729 6.8312 6.8312 6.8396 6.8396 7.8623 7.8623 7.8888 7.8888 9.0021 9.0021 k = 0.5000 0.7540-0.0239 ( 8162 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4107 -12.4107 -12.4107 -12.4107 -11.8041 -11.8041 -11.8040 -11.8040 -6.7696 -6.7696 -6.7695 -6.7695 -5.0491 -5.0491 -5.0308 -5.0308 -4.9051 -4.9051 -4.8833 -4.8833 -4.6708 -4.6708 -4.6666 -4.6666 -2.3573 -2.3573 -2.3400 -2.3400 -2.2351 -2.2351 -2.2079 -2.2079 -1.2714 -1.2714 -1.2355 -1.2355 -1.0821 -1.0821 -1.0257 -1.0257 -0.9427 -0.9427 -0.9153 -0.9153 -0.2661 -0.2661 -0.2370 -0.2370 0.5724 0.5724 0.5895 0.5895 0.9134 0.9134 0.9242 0.9242 1.2670 1.2670 1.2771 1.2771 1.5739 1.5739 1.5837 1.5837 5.4554 5.4554 5.4721 5.4721 6.8304 6.8304 6.8369 6.8369 7.8693 7.8693 7.8930 7.8930 9.0082 9.0082 k = 0.5000 0.7529-0.0428 ( 8168 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4108 -12.4108 -12.4108 -12.4108 -11.8040 -11.8040 -11.8039 -11.8039 -6.7700 -6.7700 -6.7698 -6.7698 -5.0487 -5.0487 -5.0305 -5.0305 -4.9045 -4.9045 -4.8827 -4.8827 -4.6710 -4.6710 -4.6671 -4.6671 -2.3565 -2.3565 -2.3394 -2.3394 -2.2352 -2.2352 -2.2082 -2.2082 -1.2709 -1.2709 -1.2366 -1.2366 -1.0826 -1.0826 -1.0260 -1.0260 -0.9419 -0.9419 -0.9175 -0.9175 -0.2661 -0.2661 -0.2372 -0.2372 0.5726 0.5726 0.5897 0.5897 0.9137 0.9137 0.9244 0.9244 1.2676 1.2676 1.2775 1.2775 1.5740 1.5740 1.5837 1.5837 5.4552 5.4552 5.4718 5.4718 6.8302 6.8302 6.8358 6.8358 7.8717 7.8717 7.8944 7.8944 9.0103 9.0103 k = 0.5000 0.7529-0.0428 ( 8168 PWs) bands (ev): -17.4660 -17.4660 -17.4659 -17.4659 -12.4108 -12.4108 -12.4108 -12.4108 -11.8040 -11.8040 -11.8039 -11.8039 -6.7700 -6.7700 -6.7698 -6.7698 -5.0487 -5.0487 -5.0305 -5.0305 -4.9045 -4.9045 -4.8827 -4.8827 -4.6710 -4.6710 -4.6671 -4.6671 -2.3565 -2.3565 -2.3394 -2.3394 -2.2352 -2.2352 -2.2082 -2.2082 -1.2709 -1.2709 -1.2366 -1.2366 -1.0826 -1.0826 -1.0260 -1.0260 -0.9419 -0.9419 -0.9175 -0.9175 -0.2661 -0.2661 -0.2372 -0.2372 0.5726 0.5726 0.5897 0.5897 0.9137 0.9137 0.9244 0.9244 1.2676 1.2676 1.2775 1.2775 1.5740 1.5740 1.5837 1.5837 5.4552 5.4552 5.4718 5.4718 6.8302 6.8302 6.8358 6.8358 7.8717 7.8717 7.8944 7.8944 9.0103 9.0103 k = 0.4808 0.7529-0.0428 ( 8170 PWs) bands (ev): -17.4662 -17.4662 -17.4658 -17.4657 -12.4126 -12.4126 -12.4090 -12.4090 -11.8042 -11.8042 -11.8037 -11.8037 -6.7737 -6.7736 -6.7662 -6.7661 -5.0490 -5.0482 -5.0308 -5.0300 -4.9050 -4.9040 -4.8838 -4.8816 -4.6762 -4.6719 -4.6657 -4.6621 -2.3682 -2.3529 -2.3456 -2.3266 -2.2392 -2.2310 -2.2130 -2.2030 -1.2746 -1.2676 -1.2401 -1.2337 -1.0867 -1.0784 -1.0301 -1.0222 -0.9436 -0.9401 -0.9202 -0.9146 -0.2693 -0.2626 -0.2406 -0.2334 0.5629 0.5791 0.5824 0.6003 0.9103 0.9164 0.9221 0.9262 1.2627 1.2724 1.2729 1.2821 1.5571 1.5662 1.5915 1.6018 5.4382 5.4543 5.4741 5.4913 6.8223 6.8263 6.8364 6.8437 7.8613 7.8826 7.8828 7.9063 9.0050 9.0152 k = 0.4615 0.7529-0.0428 ( 8170 PWs) bands (ev): -17.4664 -17.4664 -17.4655 -17.4655 -12.4144 -12.4144 -12.4072 -12.4072 -11.8045 -11.8044 -11.8035 -11.8034 -6.7774 -6.7772 -6.7624 -6.7623 -5.0490 -5.0475 -5.0308 -5.0293 -4.9055 -4.9037 -4.8849 -4.8806 -4.6813 -4.6766 -4.6602 -4.6570 -2.3805 -2.3668 -2.3357 -2.3148 -2.2430 -2.2263 -2.2175 -2.1974 -1.2787 -1.2646 -1.2440 -1.2312 -1.0907 -1.0741 -1.0343 -1.0185 -0.9453 -0.9383 -0.9229 -0.9116 -0.2722 -0.2588 -0.2438 -0.2294 0.5532 0.5685 0.5921 0.6109 0.9062 0.9184 0.9193 0.9274 1.2577 1.2682 1.2769 1.2865 1.5410 1.5494 1.6095 1.6204 5.4233 5.4388 5.4948 5.5125 6.8127 6.8151 6.8410 6.8501 7.8515 7.8716 7.8939 7.9186 8.9994 9.0197 k = 0.4423 0.7529-0.0428 ( 8164 PWs) bands (ev): -17.4667 -17.4666 -17.4653 -17.4653 -12.4162 -12.4162 -12.4055 -12.4054 -11.8047 -11.8046 -11.8032 -11.8031 -6.7810 -6.7808 -6.7586 -6.7584 -5.0487 -5.0465 -5.0305 -5.0283 -4.9060 -4.9034 -4.8860 -4.8797 -4.6862 -4.6810 -4.6546 -4.6518 -2.3933 -2.3809 -2.3269 -2.3041 -2.2467 -2.2218 -2.2210 -2.1913 -1.2831 -1.2620 -1.2483 -1.2292 -1.0945 -1.0698 -1.0387 -1.0152 -0.9469 -0.9364 -0.9253 -0.9085 -0.2748 -0.2547 -0.2467 -0.2251 0.5436 0.5580 0.6019 0.6215 0.9015 0.9160 0.9197 0.9280 1.2527 1.2636 1.2812 1.2908 1.5255 1.5333 1.6281 1.6395 5.4105 5.4255 5.5172 5.5355 6.8012 6.8022 6.8439 6.8549 7.8421 7.8608 7.9054 7.9310 8.9937 9.0236 k = 0.4231 0.7529-0.0428 ( 8164 PWs) bands (ev): -17.4669 -17.4669 -17.4651 -17.4651 -12.4181 -12.4180 -12.4037 -12.4037 -11.8050 -11.8049 -11.8029 -11.8028 -6.7845 -6.7843 -6.7548 -6.7546 -5.0482 -5.0452 -5.0301 -5.0270 -4.9066 -4.9031 -4.8872 -4.8789 -4.6909 -4.6853 -4.6489 -4.6464 -2.4063 -2.3952 -2.3194 -2.2952 -2.2503 -2.2258 -2.2148 -2.1846 -1.2877 -1.2597 -1.2529 -1.2276 -1.0983 -1.0656 -1.0431 -1.0122 -0.9484 -0.9344 -0.9277 -0.9053 -0.2771 -0.2503 -0.2492 -0.2206 0.5341 0.5475 0.6115 0.6320 0.8963 0.9123 0.9203 0.9281 1.2478 1.2591 1.2850 1.2948 1.5108 1.5180 1.6472 1.6589 5.4001 5.4144 5.5411 5.5599 6.7875 6.7879 6.8453 6.8582 7.8334 7.8506 7.9173 7.9435 8.9879 9.0271 k = 0.4038 0.7529-0.0428 ( 8176 PWs) bands (ev): -17.4671 -17.4671 -17.4649 -17.4649 -12.4199 -12.4198 -12.4021 -12.4020 -11.8052 -11.8051 -11.8026 -11.8025 -6.7879 -6.7877 -6.7510 -6.7508 -5.0474 -5.0438 -5.0295 -5.0256 -4.9072 -4.9030 -4.8883 -4.8783 -4.6954 -4.6894 -4.6432 -4.6410 -2.4195 -2.4095 -2.3133 -2.2881 -2.2536 -2.2296 -2.2076 -2.1774 -1.2926 -1.2580 -1.2578 -1.2264 -1.1021 -1.0613 -1.0476 -1.0097 -0.9498 -0.9324 -0.9298 -0.9020 -0.2791 -0.2515 -0.2456 -0.2158 0.5248 0.5371 0.6211 0.6424 0.8905 0.9083 0.9202 0.9276 1.2430 1.2548 1.2885 1.2986 1.4968 1.5035 1.6665 1.6786 5.3920 5.4058 5.5664 5.5856 6.7709 6.7726 6.8452 6.8600 7.8253 7.8409 7.9292 7.9560 8.9821 9.0302 k = 0.3846 0.7529-0.0428 ( 8166 PWs) bands (ev): -17.4673 -17.4673 -17.4647 -17.4646 -12.4216 -12.4216 -12.4004 -12.4004 -11.8054 -11.8053 -11.8023 -11.8023 -6.7912 -6.7910 -6.7472 -6.7470 -5.0463 -5.0422 -5.0286 -5.0239 -4.9078 -4.9030 -4.8894 -4.8778 -4.6996 -4.6933 -4.6375 -4.6356 -2.4328 -2.4237 -2.3086 -2.2834 -2.2564 -2.2332 -2.1994 -2.1696 -1.2977 -1.2632 -1.2561 -1.2256 -1.1058 -1.0572 -1.0522 -1.0075 -0.9511 -0.9318 -0.9301 -0.8986 -0.2809 -0.2536 -0.2406 -0.2108 0.5156 0.5269 0.6305 0.6527 0.8843 0.9039 0.9195 0.9265 1.2384 1.2506 1.2915 1.3019 1.4836 1.4899 1.6862 1.6985 5.3864 5.3995 5.5928 5.6126 6.7525 6.7553 6.8436 6.8604 7.8178 7.8317 7.9412 7.9684 8.9766 9.0266 k = 0.3654 0.7529-0.0428 ( 8170 PWs) bands (ev): -17.4676 -17.4675 -17.4645 -17.4644 -12.4234 -12.4234 -12.3989 -12.3988 -11.8056 -11.8055 -11.8020 -11.8020 -6.7944 -6.7943 -6.7435 -6.7433 -5.0450 -5.0404 -5.0277 -5.0219 -4.9084 -4.9031 -4.8904 -4.8775 -4.7037 -4.6969 -4.6318 -4.6301 -2.4460 -2.4377 -2.3053 -2.2811 -2.2585 -2.2365 -2.1902 -2.1614 -1.3029 -1.2687 -1.2548 -1.2250 -1.1095 -1.0569 -1.0534 -1.0059 -0.9522 -0.9337 -0.9278 -0.8951 -0.2823 -0.2554 -0.2354 -0.2057 0.5065 0.5168 0.6397 0.6628 0.8778 0.8993 0.9182 0.9249 1.2341 1.2467 1.2939 1.3049 1.4713 1.4771 1.7060 1.7185 5.3832 5.3958 5.6204 5.6405 6.7320 6.7360 6.8406 6.8594 7.8109 7.8231 7.9532 7.9805 8.9715 9.0206 k = 0.3462 0.7529-0.0428 ( 8164 PWs) bands (ev): -17.4678 -17.4677 -17.4643 -17.4643 -12.4251 -12.4251 -12.3973 -12.3973 -11.8057 -11.8056 -11.8017 -11.8017 -6.7975 -6.7973 -6.7398 -6.7396 -5.0434 -5.0384 -5.0265 -5.0197 -4.9090 -4.9033 -4.8915 -4.8774 -4.7074 -4.7004 -4.6261 -4.6246 -2.4590 -2.4514 -2.3033 -2.2812 -2.2595 -2.2396 -2.1804 -2.1529 -1.3081 -1.2744 -1.2537 -1.2247 -1.1132 -1.0616 -1.0497 -1.0047 -0.9532 -0.9353 -0.9252 -0.8916 -0.2836 -0.2570 -0.2299 -0.2004 0.4977 0.5069 0.6487 0.6727 0.8710 0.8946 0.9164 0.9227 1.2302 1.2430 1.2958 1.3074 1.4597 1.4654 1.7259 1.7383 5.3827 5.3947 5.6488 5.6692 6.7096 6.7146 6.8363 6.8570 7.8045 7.8151 7.9649 7.9924 8.9667 9.0149 k = 0.3269 0.7529-0.0428 ( 8164 PWs) bands (ev): -17.4680 -17.4680 -17.4641 -17.4641 -12.4268 -12.4268 -12.3959 -12.3959 -11.8059 -11.8058 -11.8015 -11.8014 -6.8004 -6.8003 -6.7362 -6.7360 -5.0417 -5.0362 -5.0254 -5.0172 -4.9096 -4.9035 -4.8924 -4.8775 -4.7110 -4.7036 -4.6204 -4.6192 -2.4717 -2.4648 -2.3026 -2.2832 -2.2600 -2.2425 -2.1701 -2.1442 -1.3134 -1.2802 -1.2527 -1.2246 -1.1170 -1.0665 -1.0464 -1.0040 -0.9541 -0.9368 -0.9225 -0.8881 -0.2846 -0.2585 -0.2243 -0.1951 0.4890 0.4973 0.6574 0.6824 0.8640 0.8897 0.9141 0.9202 1.2266 1.2397 1.2970 1.3094 1.4490 1.4546 1.7458 1.7581 5.3848 5.3962 5.6779 5.6986 6.6850 6.6910 6.8308 6.8533 7.7987 7.8076 7.9764 8.0039 8.9626 9.0098 k = 0.3077 0.7529-0.0428 ( 8160 PWs) bands (ev): -17.4682 -17.4682 -17.4639 -17.4639 -12.4284 -12.4284 -12.3945 -12.3945 -11.8060 -11.8060 -11.8012 -11.8011 -6.8032 -6.8031 -6.7327 -6.7325 -5.0398 -5.0339 -5.0241 -5.0145 -4.9104 -4.9038 -4.8933 -4.8779 -4.7142 -4.7067 -4.6148 -4.6138 -2.4842 -2.4778 -2.3028 -2.2864 -2.2601 -2.2451 -2.1597 -2.1355 -1.3185 -1.2860 -1.2520 -1.2245 -1.1208 -1.0714 -1.0434 -1.0037 -0.9547 -0.9381 -0.9196 -0.8846 -0.2853 -0.2597 -0.2184 -0.1898 0.4806 0.4878 0.6658 0.6918 0.8570 0.8847 0.9114 0.9172 1.2235 1.2366 1.2976 1.3108 1.4392 1.4449 1.7654 1.7775 5.3896 5.4004 5.7075 5.7284 6.6584 6.6653 6.8241 6.8483 7.7934 7.8007 7.9876 8.0148 8.9590 9.0053 k = 0.2885 0.7529-0.0428 ( 8160 PWs) bands (ev): -17.4684 -17.4684 -17.4638 -17.4637 -12.4300 -12.4300 -12.3931 -12.3931 -11.8062 -11.8061 -11.8009 -11.8009 -6.8059 -6.8058 -6.7293 -6.7291 -5.0378 -5.0313 -5.0228 -5.0116 -4.9112 -4.9041 -4.8942 -4.8785 -4.7172 -4.7095 -4.6094 -4.6085 -2.4962 -2.4903 -2.3040 -2.2902 -2.2604 -2.2476 -2.1494 -2.1268 -1.3236 -1.2918 -1.2513 -1.2245 -1.1246 -1.0764 -1.0408 -1.0039 -0.9552 -0.9393 -0.9164 -0.8811 -0.2859 -0.2609 -0.2125 -0.1844 0.4724 0.4786 0.6738 0.7009 0.8500 0.8797 0.9084 0.9138 1.2209 1.2337 1.2975 1.3116 1.4303 1.4361 1.7848 1.7966 5.3970 5.4072 5.7375 5.7585 6.6297 6.6374 6.8164 6.8422 7.7885 7.7943 7.9983 8.0251 8.9562 9.0014 k = 0.2692 0.7529-0.0428 ( 8162 PWs) bands (ev): -17.4686 -17.4686 -17.4636 -17.4636 -12.4315 -12.4315 -12.3919 -12.3919 -11.8063 -11.8062 -11.8006 -11.8006 -6.8084 -6.8083 -6.7260 -6.7258 -5.0357 -5.0285 -5.0216 -5.0085 -4.9123 -4.9043 -4.8950 -4.8794 -4.7199 -4.7121 -4.6041 -4.6033 -2.5077 -2.5023 -2.3058 -2.2943 -2.2608 -2.2499 -2.1392 -2.1183 -1.3284 -1.2976 -1.2507 -1.2246 -1.1285 -1.0814 -1.0386 -1.0044 -0.9554 -0.9404 -0.9130 -0.8778 -0.2862 -0.2620 -0.2065 -0.1792 0.4645 0.4697 0.6815 0.7096 0.8431 0.8748 0.9051 0.9102 1.2188 1.2313 1.2968 1.3117 1.4224 1.4284 1.8037 1.8151 5.4071 5.4167 5.7676 5.7885 6.5989 6.6073 6.8078 6.8350 7.7840 7.7884 8.0085 8.0347 8.9542 8.9981 k = 0.2500 0.7529-0.0428 ( 8164 PWs) bands (ev): -17.4688 -17.4687 -17.4634 -17.4634 -12.4330 -12.4329 -12.3907 -12.3907 -11.8064 -11.8063 -11.8004 -11.8004 -6.8108 -6.8107 -6.7229 -6.7227 -5.0336 -5.0255 -5.0204 -5.0052 -4.9135 -4.9043 -4.8958 -4.8805 -4.7223 -4.7146 -4.5989 -4.5983 -2.5187 -2.5137 -2.3082 -2.2986 -2.2614 -2.2521 -2.1295 -2.1102 -1.3329 -1.3032 -1.2502 -1.2246 -1.1323 -1.0866 -1.0367 -1.0052 -0.9556 -0.9414 -0.9094 -0.8746 -0.2864 -0.2630 -0.2004 -0.1741 0.4569 0.4612 0.6887 0.7178 0.8365 0.8700 0.9016 0.9064 1.2171 1.2291 1.2954 1.3111 1.4154 1.4216 1.8220 1.8329 5.4197 5.4287 5.7976 5.8184 6.5662 6.5753 6.7985 6.8267 7.7798 7.7829 8.0181 8.0435 8.9530 8.9955 k = 0.2308 0.7529-0.0428 ( 8172 PWs) bands (ev): -17.4689 -17.4689 -17.4633 -17.4633 -12.4343 -12.4343 -12.3896 -12.3896 -11.8065 -11.8064 -11.8002 -11.8001 -6.8130 -6.8129 -6.7199 -6.7197 -5.0316 -5.0223 -5.0192 -5.0017 -4.9149 -4.9043 -4.8967 -4.8820 -4.7245 -4.7168 -4.5940 -4.5935 -2.5291 -2.5245 -2.3108 -2.3028 -2.2622 -2.2542 -2.1201 -2.1025 -1.3372 -1.3088 -1.2496 -1.2247 -1.1361 -1.0918 -1.0352 -1.0063 -0.9555 -0.9422 -0.9057 -0.8717 -0.2864 -0.2639 -0.1944 -0.1691 0.4496 0.4530 0.6955 0.7256 0.8302 0.8654 0.8980 0.9024 1.2160 1.2272 1.2933 1.3098 1.4094 1.4158 1.8397 1.8500 5.4349 5.4432 5.8274 5.8477 6.5317 6.5413 6.7886 6.8176 7.7759 7.7779 8.0270 8.0514 8.9525 8.9936 k = 0.2115 0.7529-0.0428 ( 8176 PWs) bands (ev): -17.4691 -17.4691 -17.4632 -17.4632 -12.4356 -12.4356 -12.3886 -12.3886 -11.8066 -11.8065 -11.7999 -11.7999 -6.8150 -6.8150 -6.7171 -6.7170 -5.0296 -5.0189 -5.0182 -4.9980 -4.9166 -4.9041 -4.8975 -4.8836 -4.7263 -4.7189 -4.5894 -4.5890 -2.5388 -2.5346 -2.3137 -2.3070 -2.2631 -2.2562 -2.1113 -2.0953 -1.3411 -1.3141 -1.2491 -1.2248 -1.1396 -1.0970 -1.0340 -1.0076 -0.9553 -0.9431 -0.9018 -0.8690 -0.2863 -0.2649 -0.1884 -0.1644 0.4426 0.4453 0.7018 0.7327 0.8245 0.8610 0.8943 0.8983 1.2154 1.2257 1.2908 1.3078 1.4043 1.4109 1.8565 1.8662 5.4524 5.4602 5.8568 5.8764 6.4955 6.5057 6.7783 6.8076 7.7723 7.7733 8.0352 8.0585 8.9529 8.9922 k = 0.1923 0.7529-0.0428 ( 8184 PWs) bands (ev): -17.4693 -17.4692 -17.4631 -17.4630 -12.4368 -12.4367 -12.3876 -12.3876 -11.8067 -11.8066 -11.7997 -11.7997 -6.8169 -6.8169 -6.7145 -6.7144 -5.0277 -5.0172 -5.0152 -4.9943 -4.9184 -4.9038 -4.8985 -4.8854 -4.7279 -4.7208 -4.5850 -4.5847 -2.5478 -2.5441 -2.3167 -2.3111 -2.2641 -2.2581 -2.1031 -2.0886 -1.3446 -1.3192 -1.2484 -1.2249 -1.1430 -1.1022 -1.0331 -1.0091 -0.9551 -0.9438 -0.8978 -0.8666 -0.2859 -0.2658 -0.1825 -0.1600 0.4360 0.4380 0.7077 0.7391 0.8195 0.8568 0.8907 0.8942 1.2153 1.2244 1.2879 1.3051 1.4002 1.4068 1.8724 1.8814 5.4721 5.4793 5.8855 5.9041 6.4579 6.4686 6.7678 6.7971 7.7689 7.7690 8.0427 8.0646 8.9540 8.9914 k = 0.1731 0.7529-0.0428 ( 8182 PWs) bands (ev): -17.4694 -17.4694 -17.4630 -17.4629 -12.4379 -12.4378 -12.3868 -12.3868 -11.8067 -11.8067 -11.7995 -11.7995 -6.8186 -6.8186 -6.7121 -6.7120 -5.0259 -5.0164 -5.0114 -4.9906 -4.9203 -4.9034 -4.8996 -4.8873 -4.7293 -4.7225 -4.5809 -4.5807 -2.5561 -2.5527 -2.3196 -2.3150 -2.2651 -2.2599 -2.0955 -2.0825 -1.3476 -1.3241 -1.2477 -1.2251 -1.1460 -1.1074 -1.0323 -1.0107 -0.9547 -0.9445 -0.8938 -0.8646 -0.2855 -0.2668 -0.1768 -0.1560 0.4299 0.4313 0.7131 0.7446 0.8154 0.8530 0.8871 0.8901 1.2157 1.2235 1.2846 1.3019 1.3969 1.4033 1.8873 1.8955 5.4938 5.5003 5.9133 5.9306 6.4193 6.4304 6.7573 6.7862 7.7652 7.7657 8.0494 8.0698 8.9558 8.9911 k = 0.1538 0.7529-0.0428 ( 8188 PWs) bands (ev): -17.4695 -17.4695 -17.4629 -17.4628 -12.4388 -12.4388 -12.3860 -12.3860 -11.8068 -11.8067 -11.7993 -11.7993 -6.8202 -6.8201 -6.7099 -6.7098 -5.0242 -5.0157 -5.0075 -4.9870 -4.9223 -4.9029 -4.9009 -4.8892 -4.7303 -4.7241 -4.5772 -4.5770 -2.5635 -2.5606 -2.3225 -2.3186 -2.2661 -2.2616 -2.0885 -2.0771 -1.3502 -1.3287 -1.2469 -1.2255 -1.1485 -1.1126 -1.0316 -1.0123 -0.9543 -0.9452 -0.8898 -0.8629 -0.2849 -0.2678 -0.1714 -0.1523 0.4242 0.4251 0.7181 0.7489 0.8125 0.8494 0.8836 0.8862 1.2164 1.2229 1.2813 1.2982 1.3943 1.4004 1.9009 1.9084 5.5170 5.5230 5.9400 5.9556 6.3800 6.3915 6.7471 6.7750 7.7618 7.7627 8.0555 8.0741 8.9583 8.9912 k = 0.1346 0.7529-0.0428 ( 8180 PWs) bands (ev): -17.4696 -17.4696 -17.4628 -17.4627 -12.4397 -12.4397 -12.3853 -12.3853 -11.8068 -11.8068 -11.7992 -11.7991 -6.8215 -6.8215 -6.7079 -6.7078 -5.0226 -5.0151 -5.0034 -4.9835 -4.9241 -4.9027 -4.9024 -4.8909 -4.7312 -4.7255 -4.5738 -4.5737 -2.5702 -2.5676 -2.3251 -2.3219 -2.2670 -2.2632 -2.0823 -2.0723 -1.3524 -1.3331 -1.2459 -1.2260 -1.1506 -1.1176 -1.0310 -1.0141 -0.9538 -0.9458 -0.8859 -0.8616 -0.2842 -0.2688 -0.1663 -0.1492 0.4190 0.4195 0.7226 0.7520 0.8108 0.8461 0.8803 0.8823 1.2175 1.2226 1.2779 1.2942 1.3924 1.3981 1.9133 1.9199 5.5414 5.5468 5.9655 5.9788 6.3406 6.3524 6.7375 6.7639 7.7587 7.7600 8.0609 8.0776 8.9612 8.9915 k = 0.1154 0.7529-0.0428 ( 8176 PWs) bands (ev): -17.4697 -17.4697 -17.4627 -17.4627 -12.4405 -12.4405 -12.3847 -12.3847 -11.8069 -11.8068 -11.7990 -11.7990 -6.8227 -6.8227 -6.7062 -6.7061 -5.0212 -5.0147 -4.9994 -4.9804 -4.9258 -4.9049 -4.9017 -4.8924 -4.7318 -4.7268 -4.5708 -4.5707 -2.5760 -2.5738 -2.3275 -2.3249 -2.2679 -2.2646 -2.0767 -2.0682 -1.3540 -1.3371 -1.2448 -1.2268 -1.1520 -1.1225 -1.0304 -1.0158 -0.9532 -0.9464 -0.8821 -0.8607 -0.2834 -0.2699 -0.1615 -0.1465 0.4144 0.4146 0.7268 0.7537 0.8105 0.8431 0.8773 0.8788 1.2188 1.2226 1.2748 1.2899 1.3911 1.3961 1.9243 1.9300 5.5663 5.5711 5.9895 6.0002 6.3017 6.3138 6.7288 6.7530 7.7561 7.7575 8.0656 8.0802 8.9646 8.9920 k = 0.0962 0.7529-0.0428 ( 8180 PWs) bands (ev): -17.4698 -17.4698 -17.4626 -17.4626 -12.4411 -12.4411 -12.3842 -12.3842 -11.8069 -11.8069 -11.7989 -11.7989 -6.8237 -6.8237 -6.7047 -6.7046 -5.0199 -5.0145 -4.9953 -4.9778 -4.9271 -4.9075 -4.9011 -4.8937 -4.7322 -4.7279 -4.5683 -4.5682 -2.5809 -2.5791 -2.3296 -2.3275 -2.2686 -2.2659 -2.0719 -2.0648 -1.3551 -1.3408 -1.2436 -1.2277 -1.1527 -1.1273 -1.0298 -1.0175 -0.9527 -0.9470 -0.8785 -0.8603 -0.2825 -0.2710 -0.1571 -0.1444 0.4104 0.4104 0.7305 0.7541 0.8115 0.8402 0.8745 0.8755 1.2202 1.2228 1.2720 1.2857 1.3901 1.3945 1.9339 1.9387 5.5910 5.5952 6.0119 6.0195 6.2640 6.2763 6.7212 6.7426 7.7538 7.7552 8.0697 8.0821 8.9683 8.9924 k = 0.0769 0.7529-0.0428 ( 8174 PWs) bands (ev): -17.4699 -17.4699 -17.4626 -17.4626 -12.4417 -12.4417 -12.3838 -12.3838 -11.8069 -11.8069 -11.7988 -11.7988 -6.8245 -6.8245 -6.7035 -6.7034 -5.0187 -5.0143 -4.9914 -4.9759 -4.9278 -4.9104 -4.9004 -4.8947 -4.7325 -4.7290 -4.5662 -4.5661 -2.5850 -2.5835 -2.3314 -2.3297 -2.2692 -2.2671 -2.0678 -2.0622 -1.3557 -1.3441 -1.2422 -1.2290 -1.1528 -1.1317 -1.0291 -1.0192 -0.9521 -0.9476 -0.8751 -0.8603 -0.2815 -0.2722 -0.1532 -0.1429 0.4069 0.4070 0.7340 0.7535 0.8135 0.8375 0.8721 0.8727 1.2217 1.2231 1.2697 1.2815 1.3896 1.3931 1.9419 1.9457 5.6145 5.6180 6.0326 6.0368 6.2285 6.2409 6.7150 6.7330 7.7520 7.7533 8.0732 8.0833 8.9723 8.9925 k = 0.0577 0.7529-0.0428 ( 8172 PWs) bands (ev): -17.4699 -17.4699 -17.4625 -17.4625 -12.4421 -12.4421 -12.3835 -12.3835 -11.8069 -11.8069 -11.7987 -11.7987 -6.8252 -6.8252 -6.7025 -6.7025 -5.0176 -5.0144 -4.9876 -4.9750 -4.9278 -4.9136 -4.8997 -4.8955 -4.7325 -4.7299 -4.5645 -4.5645 -2.5881 -2.5869 -2.3327 -2.3315 -2.2696 -2.2680 -2.0645 -2.0603 -1.3559 -1.3470 -1.2407 -1.2304 -1.1521 -1.1359 -1.0283 -1.0209 -0.9516 -0.9482 -0.8720 -0.8607 -0.2804 -0.2733 -0.1498 -0.1420 0.4042 0.4043 0.7372 0.7521 0.8162 0.8347 0.8701 0.8704 1.2230 1.2236 1.2681 1.2776 1.3893 1.3920 1.9483 1.9512 5.6353 5.6381 6.0515 6.0522 6.1964 6.2086 6.7105 6.7245 7.7506 7.7517 8.0762 8.0838 8.9763 8.9921 k = 0.0385 0.7529-0.0428 ( 8162 PWs) bands (ev): -17.4700 -17.4700 -17.4625 -17.4625 -12.4424 -12.4424 -12.3832 -12.3832 -11.8070 -11.8069 -11.7987 -11.7986 -6.8256 -6.8256 -6.7018 -6.7018 -5.0167 -5.0145 -4.9840 -4.9751 -4.9269 -4.9168 -4.8990 -4.8963 -4.7324 -4.7306 -4.5633 -4.5633 -2.5902 -2.5895 -2.3336 -2.3328 -2.2698 -2.2688 -2.0619 -2.0591 -1.3555 -1.3496 -1.2390 -1.2320 -1.1508 -1.1398 -1.0274 -1.0224 -0.9510 -0.9488 -0.8691 -0.8616 -0.2793 -0.2745 -0.1469 -0.1417 0.4022 0.4024 0.7401 0.7502 0.8193 0.8319 0.8686 0.8687 1.2240 1.2242 1.2674 1.2740 1.3893 1.3911 1.9530 1.9550 5.6521 5.6541 6.0660 6.0682 6.1694 6.1803 6.7078 6.7175 7.7497 7.7505 8.0787 8.0838 8.9802 8.9911 k = 0.0192 0.7529-0.0428 ( 8154 PWs) bands (ev): -17.4700 -17.4700 -17.4625 -17.4625 -12.4426 -12.4426 -12.3831 -12.3831 -11.8070 -11.8070 -11.7986 -11.7986 -6.8259 -6.8259 -6.7014 -6.7014 -5.0159 -5.0149 -4.9808 -4.9762 -4.9252 -4.9200 -4.8984 -4.8970 -4.7322 -4.7312 -4.5626 -4.5625 -2.5915 -2.5911 -2.3341 -2.3337 -2.2699 -2.2693 -2.0601 -2.0587 -1.3547 -1.3517 -1.2373 -1.2337 -1.1489 -1.1433 -1.0263 -1.0238 -0.9504 -0.9493 -0.8667 -0.8629 -0.2781 -0.2757 -0.1447 -0.1420 0.4011 0.4012 0.7429 0.7480 0.8226 0.8290 0.8676 0.8677 1.2246 1.2246 1.2676 1.2711 1.3895 1.3904 1.9561 1.9571 5.6633 5.6643 6.0779 6.0811 6.1505 6.1581 6.7072 6.7121 7.7492 7.7496 8.0807 8.0832 8.9838 8.9894 k = 0.0000 0.7529-0.0428 ( 8150 PWs) bands (ev): -17.4700 -17.4700 -17.4625 -17.4625 -12.4426 -12.4426 -12.3830 -12.3830 -11.8070 -11.8070 -11.7986 -11.7986 -6.8260 -6.8260 -6.7012 -6.7012 -5.0153 -5.0153 -4.9781 -4.9781 -4.9228 -4.9228 -4.8977 -4.8977 -4.7318 -4.7318 -4.5623 -4.5623 -2.5918 -2.5918 -2.3341 -2.3341 -2.2697 -2.2697 -2.0590 -2.0590 -1.3534 -1.3534 -1.2355 -1.2355 -1.1463 -1.1463 -1.0251 -1.0251 -0.9499 -0.9499 -0.8646 -0.8646 -0.2769 -0.2769 -0.1430 -0.1430 0.4007 0.4007 0.7455 0.7455 0.8258 0.8258 0.8673 0.8673 1.2248 1.2248 1.2689 1.2689 1.3898 1.3898 1.9574 1.9574 5.6675 5.6675 6.0849 6.0849 6.1460 6.1460 6.7087 6.7087 7.7492 7.7492 8.0822 8.0822 8.9869 8.9869 k = 0.0000 0.7529-0.0428 ( 8150 PWs) bands (ev): -17.4700 -17.4700 -17.4625 -17.4625 -12.4426 -12.4426 -12.3830 -12.3830 -11.8070 -11.8070 -11.7986 -11.7986 -6.8260 -6.8260 -6.7012 -6.7012 -5.0153 -5.0153 -4.9781 -4.9781 -4.9228 -4.9228 -4.8977 -4.8977 -4.7318 -4.7318 -4.5623 -4.5623 -2.5918 -2.5918 -2.3341 -2.3341 -2.2697 -2.2697 -2.0590 -2.0590 -1.3534 -1.3534 -1.2355 -1.2355 -1.1463 -1.1463 -1.0251 -1.0251 -0.9499 -0.9499 -0.8646 -0.8646 -0.2769 -0.2769 -0.1430 -0.1430 0.4007 0.4007 0.7455 0.7455 0.8258 0.8258 0.8673 0.8673 1.2248 1.2248 1.2689 1.2689 1.3898 1.3898 1.9574 1.9574 5.6675 5.6675 6.0849 6.0849 6.1460 6.1460 6.7087 6.7087 7.7492 7.7492 8.0822 8.0822 8.9869 8.9869 k = 0.0000 0.7540-0.0239 ( 8150 PWs) bands (ev): -17.4700 -17.4700 -17.4625 -17.4625 -12.4426 -12.4426 -12.3829 -12.3829 -11.8071 -11.8071 -11.7986 -11.7986 -6.8257 -6.8256 -6.7009 -6.7009 -5.0178 -5.0149 -4.9791 -4.9776 -4.9241 -4.9213 -4.8989 -4.8956 -4.7323 -4.7316 -4.5631 -4.5619 -2.5924 -2.5903 -2.3354 -2.3335 -2.2720 -2.2686 -2.0622 -2.0576 -1.3580 -1.3485 -1.2362 -1.2339 -1.1480 -1.1434 -1.0258 -1.0239 -0.9516 -0.9455 -0.8673 -0.8608 -0.2782 -0.2753 -0.1437 -0.1423 0.4000 0.4013 0.7400 0.7498 0.8236 0.8275 0.8672 0.8675 1.2179 1.2295 1.2683 1.2706 1.3864 1.3926 1.9564 1.9578 5.6657 5.6702 6.0850 6.0860 6.1449 6.1490 6.7088 6.7104 7.7445 7.7491 8.0744 8.0805 8.9768 8.9972 k = 0.0000 0.7551-0.0051 ( 8157 PWs) bands (ev): -17.4699 -17.4699 -17.4625 -17.4625 -12.4426 -12.4426 -12.3827 -12.3826 -11.8076 -11.8076 -11.7986 -11.7986 -6.8247 -6.8246 -6.6999 -6.6999 -5.0221 -5.0168 -4.9803 -4.9778 -4.9248 -4.9196 -4.8991 -4.8929 -4.7333 -4.7319 -4.5643 -4.5618 -2.5923 -2.5881 -2.3372 -2.3334 -2.2754 -2.2686 -2.0671 -2.0579 -1.3620 -1.3432 -1.2362 -1.2313 -1.1482 -1.1394 -1.0260 -1.0218 -0.9503 -0.9389 -0.8689 -0.8559 -0.2790 -0.2734 -0.1442 -0.1414 0.3992 0.4017 0.7333 0.7526 0.8206 0.8284 0.8671 0.8676 1.2096 1.2314 1.2686 1.2731 1.3824 1.3946 1.9546 1.9575 5.6647 5.6737 6.0862 6.0882 6.1459 6.1538 6.7108 6.7140 7.7352 7.7442 8.0576 8.0695 8.9683 9.0057 k = 0.0000 0.7561 0.0137 ( 8161 PWs) bands (ev): -17.4699 -17.4699 -17.4626 -17.4626 -12.4425 -12.4425 -12.3822 -12.3822 -11.8084 -11.8084 -11.7987 -11.7986 -6.8231 -6.8229 -6.6982 -6.6982 -5.0278 -5.0207 -4.9821 -4.9791 -4.9249 -4.9178 -4.8983 -4.8899 -4.7346 -4.7326 -4.5658 -4.5622 -2.5914 -2.5851 -2.3396 -2.3337 -2.2797 -2.2697 -2.0737 -2.0601 -1.3653 -1.3379 -1.2354 -1.2276 -1.1469 -1.1346 -1.0255 -1.0189 -0.9462 -0.9306 -0.8694 -0.8500 -0.2794 -0.2711 -0.1445 -0.1404 0.3982 0.4019 0.7257 0.7539 0.8173 0.8286 0.8671 0.8678 1.2004 1.2305 1.2697 1.2765 1.3780 1.3958 1.9522 1.9565 5.6648 5.6778 6.0885 6.0913 6.1489 6.1604 6.7146 6.7194 7.7217 7.7347 8.0329 8.0501 8.9622 9.0110 k = 0.0000 0.7572 0.0325 ( 8171 PWs) bands (ev): -17.4698 -17.4698 -17.4626 -17.4626 -12.4424 -12.4424 -12.3816 -12.3816 -11.8094 -11.8093 -11.7988 -11.7987 -6.8209 -6.8206 -6.6960 -6.6960 -5.0344 -5.0264 -4.9845 -4.9814 -4.9242 -4.9157 -4.8968 -4.8867 -4.7362 -4.7336 -4.5676 -4.5630 -2.5897 -2.5813 -2.3426 -2.3344 -2.2848 -2.2719 -2.0818 -2.0640 -1.3678 -1.3326 -1.2339 -1.2230 -1.1441 -1.1290 -1.0242 -1.0150 -0.9398 -0.9212 -0.8688 -0.8431 -0.2794 -0.2685 -0.1448 -0.1393 0.3971 0.4020 0.7173 0.7534 0.8136 0.8281 0.8670 0.8680 1.1906 1.2272 1.2708 1.2805 1.3732 1.3963 1.9493 1.9547 5.6659 5.6824 6.0920 6.0954 6.1538 6.1684 6.7201 6.7263 7.7046 7.7212 8.0018 8.0236 8.9585 9.0125 k = 0.0000 0.7583 0.0513 ( 8178 PWs) bands (ev): -17.4697 -17.4697 -17.4627 -17.4627 -12.4423 -12.4423 -12.3809 -12.3808 -11.8105 -11.8105 -11.7989 -11.7989 -6.8181 -6.8178 -6.6933 -6.6932 -5.0418 -5.0332 -4.9878 -4.9848 -4.9227 -4.9133 -4.8949 -4.8835 -4.7380 -4.7348 -4.5697 -4.5642 -2.5873 -2.5768 -2.3461 -2.3355 -2.2906 -2.2749 -2.0914 -2.0696 -1.3695 -1.3275 -1.2317 -1.2176 -1.1400 -1.1229 -1.0218 -1.0100 -0.9315 -0.9112 -0.8670 -0.8353 -0.2790 -0.2657 -0.1449 -0.1382 0.3960 0.4019 0.7083 0.7511 0.8099 0.8271 0.8669 0.8683 1.1807 1.2222 1.2719 1.2846 1.3684 1.3960 1.9459 1.9524 5.6679 5.6873 6.0966 6.1004 6.1604 6.1776 6.7271 6.7346 7.6848 7.7044 7.9658 7.9914 8.9566 9.0105 k = 0.0000 0.7593 0.0701 ( 8173 PWs) bands (ev): -17.4696 -17.4696 -17.4629 -17.4629 -12.4422 -12.4421 -12.3800 -12.3800 -11.8118 -11.8117 -11.7992 -11.7992 -6.8149 -6.8146 -6.6901 -6.6900 -5.0497 -5.0410 -4.9918 -4.9891 -4.9207 -4.9105 -4.8926 -4.8805 -4.7399 -4.7361 -4.5719 -4.5659 -2.5841 -2.5716 -2.3502 -2.3369 -2.2967 -2.2785 -2.1023 -2.0767 -1.3703 -1.3230 -1.2286 -1.2113 -1.1347 -1.1165 -1.0181 -1.0042 -0.9220 -0.9012 -0.8638 -0.8268 -0.2781 -0.2627 -0.1448 -0.1370 0.3948 0.4017 0.6991 0.7470 0.8062 0.8255 0.8669 0.8685 1.1708 1.2159 1.2726 1.2882 1.3637 1.3951 1.9421 1.9495 5.6709 5.6925 6.1022 6.1061 6.1686 6.1878 6.7355 6.7440 7.6631 7.6849 7.9266 7.9552 8.9558 9.0052 k = 0.0000 0.7604 0.0889 ( 8175 PWs) bands (ev): -17.4695 -17.4695 -17.4630 -17.4630 -12.4420 -12.4420 -12.3791 -12.3790 -11.8131 -11.8131 -11.7996 -11.7995 -6.8113 -6.8109 -6.6866 -6.6865 -5.0578 -5.0493 -4.9965 -4.9940 -4.9182 -4.9074 -4.8903 -4.8778 -4.7418 -4.7375 -4.5744 -4.5680 -2.5803 -2.5658 -2.3549 -2.3385 -2.3028 -2.2825 -2.1142 -2.0853 -1.3702 -1.3193 -1.2245 -1.2046 -1.1285 -1.1100 -1.0133 -0.9977 -0.9121 -0.8915 -0.8590 -0.8178 -0.2769 -0.2597 -0.1447 -0.1359 0.3937 0.4013 0.6897 0.7411 0.8028 0.8234 0.8669 0.8687 1.1612 1.2086 1.2732 1.2911 1.3594 1.3935 1.9381 1.9461 5.6747 5.6977 6.1086 6.1125 6.1781 6.1986 6.7450 6.7543 7.6402 7.6635 7.8859 7.9165 8.9551 8.9969 k = 0.0000 0.7615 0.1077 ( 8179 PWs) bands (ev): -17.4694 -17.4694 -17.4631 -17.4631 -12.4418 -12.4418 -12.3780 -12.3780 -11.8145 -11.8144 -11.8000 -11.8000 -6.8074 -6.8070 -6.6829 -6.6829 -5.0659 -5.0579 -5.0017 -4.9993 -4.9154 -4.9043 -4.8879 -4.8753 -4.7436 -4.7389 -4.5770 -4.5704 -2.5759 -2.5595 -2.3599 -2.3404 -2.3088 -2.2867 -2.1270 -2.0951 -1.3692 -1.3164 -1.2194 -1.1975 -1.1218 -1.1035 -1.0074 -0.9907 -0.9023 -0.8827 -0.8523 -0.8085 -0.2753 -0.2567 -0.1444 -0.1348 0.3926 0.4008 0.6805 0.7337 0.7997 0.8209 0.8669 0.8689 1.1522 1.2007 1.2735 1.2930 1.3558 1.3915 1.9340 1.9424 5.6791 5.7029 6.1158 6.1193 6.1886 6.2097 6.7553 6.7651 7.6171 7.6411 7.8449 7.8766 8.9536 8.9863 k = 0.0000 0.7625 0.1265 ( 8180 PWs) bands (ev): -17.4692 -17.4692 -17.4633 -17.4633 -12.4417 -12.4416 -12.3770 -12.3769 -11.8158 -11.8158 -11.8005 -11.8005 -6.8034 -6.8030 -6.6791 -6.6791 -5.0739 -5.0664 -5.0071 -5.0049 -4.9124 -4.9013 -4.8856 -4.8731 -4.7452 -4.7402 -4.5797 -4.5731 -2.5710 -2.5528 -2.3652 -2.3427 -2.3142 -2.2906 -2.1404 -2.1059 -1.3673 -1.3146 -1.2132 -1.1905 -1.1148 -1.0972 -1.0006 -0.9835 -0.8931 -0.8750 -0.8436 -0.7994 -0.2734 -0.2537 -0.1440 -0.1339 0.3916 0.4001 0.6716 0.7251 0.7969 0.8181 0.8669 0.8691 1.1438 1.1921 1.2736 1.2938 1.3530 1.3890 1.9299 1.9384 5.6841 5.7078 6.1234 6.1265 6.1998 6.2209 6.7660 6.7761 7.5944 7.6184 7.8050 7.8368 8.9504 8.9741 k = 0.0000 0.7636 0.1453 ( 8165 PWs) bands (ev): -17.4690 -17.4690 -17.4635 -17.4635 -12.4415 -12.4414 -12.3759 -12.3759 -11.8171 -11.8171 -11.8011 -11.8010 -6.7993 -6.7989 -6.6754 -6.6753 -5.0815 -5.0748 -5.0127 -5.0105 -4.9094 -4.8986 -4.8831 -4.8712 -4.7466 -4.7414 -4.5823 -4.5759 -2.5657 -2.5460 -2.3705 -2.3454 -2.3189 -2.2939 -2.1540 -2.1176 -1.3647 -1.3136 -1.2063 -1.1837 -1.1077 -1.0912 -0.9932 -0.9764 -0.8846 -0.8683 -0.8333 -0.7908 -0.2712 -0.2510 -0.1435 -0.1330 0.3907 0.3994 0.6634 0.7155 0.7944 0.8151 0.8668 0.8692 1.1364 1.1833 1.2735 1.2935 1.3512 1.3861 1.9260 1.9342 5.6895 5.7124 6.1313 6.1338 6.2114 6.2317 6.7770 6.7870 7.5729 7.5960 7.7671 7.7981 8.9449 8.9611 k = 0.0000 0.7647 0.1641 ( 8162 PWs) bands (ev): -17.4689 -17.4689 -17.4637 -17.4636 -12.4414 -12.4413 -12.3749 -12.3748 -11.8183 -11.8183 -11.8016 -11.8016 -6.7953 -6.7949 -6.6718 -6.6717 -5.0886 -5.0826 -5.0181 -5.0161 -4.9065 -4.8962 -4.8806 -4.8697 -4.7477 -4.7425 -4.5849 -4.5790 -2.5600 -2.5393 -2.3758 -2.3488 -2.3226 -2.2965 -2.1675 -2.1299 -1.3614 -1.3136 -1.1988 -1.1774 -1.1008 -1.0857 -0.9856 -0.9696 -0.8770 -0.8625 -0.8222 -0.7829 -0.2687 -0.2487 -0.1428 -0.1324 0.3900 0.3986 0.6561 0.7054 0.7923 0.8119 0.8668 0.8694 1.1300 1.1743 1.2734 1.2922 1.3504 1.3831 1.9222 1.9301 5.6951 5.7165 6.1391 6.1410 6.2230 6.2420 6.7878 6.7973 7.5531 7.5747 7.7323 7.7616 8.9370 8.9479 k = 0.0000 0.7657 0.1830 ( 8164 PWs) bands (ev): -17.4687 -17.4687 -17.4638 -17.4638 -12.4412 -12.4412 -12.3740 -12.3739 -11.8194 -11.8194 -11.8022 -11.8022 -6.7915 -6.7912 -6.6685 -6.6684 -5.0950 -5.0899 -5.0232 -5.0213 -4.9036 -4.8944 -4.8781 -4.8685 -4.7485 -4.7435 -4.5873 -4.5820 -2.5541 -2.5331 -2.3805 -2.3528 -2.3252 -2.2983 -2.1804 -2.1424 -1.3576 -1.3144 -1.1910 -1.1719 -1.0944 -1.0808 -0.9780 -0.9633 -0.8702 -0.8575 -0.8109 -0.7762 -0.2661 -0.2467 -0.1420 -0.1319 0.3895 0.3977 0.6499 0.6951 0.7905 0.8087 0.8668 0.8695 1.1249 1.1654 1.2732 1.2902 1.3504 1.3800 1.9188 1.9260 5.7007 5.7201 6.1465 6.1480 6.2343 6.2514 6.7980 6.8066 7.5356 7.5549 7.7013 7.7280 8.9273 8.9354 k = 0.0000 0.7668 0.2018 ( 8166 PWs) bands (ev): -17.4685 -17.4685 -17.4640 -17.4640 -12.4411 -12.4411 -12.3731 -12.3730 -11.8203 -11.8203 -11.8027 -11.8027 -6.7881 -6.7878 -6.6656 -6.6655 -5.1006 -5.0963 -5.0278 -5.0261 -4.9008 -4.8930 -4.8755 -4.8676 -4.7490 -4.7444 -4.5895 -4.5849 -2.5480 -2.5276 -2.3843 -2.3575 -2.3264 -2.2995 -2.1922 -2.1549 -1.3534 -1.3158 -1.1833 -1.1675 -1.0885 -1.0765 -0.9708 -0.9578 -0.8641 -0.8532 -0.8000 -0.7708 -0.2634 -0.2453 -0.1411 -0.1317 0.3892 0.3967 0.6450 0.6849 0.7890 0.8056 0.8667 0.8697 1.1211 1.1568 1.2731 1.2877 1.3511 1.3768 1.9159 1.9222 5.7061 5.7229 6.1534 6.1546 6.2449 6.2597 6.8074 6.8147 7.5207 7.5370 7.6747 7.6981 8.9168 8.9237 k = 0.0000 0.7679 0.2206 ( 8171 PWs) bands (ev): -17.4684 -17.4684 -17.4642 -17.4642 -12.4410 -12.4410 -12.3724 -12.3723 -11.8211 -11.8210 -11.8032 -11.8032 -6.7852 -6.7849 -6.6631 -6.6630 -5.1053 -5.1017 -5.0318 -5.0303 -4.8982 -4.8921 -4.8731 -4.8671 -4.7492 -4.7451 -4.5913 -4.5875 -2.5421 -2.5234 -2.3868 -2.3626 -2.3264 -2.3004 -2.2020 -2.1671 -1.3490 -1.3179 -1.1760 -1.1644 -1.0833 -1.0729 -0.9643 -0.9533 -0.8587 -0.8498 -0.7898 -0.7670 -0.2606 -0.2445 -0.1401 -0.1317 0.3892 0.3957 0.6416 0.6751 0.7881 0.8027 0.8667 0.8698 1.1188 1.1487 1.2730 1.2850 1.3523 1.3737 1.9135 1.9187 5.7111 5.7250 6.1595 6.1605 6.2546 6.2665 6.8156 6.8214 7.5087 7.5214 7.6531 7.6725 8.9069 8.9131 k = 0.0000 0.7689 0.2394 ( 8166 PWs) bands (ev): -17.4682 -17.4682 -17.4643 -17.4643 -12.4410 -12.4410 -12.3718 -12.3717 -11.8216 -11.8216 -11.8036 -11.8036 -6.7828 -6.7826 -6.6612 -6.6611 -5.1088 -5.1061 -5.0349 -5.0338 -4.8957 -4.8916 -4.8707 -4.8669 -4.7492 -4.7458 -4.5927 -4.5898 -2.5363 -2.5208 -2.3878 -2.3680 -2.3250 -2.3017 -2.2091 -2.1787 -1.3445 -1.3205 -1.1693 -1.1626 -1.0791 -1.0700 -0.9587 -0.9499 -0.8541 -0.8473 -0.7807 -0.7649 -0.2579 -0.2443 -0.1391 -0.1319 0.3894 0.3946 0.6399 0.6660 0.7876 0.8000 0.8666 0.8699 1.1179 1.1413 1.2731 1.2824 1.3540 1.3706 1.9117 1.9157 5.7157 5.7263 6.1645 6.1656 6.2630 6.2718 6.8223 6.8263 7.4999 7.5085 7.6369 7.6518 8.8983 8.9040 k = 0.0000 0.7700 0.2582 ( 8168 PWs) bands (ev): -17.4681 -17.4681 -17.4645 -17.4645 -12.4410 -12.4410 -12.3713 -12.3713 -11.8220 -11.8220 -11.8039 -11.8039 -6.7811 -6.7810 -6.6599 -6.6598 -5.1112 -5.1093 -5.0371 -5.0364 -4.8936 -4.8915 -4.8687 -4.8668 -4.7490 -4.7465 -4.5936 -4.5917 -2.5309 -2.5199 -2.3872 -2.3733 -2.3224 -2.3038 -2.2127 -2.1892 -1.3401 -1.3237 -1.1636 -1.1623 -1.0761 -1.0678 -0.9542 -0.9476 -0.8503 -0.8458 -0.7730 -0.7646 -0.2554 -0.2447 -0.1381 -0.1323 0.3899 0.3935 0.6399 0.6579 0.7875 0.7976 0.8664 0.8701 1.1186 1.1347 1.2734 1.2801 1.3560 1.3677 1.9106 1.9131 5.7195 5.7267 6.1683 6.1696 6.2699 6.2753 6.8268 6.8299 7.4943 7.4984 7.6264 7.6366 8.8916 8.8967 k = 0.5000 0.7358 0.3437 ( 8158 PWs) bands (ev): -17.4660 -17.4660 -17.4660 -17.4660 -12.4046 -12.4046 -12.4045 -12.4045 -11.8137 -11.8137 -11.8135 -11.8135 -6.7244 -6.7244 -6.7242 -6.7242 -5.1024 -5.1024 -5.0880 -5.0880 -4.9487 -4.9487 -4.9327 -4.9327 -4.6343 -4.6343 -4.6314 -4.6314 -2.4304 -2.4304 -2.4166 -2.4166 -2.2176 -2.2176 -2.1900 -2.1900 -1.2513 -1.2513 -1.1999 -1.1999 -1.0282 -1.0282 -0.9625 -0.9625 -0.8643 -0.8643 -0.8100 -0.8100 -0.2598 -0.2598 -0.2110 -0.2110 0.5419 0.5419 0.5621 0.5621 0.8841 0.8841 0.8920 0.8920 1.1999 1.1999 1.2176 1.2176 1.5672 1.5672 1.5776 1.5776 5.4835 5.4835 5.5039 5.5039 6.8801 6.8801 6.9070 6.9070 7.6865 7.6865 7.7512 7.7512 8.8490 8.8491 k = 0.5000 0.7165 0.3437 ( 8158 PWs) bands (ev): -17.4662 -17.4662 -17.4661 -17.4661 -12.4046 -12.4046 -12.4045 -12.4045 -11.8142 -11.8142 -11.8139 -11.8139 -6.7238 -6.7238 -6.7236 -6.7236 -5.1019 -5.1019 -5.0876 -5.0876 -4.9483 -4.9483 -4.9324 -4.9324 -4.6343 -4.6343 -4.6317 -4.6317 -2.4313 -2.4313 -2.4166 -2.4166 -2.2173 -2.2173 -2.1897 -2.1897 -1.2509 -1.2509 -1.2001 -1.2001 -1.0285 -1.0285 -0.9608 -0.9608 -0.8631 -0.8631 -0.8088 -0.8088 -0.2623 -0.2623 -0.2078 -0.2078 0.5321 0.5321 0.5701 0.5701 0.8807 0.8807 0.8955 0.8955 1.1898 1.1898 1.2255 1.2255 1.5614 1.5614 1.5813 1.5813 5.4850 5.4850 5.5103 5.5103 6.8802 6.8802 6.9072 6.9072 7.6844 7.6844 7.7488 7.7488 8.8508 8.8508 k = 0.5000 0.6971 0.3437 ( 8166 PWs) bands (ev): -17.4664 -17.4664 -17.4664 -17.4664 -12.4048 -12.4048 -12.4047 -12.4047 -11.8148 -11.8148 -11.8144 -11.8144 -6.7236 -6.7236 -6.7232 -6.7232 -5.1003 -5.1003 -5.0860 -5.0860 -4.9473 -4.9473 -4.9314 -4.9314 -4.6345 -4.6345 -4.6319 -4.6319 -2.4327 -2.4327 -2.4168 -2.4168 -2.2167 -2.2167 -2.1890 -2.1890 -1.2512 -1.2512 -1.2000 -1.2000 -1.0299 -1.0299 -0.9584 -0.9584 -0.8620 -0.8620 -0.8075 -0.8075 -0.2664 -0.2664 -0.2027 -0.2027 0.5213 0.5213 0.5782 0.5782 0.8770 0.8770 0.8999 0.8999 1.1790 1.1790 1.2330 1.2330 1.5544 1.5544 1.5850 1.5850 5.4882 5.4882 5.5201 5.5201 6.8805 6.8805 6.9075 6.9075 7.6828 7.6828 7.7471 7.7471 8.8525 8.8525 k = 0.5000 0.6777 0.3437 ( 8172 PWs) bands (ev): -17.4668 -17.4668 -17.4667 -17.4667 -12.4051 -12.4051 -12.4051 -12.4051 -11.8156 -11.8156 -11.8150 -11.8150 -6.7237 -6.7237 -6.7232 -6.7232 -5.0976 -5.0976 -5.0834 -5.0834 -4.9454 -4.9454 -4.9296 -4.9296 -4.6347 -4.6347 -4.6323 -4.6323 -2.4345 -2.4345 -2.4172 -2.4172 -2.2157 -2.2157 -2.1877 -2.1877 -1.2521 -1.2521 -1.1997 -1.1997 -1.0321 -1.0321 -0.9552 -0.9552 -0.8608 -0.8608 -0.8063 -0.8063 -0.2714 -0.2714 -0.1965 -0.1965 0.5101 0.5101 0.5859 0.5859 0.8736 0.8736 0.9046 0.9046 1.1677 1.1677 1.2401 1.2401 1.5470 1.5470 1.5881 1.5881 5.4935 5.4935 5.5329 5.5329 6.8807 6.8807 6.9079 6.9079 7.6817 7.6817 7.7459 7.7459 8.8539 8.8540 k = 0.5000 0.6584 0.3437 ( 8168 PWs) bands (ev): -17.4672 -17.4672 -17.4672 -17.4672 -12.4057 -12.4057 -12.4056 -12.4056 -11.8164 -11.8164 -11.8156 -11.8156 -6.7241 -6.7241 -6.7236 -6.7236 -5.0941 -5.0941 -5.0799 -5.0799 -4.9428 -4.9428 -4.9270 -4.9270 -4.6351 -4.6351 -4.6326 -4.6326 -2.4367 -2.4367 -2.4178 -2.4178 -2.2143 -2.2143 -2.1858 -2.1858 -1.2535 -1.2535 -1.1991 -1.1991 -1.0350 -1.0350 -0.9516 -0.9516 -0.8597 -0.8597 -0.8051 -0.8051 -0.2768 -0.2768 -0.1896 -0.1896 0.4986 0.4986 0.5930 0.5930 0.8704 0.8704 0.9095 0.9095 1.1560 1.1560 1.2467 1.2467 1.5392 1.5392 1.5904 1.5904 5.5012 5.5012 5.5482 5.5482 6.8809 6.8809 6.9083 6.9083 7.6811 7.6811 7.7453 7.7453 8.8552 8.8552 k = 0.5000 0.6390 0.3437 ( 8162 PWs) bands (ev): -17.4678 -17.4678 -17.4677 -17.4677 -12.4063 -12.4063 -12.4062 -12.4062 -11.8174 -11.8174 -11.8164 -11.8164 -6.7248 -6.7248 -6.7242 -6.7242 -5.0897 -5.0897 -5.0756 -5.0756 -4.9392 -4.9392 -4.9235 -4.9235 -4.6355 -4.6355 -4.6330 -4.6330 -2.4392 -2.4392 -2.4188 -2.4188 -2.2126 -2.2126 -2.1836 -2.1836 -1.2554 -1.2554 -1.1984 -1.1984 -1.0384 -1.0384 -0.9478 -0.9478 -0.8586 -0.8586 -0.8040 -0.8040 -0.2824 -0.2824 -0.1824 -0.1824 0.4870 0.4870 0.5994 0.5994 0.8675 0.8675 0.9146 0.9146 1.1441 1.1441 1.2529 1.2529 1.5312 1.5312 1.5919 1.5919 5.5112 5.5112 5.5657 5.5657 6.8810 6.8810 6.9086 6.9086 7.6811 7.6811 7.7452 7.7452 8.8565 8.8565 k = 0.5000 0.6196 0.3437 ( 8154 PWs) bands (ev): -17.4684 -17.4684 -17.4683 -17.4683 -12.4071 -12.4071 -12.4070 -12.4070 -11.8184 -11.8184 -11.8173 -11.8173 -6.7258 -6.7258 -6.7251 -6.7251 -5.0847 -5.0847 -5.0705 -5.0705 -4.9346 -4.9346 -4.9192 -4.9192 -4.6359 -4.6359 -4.6334 -4.6334 -2.4419 -2.4419 -2.4201 -2.4201 -2.2105 -2.2105 -2.1809 -2.1809 -1.2578 -1.2578 -1.1975 -1.1975 -1.0420 -1.0420 -0.9439 -0.9439 -0.8575 -0.8575 -0.8030 -0.8030 -0.2878 -0.2878 -0.1750 -0.1750 0.4753 0.4753 0.6052 0.6052 0.8649 0.8649 0.9197 0.9197 1.1320 1.1320 1.2586 1.2586 1.5231 1.5231 1.5927 1.5927 5.5234 5.5234 5.5852 5.5852 6.8810 6.8810 6.9088 6.9088 7.6815 7.6815 7.7456 7.7456 8.8581 8.8581 k = 0.5000 0.6003 0.3437 ( 8160 PWs) bands (ev): -17.4691 -17.4691 -17.4691 -17.4691 -12.4081 -12.4081 -12.4080 -12.4080 -11.8195 -11.8195 -11.8183 -11.8183 -6.7272 -6.7272 -6.7264 -6.7264 -5.0791 -5.0791 -5.0650 -5.0650 -4.9290 -4.9290 -4.9138 -4.9138 -4.6364 -4.6364 -4.6338 -4.6338 -2.4449 -2.4449 -2.4217 -2.4217 -2.2082 -2.2082 -2.1778 -2.1778 -1.2606 -1.2606 -1.1967 -1.1967 -1.0457 -1.0457 -0.9401 -0.9401 -0.8564 -0.8564 -0.8021 -0.8021 -0.2929 -0.2929 -0.1676 -0.1676 0.4638 0.4638 0.6103 0.6103 0.8626 0.8626 0.9246 0.9246 1.1199 1.1199 1.2641 1.2641 1.5149 1.5149 1.5926 1.5926 5.5379 5.5379 5.6065 5.6065 6.8808 6.8808 6.9088 6.9088 7.6825 7.6825 7.7464 7.7464 8.8600 8.8600 k = 0.5000 0.5809 0.3437 ( 8158 PWs) bands (ev): -17.4699 -17.4699 -17.4699 -17.4699 -12.4092 -12.4092 -12.4091 -12.4091 -11.8207 -11.8207 -11.8193 -11.8193 -6.7287 -6.7287 -6.7279 -6.7279 -5.0731 -5.0731 -5.0590 -5.0590 -4.9223 -4.9223 -4.9074 -4.9074 -4.6368 -4.6368 -4.6342 -4.6342 -2.4481 -2.4481 -2.4238 -2.4238 -2.2055 -2.2055 -2.1744 -2.1744 -1.2638 -1.2638 -1.1959 -1.1959 -1.0493 -1.0493 -0.9366 -0.9366 -0.8552 -0.8552 -0.8013 -0.8013 -0.2978 -0.2978 -0.1603 -0.1603 0.4524 0.4524 0.6148 0.6148 0.8606 0.8606 0.9290 0.9290 1.1083 1.1083 1.2691 1.2691 1.5068 1.5068 1.5918 1.5918 5.5543 5.5543 5.6292 5.6292 6.8804 6.8804 6.9085 6.9085 7.6839 7.6839 7.7475 7.7475 8.8624 8.8624 k = 0.5000 0.5616 0.3437 ( 8166 PWs) bands (ev): -17.4708 -17.4708 -17.4707 -17.4707 -12.4104 -12.4104 -12.4103 -12.4103 -11.8219 -11.8219 -11.8205 -11.8205 -6.7306 -6.7306 -6.7296 -6.7296 -5.0668 -5.0668 -5.0529 -5.0529 -4.9145 -4.9145 -4.9000 -4.9000 -4.6372 -4.6372 -4.6344 -4.6344 -2.4515 -2.4515 -2.4262 -2.4262 -2.2025 -2.2025 -2.1708 -2.1708 -1.2673 -1.2673 -1.1952 -1.1952 -1.0529 -1.0529 -0.9334 -0.9334 -0.8540 -0.8540 -0.8007 -0.8007 -0.3021 -0.3021 -0.1531 -0.1531 0.4413 0.4413 0.6185 0.6185 0.8588 0.8588 0.9326 0.9326 1.0975 1.0975 1.2739 1.2739 1.4988 1.4988 1.5903 1.5903 5.5725 5.5725 5.6533 5.6533 6.8796 6.8796 6.9078 6.9078 7.6859 7.6859 7.7491 7.7491 8.8651 8.8651 k = 0.5000 0.5422 0.3437 ( 8166 PWs) bands (ev): -17.4718 -17.4718 -17.4717 -17.4717 -12.4118 -12.4118 -12.4117 -12.4117 -11.8232 -11.8232 -11.8216 -11.8216 -6.7327 -6.7327 -6.7316 -6.7316 -5.0604 -5.0604 -5.0466 -5.0466 -4.9054 -4.9054 -4.8915 -4.8915 -4.6374 -4.6374 -4.6346 -4.6346 -2.4552 -2.4552 -2.4290 -2.4290 -2.1993 -2.1993 -2.1669 -2.1669 -1.2710 -1.2710 -1.1946 -1.1946 -1.0563 -1.0563 -0.9307 -0.9307 -0.8527 -0.8527 -0.8003 -0.8003 -0.3059 -0.3059 -0.1462 -0.1462 0.4305 0.4305 0.6217 0.6217 0.8572 0.8572 0.9348 0.9348 1.0881 1.0881 1.2783 1.2783 1.4909 1.4909 1.5881 1.5881 5.5924 5.5924 5.6783 5.6783 6.8784 6.8784 6.9067 6.9067 7.6884 7.6884 7.7509 7.7509 8.8680 8.8680 k = 0.5000 0.5228 0.3437 ( 8166 PWs) bands (ev): -17.4728 -17.4728 -17.4727 -17.4727 -12.4133 -12.4133 -12.4131 -12.4131 -11.8246 -11.8246 -11.8229 -11.8229 -6.7350 -6.7350 -6.7339 -6.7339 -5.0540 -5.0540 -5.0404 -5.0404 -4.8952 -4.8952 -4.8819 -4.8819 -4.6375 -4.6375 -4.6345 -4.6345 -2.4589 -2.4589 -2.4322 -2.4322 -2.1958 -2.1958 -2.1628 -2.1628 -1.2749 -1.2749 -1.1943 -1.1943 -1.0595 -1.0595 -0.9285 -0.9285 -0.8513 -0.8513 -0.8001 -0.8001 -0.3091 -0.3091 -0.1396 -0.1396 0.4202 0.4202 0.6242 0.6242 0.8559 0.8559 0.9352 0.9352 1.0807 1.0807 1.2825 1.2825 1.4834 1.4834 1.5853 1.5853 5.6137 5.6137 5.7041 5.7041 6.8767 6.8767 6.9051 6.9051 7.6915 7.6915 7.7529 7.7529 8.8711 8.8711 k = 0.5000 0.5035 0.3437 ( 8158 PWs) bands (ev): -17.4739 -17.4739 -17.4738 -17.4738 -12.4148 -12.4148 -12.4147 -12.4147 -11.8259 -11.8259 -11.8242 -11.8242 -6.7374 -6.7374 -6.7363 -6.7363 -5.0477 -5.0477 -5.0343 -5.0343 -4.8840 -4.8840 -4.8714 -4.8714 -4.6373 -4.6373 -4.6342 -4.6342 -2.4629 -2.4629 -2.4357 -2.4357 -2.1922 -2.1922 -2.1586 -2.1586 -1.2789 -1.2789 -1.1943 -1.1943 -1.0623 -1.0623 -0.9268 -0.9268 -0.8499 -0.8499 -0.8002 -0.8002 -0.3117 -0.3117 -0.1333 -0.1333 0.4105 0.4105 0.6261 0.6261 0.8547 0.8547 0.9331 0.9331 1.0760 1.0760 1.2863 1.2863 1.4762 1.4762 1.5820 1.5820 5.6362 5.6362 5.7304 5.7304 6.8745 6.8745 6.9029 6.9029 7.6950 7.6950 7.7552 7.7552 8.8741 8.8741 k = 0.5000 0.4841 0.3437 ( 8156 PWs) bands (ev): -17.4750 -17.4750 -17.4749 -17.4749 -12.4165 -12.4165 -12.4164 -12.4164 -11.8274 -11.8274 -11.8256 -11.8256 -6.7400 -6.7400 -6.7389 -6.7389 -5.0415 -5.0415 -5.0284 -5.0284 -4.8718 -4.8718 -4.8601 -4.8601 -4.6367 -4.6367 -4.6334 -4.6334 -2.4670 -2.4670 -2.4395 -2.4395 -2.1884 -2.1884 -2.1543 -2.1543 -1.2831 -1.2831 -1.1946 -1.1946 -1.0649 -1.0649 -0.9256 -0.9256 -0.8485 -0.8485 -0.8006 -0.8006 -0.3135 -0.3135 -0.1274 -0.1274 0.4013 0.4013 0.6275 0.6275 0.8537 0.8537 0.9284 0.9284 1.0742 1.0742 1.2898 1.2898 1.4693 1.4693 1.5782 1.5782 5.6596 5.6596 5.7569 5.7569 6.8716 6.8716 6.9001 6.9001 7.6992 7.6992 7.7576 7.7576 8.8766 8.8766 k = 0.5000 0.4647 0.3437 ( 8158 PWs) bands (ev): -17.4762 -17.4762 -17.4761 -17.4761 -12.4183 -12.4183 -12.4181 -12.4181 -11.8288 -11.8288 -11.8269 -11.8269 -6.7428 -6.7428 -6.7416 -6.7416 -5.0356 -5.0356 -5.0227 -5.0227 -4.8589 -4.8589 -4.8481 -4.8481 -4.6356 -4.6356 -4.6322 -4.6322 -2.4712 -2.4712 -2.4437 -2.4437 -2.1845 -2.1845 -2.1501 -2.1501 -1.2873 -1.2873 -1.1952 -1.1952 -1.0670 -1.0670 -0.9249 -0.9249 -0.8472 -0.8472 -0.8013 -0.8013 -0.3146 -0.3146 -0.1220 -0.1220 0.3928 0.3928 0.6283 0.6283 0.8528 0.8528 0.9212 0.9212 1.0754 1.0754 1.2931 1.2931 1.4628 1.4628 1.5740 1.5740 5.6837 5.6837 5.7834 5.7834 6.8680 6.8680 6.8967 6.8967 7.7038 7.7038 7.7603 7.7603 8.8786 8.8786 k = 0.5000 0.4454 0.3437 ( 8172 PWs) bands (ev): -17.4774 -17.4774 -17.4773 -17.4773 -12.4201 -12.4201 -12.4200 -12.4200 -11.8303 -11.8303 -11.8284 -11.8284 -6.7457 -6.7457 -6.7445 -6.7445 -5.0299 -5.0299 -5.0173 -5.0173 -4.8455 -4.8455 -4.8358 -4.8358 -4.6340 -4.6340 -4.6302 -4.6302 -2.4755 -2.4755 -2.4481 -2.4481 -2.1806 -2.1806 -2.1459 -2.1459 -1.2914 -1.2914 -1.1961 -1.1961 -1.0689 -1.0689 -0.9248 -0.9248 -0.8460 -0.8460 -0.8023 -0.8023 -0.3149 -0.3149 -0.1171 -0.1171 0.3851 0.3851 0.6285 0.6285 0.8519 0.8519 0.9119 0.9119 1.0793 1.0793 1.2960 1.2960 1.4568 1.4568 1.5696 1.5696 5.7083 5.7083 5.8097 5.8097 6.8637 6.8637 6.8926 6.8926 7.7090 7.7090 7.7631 7.7631 8.8796 8.8796 k = 0.5000 0.4260 0.3437 ( 8172 PWs) bands (ev): -17.4787 -17.4787 -17.4786 -17.4786 -12.4220 -12.4220 -12.4219 -12.4219 -11.8317 -11.8317 -11.8298 -11.8298 -6.7486 -6.7486 -6.7474 -6.7474 -5.0244 -5.0244 -5.0122 -5.0122 -4.8320 -4.8320 -4.8233 -4.8233 -4.6315 -4.6315 -4.6273 -4.6273 -2.4800 -2.4800 -2.4528 -2.4528 -2.1767 -2.1767 -2.1418 -2.1418 -1.2955 -1.2955 -1.1974 -1.1974 -1.0704 -1.0704 -0.9251 -0.9251 -0.8450 -0.8450 -0.8037 -0.8037 -0.3144 -0.3144 -0.1128 -0.1128 0.3781 0.3781 0.6282 0.6282 0.8512 0.8512 0.9012 0.9012 1.0853 1.0853 1.2985 1.2985 1.4512 1.4512 1.5650 1.5650 5.7331 5.7331 5.8355 5.8355 6.8586 6.8586 6.8879 6.8879 7.7147 7.7147 7.7660 7.7660 8.8795 8.8795 k = 0.5000 0.4066 0.3437 ( 8170 PWs) bands (ev): -17.4799 -17.4799 -17.4798 -17.4798 -12.4239 -12.4239 -12.4238 -12.4238 -11.8332 -11.8332 -11.8312 -11.8312 -6.7517 -6.7517 -6.7504 -6.7504 -5.0191 -5.0191 -5.0073 -5.0073 -4.8187 -4.8187 -4.8111 -4.8111 -4.6281 -4.6281 -4.6233 -4.6233 -2.4845 -2.4845 -2.4577 -2.4577 -2.1727 -2.1727 -2.1378 -2.1378 -1.2994 -1.2994 -1.1991 -1.1991 -1.0715 -1.0715 -0.9258 -0.9258 -0.8443 -0.8443 -0.8053 -0.8053 -0.3131 -0.3131 -0.1090 -0.1090 0.3721 0.3721 0.6272 0.6272 0.8503 0.8503 0.8899 0.8899 1.0930 1.0930 1.3007 1.3007 1.4462 1.4462 1.5604 1.5604 5.7580 5.7580 5.8606 5.8606 6.8527 6.8527 6.8825 6.8825 7.7208 7.7208 7.7691 7.7691 8.8779 8.8780 k = 0.5000 0.3873 0.3437 ( 8172 PWs) bands (ev): -17.4812 -17.4812 -17.4811 -17.4811 -12.4259 -12.4259 -12.4257 -12.4257 -11.8347 -11.8347 -11.8327 -11.8327 -6.7547 -6.7547 -6.7535 -6.7535 -5.0140 -5.0140 -5.0026 -5.0026 -4.8061 -4.8061 -4.7993 -4.7993 -4.6236 -4.6236 -4.6180 -4.6180 -2.4891 -2.4891 -2.4628 -2.4628 -2.1688 -2.1688 -2.1340 -2.1340 -1.3032 -1.3032 -1.2010 -1.2010 -1.0723 -1.0723 -0.9268 -0.9268 -0.8440 -0.8440 -0.8072 -0.8072 -0.3110 -0.3110 -0.1059 -0.1059 0.3669 0.3669 0.6256 0.6256 0.8492 0.8492 0.8786 0.8786 1.1018 1.1018 1.3026 1.3026 1.4417 1.4417 1.5557 1.5557 5.7826 5.7826 5.8848 5.8848 6.8459 6.8459 6.8766 6.8766 7.7273 7.7273 7.7723 7.7723 8.8749 8.8749 k = 0.5000 0.3679 0.3437 ( 8172 PWs) bands (ev): -17.4825 -17.4825 -17.4824 -17.4824 -12.4278 -12.4278 -12.4277 -12.4277 -11.8361 -11.8361 -11.8341 -11.8341 -6.7578 -6.7578 -6.7565 -6.7565 -5.0092 -5.0092 -4.9981 -4.9981 -4.7946 -4.7946 -4.7883 -4.7883 -4.6176 -4.6176 -4.6111 -4.6111 -2.4938 -2.4938 -2.4681 -2.4681 -2.1650 -2.1650 -2.1305 -2.1305 -1.3067 -1.3067 -1.2034 -1.2034 -1.0727 -1.0727 -0.9283 -0.9283 -0.8441 -0.8441 -0.8094 -0.8094 -0.3081 -0.3081 -0.1034 -0.1034 0.3627 0.3627 0.6232 0.6232 0.8473 0.8473 0.8683 0.8683 1.1115 1.1115 1.3040 1.3040 1.4378 1.4378 1.5511 1.5511 5.8068 5.8068 5.9080 5.9080 6.8385 6.8385 6.8701 6.8701 7.7341 7.7341 7.7755 7.7755 8.8702 8.8702 k = 0.5000 0.3485 0.3437 ( 8168 PWs) bands (ev): -17.4838 -17.4838 -17.4837 -17.4837 -12.4298 -12.4298 -12.4297 -12.4297 -11.8375 -11.8375 -11.8356 -11.8356 -6.7608 -6.7608 -6.7596 -6.7596 -5.0045 -5.0045 -4.9938 -4.9938 -4.7845 -4.7845 -4.7783 -4.7783 -4.6100 -4.6100 -4.6026 -4.6026 -2.4985 -2.4985 -2.4735 -2.4735 -2.1612 -2.1612 -2.1272 -2.1272 -1.3100 -1.3100 -1.2060 -1.2060 -1.0728 -1.0728 -0.9300 -0.9300 -0.8447 -0.8447 -0.8117 -0.8117 -0.3045 -0.3045 -0.1016 -0.1016 0.3594 0.3594 0.6199 0.6199 0.8434 0.8434 0.8607 0.8607 1.1218 1.1218 1.3049 1.3049 1.4345 1.4345 1.5468 1.5468 5.8305 5.8305 5.9300 5.9300 6.8303 6.8303 6.8631 6.8631 7.7411 7.7411 7.7789 7.7789 8.8640 8.8640 k = 0.5000 0.3292 0.3437 ( 8178 PWs) bands (ev): -17.4850 -17.4850 -17.4849 -17.4849 -12.4318 -12.4318 -12.4317 -12.4317 -11.8389 -11.8389 -11.8370 -11.8370 -6.7638 -6.7638 -6.7626 -6.7626 -5.0000 -5.0000 -4.9898 -4.9898 -4.7761 -4.7761 -4.7696 -4.7696 -4.6008 -4.6008 -4.5924 -4.5924 -2.5032 -2.5032 -2.4790 -2.4790 -2.1576 -2.1576 -2.1242 -2.1242 -1.3130 -1.3130 -1.2090 -1.2090 -1.0726 -1.0726 -0.9321 -0.9321 -0.8458 -0.8458 -0.8141 -0.8141 -0.3002 -0.3002 -0.1006 -0.1006 0.3571 0.3571 0.6158 0.6158 0.8371 0.8371 0.8565 0.8565 1.1324 1.1324 1.3054 1.3054 1.4320 1.4320 1.5426 1.5426 5.8534 5.8534 5.9507 5.9507 6.8215 6.8215 6.8556 6.8556 7.7482 7.7482 7.7823 7.7823 8.8563 8.8563 k = 0.5000 0.3098 0.3437 ( 8176 PWs) bands (ev): -17.4863 -17.4863 -17.4862 -17.4862 -12.4337 -12.4337 -12.4336 -12.4336 -11.8402 -11.8402 -11.8383 -11.8383 -6.7667 -6.7667 -6.7656 -6.7656 -4.9957 -4.9957 -4.9859 -4.9859 -4.7693 -4.7693 -4.7623 -4.7623 -4.5899 -4.5899 -4.5808 -4.5808 -2.5078 -2.5078 -2.4846 -2.4846 -2.1541 -2.1541 -2.1215 -2.1215 -1.3156 -1.3156 -1.2123 -1.2123 -1.0720 -1.0720 -0.9344 -0.9344 -0.8475 -0.8475 -0.8165 -0.8165 -0.2953 -0.2953 -0.1002 -0.1002 0.3558 0.3558 0.6106 0.6106 0.8297 0.8297 0.8546 0.8546 1.1430 1.1430 1.3055 1.3055 1.4301 1.4301 1.5387 1.5387 5.8754 5.8754 5.9700 5.9700 6.8122 6.8122 6.8478 6.8478 7.7552 7.7552 7.7856 7.7856 8.8473 8.8473 k = 0.5000 0.2905 0.3437 ( 8182 PWs) bands (ev): -17.4875 -17.4875 -17.4874 -17.4874 -12.4357 -12.4357 -12.4355 -12.4355 -11.8415 -11.8415 -11.8397 -11.8397 -6.7696 -6.7696 -6.7684 -6.7684 -4.9916 -4.9916 -4.9822 -4.9822 -4.7639 -4.7639 -4.7564 -4.7564 -4.5774 -4.5774 -4.5679 -4.5679 -2.5125 -2.5125 -2.4902 -2.4902 -2.1508 -2.1508 -2.1191 -2.1191 -1.3178 -1.3178 -1.2159 -1.2159 -1.0710 -1.0710 -0.9371 -0.9371 -0.8496 -0.8496 -0.8189 -0.8189 -0.2897 -0.2897 -0.1006 -0.1006 0.3555 0.3555 0.6044 0.6044 0.8227 0.8227 0.8536 0.8536 1.1537 1.1537 1.3050 1.3050 1.4290 1.4290 1.5352 1.5352 5.8964 5.8964 5.9878 5.9878 6.8026 6.8026 6.8397 6.8397 7.7620 7.7620 7.7890 7.7890 8.8373 8.8373 k = 0.5000 0.2711 0.3437 ( 8186 PWs) bands (ev): -17.4886 -17.4886 -17.4886 -17.4886 -12.4375 -12.4375 -12.4374 -12.4374 -11.8428 -11.8428 -11.8410 -11.8410 -6.7723 -6.7723 -6.7712 -6.7712 -4.9877 -4.9877 -4.9787 -4.9787 -4.7598 -4.7598 -4.7519 -4.7519 -4.5638 -4.5638 -4.5541 -4.5541 -2.5170 -2.5170 -2.4957 -2.4957 -2.1476 -2.1476 -2.1171 -2.1171 -1.3196 -1.3196 -1.2198 -1.2198 -1.0697 -1.0697 -0.9401 -0.9401 -0.8522 -0.8522 -0.8213 -0.8213 -0.2836 -0.2836 -0.1017 -0.1017 0.3561 0.3561 0.5971 0.5971 0.8169 0.8169 0.8529 0.8529 1.1640 1.1640 1.3041 1.3041 1.4286 1.4286 1.5319 1.5319 5.9164 5.9164 6.0042 6.0042 6.7927 6.7927 6.8314 6.8314 7.7684 7.7684 7.7924 7.7924 8.8267 8.8267 k = 0.5000 0.2517 0.3437 ( 8182 PWs) bands (ev): -17.4898 -17.4898 -17.4897 -17.4897 -12.4393 -12.4393 -12.4392 -12.4392 -11.8439 -11.8439 -11.8422 -11.8422 -6.7750 -6.7750 -6.7739 -6.7739 -4.9839 -4.9839 -4.9755 -4.9755 -4.7567 -4.7567 -4.7486 -4.7486 -4.5494 -4.5494 -4.5396 -4.5396 -2.5215 -2.5215 -2.5012 -2.5012 -2.1446 -2.1446 -2.1154 -2.1154 -1.3209 -1.3209 -1.2240 -1.2240 -1.0680 -1.0680 -0.9435 -0.9435 -0.8550 -0.8550 -0.8236 -0.8236 -0.2771 -0.2771 -0.1035 -0.1035 0.3577 0.3577 0.5888 0.5888 0.8124 0.8124 0.8524 0.8524 1.1741 1.1741 1.3028 1.3028 1.4291 1.4291 1.5290 1.5290 5.9351 5.9351 6.0190 6.0190 6.7828 6.7828 6.8229 6.8229 7.7743 7.7743 7.7958 7.7958 8.8156 8.8156 k = 0.5000 0.2324 0.3437 ( 8174 PWs) bands (ev): -17.4908 -17.4908 -17.4908 -17.4908 -12.4410 -12.4410 -12.4409 -12.4409 -11.8450 -11.8450 -11.8434 -11.8434 -6.7775 -6.7775 -6.7765 -6.7765 -4.9803 -4.9803 -4.9724 -4.9724 -4.7545 -4.7545 -4.7463 -4.7463 -4.5344 -4.5344 -4.5249 -4.5249 -2.5258 -2.5258 -2.5066 -2.5066 -2.1418 -2.1418 -2.1140 -2.1140 -1.3218 -1.3218 -1.2284 -1.2284 -1.0660 -1.0660 -0.9473 -0.9473 -0.8579 -0.8579 -0.8259 -0.8259 -0.2701 -0.2701 -0.1060 -0.1060 0.3602 0.3602 0.5796 0.5796 0.8092 0.8092 0.8519 0.8519 1.1836 1.1836 1.3009 1.3009 1.4305 1.4305 1.5263 1.5263 5.9527 5.9527 6.0323 6.0323 6.7729 6.7729 6.8144 6.8144 7.7794 7.7794 7.7992 7.7992 8.8045 8.8045 k = 0.5000 0.2130 0.3437 ( 8172 PWs) bands (ev): -17.4919 -17.4919 -17.4918 -17.4918 -12.4426 -12.4426 -12.4425 -12.4425 -11.8461 -11.8461 -11.8446 -11.8446 -6.7798 -6.7798 -6.7789 -6.7789 -4.9769 -4.9769 -4.9695 -4.9695 -4.7529 -4.7529 -4.7448 -4.7448 -4.5194 -4.5194 -4.5102 -4.5102 -2.5299 -2.5299 -2.5118 -2.5118 -2.1391 -2.1391 -2.1130 -2.1130 -1.3223 -1.3223 -1.2331 -1.2331 -1.0636 -1.0636 -0.9514 -0.9514 -0.8609 -0.8609 -0.8282 -0.8282 -0.2629 -0.2629 -0.1092 -0.1092 0.3637 0.3637 0.5697 0.5697 0.8073 0.8073 0.8513 0.8513 1.1926 1.1926 1.2987 1.2987 1.4327 1.4327 1.5239 1.5239 5.9690 5.9690 6.0440 6.0440 6.7632 6.7632 6.8059 6.8059 7.7836 7.7836 7.8026 7.8026 8.7935 8.7935 k = 0.5000 0.1936 0.3437 ( 8180 PWs) bands (ev): -17.4928 -17.4928 -17.4927 -17.4927 -12.4442 -12.4442 -12.4441 -12.4441 -11.8470 -11.8470 -11.8456 -11.8456 -6.7820 -6.7820 -6.7811 -6.7811 -4.9737 -4.9737 -4.9669 -4.9669 -4.7519 -4.7519 -4.7440 -4.7440 -4.5046 -4.5046 -4.4959 -4.4959 -2.5339 -2.5339 -2.5168 -2.5168 -2.1367 -2.1367 -2.1122 -2.1122 -1.3223 -1.3223 -1.2379 -1.2379 -1.0609 -1.0609 -0.9559 -0.9559 -0.8636 -0.8636 -0.8305 -0.8305 -0.2553 -0.2553 -0.1129 -0.1129 0.3679 0.3679 0.5591 0.5591 0.8065 0.8065 0.8507 0.8507 1.2009 1.2009 1.2961 1.2961 1.4357 1.4357 1.5216 1.5216 5.9840 5.9840 6.0543 6.0543 6.7539 6.7539 6.7976 6.7976 7.7870 7.7870 7.8060 7.8060 8.7831 8.7831 k = 0.5000 0.1743 0.3437 ( 8194 PWs) bands (ev): -17.4937 -17.4937 -17.4936 -17.4936 -12.4456 -12.4456 -12.4455 -12.4455 -11.8479 -11.8479 -11.8466 -11.8466 -6.7840 -6.7840 -6.7832 -6.7832 -4.9708 -4.9708 -4.9645 -4.9645 -4.7511 -4.7511 -4.7436 -4.7436 -4.4903 -4.4903 -4.4823 -4.4823 -2.5376 -2.5376 -2.5215 -2.5215 -2.1344 -2.1344 -2.1117 -2.1117 -1.3218 -1.3218 -1.2428 -1.2428 -1.0578 -1.0578 -0.9609 -0.9609 -0.8661 -0.8661 -0.8328 -0.8328 -0.2476 -0.2476 -0.1173 -0.1173 0.3730 0.3730 0.5481 0.5481 0.8066 0.8066 0.8499 0.8499 1.2086 1.2086 1.2932 1.2932 1.4395 1.4395 1.5193 1.5193 5.9977 5.9977 6.0631 6.0631 6.7451 6.7451 6.7896 6.7896 7.7895 7.7895 7.8093 7.8093 8.7733 8.7733 k = 0.5000 0.1549 0.3437 ( 8196 PWs) bands (ev): -17.4945 -17.4945 -17.4944 -17.4944 -12.4469 -12.4469 -12.4468 -12.4468 -11.8487 -11.8487 -11.8475 -11.8475 -6.7859 -6.7859 -6.7851 -6.7851 -4.9681 -4.9681 -4.9624 -4.9624 -4.7507 -4.7507 -4.7435 -4.7435 -4.4768 -4.4768 -4.4695 -4.4695 -2.5410 -2.5410 -2.5259 -2.5259 -2.1322 -2.1322 -2.1115 -2.1115 -1.3208 -1.3208 -1.2479 -1.2479 -1.0543 -1.0543 -0.9662 -0.9662 -0.8682 -0.8682 -0.8351 -0.8351 -0.2397 -0.2397 -0.1222 -0.1222 0.3788 0.3788 0.5368 0.5368 0.8076 0.8076 0.8490 0.8490 1.2155 1.2155 1.2900 1.2900 1.4440 1.4440 1.5171 1.5171 6.0101 6.0101 6.0705 6.0705 6.7370 6.7370 6.7820 6.7820 7.7913 7.7913 7.8124 7.8124 8.7644 8.7644 k = 0.5000 0.1355 0.3437 ( 8192 PWs) bands (ev): -17.4952 -17.4952 -17.4952 -17.4952 -12.4480 -12.4480 -12.4480 -12.4480 -11.8494 -11.8494 -11.8483 -11.8483 -6.7875 -6.7875 -6.7868 -6.7868 -4.9656 -4.9656 -4.9605 -4.9605 -4.7504 -4.7504 -4.7437 -4.7437 -4.4643 -4.4643 -4.4577 -4.4577 -2.5440 -2.5440 -2.5300 -2.5300 -2.1302 -2.1302 -2.1115 -2.1115 -1.3195 -1.3195 -1.2530 -1.2530 -1.0505 -1.0505 -0.9718 -0.9718 -0.8699 -0.8699 -0.8374 -0.8374 -0.2316 -0.2316 -0.1276 -0.1276 0.3854 0.3854 0.5253 0.5253 0.8091 0.8091 0.8480 0.8480 1.2219 1.2219 1.2866 1.2866 1.4490 1.4490 1.5147 1.5147 6.0213 6.0213 6.0765 6.0765 6.7295 6.7295 6.7749 6.7749 7.7926 7.7926 7.8151 7.8151 8.7565 8.7565 k = 0.5000 0.1162 0.3437 ( 8206 PWs) bands (ev): -17.4959 -17.4959 -17.4958 -17.4958 -12.4491 -12.4491 -12.4490 -12.4490 -11.8500 -11.8500 -11.8491 -11.8491 -6.7889 -6.7889 -6.7883 -6.7883 -4.9633 -4.9633 -4.9589 -4.9589 -4.7503 -4.7503 -4.7441 -4.7441 -4.4530 -4.4530 -4.4472 -4.4472 -2.5468 -2.5468 -2.5336 -2.5336 -2.1284 -2.1284 -2.1117 -2.1117 -1.3177 -1.3177 -1.2581 -1.2581 -1.0463 -1.0463 -0.9777 -0.9777 -0.8712 -0.8712 -0.8395 -0.8395 -0.2235 -0.2235 -0.1334 -0.1334 0.3926 0.3926 0.5137 0.5137 0.8111 0.8111 0.8468 0.8468 1.2276 1.2276 1.2831 1.2831 1.4545 1.4545 1.5122 1.5122 6.0312 6.0312 6.0813 6.0813 6.7229 6.7229 6.7685 6.7685 7.7934 7.7934 7.8174 7.8174 8.7497 8.7497 k = 0.5000 0.0968 0.3437 ( 8214 PWs) bands (ev): -17.4964 -17.4964 -17.4964 -17.4964 -12.4499 -12.4499 -12.4499 -12.4499 -11.8505 -11.8505 -11.8497 -11.8497 -6.7901 -6.7901 -6.7896 -6.7896 -4.9614 -4.9614 -4.9576 -4.9576 -4.7502 -4.7502 -4.7445 -4.7445 -4.4430 -4.4430 -4.4382 -4.4382 -2.5491 -2.5491 -2.5368 -2.5368 -2.1267 -2.1267 -2.1120 -2.1120 -1.3156 -1.3156 -1.2630 -1.2630 -1.0418 -1.0418 -0.9838 -0.9838 -0.8722 -0.8722 -0.8416 -0.8416 -0.2154 -0.2154 -0.1396 -0.1396 0.4004 0.4004 0.5021 0.5021 0.8133 0.8133 0.8455 0.8455 1.2329 1.2329 1.2795 1.2795 1.4602 1.4602 1.5094 1.5094 6.0398 6.0398 6.0849 6.0849 6.7172 6.7172 6.7628 6.7628 7.7939 7.7939 7.8193 7.8193 8.7440 8.7440 k = 0.5000 0.0775 0.3437 ( 8214 PWs) bands (ev): -17.4968 -17.4968 -17.4968 -17.4968 -12.4507 -12.4507 -12.4506 -12.4506 -11.8509 -11.8509 -11.8502 -11.8502 -6.7911 -6.7911 -6.7907 -6.7907 -4.9597 -4.9597 -4.9565 -4.9565 -4.7501 -4.7501 -4.7450 -4.7450 -4.4346 -4.4346 -4.4307 -4.4307 -2.5511 -2.5511 -2.5395 -2.5395 -2.1252 -2.1252 -2.1125 -2.1125 -1.3133 -1.3133 -1.2678 -1.2678 -1.0370 -1.0370 -0.9900 -0.9900 -0.8728 -0.8728 -0.8434 -0.8434 -0.2073 -0.2073 -0.1462 -0.1462 0.4088 0.4088 0.4906 0.4906 0.8157 0.8157 0.8441 0.8441 1.2376 1.2376 1.2759 1.2759 1.4660 1.4660 1.5062 1.5062 6.0471 6.0471 6.0875 6.0875 6.7125 6.7125 6.7579 6.7579 7.7941 7.7941 7.8207 7.8207 8.7395 8.7395 k = 0.5000 0.0581 0.3437 ( 8220 PWs) bands (ev): -17.4972 -17.4972 -17.4972 -17.4972 -12.4512 -12.4512 -12.4512 -12.4512 -11.8511 -11.8511 -11.8507 -11.8507 -6.7919 -6.7919 -6.7916 -6.7916 -4.9583 -4.9583 -4.9558 -4.9558 -4.7500 -4.7500 -4.7454 -4.7454 -4.4278 -4.4278 -4.4248 -4.4248 -2.5526 -2.5526 -2.5417 -2.5417 -2.1239 -2.1239 -2.1130 -2.1130 -1.3109 -1.3109 -1.2721 -1.2721 -1.0319 -1.0319 -0.9962 -0.9962 -0.8731 -0.8731 -0.8449 -0.8449 -0.1992 -0.1992 -0.1531 -0.1531 0.4176 0.4176 0.4793 0.4793 0.8179 0.8179 0.8427 0.8427 1.2417 1.2417 1.2725 1.2725 1.4718 1.4718 1.5028 1.5028 6.0529 6.0529 6.0892 6.0892 6.7088 6.7088 6.7541 6.7541 7.7942 7.7942 7.8218 7.8218 8.7360 8.7360 k = 0.5000 0.0387 0.3437 ( 8224 PWs) bands (ev): -17.4975 -17.4975 -17.4974 -17.4974 -12.4517 -12.4517 -12.4516 -12.4516 -11.8513 -11.8513 -11.8510 -11.8510 -6.7925 -6.7925 -6.7922 -6.7922 -4.9572 -4.9572 -4.9553 -4.9553 -4.7500 -4.7500 -4.7458 -4.7458 -4.4228 -4.4228 -4.4207 -4.4207 -2.5537 -2.5537 -2.5432 -2.5432 -2.1228 -2.1228 -2.1135 -2.1135 -1.3086 -1.3086 -1.2757 -1.2757 -1.0266 -1.0266 -1.0024 -1.0024 -0.8733 -0.8733 -0.8461 -0.8461 -0.1912 -0.1912 -0.1602 -0.1602 0.4270 0.4270 0.4683 0.4683 0.8199 0.8199 0.8414 0.8414 1.2453 1.2453 1.2694 1.2694 1.4774 1.4774 1.4990 1.4990 6.0573 6.0573 6.0902 6.0902 6.7061 6.7061 6.7513 6.7513 7.7942 7.7942 7.8226 7.8226 8.7337 8.7337 k = 0.5000 0.0194 0.3437 ( 8228 PWs) bands (ev): -17.4976 -17.4976 -17.4976 -17.4976 -12.4519 -12.4519 -12.4519 -12.4519 -11.8514 -11.8514 -11.8513 -11.8513 -6.7928 -6.7928 -6.7925 -6.7925 -4.9565 -4.9565 -4.9551 -4.9551 -4.7499 -4.7499 -4.7461 -4.7461 -4.4195 -4.4195 -4.4184 -4.4184 -2.5544 -2.5544 -2.5442 -2.5442 -2.1221 -2.1221 -2.1139 -2.1139 -1.3070 -1.3070 -1.2782 -1.2782 -1.0211 -1.0211 -1.0085 -1.0085 -0.8734 -0.8734 -0.8469 -0.8469 -0.1834 -0.1834 -0.1675 -0.1675 0.4368 0.4368 0.4574 0.4574 0.8212 0.8212 0.8404 0.8404 1.2479 1.2479 1.2670 1.2670 1.4823 1.4823 1.4952 1.4952 6.0600 6.0600 6.0907 6.0907 6.7045 6.7045 6.7495 6.7495 7.7942 7.7942 7.8230 7.8230 8.7323 8.7323 k = 0.5000-0.0000 0.3437 ( 8232 PWs) bands (ev): -17.4977 -17.4977 -17.4976 -17.4976 -12.4520 -12.4520 -12.4520 -12.4520 -11.8514 -11.8514 -11.8514 -11.8514 -6.7929 -6.7929 -6.7927 -6.7927 -4.9562 -4.9562 -4.9551 -4.9551 -4.7499 -4.7499 -4.7461 -4.7461 -4.4182 -4.4182 -4.4178 -4.4178 -2.5546 -2.5546 -2.5445 -2.5445 -2.1219 -2.1219 -2.1141 -2.1141 -1.3063 -1.3063 -1.2791 -1.2791 -1.0170 -1.0170 -1.0128 -1.0128 -0.8734 -0.8734 -0.8471 -0.8471 -0.1773 -0.1773 -0.1735 -0.1735 0.4466 0.4466 0.4473 0.4473 0.8217 0.8217 0.8401 0.8401 1.2489 1.2489 1.2661 1.2661 1.4850 1.4850 1.4929 1.4929 6.0609 6.0609 6.0908 6.0908 6.7040 6.7040 6.7490 6.7490 7.7942 7.7942 7.8231 7.8231 8.7318 8.7318 k = 0.5000-0.0000 0.3437 ( 8232 PWs) bands (ev): -17.4977 -17.4977 -17.4976 -17.4976 -12.4520 -12.4520 -12.4520 -12.4520 -11.8514 -11.8514 -11.8514 -11.8514 -6.7929 -6.7929 -6.7927 -6.7927 -4.9562 -4.9562 -4.9551 -4.9551 -4.7499 -4.7499 -4.7461 -4.7461 -4.4182 -4.4182 -4.4178 -4.4178 -2.5546 -2.5546 -2.5445 -2.5445 -2.1219 -2.1219 -2.1141 -2.1141 -1.3063 -1.3063 -1.2791 -1.2791 -1.0170 -1.0170 -1.0128 -1.0128 -0.8734 -0.8734 -0.8471 -0.8471 -0.1773 -0.1773 -0.1735 -0.1735 0.4466 0.4466 0.4473 0.4473 0.8217 0.8217 0.8401 0.8401 1.2489 1.2489 1.2661 1.2661 1.4850 1.4850 1.4929 1.4929 6.0609 6.0609 6.0908 6.0908 6.7040 6.7040 6.7490 6.7490 7.7942 7.7942 7.8231 7.8231 8.7318 8.7318 k = 0.5000-0.0000 0.3246 ( 8226 PWs) bands (ev): -17.4977 -17.4977 -17.4976 -17.4976 -12.4519 -12.4519 -12.4518 -12.4518 -11.8516 -11.8516 -11.8516 -11.8516 -6.7924 -6.7924 -6.7921 -6.7921 -4.9575 -4.9575 -4.9556 -4.9556 -4.7501 -4.7501 -4.7458 -4.7458 -4.4184 -4.4184 -4.4178 -4.4178 -2.5542 -2.5542 -2.5440 -2.5440 -2.1225 -2.1225 -2.1146 -2.1146 -1.3063 -1.3063 -1.2788 -1.2788 -1.0183 -1.0183 -1.0107 -1.0107 -0.8731 -0.8731 -0.8467 -0.8467 -0.1774 -0.1774 -0.1733 -0.1733 0.4460 0.4460 0.4478 0.4478 0.8215 0.8215 0.8400 0.8400 1.2483 1.2483 1.2657 1.2657 1.4851 1.4851 1.4935 1.4935 6.0614 6.0614 6.0914 6.0914 6.7042 6.7042 6.7491 6.7491 7.7919 7.7919 7.8218 7.8218 8.7321 8.7321 k = 0.5000-0.0000 0.3055 ( 8216 PWs) bands (ev): -17.4977 -17.4977 -17.4976 -17.4976 -12.4515 -12.4515 -12.4514 -12.4514 -11.8522 -11.8522 -11.8521 -11.8521 -6.7909 -6.7909 -6.7906 -6.7906 -4.9608 -4.9608 -4.9576 -4.9576 -4.7503 -4.7503 -4.7448 -4.7448 -4.4187 -4.4187 -4.4179 -4.4179 -2.5530 -2.5530 -2.5426 -2.5426 -2.1243 -2.1243 -2.1160 -2.1160 -1.3062 -1.3062 -1.2779 -1.2779 -1.0201 -1.0201 -1.0070 -1.0070 -0.8723 -0.8723 -0.8453 -0.8453 -0.1774 -0.1774 -0.1728 -0.1728 0.4450 0.4450 0.4484 0.4484 0.8209 0.8209 0.8397 0.8397 1.2464 1.2464 1.2646 1.2646 1.4856 1.4856 1.4950 1.4950 6.0629 6.0629 6.0930 6.0930 6.7049 6.7049 6.7496 6.7496 7.7853 7.7853 7.8177 7.8177 8.7328 8.7328 k = 0.5000-0.0000 0.2864 ( 8206 PWs) bands (ev): -17.4977 -17.4977 -17.4976 -17.4976 -12.4508 -12.4508 -12.4508 -12.4508 -11.8531 -11.8531 -11.8530 -11.8530 -6.7883 -6.7883 -6.7880 -6.7880 -4.9657 -4.9657 -4.9613 -4.9613 -4.7504 -4.7504 -4.7436 -4.7436 -4.4191 -4.4191 -4.4180 -4.4180 -2.5511 -2.5511 -2.5404 -2.5404 -2.1271 -2.1271 -2.1183 -2.1183 -1.3059 -1.3059 -1.2765 -1.2765 -1.0214 -1.0214 -1.0025 -1.0025 -0.8709 -0.8709 -0.8431 -0.8431 -0.1775 -0.1775 -0.1721 -0.1721 0.4439 0.4439 0.4489 0.4489 0.8199 0.8199 0.8392 0.8392 1.2434 1.2434 1.2628 1.2628 1.4866 1.4866 1.4973 1.4973 6.0654 6.0654 6.0957 6.0957 6.7060 6.7060 6.7503 6.7503 7.7750 7.7750 7.8108 7.8108 8.7341 8.7341 k = 0.5000-0.0000 0.2673 ( 8206 PWs) bands (ev): -17.4977 -17.4977 -17.4976 -17.4976 -12.4499 -12.4499 -12.4499 -12.4499 -11.8543 -11.8543 -11.8543 -11.8543 -6.7849 -6.7849 -6.7846 -6.7846 -4.9721 -4.9721 -4.9667 -4.9667 -4.7503 -4.7503 -4.7423 -4.7423 -4.4196 -4.4196 -4.4183 -4.4183 -2.5484 -2.5484 -2.5373 -2.5373 -2.1310 -2.1310 -2.1216 -2.1216 -1.3054 -1.3054 -1.2748 -1.2748 -1.0221 -1.0221 -0.9976 -0.9976 -0.8689 -0.8689 -0.8401 -0.8401 -0.1775 -0.1775 -0.1713 -0.1713 0.4427 0.4427 0.4493 0.4493 0.8185 0.8185 0.8384 0.8384 1.2395 1.2395 1.2603 1.2603 1.4882 1.4882 1.5001 1.5001 6.0688 6.0688 6.0993 6.0993 6.7075 6.7075 6.7513 6.7513 7.7616 7.7616 7.8012 7.8012 8.7359 8.7359 k = 0.5000-0.0000 0.2482 ( 8206 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4488 -12.4488 -12.4488 -12.4488 -11.8559 -11.8559 -11.8558 -11.8558 -6.7806 -6.7806 -6.7803 -6.7803 -4.9796 -4.9796 -4.9736 -4.9736 -4.7498 -4.7498 -4.7409 -4.7409 -4.4203 -4.4203 -4.4187 -4.4187 -2.5450 -2.5450 -2.5335 -2.5335 -2.1358 -2.1358 -2.1257 -2.1257 -1.3047 -1.3047 -1.2729 -1.2729 -1.0221 -1.0221 -0.9925 -0.9925 -0.8663 -0.8663 -0.8364 -0.8364 -0.1773 -0.1773 -0.1703 -0.1703 0.4415 0.4415 0.4495 0.4495 0.8169 0.8169 0.8375 0.8375 1.2349 1.2349 1.2570 1.2570 1.4903 1.4903 1.5032 1.5032 6.0730 6.0730 6.1037 6.1037 6.7093 6.7093 6.7524 6.7524 7.7460 7.7460 7.7891 7.7891 8.7382 8.7382 k = 0.5000-0.0000 0.2291 ( 8194 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4475 -12.4475 -12.4475 -12.4475 -11.8576 -11.8576 -11.8576 -11.8576 -6.7757 -6.7757 -6.7753 -6.7753 -4.9882 -4.9882 -4.9817 -4.9817 -4.7492 -4.7492 -4.7396 -4.7396 -4.4209 -4.4209 -4.4192 -4.4192 -2.5410 -2.5410 -2.5291 -2.5291 -2.1412 -2.1412 -2.1306 -2.1306 -1.3038 -1.3038 -1.2709 -1.2709 -1.0215 -1.0215 -0.9873 -0.9873 -0.8629 -0.8629 -0.8322 -0.8322 -0.1770 -0.1770 -0.1693 -0.1693 0.4403 0.4403 0.4497 0.4497 0.8150 0.8150 0.8364 0.8364 1.2298 1.2298 1.2532 1.2532 1.4928 1.4928 1.5066 1.5066 6.0780 6.0780 6.1087 6.1087 6.7114 6.7114 6.7535 6.7535 7.7290 7.7290 7.7749 7.7749 8.7409 8.7409 k = 0.5000-0.0000 0.2100 ( 8198 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4461 -12.4461 -12.4461 -12.4461 -11.8596 -11.8596 -11.8596 -11.8596 -6.7701 -6.7701 -6.7698 -6.7698 -4.9975 -4.9975 -4.9908 -4.9908 -4.7483 -4.7483 -4.7384 -4.7384 -4.4217 -4.4217 -4.4197 -4.4197 -2.5364 -2.5364 -2.5242 -2.5242 -2.1472 -2.1472 -2.1361 -2.1361 -1.3026 -1.3026 -1.2689 -1.2689 -1.0205 -1.0205 -0.9823 -0.9823 -0.8590 -0.8590 -0.8276 -0.8276 -0.1765 -0.1765 -0.1682 -0.1682 0.4390 0.4390 0.4497 0.4497 0.8129 0.8129 0.8351 0.8351 1.2245 1.2245 1.2489 1.2489 1.4958 1.4958 1.5099 1.5099 6.0837 6.0837 6.1142 6.1142 6.7137 6.7137 6.7546 6.7546 7.7112 7.7112 7.7591 7.7591 8.7439 8.7439 k = 0.5000-0.0000 0.1909 ( 8204 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4446 -12.4446 -12.4446 -12.4446 -11.8617 -11.8617 -11.8617 -11.8617 -6.7642 -6.7642 -6.7638 -6.7638 -5.0073 -5.0073 -5.0006 -5.0006 -4.7472 -4.7472 -4.7373 -4.7373 -4.4225 -4.4225 -4.4204 -4.4204 -2.5314 -2.5314 -2.5190 -2.5190 -2.1537 -2.1537 -2.1422 -2.1422 -1.3012 -1.3012 -1.2670 -1.2670 -1.0190 -1.0190 -0.9776 -0.9776 -0.8544 -0.8544 -0.8228 -0.8228 -0.1759 -0.1759 -0.1672 -0.1672 0.4378 0.4378 0.4495 0.4495 0.8107 0.8107 0.8337 0.8337 1.2190 1.2190 1.2443 1.2443 1.4989 1.4989 1.5132 1.5132 6.0899 6.0899 6.1200 6.1200 6.7162 6.7162 6.7555 6.7555 7.6935 7.6935 7.7423 7.7423 8.7471 8.7471 k = 0.5000-0.0000 0.1719 ( 8212 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4430 -12.4430 -12.4430 -12.4430 -11.8639 -11.8639 -11.8639 -11.8639 -6.7580 -6.7580 -6.7576 -6.7576 -5.0173 -5.0173 -5.0109 -5.0109 -4.7460 -4.7460 -4.7364 -4.7364 -4.4232 -4.4232 -4.4211 -4.4211 -2.5260 -2.5260 -2.5135 -2.5135 -2.1603 -2.1603 -2.1487 -2.1487 -1.2997 -1.2997 -1.2652 -1.2652 -1.0172 -1.0172 -0.9733 -0.9733 -0.8492 -0.8492 -0.8180 -0.8180 -0.1751 -0.1751 -0.1662 -0.1662 0.4367 0.4367 0.4493 0.4493 0.8085 0.8085 0.8322 0.8322 1.2136 1.2136 1.2396 1.2396 1.5022 1.5022 1.5164 1.5164 6.0964 6.0964 6.1257 6.1257 6.7187 6.7187 6.7561 6.7561 7.6764 7.6764 7.7250 7.7250 8.7505 8.7505 k = 0.5000-0.0000 0.1528 ( 8218 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4415 -12.4415 -12.4414 -12.4414 -11.8662 -11.8662 -11.8661 -11.8661 -6.7517 -6.7517 -6.7514 -6.7514 -5.0272 -5.0272 -5.0212 -5.0212 -4.7447 -4.7447 -4.7356 -4.7356 -4.4240 -4.4240 -4.4218 -4.4218 -2.5203 -2.5203 -2.5080 -2.5080 -2.1669 -2.1669 -2.1554 -2.1554 -1.2980 -1.2980 -1.2637 -1.2637 -1.0151 -1.0151 -0.9696 -0.9696 -0.8437 -0.8437 -0.8132 -0.8132 -0.1741 -0.1741 -0.1654 -0.1654 0.4356 0.4356 0.4490 0.4490 0.8063 0.8063 0.8306 0.8306 1.2083 1.2083 1.2350 1.2350 1.5056 1.5056 1.5193 1.5193 6.1033 6.1033 6.1313 6.1313 6.7213 6.7213 6.7564 6.7564 7.6605 7.6605 7.7077 7.7077 8.7540 8.7540 k = 0.5000-0.0000 0.1337 ( 8212 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4399 -12.4399 -12.4399 -12.4399 -11.8683 -11.8683 -11.8683 -11.8683 -6.7456 -6.7456 -6.7453 -6.7453 -5.0367 -5.0367 -5.0313 -5.0313 -4.7433 -4.7433 -4.7349 -4.7349 -4.4247 -4.4247 -4.4226 -4.4226 -2.5146 -2.5146 -2.5026 -2.5026 -2.1733 -2.1733 -2.1622 -2.1622 -1.2963 -1.2963 -1.2624 -1.2624 -1.0129 -1.0129 -0.9664 -0.9664 -0.8379 -0.8379 -0.8088 -0.8088 -0.1730 -0.1730 -0.1646 -0.1646 0.4346 0.4346 0.4487 0.4487 0.8041 0.8041 0.8290 0.8290 1.2034 1.2034 1.2305 1.2305 1.5088 1.5088 1.5219 1.5219 6.1102 6.1102 6.1365 6.1365 6.7240 6.7240 6.7563 6.7563 7.6463 7.6463 7.6909 7.6909 8.7576 8.7576 k = 0.5000-0.0000 0.1146 ( 8198 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4384 -12.4384 -12.4384 -12.4384 -11.8703 -11.8703 -11.8703 -11.8703 -6.7398 -6.7398 -6.7395 -6.7395 -5.0456 -5.0456 -5.0408 -5.0408 -4.7420 -4.7420 -4.7345 -4.7345 -4.4253 -4.4253 -4.4233 -4.4233 -2.5089 -2.5089 -2.4974 -2.4974 -2.1793 -2.1793 -2.1688 -2.1688 -1.2947 -1.2947 -1.2612 -1.2612 -1.0107 -1.0107 -0.9638 -0.9638 -0.8320 -0.8320 -0.8048 -0.8048 -0.1718 -0.1718 -0.1640 -0.1640 0.4337 0.4337 0.4483 0.4483 0.8021 0.8021 0.8275 0.8275 1.1988 1.1988 1.2264 1.2264 1.5119 1.5119 1.5242 1.5242 6.1171 6.1171 6.1411 6.1411 6.7267 6.7267 6.7557 6.7557 7.6341 7.6341 7.6749 7.6749 8.7612 8.7612 k = 0.5000-0.0000 0.0955 ( 8196 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4371 -12.4371 -12.4370 -12.4370 -11.8722 -11.8722 -11.8722 -11.8722 -6.7345 -6.7345 -6.7342 -6.7342 -5.0535 -5.0535 -5.0495 -5.0495 -4.7407 -4.7407 -4.7342 -4.7342 -4.4259 -4.4259 -4.4239 -4.4239 -2.5036 -2.5036 -2.4928 -2.4928 -2.1847 -2.1847 -2.1750 -2.1750 -1.2932 -1.2932 -1.2603 -1.2603 -1.0086 -1.0086 -0.9617 -0.9617 -0.8264 -0.8264 -0.8014 -0.8014 -0.1706 -0.1706 -0.1636 -0.1636 0.4330 0.4330 0.4479 0.4479 0.8004 0.8004 0.8261 0.8261 1.1948 1.1948 1.2227 1.2227 1.5146 1.5146 1.5262 1.5262 6.1236 6.1236 6.1448 6.1448 6.7294 6.7294 6.7547 6.7547 7.6242 7.6242 7.6602 7.6602 8.7648 8.7648 k = 0.5000-0.0000 0.0764 ( 8200 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4359 -12.4359 -12.4359 -12.4359 -11.8738 -11.8738 -11.8738 -11.8738 -6.7299 -6.7299 -6.7297 -6.7297 -5.0604 -5.0604 -5.0571 -5.0571 -4.7394 -4.7394 -4.7341 -4.7341 -4.4264 -4.4264 -4.4245 -4.4245 -2.4987 -2.4987 -2.4888 -2.4888 -2.1893 -2.1893 -2.1807 -2.1807 -1.2918 -1.2918 -1.2597 -1.2597 -1.0067 -1.0067 -0.9601 -0.9601 -0.8213 -0.8213 -0.7986 -0.7986 -0.1693 -0.1693 -0.1633 -0.1633 0.4324 0.4324 0.4475 0.4475 0.7989 0.7989 0.8248 0.8248 1.1914 1.1914 1.2195 1.2195 1.5170 1.5170 1.5277 1.5277 6.1298 6.1298 6.1477 6.1477 6.7321 6.7321 6.7532 6.7532 7.6168 7.6168 7.6470 7.6470 8.7684 8.7685 k = 0.5000-0.0000 0.0573 ( 8192 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4350 -12.4350 -12.4349 -12.4349 -11.8751 -11.8751 -11.8751 -11.8751 -6.7261 -6.7261 -6.7259 -6.7259 -5.0658 -5.0658 -5.0633 -5.0633 -4.7382 -4.7382 -4.7342 -4.7342 -4.4268 -4.4268 -4.4250 -4.4250 -2.4945 -2.4945 -2.4856 -2.4856 -2.1929 -2.1929 -2.1855 -2.1855 -1.2907 -1.2907 -1.2591 -1.2591 -1.0050 -1.0050 -0.9590 -0.9590 -0.8169 -0.8169 -0.7965 -0.7965 -0.1681 -0.1681 -0.1633 -0.1633 0.4320 0.4320 0.4472 0.4472 0.7976 0.7976 0.8237 0.8237 1.1887 1.1887 1.2169 1.2169 1.5190 1.5190 1.5289 1.5289 6.1352 6.1352 6.1495 6.1495 6.7349 6.7349 6.7513 6.7513 7.6118 7.6118 7.6356 7.6356 8.7720 8.7720 k = 0.5000-0.0000 0.0382 ( 8190 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4343 -12.4343 -12.4342 -12.4342 -11.8760 -11.8760 -11.8760 -11.8760 -6.7233 -6.7233 -6.7232 -6.7232 -5.0697 -5.0697 -5.0680 -5.0680 -4.7372 -4.7372 -4.7344 -4.7344 -4.4271 -4.4271 -4.4253 -4.4253 -2.4913 -2.4913 -2.4833 -2.4833 -2.1954 -2.1954 -2.1893 -2.1893 -1.2899 -1.2899 -1.2588 -1.2588 -1.0038 -1.0038 -0.9583 -0.9583 -0.8134 -0.8134 -0.7952 -0.7952 -0.1670 -0.1670 -0.1636 -0.1636 0.4317 0.4317 0.4470 0.4470 0.7967 0.7967 0.8230 0.8230 1.1867 1.1867 1.2151 1.2151 1.5205 1.5205 1.5297 1.5297 6.1399 6.1399 6.1503 6.1503 6.7376 6.7376 6.7492 6.7492 7.6094 7.6094 7.6262 7.6262 8.7753 8.7753 k = 0.5000-0.0000 0.0191 ( 8196 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4338 -12.4338 -12.4338 -12.4338 -11.8766 -11.8766 -11.8766 -11.8766 -6.7216 -6.7216 -6.7215 -6.7215 -5.0720 -5.0720 -5.0711 -5.0711 -4.7363 -4.7363 -4.7349 -4.7349 -4.4273 -4.4273 -4.4256 -4.4256 -2.4892 -2.4892 -2.4820 -2.4820 -2.1969 -2.1969 -2.1918 -2.1918 -1.2894 -1.2894 -1.2586 -1.2586 -1.0030 -1.0030 -0.9578 -0.9578 -0.8112 -0.8112 -0.7944 -0.7944 -0.1661 -0.1661 -0.1639 -0.1639 0.4315 0.4315 0.4468 0.4468 0.7962 0.7962 0.8225 0.8225 1.1855 1.1855 1.2139 1.2139 1.5214 1.5214 1.5302 1.5302 6.1433 6.1433 6.1501 6.1501 6.7402 6.7402 6.7470 6.7470 7.6092 7.6092 7.6193 7.6193 8.7783 8.7783 k = 0.5000-0.0000-0.0000 ( 8198 PWs) bands (ev): -17.4977 -17.4977 -17.4977 -17.4977 -12.4337 -12.4337 -12.4337 -12.4337 -11.8768 -11.8768 -11.8768 -11.8768 -6.7210 -6.7210 -6.7210 -6.7210 -5.0726 -5.0726 -5.0722 -5.0722 -4.7355 -4.7355 -4.7355 -4.7355 -4.4274 -4.4274 -4.4256 -4.4256 -2.4885 -2.4885 -2.4815 -2.4815 -2.1974 -2.1974 -2.1926 -2.1926 -1.2892 -1.2892 -1.2586 -1.2586 -1.0027 -1.0027 -0.9577 -0.9577 -0.8104 -0.8104 -0.7942 -0.7942 -0.1656 -0.1656 -0.1642 -0.1642 0.4314 0.4314 0.4467 0.4467 0.7960 0.7960 0.8223 0.8223 1.1851 1.1851 1.2136 1.2136 1.5217 1.5217 1.5304 1.5304 6.1448 6.1448 6.1497 6.1497 6.7416 6.7416 6.7456 6.7456 7.6100 7.6100 7.6161 7.6161 8.7802 8.7803 k = 0.0000 0.0000 0.3437 ( 8170 PWs) bands (ev): -17.5016 -17.5016 -17.4953 -17.4953 -12.5328 -12.5328 -12.3905 -12.3905 -11.8672 -11.8672 -11.7968 -11.7968 -6.8426 -6.8426 -6.7330 -6.7330 -5.0681 -5.0681 -4.8981 -4.8981 -4.8554 -4.8554 -4.7098 -4.7098 -4.4328 -4.4328 -4.4278 -4.4278 -2.3989 -2.3989 -2.3148 -2.3148 -2.2880 -2.2880 -2.1999 -2.1999 -1.3535 -1.3535 -1.1567 -1.1567 -1.0497 -1.0497 -0.9889 -0.9889 -0.9211 -0.9211 -0.8477 -0.8477 -0.2046 -0.2046 -0.1489 -0.1489 0.0525 0.0525 0.6526 0.6526 0.7407 0.7407 1.0714 1.0714 1.1696 1.1696 1.4145 1.4145 1.4903 1.4903 1.6896 1.6896 5.3170 5.3170 6.2799 6.2799 6.6476 6.6476 6.9101 6.9101 7.4303 7.4303 7.8913 7.8913 8.8832 8.8832 k = 0.0192-0.0000 0.3437 ( 8180 PWs) bands (ev): -17.5016 -17.5016 -17.4953 -17.4953 -12.5327 -12.5326 -12.3906 -12.3906 -11.8673 -11.8673 -11.7969 -11.7969 -6.8425 -6.8425 -6.7331 -6.7331 -5.0680 -5.0677 -4.8981 -4.8979 -4.8554 -4.8553 -4.7098 -4.7096 -4.4327 -4.4327 -4.4278 -4.4277 -2.4018 -2.3981 -2.3208 -2.3182 -2.2850 -2.2821 -2.2012 -2.1971 -1.3541 -1.3529 -1.1594 -1.1544 -1.0505 -1.0493 -0.9896 -0.9880 -0.9236 -0.9185 -0.8484 -0.8469 -0.2048 -0.2042 -0.1493 -0.1486 0.0532 0.0534 0.6521 0.6523 0.7406 0.7411 1.0699 1.0721 1.1695 1.1696 1.4145 1.4145 1.4899 1.4905 1.6875 1.6900 5.3176 5.3194 6.2790 6.2830 6.6468 6.6477 6.9086 6.9106 7.4295 7.4320 7.8916 7.8916 8.8823 8.8828 k = 0.0385-0.0000 0.3437 ( 8180 PWs) bands (ev): -17.5015 -17.5015 -17.4953 -17.4953 -12.5322 -12.5322 -12.3909 -12.3909 -11.8673 -11.8673 -11.7973 -11.7973 -6.8423 -6.8422 -6.7335 -6.7335 -5.0673 -5.0668 -4.8979 -4.8975 -4.8553 -4.8550 -4.7099 -4.7095 -4.4326 -4.4326 -4.4277 -4.4276 -2.4065 -2.3993 -2.3310 -2.3280 -2.2761 -2.2726 -2.2007 -2.1928 -1.3546 -1.3522 -1.1623 -1.1524 -1.0518 -1.0495 -0.9901 -0.9868 -0.9257 -0.9158 -0.8490 -0.8459 -0.2047 -0.2035 -0.1499 -0.1485 0.0554 0.0558 0.6511 0.6514 0.7408 0.7417 1.0676 1.0720 1.1691 1.1695 1.4143 1.4143 1.4893 1.4906 1.6835 1.6887 5.3210 5.3247 6.2804 6.2884 6.6452 6.6470 6.9061 6.9101 7.4298 7.4348 7.8925 7.8926 8.8803 8.8812 k = 0.0577-0.0000 0.3437 ( 8176 PWs) bands (ev): -17.5015 -17.5015 -17.4954 -17.4954 -12.5314 -12.5314 -12.3913 -12.3913 -11.8674 -11.8674 -11.7979 -11.7979 -6.8419 -6.8418 -6.7341 -6.7341 -5.0661 -5.0654 -4.8975 -4.8969 -4.8551 -4.8546 -4.7098 -4.7092 -4.4324 -4.4324 -4.4275 -4.4274 -2.4127 -2.4025 -2.3424 -2.3398 -2.2658 -2.2624 -2.1985 -2.1875 -1.3551 -1.3515 -1.1655 -1.1509 -1.0534 -1.0499 -0.9904 -0.9855 -0.9274 -0.9131 -0.8493 -0.8450 -0.2043 -0.2027 -0.1506 -0.1486 0.0592 0.0597 0.6494 0.6499 0.7413 0.7426 1.0645 1.0711 1.1687 1.1691 1.4139 1.4140 1.4887 1.4906 1.6779 1.6856 5.3273 5.3329 6.2840 6.2960 6.6428 6.6453 6.9028 6.9084 7.4311 7.4386 7.8942 7.8943 8.8770 8.8783 k = 0.0769-0.0000 0.3437 ( 8172 PWs) bands (ev): -17.5014 -17.5014 -17.4954 -17.4954 -12.5303 -12.5303 -12.3919 -12.3919 -11.8675 -11.8675 -11.7987 -11.7987 -6.8413 -6.8412 -6.7349 -6.7349 -5.0644 -5.0635 -4.8970 -4.8963 -4.8546 -4.8539 -4.7098 -4.7090 -4.4321 -4.4321 -4.4273 -4.4272 -2.4200 -2.4075 -2.3543 -2.3524 -2.2551 -2.2523 -2.1948 -2.1813 -1.3556 -1.3507 -1.1690 -1.1499 -1.0552 -1.0506 -0.9906 -0.9841 -0.9287 -0.9105 -0.8493 -0.8441 -0.2037 -0.2016 -0.1514 -0.1488 0.0645 0.0652 0.6471 0.6477 0.7421 0.7437 1.0605 1.0692 1.1682 1.1687 1.4134 1.4134 1.4878 1.4904 1.6707 1.6808 5.3365 5.3439 6.2898 6.3056 6.6397 6.6427 6.8988 6.9057 7.4334 7.4434 7.8964 7.8966 8.8725 8.8741 k = 0.0962-0.0000 0.3437 ( 8178 PWs) bands (ev): -17.5014 -17.5014 -17.4954 -17.4954 -12.5289 -12.5289 -12.3927 -12.3927 -11.8676 -11.8676 -11.7999 -11.7998 -6.8405 -6.8404 -6.7360 -6.7360 -5.0623 -5.0611 -4.8964 -4.8956 -4.8539 -4.8529 -4.7097 -4.7087 -4.4318 -4.4317 -4.4270 -4.4269 -2.4283 -2.4141 -2.3664 -2.3653 -2.2445 -2.2423 -2.1900 -2.1747 -1.3559 -1.3498 -1.1728 -1.1495 -1.0570 -1.0514 -0.9910 -0.9826 -0.9294 -0.9080 -0.8491 -0.8434 -0.2029 -0.2004 -0.1523 -0.1491 0.0714 0.0721 0.6444 0.6450 0.7430 0.7451 1.0556 1.0665 1.1678 1.1683 1.4126 1.4127 1.4869 1.4901 1.6621 1.6744 5.3485 5.3577 6.2976 6.3171 6.6357 6.6389 6.8943 6.9019 7.4369 7.4493 7.8991 7.8995 8.8667 8.8684 k = 0.1154-0.0000 0.3437 ( 8180 PWs) bands (ev): -17.5013 -17.5013 -17.4954 -17.4954 -12.5273 -12.5272 -12.3936 -12.3936 -11.8678 -11.8677 -11.8012 -11.8012 -6.8396 -6.8395 -6.7373 -6.7373 -5.0596 -5.0583 -4.8959 -4.8951 -4.8528 -4.8515 -4.7096 -4.7084 -4.4313 -4.4313 -4.4266 -4.4265 -2.4372 -2.4218 -2.3786 -2.3784 -2.2342 -2.2328 -2.1843 -2.1678 -1.3561 -1.3488 -1.1770 -1.1499 -1.0586 -1.0521 -0.9914 -0.9813 -0.9295 -0.9055 -0.8485 -0.8427 -0.2018 -0.1992 -0.1532 -0.1497 0.0798 0.0806 0.6411 0.6417 0.7442 0.7465 1.0498 1.0628 1.1675 1.1680 1.4115 1.4118 1.4858 1.4898 1.6521 1.6665 5.3634 5.3743 6.3073 6.3301 6.6309 6.6340 6.8893 6.8971 7.4416 7.4562 7.9021 7.9031 8.8597 8.8615 k = 0.1346-0.0000 0.3437 ( 8176 PWs) bands (ev): -17.5012 -17.5012 -17.4955 -17.4955 -12.5253 -12.5253 -12.3947 -12.3947 -11.8679 -11.8678 -11.8027 -11.8027 -6.8385 -6.8384 -6.7388 -6.7388 -5.0565 -5.0550 -4.8956 -4.8948 -4.8512 -4.8496 -4.7095 -4.7082 -4.4308 -4.4308 -4.4262 -4.4260 -2.4465 -2.4304 -2.3916 -2.3909 -2.2241 -2.2235 -2.1780 -2.1608 -1.3562 -1.3477 -1.1815 -1.1513 -1.0598 -1.0526 -0.9921 -0.9802 -0.9290 -0.9031 -0.8478 -0.8423 -0.2006 -0.1978 -0.1543 -0.1503 0.0897 0.0905 0.6374 0.6379 0.7455 0.7481 1.0431 1.0580 1.1674 1.1678 1.4101 1.4107 1.4847 1.4894 1.6410 1.6572 5.3810 5.3935 6.3186 6.3444 6.6251 6.6278 6.8840 6.8914 7.4474 7.4642 7.9055 7.9071 8.8517 8.8535 k = 0.1538-0.0000 0.3437 ( 8166 PWs) bands (ev): -17.5010 -17.5010 -17.4955 -17.4955 -12.5230 -12.5230 -12.3961 -12.3960 -11.8680 -11.8679 -11.8045 -11.8045 -6.8373 -6.8371 -6.7406 -6.7405 -5.0530 -5.0514 -4.8956 -4.8949 -4.8491 -4.8472 -4.7095 -4.7080 -4.4302 -4.4302 -4.4257 -4.4255 -2.4560 -2.4396 -2.4046 -2.4031 -2.2146 -2.2145 -2.1715 -2.1540 -1.3562 -1.3465 -1.1865 -1.1537 -1.0603 -1.0529 -0.9929 -0.9794 -0.9280 -0.9007 -0.8468 -0.8420 -0.1992 -0.1965 -0.1554 -0.1511 0.1011 0.1018 0.6333 0.6336 0.7470 0.7498 1.0354 1.0523 1.1676 1.1679 1.4081 1.4092 1.4835 1.4889 1.6290 1.6468 5.4013 5.4154 6.3312 6.3597 6.6183 6.6203 6.8786 6.8849 7.4545 7.4734 7.9091 7.9116 8.8427 8.8445 k = 0.1731-0.0000 0.3437 ( 8168 PWs) bands (ev): -17.5009 -17.5009 -17.4956 -17.4956 -12.5205 -12.5205 -12.3976 -12.3975 -11.8681 -11.8680 -11.8064 -11.8064 -6.8359 -6.8357 -6.7425 -6.7424 -5.0492 -5.0474 -4.8960 -4.8953 -4.8464 -4.8441 -4.7096 -4.7079 -4.4295 -4.4295 -4.4252 -4.4250 -2.4656 -2.4491 -2.4176 -2.4153 -2.2061 -2.2053 -2.1650 -2.1474 -1.3560 -1.3451 -1.1919 -1.1571 -1.0602 -1.0528 -0.9938 -0.9789 -0.9264 -0.8982 -0.8456 -0.8419 -0.1978 -0.1951 -0.1565 -0.1519 0.1139 0.1145 0.6287 0.6289 0.7485 0.7516 1.0269 1.0455 1.1681 1.1683 1.4056 1.4073 1.4824 1.4884 1.6164 1.6354 5.4241 5.4398 6.3448 6.3754 6.6105 6.6118 6.8731 6.8776 7.4629 7.4837 7.9127 7.9163 8.8331 8.8348 k = 0.1923-0.0000 0.3437 ( 8178 PWs) bands (ev): -17.5008 -17.5008 -17.4956 -17.4956 -12.5177 -12.5177 -12.3993 -12.3992 -11.8681 -11.8680 -11.8086 -11.8086 -6.8344 -6.8342 -6.7446 -6.7446 -5.0449 -5.0430 -4.8967 -4.8962 -4.8430 -4.8404 -4.7098 -4.7079 -4.4289 -4.4289 -4.4247 -4.4244 -2.4752 -2.4587 -2.4303 -2.4272 -2.1980 -2.1965 -2.1586 -2.1412 -1.3556 -1.3435 -1.1976 -1.1616 -1.0594 -1.0524 -0.9949 -0.9788 -0.9244 -0.8957 -0.8444 -0.8421 -0.1962 -0.1938 -0.1577 -0.1529 0.1280 0.1285 0.6237 0.6238 0.7502 0.7536 1.0174 1.0377 1.1690 1.1692 1.4024 1.4050 1.4812 1.4879 1.6033 1.6232 5.4495 5.4665 6.3589 6.3907 6.6018 6.6025 6.8677 6.8698 7.4727 7.4952 7.9162 7.9210 8.8228 8.8247 k = 0.2115-0.0000 0.3437 ( 8190 PWs) bands (ev): -17.5006 -17.5006 -17.4957 -17.4957 -12.5147 -12.5147 -12.4012 -12.4011 -11.8680 -11.8680 -11.8109 -11.8108 -6.8327 -6.8325 -6.7469 -6.7468 -5.0404 -5.0384 -4.8979 -4.8975 -4.8391 -4.8362 -4.7101 -4.7081 -4.4281 -4.4281 -4.4241 -4.4238 -2.4845 -2.4683 -2.4427 -2.4390 -2.1902 -2.1881 -2.1525 -2.1355 -1.3549 -1.3417 -1.2037 -1.1669 -1.0579 -1.0516 -0.9960 -0.9791 -0.9221 -0.8930 -0.8431 -0.8425 -0.1947 -0.1925 -0.1589 -0.1540 0.1434 0.1438 0.6180 0.6184 0.7520 0.7557 1.0071 1.0289 1.1701 1.1706 1.3983 1.4020 1.4801 1.4874 1.5902 1.6105 5.4772 5.4956 6.3729 6.4048 6.5924 6.5932 6.8616 6.8624 7.4838 7.5080 7.9195 7.9257 8.8123 8.8142 k = 0.2308-0.0000 0.3437 ( 8190 PWs) bands (ev): -17.5004 -17.5004 -17.4958 -17.4958 -12.5115 -12.5115 -12.4032 -12.4032 -11.8679 -11.8679 -11.8133 -11.8133 -6.8308 -6.8306 -6.7493 -6.7493 -5.0356 -5.0335 -4.8996 -4.8993 -4.8346 -4.8314 -4.7106 -4.7084 -4.4273 -4.4273 -4.4235 -4.4232 -2.4936 -2.4776 -2.4547 -2.4504 -2.1829 -2.1803 -2.1467 -2.1302 -1.3540 -1.3396 -1.2102 -1.1731 -1.0560 -1.0504 -0.9972 -0.9797 -0.9194 -0.8902 -0.8432 -0.8419 -0.1931 -0.1913 -0.1601 -0.1551 0.1601 0.1603 0.6119 0.6125 0.7539 0.7579 0.9960 1.0192 1.1717 1.1727 1.3932 1.3985 1.4791 1.4869 1.5772 1.5976 5.5071 5.5268 6.3860 6.4161 6.5827 6.5850 6.8530 6.8571 7.4964 7.5220 7.9223 7.9301 8.8016 8.8037 k = 0.2500-0.0000 0.3437 ( 8186 PWs) bands (ev): -17.5003 -17.5003 -17.4958 -17.4958 -12.5080 -12.5080 -12.4055 -12.4055 -11.8677 -11.8676 -11.8158 -11.8158 -6.8288 -6.8286 -6.7519 -6.7519 -5.0305 -5.0284 -4.9017 -4.9015 -4.8295 -4.8261 -4.7113 -4.7090 -4.4265 -4.4265 -4.4229 -4.4225 -2.5023 -2.4867 -2.4663 -2.4614 -2.1759 -2.1729 -2.1415 -2.1255 -1.3528 -1.3374 -1.2169 -1.1798 -1.0536 -1.0489 -0.9984 -0.9807 -0.9165 -0.8873 -0.8441 -0.8407 -0.1915 -0.1901 -0.1614 -0.1563 0.1778 0.1779 0.6053 0.6062 0.7560 0.7604 0.9842 1.0085 1.1737 1.1752 1.3871 1.3941 1.4782 1.4865 1.5648 1.5847 5.5391 5.5601 6.3970 6.4225 6.5738 6.5798 6.8441 6.8520 7.5104 7.5374 7.9244 7.9339 8.7909 8.7933 k = 0.2692-0.0000 0.3437 ( 8194 PWs) bands (ev): -17.5001 -17.5001 -17.4959 -17.4959 -12.5044 -12.5043 -12.4080 -12.4080 -11.8674 -11.8673 -11.8185 -11.8185 -6.8267 -6.8265 -6.7547 -6.7546 -5.0252 -5.0231 -4.9041 -4.9041 -4.8241 -4.8204 -4.7122 -4.7098 -4.4257 -4.4256 -4.4223 -4.4219 -2.5105 -2.4953 -2.4774 -2.4720 -2.1694 -2.1659 -2.1367 -2.1213 -1.3513 -1.3348 -1.2238 -1.1871 -1.0509 -1.0471 -0.9996 -0.9820 -0.9135 -0.8842 -0.8453 -0.8397 -0.1900 -0.1890 -0.1627 -0.1575 0.1964 0.1965 0.5982 0.5993 0.7583 0.7631 0.9718 0.9971 1.1762 1.1784 1.3798 1.3888 1.4775 1.4861 1.5531 1.5721 5.5730 5.5952 6.4041 6.4220 6.5669 6.5795 6.8351 6.8467 7.5259 7.5540 7.9256 7.9369 8.7803 8.7831 k = 0.2885-0.0000 0.3437 ( 8188 PWs) bands (ev): -17.4999 -17.4999 -17.4960 -17.4960 -12.5005 -12.5005 -12.4107 -12.4107 -11.8669 -11.8669 -11.8213 -11.8212 -6.8245 -6.8242 -6.7575 -6.7574 -5.0198 -5.0176 -4.9070 -4.9069 -4.8182 -4.8145 -4.7134 -4.7108 -4.4248 -4.4247 -4.4216 -4.4212 -2.5182 -2.5034 -2.4879 -2.4820 -2.1633 -2.1595 -2.1325 -2.1177 -1.3495 -1.3320 -1.2309 -1.1947 -1.0479 -1.0450 -1.0008 -0.9836 -0.9103 -0.8810 -0.8466 -0.8389 -0.1885 -0.1880 -0.1639 -0.1587 0.2159 0.2161 0.5904 0.5917 0.7609 0.7662 0.9589 0.9849 1.1792 1.1821 1.3714 1.3826 1.4770 1.4859 1.5424 1.5602 5.6087 5.6320 6.4053 6.4136 6.5639 6.5849 6.8259 6.8414 7.5429 7.5719 7.9257 7.9387 8.7701 8.7733 k = 0.3077-0.0000 0.3437 ( 8188 PWs) bands (ev): -17.4997 -17.4997 -17.4961 -17.4961 -12.4965 -12.4965 -12.4136 -12.4136 -11.8663 -11.8663 -11.8241 -11.8241 -6.8221 -6.8218 -6.7605 -6.7604 -5.0141 -5.0121 -4.9102 -4.9101 -4.8121 -4.8082 -4.7150 -4.7122 -4.4240 -4.4238 -4.4210 -4.4206 -2.5253 -2.5110 -2.4978 -2.4915 -2.1576 -2.1534 -2.1288 -2.1148 -1.3473 -1.3288 -1.2381 -1.2026 -1.0449 -1.0427 -1.0020 -0.9855 -0.9069 -0.8777 -0.8482 -0.8383 -0.1870 -0.1870 -0.1652 -0.1600 0.2361 0.2364 0.5820 0.5835 0.7637 0.7697 0.9457 0.9722 1.1826 1.1865 1.3619 1.3753 1.4766 1.4856 1.5328 1.5491 5.6460 5.6703 6.3980 6.3992 6.5660 6.5952 6.8165 6.8359 7.5613 7.5911 7.9243 7.9392 8.7604 8.7641 k = 0.3269-0.0000 0.3437 ( 8190 PWs) bands (ev): -17.4995 -17.4995 -17.4962 -17.4962 -12.4923 -12.4923 -12.4167 -12.4167 -11.8656 -11.8655 -11.8269 -11.8269 -6.8196 -6.8193 -6.7636 -6.7634 -5.0084 -5.0064 -4.9138 -4.9136 -4.8058 -4.8018 -4.7168 -4.7139 -4.4231 -4.4230 -4.4205 -4.4200 -2.5318 -2.5179 -2.5070 -2.5003 -2.1523 -2.1478 -2.1258 -2.1124 -1.3448 -1.3253 -1.2454 -1.2106 -1.0417 -1.0401 -1.0032 -0.9876 -0.9036 -0.8744 -0.8501 -0.8379 -0.1860 -0.1856 -0.1665 -0.1614 0.2569 0.2573 0.5728 0.5744 0.7669 0.7736 0.9321 0.9589 1.1866 1.1915 1.3514 1.3669 1.4765 1.4855 1.5243 1.5390 5.6846 5.7099 6.3765 6.3857 6.5731 6.6089 6.8070 6.8300 7.5811 7.6115 7.9212 7.9380 8.7513 8.7556 k = 0.3462-0.0000 0.3437 ( 8196 PWs) bands (ev): -17.4993 -17.4993 -17.4964 -17.4964 -12.4881 -12.4880 -12.4200 -12.4200 -11.8647 -11.8646 -11.8298 -11.8298 -6.8170 -6.8167 -6.7667 -6.7665 -5.0026 -5.0006 -4.9176 -4.9173 -4.7993 -4.7953 -4.7190 -4.7160 -4.4223 -4.4221 -4.4199 -4.4195 -2.5376 -2.5241 -2.5156 -2.5084 -2.1474 -2.1426 -2.1233 -2.1106 -1.3420 -1.3216 -1.2527 -1.2187 -1.0386 -1.0374 -1.0044 -0.9899 -0.9001 -0.8710 -0.8521 -0.8378 -0.1851 -0.1842 -0.1678 -0.1627 0.2783 0.2786 0.5629 0.5645 0.7705 0.7781 0.9185 0.9452 1.1912 1.1972 1.3401 1.3575 1.4766 1.4856 1.5169 1.5301 5.7245 5.7506 6.3507 6.3658 6.5841 6.6246 6.7972 6.8237 7.6022 7.6330 7.9162 7.9348 8.7431 8.7480 k = 0.3654-0.0000 0.3437 ( 8196 PWs) bands (ev): -17.4991 -17.4991 -17.4965 -17.4965 -12.4837 -12.4837 -12.4235 -12.4235 -11.8636 -11.8636 -11.8327 -11.8327 -6.8143 -6.8140 -6.7699 -6.7697 -4.9968 -4.9948 -4.9217 -4.9213 -4.7928 -4.7887 -4.7215 -4.7184 -4.4216 -4.4213 -4.4195 -4.4190 -2.5426 -2.5296 -2.5234 -2.5158 -2.1429 -2.1378 -2.1213 -2.1093 -1.3387 -1.3174 -1.2600 -1.2267 -1.0354 -1.0345 -1.0057 -0.9924 -0.8967 -0.8676 -0.8542 -0.8379 -0.1841 -0.1828 -0.1691 -0.1640 0.2999 0.3003 0.5520 0.5537 0.7746 0.7832 0.9049 0.9313 1.1963 1.2035 1.3284 1.3472 1.4768 1.4857 1.5105 1.5223 5.7653 5.7923 6.3214 6.3410 6.5977 6.6412 6.7872 6.8169 7.6245 7.6555 7.9090 7.9293 8.7358 8.7414 k = 0.3846-0.0000 0.3437 ( 8198 PWs) bands (ev): -17.4989 -17.4988 -17.4966 -17.4966 -12.4792 -12.4792 -12.4271 -12.4271 -11.8624 -11.8623 -11.8356 -11.8356 -6.8114 -6.8111 -6.7731 -6.7729 -4.9909 -4.9890 -4.9260 -4.9255 -4.7862 -4.7822 -4.7244 -4.7212 -4.4209 -4.4206 -4.4190 -4.4186 -2.5468 -2.5343 -2.5304 -2.5225 -2.1388 -2.1333 -2.1199 -2.1086 -1.3352 -1.3130 -1.2671 -1.2348 -1.0324 -1.0316 -1.0070 -0.9950 -0.8932 -0.8643 -0.8566 -0.8384 -0.1832 -0.1814 -0.1703 -0.1654 0.3218 0.3221 0.5402 0.5418 0.7792 0.7889 0.8915 0.9173 1.2019 1.2105 1.3164 1.3362 1.4773 1.4861 1.5050 1.5156 5.8069 5.8347 6.2894 6.3123 6.6126 6.6581 6.7768 6.8095 7.6478 7.6789 7.8994 7.9214 8.7297 8.7361 k = 0.4038-0.0000 0.3437 ( 8204 PWs) bands (ev): -17.4986 -17.4986 -17.4968 -17.4968 -12.4747 -12.4747 -12.4309 -12.4309 -11.8610 -11.8609 -11.8384 -11.8384 -6.8085 -6.8082 -6.7764 -6.7762 -4.9850 -4.9832 -4.9306 -4.9300 -4.7797 -4.7757 -4.7277 -4.7244 -4.4202 -4.4199 -4.4187 -4.4182 -2.5503 -2.5382 -2.5366 -2.5283 -2.1350 -2.1292 -2.1190 -2.1084 -1.3312 -1.3082 -1.2742 -1.2427 -1.0295 -1.0285 -1.0083 -0.9977 -0.8898 -0.8611 -0.8591 -0.8391 -0.1823 -0.1801 -0.1716 -0.1667 0.3437 0.3439 0.5273 0.5288 0.7845 0.7954 0.8784 0.9034 1.2082 1.2181 1.3043 1.3246 1.4780 1.4866 1.5003 1.5100 5.8491 5.8775 6.2552 6.2804 6.6282 6.6749 6.7660 6.8015 7.6719 7.7029 7.8874 7.9110 8.7250 8.7323 k = 0.4231-0.0000 0.3437 ( 8210 PWs) bands (ev): -17.4984 -17.4984 -17.4969 -17.4969 -12.4702 -12.4701 -12.4349 -12.4349 -11.8594 -11.8593 -11.8412 -11.8412 -6.8055 -6.8053 -6.7797 -6.7795 -4.9791 -4.9775 -4.9354 -4.9347 -4.7734 -4.7693 -4.7314 -4.7280 -4.4196 -4.4193 -4.4184 -4.4179 -2.5529 -2.5419 -2.5412 -2.5333 -2.1316 -2.1255 -2.1187 -2.1086 -1.3269 -1.3030 -1.2810 -1.2504 -1.0267 -1.0254 -1.0098 -1.0006 -0.8864 -0.8617 -0.8579 -0.8402 -0.1813 -0.1788 -0.1728 -0.1681 0.3654 0.3655 0.5134 0.5148 0.7904 0.8027 0.8658 0.8897 1.2151 1.2265 1.2924 1.3128 1.4789 1.4873 1.4963 1.5052 5.8916 5.9206 6.2191 6.2461 6.6440 6.6912 6.7548 6.7927 7.6965 7.7274 7.8730 7.8980 8.7219 8.7302 k = 0.4423-0.0000 0.3437 ( 8214 PWs) bands (ev): -17.4982 -17.4982 -17.4971 -17.4971 -12.4656 -12.4656 -12.4390 -12.4390 -11.8576 -11.8576 -11.8439 -11.8439 -6.8025 -6.8022 -6.7830 -6.7828 -4.9733 -4.9718 -4.9403 -4.9395 -4.7671 -4.7632 -4.7355 -4.7320 -4.4191 -4.4188 -4.4182 -4.4178 -2.5546 -2.5464 -2.5434 -2.5374 -2.1286 -2.1221 -2.1188 -2.1094 -1.3223 -1.2975 -1.2877 -1.2580 -1.0240 -1.0222 -1.0114 -1.0035 -0.8831 -0.8645 -0.8550 -0.8415 -0.1804 -0.1775 -0.1740 -0.1695 0.3867 0.3868 0.4983 0.4996 0.7970 0.8107 0.8537 0.8764 1.2226 1.2355 1.2808 1.3008 1.4801 1.4883 1.4928 1.5013 5.9342 5.9637 6.1814 6.2096 6.6597 6.7068 6.7430 6.7831 7.7214 7.7519 7.8563 7.8824 8.7208 8.7301 k = 0.4615-0.0000 0.3437 ( 8218 PWs) bands (ev): -17.4980 -17.4980 -17.4973 -17.4973 -12.4610 -12.4610 -12.4432 -12.4432 -11.8557 -11.8557 -11.8465 -11.8465 -6.7993 -6.7991 -6.7863 -6.7861 -4.9675 -4.9661 -4.9455 -4.9446 -4.7611 -4.7572 -4.7399 -4.7363 -4.4187 -4.4184 -4.4181 -4.4177 -2.5555 -2.5500 -2.5446 -2.5407 -2.1260 -2.1194 -2.1191 -2.1106 -1.3173 -1.2942 -1.2917 -1.2653 -1.0215 -1.0191 -1.0131 -1.0066 -0.8798 -0.8673 -0.8521 -0.8431 -0.1794 -0.1761 -0.1751 -0.1708 0.4074 0.4076 0.4821 0.4832 0.8044 0.8197 0.8423 0.8637 1.2307 1.2451 1.2696 1.2890 1.4814 1.4895 1.4898 1.4980 5.9768 6.0066 6.1423 6.1714 6.6750 6.7217 6.7306 6.7726 7.7462 7.7764 7.8374 7.8646 8.7219 8.7322 k = 0.4808-0.0000 0.3437 ( 8230 PWs) bands (ev): -17.4978 -17.4978 -17.4975 -17.4975 -12.4565 -12.4565 -12.4476 -12.4476 -11.8536 -11.8536 -11.8490 -11.8490 -6.7962 -6.7959 -6.7896 -6.7894 -4.9618 -4.9605 -4.9508 -4.9498 -4.7554 -4.7515 -4.7448 -4.7411 -4.4184 -4.4181 -4.4180 -4.4177 -2.5555 -2.5528 -2.5450 -2.5430 -2.1237 -2.1204 -2.1164 -2.1121 -1.3120 -1.3004 -1.2856 -1.2723 -1.0192 -1.0159 -1.0150 -1.0096 -0.8766 -0.8703 -0.8495 -0.8450 -0.1784 -0.1762 -0.1748 -0.1722 0.4274 0.4279 0.4649 0.4657 0.8127 0.8295 0.8316 0.8515 1.2395 1.2553 1.2590 1.2773 1.4831 1.4872 1.4910 1.4952 6.0191 6.0490 6.1021 6.1317 6.6898 6.7176 6.7358 6.7612 7.7706 7.8002 7.8166 7.8447 8.7254 8.7368 k = 0.5000-0.0000 0.3437 ( 8232 PWs) bands (ev): -17.4977 -17.4977 -17.4976 -17.4976 -12.4520 -12.4520 -12.4520 -12.4520 -11.8514 -11.8514 -11.8514 -11.8514 -6.7929 -6.7929 -6.7927 -6.7927 -4.9562 -4.9562 -4.9551 -4.9551 -4.7499 -4.7499 -4.7461 -4.7461 -4.4182 -4.4182 -4.4178 -4.4178 -2.5546 -2.5546 -2.5445 -2.5445 -2.1219 -2.1219 -2.1141 -2.1141 -1.3063 -1.3063 -1.2791 -1.2791 -1.0170 -1.0170 -1.0128 -1.0128 -0.8734 -0.8734 -0.8471 -0.8471 -0.1773 -0.1773 -0.1735 -0.1735 0.4466 0.4466 0.4473 0.4473 0.8217 0.8217 0.8401 0.8401 1.2489 1.2489 1.2661 1.2661 1.4850 1.4850 1.4929 1.4929 6.0609 6.0609 6.0908 6.0908 6.7040 6.7040 6.7490 6.7490 7.7942 7.7942 7.8231 7.8231 8.7318 8.7318 Writing output data file H3AuC2NCl.save init_run : 2.06s CPU 1.40s WALL ( 1 calls) electrons : 817.24s CPU 699.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 817.22s CPU 699.67s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.03s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.03s WALL ( 1 calls) newd : 0.38s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.39s WALL ( 239 calls) cegterg : 717.76s CPU 645.84s WALL ( 591 calls) Called by sum_band: Called by *egterg: h_psi : 476.68s CPU 368.42s WALL ( 10110 calls) s_psi : 17.19s CPU 14.91s WALL ( 10110 calls) g_psi : 0.33s CPU 0.35s WALL ( 9280 calls) cdiaghg : 256.44s CPU 252.54s WALL ( 9519 calls) cegterg:over : 24.05s CPU 24.25s WALL ( 9280 calls) cegterg:upda : 14.75s CPU 14.77s WALL ( 9280 calls) cegterg:last : 9.24s CPU 9.14s WALL ( 1308 calls) cdiaghg:chol : 9.31s CPU 9.22s WALL ( 9519 calls) cdiaghg:inve : 6.82s CPU 6.92s WALL ( 9519 calls) cdiaghg:para : 15.58s CPU 15.56s WALL ( 19038 calls) Called by h_psi: h_psi:vloc : 438.59s CPU 334.66s WALL ( 10110 calls) h_psi:vnl : 37.64s CPU 33.34s WALL ( 10110 calls) add_vuspsi : 18.92s CPU 16.48s WALL ( 10110 calls) General routines calbec : 18.64s CPU 16.83s WALL ( 10110 calls) fft : 0.11s CPU 0.07s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 426.58s CPU 323.95s WALL ( 1247372 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 0.28s CPU 1.02s WALL ( 478 calls) Parallel routines fft_scatter : 259.59s CPU 230.30s WALL ( 1247395 calls) PWSCF : 14m36.56s CPU 13m15.46s WALL This run was terminated on: 22:47:26 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=