Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:57:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaN3Cl.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 36 10 3504 1511 232 Max 64 37 11 3512 1536 240 Sum 2301 1321 379 126337 54791 8457 bravais-lattice index = 14 lattice parameter (alat) = 8.5429 a.u. unit-cell volume = 1299.6596 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.542884 celldm(2)= 1.233128 celldm(3)= 1.727188 celldm(4)= 0.205094 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.233128 0.000000 ) a(3) = ( 0.000000 0.354236 1.690472 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.810946 -0.169933 ) b(3) = ( 0.000000 0.000000 0.591551 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 PseudoPot. # 3 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Cl 7.00 35.45300 Cl( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) 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 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -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_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 254 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0000000 0.0140845), wk = 0.0039370 k( 3) = ( 0.0000000 0.0000000 0.0281691), wk = 0.0039370 k( 4) = ( 0.0000000 0.0000000 0.0422536), wk = 0.0039370 k( 5) = ( 0.0000000 0.0000000 0.0563382), wk = 0.0039370 k( 6) = ( 0.0000000 0.0000000 0.0704227), wk = 0.0039370 k( 7) = ( 0.0000000 0.0000000 0.0845072), wk = 0.0039370 k( 8) = ( 0.0000000 0.0000000 0.0985918), wk = 0.0039370 k( 9) = ( 0.0000000 0.0000000 0.1126763), wk = 0.0039370 k( 10) = ( 0.0000000 0.0000000 0.1267609), wk = 0.0039370 k( 11) = ( 0.0000000 0.0000000 0.1408454), wk = 0.0039370 k( 12) = ( 0.0000000 0.0000000 0.1549299), wk = 0.0039370 k( 13) = ( 0.0000000 0.0000000 0.1690145), wk = 0.0039370 k( 14) = ( 0.0000000 0.0000000 0.1830990), wk = 0.0039370 k( 15) = ( 0.0000000 0.0000000 0.1971836), wk = 0.0039370 k( 16) = ( 0.0000000 0.0000000 0.2112681), wk = 0.0039370 k( 17) = ( 0.0000000 0.0000000 0.2253526), wk = 0.0039370 k( 18) = ( 0.0000000 0.0000000 0.2394372), wk = 0.0039370 k( 19) = ( 0.0000000 0.0000000 0.2535217), wk = 0.0039370 k( 20) = ( 0.0000000 0.0000000 0.2676063), wk = 0.0039370 k( 21) = ( 0.0000000 0.0000000 0.2816908), wk = 0.0039370 k( 22) = ( 0.0000000 0.0000000 0.2957753), wk = 0.0039370 k( 23) = ( 0.0000000 0.0000000 0.2957753), wk = 0.0039370 k( 24) = ( 0.0000000 0.0138961 0.2957753), wk = 0.0039370 k( 25) = ( 0.0000000 0.0277922 0.2957753), wk = 0.0039370 k( 26) = ( 0.0000000 0.0416883 0.2957753), wk = 0.0039370 k( 27) = ( 0.0000000 0.0555844 0.2957753), wk = 0.0039370 k( 28) = ( 0.0000000 0.0694804 0.2957753), wk = 0.0039370 k( 29) = ( 0.0000000 0.0833765 0.2957753), wk = 0.0039370 k( 30) = ( 0.0000000 0.0972726 0.2957753), wk = 0.0039370 k( 31) = ( 0.0000000 0.1111687 0.2957753), wk = 0.0039370 k( 32) = ( 0.0000000 0.1250648 0.2957753), wk = 0.0039370 k( 33) = ( 0.0000000 0.1389609 0.2957753), wk = 0.0039370 k( 34) = ( 0.0000000 0.1528570 0.2957753), wk = 0.0039370 k( 35) = ( 0.0000000 0.1667531 0.2957753), wk = 0.0039370 k( 36) = ( 0.0000000 0.1806492 0.2957753), wk = 0.0039370 k( 37) = ( 0.0000000 0.1945452 0.2957753), wk = 0.0039370 k( 38) = ( 0.0000000 0.2084413 0.2957753), wk = 0.0039370 k( 39) = ( 0.0000000 0.2223374 0.2957753), wk = 0.0039370 k( 40) = ( 0.0000000 0.2362335 0.2957753), wk = 0.0039370 k( 41) = ( 0.0000000 0.2501296 0.2957753), wk = 0.0039370 k( 42) = ( 0.0000000 0.2640257 0.2957753), wk = 0.0039370 k( 43) = ( 0.0000000 0.2779218 0.2957753), wk = 0.0039370 k( 44) = ( 0.0000000 0.2918179 0.2957753), wk = 0.0039370 k( 45) = ( 0.0000000 0.3057140 0.2957753), wk = 0.0039370 k( 46) = ( 0.0000000 0.3196100 0.2957753), wk = 0.0039370 k( 47) = ( 0.0000000 0.3335061 0.2957754), wk = 0.0039370 k( 48) = ( 0.0000000 0.3474022 0.2957753), wk = 0.0039370 k( 49) = ( 0.0000000 0.3612983 0.2957753), wk = 0.0039370 k( 50) = ( 0.0000000 0.3612983 0.2957753), wk = 0.0039370 k( 51) = ( 0.0000000 0.3676090 0.2836373), wk = 0.0039370 k( 52) = ( 0.0000000 0.3739197 0.2714993), wk = 0.0039370 k( 53) = ( 0.0000000 0.3802303 0.2593612), wk = 0.0039370 k( 54) = ( 0.0000000 0.3865410 0.2472232), wk = 0.0039370 k( 55) = ( 0.0000000 0.3928517 0.2350852), wk = 0.0039370 k( 56) = ( 0.0000000 0.3991624 0.2229471), wk = 0.0039370 k( 57) = ( 0.0000000 0.4054730 0.2108091), wk = 0.0039370 k( 58) = ( 0.0000000 0.4054730 0.2108091), wk = 0.0039370 k( 59) = ( 0.0142857 0.4054730 0.2108091), wk = 0.0039370 k( 60) = ( 0.0285714 0.4054730 0.2108091), wk = 0.0039370 k( 61) = ( 0.0428571 0.4054730 0.2108091), wk = 0.0039370 k( 62) = ( 0.0571429 0.4054730 0.2108091), wk = 0.0039370 k( 63) = ( 0.0714286 0.4054730 0.2108091), wk = 0.0039370 k( 64) = ( 0.0857143 0.4054730 0.2108091), wk = 0.0039370 k( 65) = ( 0.1000000 0.4054730 0.2108091), wk = 0.0039370 k( 66) = ( 0.1142857 0.4054730 0.2108091), wk = 0.0039370 k( 67) = ( 0.1285714 0.4054730 0.2108091), wk = 0.0039370 k( 68) = ( 0.1428571 0.4054730 0.2108091), wk = 0.0039370 k( 69) = ( 0.1571429 0.4054730 0.2108091), wk = 0.0039370 k( 70) = ( 0.1714286 0.4054730 0.2108091), wk = 0.0039370 k( 71) = ( 0.1857143 0.4054730 0.2108091), wk = 0.0039370 k( 72) = ( 0.2000000 0.4054730 0.2108091), wk = 0.0039370 k( 73) = ( 0.2142857 0.4054730 0.2108091), wk = 0.0039370 k( 74) = ( 0.2285714 0.4054730 0.2108091), wk = 0.0039370 k( 75) = ( 0.2428571 0.4054730 0.2108091), wk = 0.0039370 k( 76) = ( 0.2571429 0.4054730 0.2108091), wk = 0.0039370 k( 77) = ( 0.2714286 0.4054730 0.2108091), wk = 0.0039370 k( 78) = ( 0.2857143 0.4054730 0.2108091), wk = 0.0039370 k( 79) = ( 0.3000000 0.4054730 0.2108091), wk = 0.0039370 k( 80) = ( 0.3142857 0.4054730 0.2108091), wk = 0.0039370 k( 81) = ( 0.3285714 0.4054730 0.2108091), wk = 0.0039370 k( 82) = ( 0.3428571 0.4054730 0.2108091), wk = 0.0039370 k( 83) = ( 0.3571429 0.4054730 0.2108091), wk = 0.0039370 k( 84) = ( 0.3714286 0.4054730 0.2108091), wk = 0.0039370 k( 85) = ( 0.3857143 0.4054730 0.2108091), wk = 0.0039370 k( 86) = ( 0.4000000 0.4054730 0.2108091), wk = 0.0039370 k( 87) = ( 0.4142857 0.4054730 0.2108091), wk = 0.0039370 k( 88) = ( 0.4285714 0.4054730 0.2108091), wk = 0.0039370 k( 89) = ( 0.4428571 0.4054730 0.2108091), wk = 0.0039370 k( 90) = ( 0.4571429 0.4054730 0.2108091), wk = 0.0039370 k( 91) = ( 0.4714286 0.4054730 0.2108091), wk = 0.0039370 k( 92) = ( 0.4857143 0.4054730 0.2108091), wk = 0.0039370 k( 93) = ( 0.5000000 0.4054730 0.2108091), wk = 0.0039370 k( 94) = ( 0.5000000 0.4054730 0.2108091), wk = 0.0039370 k( 95) = ( 0.5000000 0.4117837 0.1986710), wk = 0.0039370 k( 96) = ( 0.5000000 0.4180944 0.1865330), wk = 0.0039370 k( 97) = ( 0.5000000 0.4244051 0.1743950), wk = 0.0039370 k( 98) = ( 0.5000000 0.4307157 0.1622569), wk = 0.0039370 k( 99) = ( 0.5000000 0.4370264 0.1501189), wk = 0.0039370 k( 100) = ( 0.5000000 0.4433371 0.1379809), wk = 0.0039370 k( 101) = ( 0.5000000 0.4496478 0.1258428), wk = 0.0039370 k( 102) = ( 0.5000000 0.4496478 0.1258428), wk = 0.0039370 k( 103) = ( 0.5000000 0.4467028 0.1117889), wk = 0.0039370 k( 104) = ( 0.5000000 0.4437578 0.0977349), wk = 0.0039370 k( 105) = ( 0.5000000 0.4408128 0.0836810), wk = 0.0039370 k( 106) = ( 0.5000000 0.4378678 0.0696271), wk = 0.0039370 k( 107) = ( 0.5000000 0.4349229 0.0555731), wk = 0.0039370 k( 108) = ( 0.5000000 0.4319779 0.0415192), wk = 0.0039370 k( 109) = ( 0.5000000 0.4290329 0.0274652), wk = 0.0039370 k( 110) = ( 0.5000000 0.4260879 0.0134113), wk = 0.0039370 k( 111) = ( 0.5000000 0.4231429 -0.0006426), wk = 0.0039370 k( 112) = ( 0.5000000 0.4201979 -0.0146966), wk = 0.0039370 k( 113) = ( 0.5000000 0.4172530 -0.0287505), wk = 0.0039370 k( 114) = ( 0.5000000 0.4143080 -0.0428044), wk = 0.0039370 k( 115) = ( 0.5000000 0.4113630 -0.0568584), wk = 0.0039370 k( 116) = ( 0.5000000 0.4084180 -0.0709123), wk = 0.0039370 k( 117) = ( 0.5000000 0.4054730 -0.0849663), wk = 0.0039370 k( 118) = ( 0.5000000 0.4054730 -0.0849663), wk = 0.0039370 k( 119) = ( 0.4857143 0.4054730 -0.0849663), wk = 0.0039370 k( 120) = ( 0.4714286 0.4054730 -0.0849663), wk = 0.0039370 k( 121) = ( 0.4571429 0.4054730 -0.0849663), wk = 0.0039370 k( 122) = ( 0.4428571 0.4054730 -0.0849663), wk = 0.0039370 k( 123) = ( 0.4285714 0.4054730 -0.0849663), wk = 0.0039370 k( 124) = ( 0.4142857 0.4054730 -0.0849663), wk = 0.0039370 k( 125) = ( 0.4000000 0.4054730 -0.0849663), wk = 0.0039370 k( 126) = ( 0.3857143 0.4054730 -0.0849663), wk = 0.0039370 k( 127) = ( 0.3714286 0.4054730 -0.0849663), wk = 0.0039370 k( 128) = ( 0.3571429 0.4054730 -0.0849663), wk = 0.0039370 k( 129) = ( 0.3428571 0.4054730 -0.0849663), wk = 0.0039370 k( 130) = ( 0.3285714 0.4054730 -0.0849663), wk = 0.0039370 k( 131) = ( 0.3142857 0.4054730 -0.0849663), wk = 0.0039370 k( 132) = ( 0.3000000 0.4054730 -0.0849663), wk = 0.0039370 k( 133) = ( 0.2857143 0.4054730 -0.0849663), wk = 0.0039370 k( 134) = ( 0.2714286 0.4054730 -0.0849663), wk = 0.0039370 k( 135) = ( 0.2571429 0.4054730 -0.0849663), wk = 0.0039370 k( 136) = ( 0.2428571 0.4054730 -0.0849663), wk = 0.0039370 k( 137) = ( 0.2285714 0.4054730 -0.0849663), wk = 0.0039370 k( 138) = ( 0.2142857 0.4054730 -0.0849663), wk = 0.0039370 k( 139) = ( 0.2000000 0.4054730 -0.0849663), wk = 0.0039370 k( 140) = ( 0.1857143 0.4054730 -0.0849663), wk = 0.0039370 k( 141) = ( 0.1714286 0.4054730 -0.0849663), wk = 0.0039370 k( 142) = ( 0.1571429 0.4054730 -0.0849663), wk = 0.0039370 k( 143) = ( 0.1428571 0.4054730 -0.0849663), wk = 0.0039370 k( 144) = ( 0.1285714 0.4054730 -0.0849663), wk = 0.0039370 k( 145) = ( 0.1142857 0.4054730 -0.0849663), wk = 0.0039370 k( 146) = ( 0.1000000 0.4054730 -0.0849663), wk = 0.0039370 k( 147) = ( 0.0857143 0.4054730 -0.0849663), wk = 0.0039370 k( 148) = ( 0.0714286 0.4054730 -0.0849663), wk = 0.0039370 k( 149) = ( 0.0571429 0.4054730 -0.0849663), wk = 0.0039370 k( 150) = ( 0.0428571 0.4054730 -0.0849663), wk = 0.0039370 k( 151) = ( 0.0285714 0.4054730 -0.0849663), wk = 0.0039370 k( 152) = ( 0.0142857 0.4054730 -0.0849663), wk = 0.0039370 k( 153) = ( 0.0000000 0.4054730 -0.0849663), wk = 0.0039370 k( 154) = ( 0.0000000 0.4054730 -0.0849663), wk = 0.0039370 k( 155) = ( 0.0000000 0.4084180 -0.0709123), wk = 0.0039370 k( 156) = ( 0.0000000 0.4113630 -0.0568584), wk = 0.0039370 k( 157) = ( 0.0000000 0.4143080 -0.0428044), wk = 0.0039370 k( 158) = ( 0.0000000 0.4172530 -0.0287505), wk = 0.0039370 k( 159) = ( 0.0000000 0.4201979 -0.0146966), wk = 0.0039370 k( 160) = ( 0.0000000 0.4231429 -0.0006426), wk = 0.0039370 k( 161) = ( 0.0000000 0.4260879 0.0134113), wk = 0.0039370 k( 162) = ( 0.0000000 0.4290329 0.0274652), wk = 0.0039370 k( 163) = ( 0.0000000 0.4319779 0.0415192), wk = 0.0039370 k( 164) = ( 0.0000000 0.4349229 0.0555731), wk = 0.0039370 k( 165) = ( 0.0000000 0.4378678 0.0696271), wk = 0.0039370 k( 166) = ( 0.0000000 0.4408128 0.0836810), wk = 0.0039370 k( 167) = ( 0.0000000 0.4437578 0.0977349), wk = 0.0039370 k( 168) = ( 0.0000000 0.4467028 0.1117889), wk = 0.0039370 k( 169) = ( 0.0000000 0.4496478 0.1258428), wk = 0.0039370 k( 170) = ( 0.5000000 0.3612983 0.2957753), wk = 0.0039370 k( 171) = ( 0.5000000 0.3474022 0.2957753), wk = 0.0039370 k( 172) = ( 0.5000000 0.3335061 0.2957754), wk = 0.0039370 k( 173) = ( 0.5000000 0.3196100 0.2957753), wk = 0.0039370 k( 174) = ( 0.5000000 0.3057140 0.2957753), wk = 0.0039370 k( 175) = ( 0.5000000 0.2918179 0.2957753), wk = 0.0039370 k( 176) = ( 0.5000000 0.2779218 0.2957753), wk = 0.0039370 k( 177) = ( 0.5000000 0.2640257 0.2957753), wk = 0.0039370 k( 178) = ( 0.5000000 0.2501296 0.2957753), wk = 0.0039370 k( 179) = ( 0.5000000 0.2362335 0.2957753), wk = 0.0039370 k( 180) = ( 0.5000000 0.2223374 0.2957753), wk = 0.0039370 k( 181) = ( 0.5000000 0.2084413 0.2957753), wk = 0.0039370 k( 182) = ( 0.5000000 0.1945452 0.2957753), wk = 0.0039370 k( 183) = ( 0.5000000 0.1806492 0.2957753), wk = 0.0039370 k( 184) = ( 0.5000000 0.1667531 0.2957753), wk = 0.0039370 k( 185) = ( 0.5000000 0.1528570 0.2957753), wk = 0.0039370 k( 186) = ( 0.5000000 0.1389609 0.2957753), wk = 0.0039370 k( 187) = ( 0.5000000 0.1250648 0.2957753), wk = 0.0039370 k( 188) = ( 0.5000000 0.1111687 0.2957753), wk = 0.0039370 k( 189) = ( 0.5000000 0.0972726 0.2957753), wk = 0.0039370 k( 190) = ( 0.5000000 0.0833765 0.2957753), wk = 0.0039370 k( 191) = ( 0.5000000 0.0694804 0.2957753), wk = 0.0039370 k( 192) = ( 0.5000000 0.0555844 0.2957753), wk = 0.0039370 k( 193) = ( 0.5000000 0.0416883 0.2957753), wk = 0.0039370 k( 194) = ( 0.5000000 0.0277922 0.2957753), wk = 0.0039370 k( 195) = ( 0.5000000 0.0138961 0.2957753), wk = 0.0039370 k( 196) = ( 0.5000000 -0.0000000 0.2957753), wk = 0.0039370 k( 197) = ( 0.5000000 -0.0000000 0.2957753), wk = 0.0039370 k( 198) = ( 0.5000000 -0.0000000 0.2816908), wk = 0.0039370 k( 199) = ( 0.5000000 -0.0000000 0.2676063), wk = 0.0039370 k( 200) = ( 0.5000000 -0.0000000 0.2535217), wk = 0.0039370 k( 201) = ( 0.5000000 -0.0000000 0.2394372), wk = 0.0039370 k( 202) = ( 0.5000000 -0.0000000 0.2253526), wk = 0.0039370 k( 203) = ( 0.5000000 -0.0000000 0.2112681), wk = 0.0039370 k( 204) = ( 0.5000000 -0.0000000 0.1971836), wk = 0.0039370 k( 205) = ( 0.5000000 -0.0000000 0.1830990), wk = 0.0039370 k( 206) = ( 0.5000000 -0.0000000 0.1690145), wk = 0.0039370 k( 207) = ( 0.5000000 -0.0000000 0.1549299), wk = 0.0039370 k( 208) = ( 0.5000000 -0.0000000 0.1408454), wk = 0.0039370 k( 209) = ( 0.5000000 -0.0000000 0.1267609), wk = 0.0039370 k( 210) = ( 0.5000000 -0.0000000 0.1126763), wk = 0.0039370 k( 211) = ( 0.5000000 -0.0000000 0.0985918), wk = 0.0039370 k( 212) = ( 0.5000000 -0.0000000 0.0845072), wk = 0.0039370 k( 213) = ( 0.5000000 -0.0000000 0.0704227), wk = 0.0039370 k( 214) = ( 0.5000000 -0.0000000 0.0563382), wk = 0.0039370 k( 215) = ( 0.5000000 -0.0000000 0.0422536), wk = 0.0039370 k( 216) = ( 0.5000000 -0.0000000 0.0281691), wk = 0.0039370 k( 217) = ( 0.5000000 -0.0000000 0.0140845), wk = 0.0039370 k( 218) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039370 k( 219) = ( 0.0000000 0.0000000 0.2957753), wk = 0.0039370 k( 220) = ( 0.0142857 -0.0000000 0.2957753), wk = 0.0039370 k( 221) = ( 0.0285714 -0.0000000 0.2957753), wk = 0.0039370 k( 222) = ( 0.0428571 -0.0000000 0.2957753), wk = 0.0039370 k( 223) = ( 0.0571429 -0.0000000 0.2957753), wk = 0.0039370 k( 224) = ( 0.0714286 -0.0000000 0.2957753), wk = 0.0039370 k( 225) = ( 0.0857143 -0.0000000 0.2957753), wk = 0.0039370 k( 226) = ( 0.1000000 -0.0000000 0.2957753), wk = 0.0039370 k( 227) = ( 0.1142857 -0.0000000 0.2957753), wk = 0.0039370 k( 228) = ( 0.1285714 -0.0000000 0.2957753), wk = 0.0039370 k( 229) = ( 0.1428571 -0.0000000 0.2957753), wk = 0.0039370 k( 230) = ( 0.1571429 -0.0000000 0.2957753), wk = 0.0039370 k( 231) = ( 0.1714286 -0.0000000 0.2957753), wk = 0.0039370 k( 232) = ( 0.1857143 -0.0000000 0.2957753), wk = 0.0039370 k( 233) = ( 0.2000000 -0.0000000 0.2957753), wk = 0.0039370 k( 234) = ( 0.2142857 -0.0000000 0.2957753), wk = 0.0039370 k( 235) = ( 0.2285714 -0.0000000 0.2957753), wk = 0.0039370 k( 236) = ( 0.2428571 -0.0000000 0.2957753), wk = 0.0039370 k( 237) = ( 0.2571429 -0.0000000 0.2957753), wk = 0.0039370 k( 238) = ( 0.2714286 -0.0000000 0.2957753), wk = 0.0039370 k( 239) = ( 0.2857143 -0.0000000 0.2957753), wk = 0.0039370 k( 240) = ( 0.3000000 -0.0000000 0.2957753), wk = 0.0039370 k( 241) = ( 0.3142857 -0.0000000 0.2957753), wk = 0.0039370 k( 242) = ( 0.3285714 -0.0000000 0.2957753), wk = 0.0039370 k( 243) = ( 0.3428571 -0.0000000 0.2957753), wk = 0.0039370 k( 244) = ( 0.3571429 -0.0000000 0.2957753), wk = 0.0039370 k( 245) = ( 0.3714286 -0.0000000 0.2957753), wk = 0.0039370 k( 246) = ( 0.3857143 -0.0000000 0.2957753), wk = 0.0039370 k( 247) = ( 0.4000000 -0.0000000 0.2957753), wk = 0.0039370 k( 248) = ( 0.4142857 -0.0000000 0.2957753), wk = 0.0039370 k( 249) = ( 0.4285714 -0.0000000 0.2957753), wk = 0.0039370 k( 250) = ( 0.4428571 -0.0000000 0.2957753), wk = 0.0039370 k( 251) = ( 0.4571429 -0.0000000 0.2957753), wk = 0.0039370 k( 252) = ( 0.4714286 -0.0000000 0.2957753), wk = 0.0039370 k( 253) = ( 0.4857143 -0.0000000 0.2957753), wk = 0.0039370 k( 254) = ( 0.5000000 -0.0000000 0.2957753), wk = 0.0039370 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039370 k( 2) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0039370 k( 3) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0039370 k( 4) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0039370 k( 5) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0039370 k( 6) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0039370 k( 7) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0039370 k( 8) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039370 k( 9) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0039370 k( 10) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0039370 k( 11) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0039370 k( 12) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0039370 k( 13) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0039370 k( 14) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0039370 k( 15) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039370 k( 16) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0039370 k( 17) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0039370 k( 18) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0039370 k( 19) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0039370 k( 20) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0039370 k( 21) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0039370 k( 22) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 24) = ( 0.0000000 0.0171356 0.5049225), wk = 0.0039370 k( 25) = ( 0.0000000 0.0342713 0.5098450), wk = 0.0039370 k( 26) = ( 0.0000000 0.0514069 0.5147675), wk = 0.0039370 k( 27) = ( 0.0000000 0.0685426 0.5196900), wk = 0.0039370 k( 28) = ( 0.0000000 0.0856783 0.5246125), wk = 0.0039370 k( 29) = ( 0.0000000 0.1028139 0.5295350), wk = 0.0039370 k( 30) = ( 0.0000000 0.1199496 0.5344575), wk = 0.0039370 k( 31) = ( 0.0000000 0.1370852 0.5393800), wk = 0.0039370 k( 32) = ( 0.0000000 0.1542209 0.5443024), wk = 0.0039370 k( 33) = ( 0.0000000 0.1713565 0.5492249), wk = 0.0039370 k( 34) = ( 0.0000000 0.1884922 0.5541474), wk = 0.0039370 k( 35) = ( 0.0000000 0.2056278 0.5590699), wk = 0.0039370 k( 36) = ( 0.0000000 0.2227635 0.5639924), wk = 0.0039370 k( 37) = ( 0.0000000 0.2398991 0.5689149), wk = 0.0039370 k( 38) = ( 0.0000000 0.2570348 0.5738374), wk = 0.0039370 k( 39) = ( 0.0000000 0.2741704 0.5787599), wk = 0.0039370 k( 40) = ( 0.0000000 0.2913061 0.5836824), wk = 0.0039370 k( 41) = ( 0.0000000 0.3084417 0.5886049), wk = 0.0039370 k( 42) = ( 0.0000000 0.3255774 0.5935274), wk = 0.0039370 k( 43) = ( 0.0000000 0.3427130 0.5984499), wk = 0.0039370 k( 44) = ( 0.0000000 0.3598487 0.6033724), wk = 0.0039370 k( 45) = ( 0.0000000 0.3769843 0.6082949), wk = 0.0039370 k( 46) = ( 0.0000000 0.3941200 0.6132173), wk = 0.0039370 k( 47) = ( 0.0000000 0.4112556 0.6181399), wk = 0.0039370 k( 48) = ( 0.0000000 0.4283913 0.6230623), wk = 0.0039370 k( 49) = ( 0.0000000 0.4455269 0.6279848), wk = 0.0039370 k( 50) = ( 0.0000000 0.4455269 0.6279848), wk = 0.0039370 k( 51) = ( 0.0000000 0.4533088 0.6097013), wk = 0.0039370 k( 52) = ( 0.0000000 0.4610907 0.5914177), wk = 0.0039370 k( 53) = ( 0.0000000 0.4688725 0.5731342), wk = 0.0039370 k( 54) = ( 0.0000000 0.4766544 0.5548506), wk = 0.0039370 k( 55) = ( 0.0000000 0.4844363 0.5365671), wk = 0.0039370 k( 56) = ( 0.0000000 0.4922181 0.5182836), wk = 0.0039370 k( 57) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 58) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039370 k( 59) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0039370 k( 60) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0039370 k( 61) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0039370 k( 62) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0039370 k( 63) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0039370 k( 64) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0039370 k( 65) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0039370 k( 66) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0039370 k( 67) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0039370 k( 68) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0039370 k( 69) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0039370 k( 70) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0039370 k( 71) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0039370 k( 72) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0039370 k( 73) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0039370 k( 74) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0039370 k( 75) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0039370 k( 76) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0039370 k( 77) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0039370 k( 78) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0039370 k( 79) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0039370 k( 80) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0039370 k( 81) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0039370 k( 82) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0039370 k( 83) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0039370 k( 84) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0039370 k( 85) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0039370 k( 86) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0039370 k( 87) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0039370 k( 88) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0039370 k( 89) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0039370 k( 90) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0039370 k( 91) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0039370 k( 92) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0039370 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 94) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039370 k( 95) = ( 0.5000000 0.5077819 0.4817165), wk = 0.0039370 k( 96) = ( 0.5000000 0.5155637 0.4634329), wk = 0.0039370 k( 97) = ( 0.5000000 0.5233456 0.4451494), wk = 0.0039370 k( 98) = ( 0.5000000 0.5311275 0.4268658), wk = 0.0039370 k( 99) = ( 0.5000000 0.5389093 0.4085823), wk = 0.0039370 k( 100) = ( 0.5000000 0.5466912 0.3902987), wk = 0.0039370 k( 101) = ( 0.5000000 0.5544731 0.3720152), wk = 0.0039370 k( 102) = ( 0.5000000 0.5544731 0.3720152), wk = 0.0039370 k( 103) = ( 0.5000000 0.5508415 0.3472142), wk = 0.0039370 k( 104) = ( 0.5000000 0.5472100 0.3224131), wk = 0.0039370 k( 105) = ( 0.5000000 0.5435785 0.2976121), wk = 0.0039370 k( 106) = ( 0.5000000 0.5399469 0.2728111), wk = 0.0039370 k( 107) = ( 0.5000000 0.5363154 0.2480101), wk = 0.0039370 k( 108) = ( 0.5000000 0.5326838 0.2232091), wk = 0.0039370 k( 109) = ( 0.5000000 0.5290523 0.1984081), wk = 0.0039370 k( 110) = ( 0.5000000 0.5254208 0.1736071), wk = 0.0039370 k( 111) = ( 0.5000000 0.5217892 0.1488061), wk = 0.0039370 k( 112) = ( 0.5000000 0.5181577 0.1240051), wk = 0.0039370 k( 113) = ( 0.5000000 0.5145262 0.0992040), wk = 0.0039370 k( 114) = ( 0.5000000 0.5108946 0.0744030), wk = 0.0039370 k( 115) = ( 0.5000000 0.5072631 0.0496020), wk = 0.0039370 k( 116) = ( 0.5000000 0.5036315 0.0248010), wk = 0.0039370 k( 117) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 118) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039370 k( 119) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0039370 k( 120) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0039370 k( 121) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0039370 k( 122) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0039370 k( 123) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0039370 k( 124) = ( 0.4142857 0.5000000 0.0000000), wk = 0.0039370 k( 125) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0039370 k( 126) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0039370 k( 127) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0039370 k( 128) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0039370 k( 129) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0039370 k( 130) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0039370 k( 131) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0039370 k( 132) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0039370 k( 133) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0039370 k( 134) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0039370 k( 135) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0039370 k( 136) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0039370 k( 137) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0039370 k( 138) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0039370 k( 139) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0039370 k( 140) = ( 0.1857143 0.5000000 0.0000000), wk = 0.0039370 k( 141) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0039370 k( 142) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0039370 k( 143) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0039370 k( 144) = ( 0.1285714 0.5000000 0.0000000), wk = 0.0039370 k( 145) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0039370 k( 146) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0039370 k( 147) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0039370 k( 148) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0039370 k( 149) = ( 0.0571429 0.5000000 0.0000000), wk = 0.0039370 k( 150) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0039370 k( 151) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0039370 k( 152) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0039370 k( 153) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 154) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039370 k( 155) = ( 0.0000000 0.5036315 0.0248010), wk = 0.0039370 k( 156) = ( 0.0000000 0.5072631 0.0496020), wk = 0.0039370 k( 157) = ( 0.0000000 0.5108946 0.0744030), wk = 0.0039370 k( 158) = ( 0.0000000 0.5145262 0.0992040), wk = 0.0039370 k( 159) = ( 0.0000000 0.5181577 0.1240051), wk = 0.0039370 k( 160) = ( 0.0000000 0.5217892 0.1488061), wk = 0.0039370 k( 161) = ( 0.0000000 0.5254208 0.1736071), wk = 0.0039370 k( 162) = ( 0.0000000 0.5290523 0.1984081), wk = 0.0039370 k( 163) = ( 0.0000000 0.5326838 0.2232091), wk = 0.0039370 k( 164) = ( 0.0000000 0.5363154 0.2480101), wk = 0.0039370 k( 165) = ( 0.0000000 0.5399469 0.2728111), wk = 0.0039370 k( 166) = ( 0.0000000 0.5435785 0.2976121), wk = 0.0039370 k( 167) = ( 0.0000000 0.5472100 0.3224131), wk = 0.0039370 k( 168) = ( 0.0000000 0.5508415 0.3472142), wk = 0.0039370 k( 169) = ( 0.0000000 0.5544731 0.3720152), wk = 0.0039370 k( 170) = ( 0.5000000 0.4455269 0.6279848), wk = 0.0039370 k( 171) = ( 0.5000000 0.4283913 0.6230623), wk = 0.0039370 k( 172) = ( 0.5000000 0.4112556 0.6181399), wk = 0.0039370 k( 173) = ( 0.5000000 0.3941200 0.6132173), wk = 0.0039370 k( 174) = ( 0.5000000 0.3769843 0.6082949), wk = 0.0039370 k( 175) = ( 0.5000000 0.3598487 0.6033724), wk = 0.0039370 k( 176) = ( 0.5000000 0.3427130 0.5984499), wk = 0.0039370 k( 177) = ( 0.5000000 0.3255774 0.5935274), wk = 0.0039370 k( 178) = ( 0.5000000 0.3084417 0.5886049), wk = 0.0039370 k( 179) = ( 0.5000000 0.2913061 0.5836824), wk = 0.0039370 k( 180) = ( 0.5000000 0.2741704 0.5787599), wk = 0.0039370 k( 181) = ( 0.5000000 0.2570348 0.5738374), wk = 0.0039370 k( 182) = ( 0.5000000 0.2398991 0.5689149), wk = 0.0039370 k( 183) = ( 0.5000000 0.2227635 0.5639924), wk = 0.0039370 k( 184) = ( 0.5000000 0.2056278 0.5590699), wk = 0.0039370 k( 185) = ( 0.5000000 0.1884922 0.5541474), wk = 0.0039370 k( 186) = ( 0.5000000 0.1713565 0.5492249), wk = 0.0039370 k( 187) = ( 0.5000000 0.1542209 0.5443024), wk = 0.0039370 k( 188) = ( 0.5000000 0.1370852 0.5393800), wk = 0.0039370 k( 189) = ( 0.5000000 0.1199496 0.5344575), wk = 0.0039370 k( 190) = ( 0.5000000 0.1028139 0.5295350), wk = 0.0039370 k( 191) = ( 0.5000000 0.0856783 0.5246125), wk = 0.0039370 k( 192) = ( 0.5000000 0.0685426 0.5196900), wk = 0.0039370 k( 193) = ( 0.5000000 0.0514069 0.5147675), wk = 0.0039370 k( 194) = ( 0.5000000 0.0342713 0.5098450), wk = 0.0039370 k( 195) = ( 0.5000000 0.0171356 0.5049225), wk = 0.0039370 k( 196) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 k( 197) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 k( 198) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0039370 k( 199) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0039370 k( 200) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0039370 k( 201) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0039370 k( 202) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0039370 k( 203) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0039370 k( 204) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0039370 k( 205) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0039370 k( 206) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0039370 k( 207) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0039370 k( 208) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0039370 k( 209) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0039370 k( 210) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0039370 k( 211) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0039370 k( 212) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0039370 k( 213) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0039370 k( 214) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0039370 k( 215) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0039370 k( 216) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0039370 k( 217) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0039370 k( 218) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0039370 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039370 k( 220) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0039370 k( 221) = ( 0.0285714 0.0000000 0.5000000), wk = 0.0039370 k( 222) = ( 0.0428571 0.0000000 0.5000000), wk = 0.0039370 k( 223) = ( 0.0571429 0.0000000 0.5000000), wk = 0.0039370 k( 224) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0039370 k( 225) = ( 0.0857143 0.0000000 0.5000000), wk = 0.0039370 k( 226) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0039370 k( 227) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0039370 k( 228) = ( 0.1285714 0.0000000 0.5000000), wk = 0.0039370 k( 229) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0039370 k( 230) = ( 0.1571429 0.0000000 0.5000000), wk = 0.0039370 k( 231) = ( 0.1714286 0.0000000 0.5000000), wk = 0.0039370 k( 232) = ( 0.1857143 0.0000000 0.5000000), wk = 0.0039370 k( 233) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0039370 k( 234) = ( 0.2142857 0.0000000 0.5000000), wk = 0.0039370 k( 235) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0039370 k( 236) = ( 0.2428571 0.0000000 0.5000000), wk = 0.0039370 k( 237) = ( 0.2571429 0.0000000 0.5000000), wk = 0.0039370 k( 238) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0039370 k( 239) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0039370 k( 240) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0039370 k( 241) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0039370 k( 242) = ( 0.3285714 0.0000000 0.5000000), wk = 0.0039370 k( 243) = ( 0.3428571 0.0000000 0.5000000), wk = 0.0039370 k( 244) = ( 0.3571429 0.0000000 0.5000000), wk = 0.0039370 k( 245) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0039370 k( 246) = ( 0.3857143 0.0000000 0.5000000), wk = 0.0039370 k( 247) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0039370 k( 248) = ( 0.4142857 0.0000000 0.5000000), wk = 0.0039370 k( 249) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0039370 k( 250) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0039370 k( 251) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0039370 k( 252) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0039370 k( 253) = ( 0.4857143 0.0000000 0.5000000), wk = 0.0039370 k( 254) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039370 Dense grid: 126337 G-vectors FFT dimensions: ( 50, 64, 90) Smooth grid: 54791 G-vectors FFT dimensions: ( 40, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 404, 76) NL pseudopotentials 0.68 Mb ( 202, 222) Each V/rho on FFT grid 0.15 Mb ( 9600) Each G-vector array 0.03 Mb ( 3511) G-vector shells 0.03 Mb ( 3398) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.87 Mb ( 404, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.51 Mb ( 222, 2, 76) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BaN3Cl.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.8 secs Computing kpt #: 10 total cpu time spent up to now is 11.7 secs Computing kpt #: 11 total cpu time spent up to now is 12.6 secs Computing kpt #: 12 total cpu time spent up to now is 13.5 secs Computing kpt #: 13 total cpu time spent up to now is 14.3 secs Computing kpt #: 14 total cpu time spent up to now is 15.2 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 17.0 secs Computing kpt #: 17 total cpu time spent up to now is 17.9 secs Computing kpt #: 18 total cpu time spent up to now is 18.7 secs Computing kpt #: 19 total cpu time spent up to now is 19.6 secs Computing kpt #: 20 total cpu time spent up to now is 20.5 secs Computing kpt #: 21 total cpu time spent up to now is 21.4 secs Computing kpt #: 22 total cpu time spent up to now is 22.2 secs Computing kpt #: 23 total cpu time spent up to now is 23.1 secs Computing kpt #: 24 total cpu time spent up to now is 24.0 secs Computing kpt #: 25 total cpu time spent up to now is 24.8 secs Computing kpt #: 26 total cpu time spent up to now is 25.7 secs Computing kpt #: 27 total cpu time spent up to now is 26.6 secs Computing kpt #: 28 total cpu time spent up to now is 27.5 secs Computing kpt #: 29 total cpu time spent up to now is 28.5 secs Computing kpt #: 30 total cpu time spent up to now is 29.4 secs Computing kpt #: 31 total cpu time spent up to now is 30.3 secs Computing kpt #: 32 total cpu time spent up to now is 31.3 secs Computing kpt #: 33 total cpu time spent up to now is 32.2 secs Computing kpt #: 34 total cpu time spent up to now is 33.2 secs Computing kpt #: 35 total cpu time spent up to now is 34.1 secs Computing kpt #: 36 total cpu time spent up to now is 35.1 secs Computing kpt #: 37 total cpu time spent up to now is 36.0 secs Computing kpt #: 38 total cpu time spent up to now is 37.0 secs Computing kpt #: 39 total cpu time spent up to now is 37.9 secs Computing kpt #: 40 total cpu time spent up to now is 38.8 secs Computing kpt #: 41 total cpu time spent up to now is 39.8 secs Computing kpt #: 42 total cpu time spent up to now is 40.7 secs Computing kpt #: 43 total cpu time spent up to now is 41.7 secs Computing kpt #: 44 total cpu time spent up to now is 42.7 secs Computing kpt #: 45 total cpu time spent up to now is 43.6 secs Computing kpt #: 46 total cpu time spent up to now is 44.6 secs Computing kpt #: 47 total cpu time spent up to now is 45.5 secs Computing kpt #: 48 total cpu time spent up to now is 46.4 secs Computing kpt #: 49 total cpu time spent up to now is 47.4 secs Computing kpt #: 50 total cpu time spent up to now is 48.3 secs Computing kpt #: 51 total cpu time spent up to now is 49.2 secs Computing kpt #: 52 total cpu time spent up to now is 50.1 secs Computing kpt #: 53 total cpu time spent up to now is 51.1 secs Computing kpt #: 54 total cpu time spent up to now is 52.0 secs Computing kpt #: 55 total cpu time spent up to now is 53.0 secs Computing kpt #: 56 total cpu time spent up to now is 53.9 secs Computing kpt #: 57 total cpu time spent up to now is 54.8 secs Computing kpt #: 58 total cpu time spent up to now is 55.8 secs Computing kpt #: 59 total cpu time spent up to now is 56.7 secs Computing kpt #: 60 total cpu time spent up to now is 57.6 secs Computing kpt #: 61 total cpu time spent up to now is 58.5 secs Computing kpt #: 62 total cpu time spent up to now is 59.5 secs Computing kpt #: 63 total cpu time spent up to now is 60.4 secs Computing kpt #: 64 total cpu time spent up to now is 61.3 secs Computing kpt #: 65 total cpu time spent up to now is 62.3 secs Computing kpt #: 66 total cpu time spent up to now is 63.3 secs Computing kpt #: 67 total cpu time spent up to now is 64.2 secs Computing kpt #: 68 total cpu time spent up to now is 65.1 secs Computing kpt #: 69 total cpu time spent up to now is 66.1 secs Computing kpt #: 70 total cpu time spent up to now is 67.1 secs Computing kpt #: 71 total cpu time spent up to now is 68.0 secs Computing kpt #: 72 total cpu time spent up to now is 69.0 secs Computing kpt #: 73 total cpu time spent up to now is 69.9 secs Computing kpt #: 74 total cpu time spent up to now is 70.8 secs Computing kpt #: 75 total cpu time spent up to now is 71.8 secs Computing kpt #: 76 total cpu time spent up to now is 72.7 secs Computing kpt #: 77 total cpu time spent up to now is 73.6 secs Computing kpt #: 78 total cpu time spent up to now is 74.6 secs Computing kpt #: 79 total cpu time spent up to now is 75.4 secs Computing kpt #: 80 total cpu time spent up to now is 76.3 secs Computing kpt #: 81 total cpu time spent up to now is 77.3 secs Computing kpt #: 82 total cpu time spent up to now is 78.2 secs Computing kpt #: 83 total cpu time spent up to now is 79.1 secs Computing kpt #: 84 total cpu time spent up to now is 80.1 secs Computing kpt #: 85 total cpu time spent up to now is 81.0 secs Computing kpt #: 86 total cpu time spent up to now is 82.0 secs Computing kpt #: 87 total cpu time spent up to now is 83.0 secs Computing kpt #: 88 total cpu time spent up to now is 84.0 secs Computing kpt #: 89 total cpu time spent up to now is 85.0 secs Computing kpt #: 90 total cpu time spent up to now is 86.1 secs Computing kpt #: 91 total cpu time spent up to now is 87.0 secs Computing kpt #: 92 total cpu time spent up to now is 88.0 secs Computing kpt #: 93 total cpu time spent up to now is 89.1 secs Computing kpt #: 94 total cpu time spent up to now is 90.0 secs Computing kpt #: 95 total cpu time spent up to now is 91.0 secs Computing kpt #: 96 total cpu time spent up to now is 92.0 secs Computing kpt #: 97 total cpu time spent up to now is 92.9 secs Computing kpt #: 98 total cpu time spent up to now is 93.9 secs Computing kpt #: 99 total cpu time spent up to now is 94.9 secs Computing kpt #: 100 total cpu time spent up to now is 95.9 secs Computing kpt #: 101 total cpu time spent up to now is 96.8 secs Computing kpt #: 102 total cpu time spent up to now is 97.8 secs Computing kpt #: 103 total cpu time spent up to now is 98.9 secs Computing kpt #: 104 total cpu time spent up to now is 99.9 secs Computing kpt #: 105 total cpu time spent up to now is 100.8 secs Computing kpt #: 106 total cpu time spent up to now is 101.8 secs Computing kpt #: 107 total cpu time spent up to now is 102.8 secs Computing kpt #: 108 total cpu time spent up to now is 103.7 secs Computing kpt #: 109 total cpu time spent up to now is 104.6 secs Computing kpt #: 110 total cpu time spent up to now is 105.6 secs Computing kpt #: 111 total cpu time spent up to now is 106.5 secs Computing kpt #: 112 total cpu time spent up to now is 107.4 secs Computing kpt #: 113 total cpu time spent up to now is 108.3 secs Computing kpt #: 114 total cpu time spent up to now is 109.3 secs Computing kpt #: 115 total cpu time spent up to now is 110.2 secs Computing kpt #: 116 total cpu time spent up to now is 111.1 secs Computing kpt #: 117 total cpu time spent up to now is 112.0 secs Computing kpt #: 118 total cpu time spent up to now is 113.0 secs Computing kpt #: 119 total cpu time spent up to now is 113.9 secs Computing kpt #: 120 total cpu time spent up to now is 114.8 secs Computing kpt #: 121 total cpu time spent up to now is 115.7 secs Computing kpt #: 122 total cpu time spent up to now is 116.7 secs Computing kpt #: 123 total cpu time spent up to now is 117.6 secs Computing kpt #: 124 total cpu time spent up to now is 118.6 secs Computing kpt #: 125 total cpu time spent up to now is 119.5 secs Computing kpt #: 126 total cpu time spent up to now is 120.5 secs Computing kpt #: 127 total cpu time spent up to now is 121.5 secs Computing kpt #: 128 total cpu time spent up to now is 122.4 secs Computing kpt #: 129 total cpu time spent up to now is 123.4 secs Computing kpt #: 130 total cpu time spent up to now is 124.4 secs Computing kpt #: 131 total cpu time spent up to now is 125.4 secs Computing kpt #: 132 total cpu time spent up to now is 126.4 secs Computing kpt #: 133 total cpu time spent up to now is 127.4 secs Computing kpt #: 134 total cpu time spent up to now is 128.3 secs Computing kpt #: 135 total cpu time spent up to now is 129.3 secs Computing kpt #: 136 total cpu time spent up to now is 130.3 secs Computing kpt #: 137 total cpu time spent up to now is 131.3 secs Computing kpt #: 138 total cpu time spent up to now is 132.3 secs Computing kpt #: 139 total cpu time spent up to now is 133.3 secs Computing kpt #: 140 total cpu time spent up to now is 134.3 secs Computing kpt #: 141 total cpu time spent up to now is 135.3 secs Computing kpt #: 142 total cpu time spent up to now is 136.2 secs Computing kpt #: 143 total cpu time spent up to now is 137.2 secs Computing kpt #: 144 total cpu time spent up to now is 138.2 secs Computing kpt #: 145 total cpu time spent up to now is 139.2 secs Computing kpt #: 146 total cpu time spent up to now is 140.2 secs Computing kpt #: 147 total cpu time spent up to now is 141.2 secs Computing kpt #: 148 total cpu time spent up to now is 142.1 secs Computing kpt #: 149 total cpu time spent up to now is 143.1 secs Computing kpt #: 150 total cpu time spent up to now is 144.1 secs Computing kpt #: 151 total cpu time spent up to now is 145.1 secs Computing kpt #: 152 total cpu time spent up to now is 146.0 secs Computing kpt #: 153 total cpu time spent up to now is 147.0 secs Computing kpt #: 154 total cpu time spent up to now is 147.9 secs Computing kpt #: 155 total cpu time spent up to now is 148.9 secs Computing kpt #: 156 total cpu time spent up to now is 149.9 secs Computing kpt #: 157 total cpu time spent up to now is 150.9 secs Computing kpt #: 158 total cpu time spent up to now is 151.9 secs Computing kpt #: 159 total cpu time spent up to now is 152.9 secs Computing kpt #: 160 total cpu time spent up to now is 153.8 secs Computing kpt #: 161 total cpu time spent up to now is 154.8 secs Computing kpt #: 162 total cpu time spent up to now is 155.8 secs Computing kpt #: 163 total cpu time spent up to now is 156.7 secs Computing kpt #: 164 total cpu time spent up to now is 157.6 secs Computing kpt #: 165 total cpu time spent up to now is 158.6 secs Computing kpt #: 166 total cpu time spent up to now is 159.5 secs Computing kpt #: 167 total cpu time spent up to now is 160.4 secs Computing kpt #: 168 total cpu time spent up to now is 161.3 secs Computing kpt #: 169 total cpu time spent up to now is 162.2 secs Computing kpt #: 170 total cpu time spent up to now is 163.2 secs Computing kpt #: 171 total cpu time spent up to now is 164.2 secs Computing kpt #: 172 total cpu time spent up to now is 165.2 secs Computing kpt #: 173 total cpu time spent up to now is 166.1 secs Computing kpt #: 174 total cpu time spent up to now is 167.1 secs Computing kpt #: 175 total cpu time spent up to now is 168.0 secs Computing kpt #: 176 total cpu time spent up to now is 169.0 secs Computing kpt #: 177 total cpu time spent up to now is 169.9 secs Computing kpt #: 178 total cpu time spent up to now is 170.9 secs Computing kpt #: 179 total cpu time spent up to now is 171.8 secs Computing kpt #: 180 total cpu time spent up to now is 172.8 secs Computing kpt #: 181 total cpu time spent up to now is 173.7 secs Computing kpt #: 182 total cpu time spent up to now is 174.6 secs Computing kpt #: 183 total cpu time spent up to now is 175.6 secs Computing kpt #: 184 total cpu time spent up to now is 176.5 secs Computing kpt #: 185 total cpu time spent up to now is 177.4 secs Computing kpt #: 186 total cpu time spent up to now is 178.3 secs Computing kpt #: 187 total cpu time spent up to now is 179.2 secs Computing kpt #: 188 total cpu time spent up to now is 180.1 secs Computing kpt #: 189 total cpu time spent up to now is 181.0 secs Computing kpt #: 190 total cpu time spent up to now is 181.9 secs Computing kpt #: 191 total cpu time spent up to now is 182.8 secs Computing kpt #: 192 total cpu time spent up to now is 183.7 secs Computing kpt #: 193 total cpu time spent up to now is 184.6 secs Computing kpt #: 194 total cpu time spent up to now is 185.5 secs Computing kpt #: 195 total cpu time spent up to now is 186.4 secs Computing kpt #: 196 total cpu time spent up to now is 187.3 secs Computing kpt #: 197 total cpu time spent up to now is 188.2 secs Computing kpt #: 198 total cpu time spent up to now is 189.2 secs Computing kpt #: 199 total cpu time spent up to now is 190.1 secs Computing kpt #: 200 total cpu time spent up to now is 191.0 secs Computing kpt #: 201 total cpu time spent up to now is 191.9 secs Computing kpt #: 202 total cpu time spent up to now is 192.8 secs Computing kpt #: 203 total cpu time spent up to now is 193.7 secs Computing kpt #: 204 total cpu time spent up to now is 194.6 secs Computing kpt #: 205 total cpu time spent up to now is 195.6 secs Computing kpt #: 206 total cpu time spent up to now is 196.5 secs Computing kpt #: 207 total cpu time spent up to now is 197.4 secs Computing kpt #: 208 total cpu time spent up to now is 198.3 secs Computing kpt #: 209 total cpu time spent up to now is 199.2 secs Computing kpt #: 210 total cpu time spent up to now is 200.1 secs Computing kpt #: 211 total cpu time spent up to now is 201.0 secs Computing kpt #: 212 total cpu time spent up to now is 201.9 secs Computing kpt #: 213 total cpu time spent up to now is 202.8 secs Computing kpt #: 214 total cpu time spent up to now is 203.7 secs Computing kpt #: 215 total cpu time spent up to now is 204.6 secs Computing kpt #: 216 total cpu time spent up to now is 205.5 secs Computing kpt #: 217 total cpu time spent up to now is 206.3 secs Computing kpt #: 218 total cpu time spent up to now is 207.3 secs Computing kpt #: 219 total cpu time spent up to now is 208.1 secs Computing kpt #: 220 total cpu time spent up to now is 209.0 secs Computing kpt #: 221 total cpu time spent up to now is 209.9 secs Computing kpt #: 222 total cpu time spent up to now is 210.8 secs Computing kpt #: 223 total cpu time spent up to now is 211.6 secs Computing kpt #: 224 total cpu time spent up to now is 212.5 secs Computing kpt #: 225 total cpu time spent up to now is 213.4 secs Computing kpt #: 226 total cpu time spent up to now is 214.3 secs Computing kpt #: 227 total cpu time spent up to now is 215.2 secs Computing kpt #: 228 total cpu time spent up to now is 216.1 secs Computing kpt #: 229 total cpu time spent up to now is 217.0 secs Computing kpt #: 230 total cpu time spent up to now is 217.9 secs Computing kpt #: 231 total cpu time spent up to now is 218.8 secs Computing kpt #: 232 total cpu time spent up to now is 219.7 secs Computing kpt #: 233 total cpu time spent up to now is 220.7 secs Computing kpt #: 234 total cpu time spent up to now is 221.6 secs Computing kpt #: 235 total cpu time spent up to now is 222.5 secs Computing kpt #: 236 total cpu time spent up to now is 223.5 secs Computing kpt #: 237 total cpu time spent up to now is 224.4 secs Computing kpt #: 238 total cpu time spent up to now is 225.4 secs Computing kpt #: 239 total cpu time spent up to now is 226.4 secs Computing kpt #: 240 total cpu time spent up to now is 227.4 secs Computing kpt #: 241 total cpu time spent up to now is 228.4 secs Computing kpt #: 242 total cpu time spent up to now is 229.4 secs Computing kpt #: 243 total cpu time spent up to now is 230.5 secs Computing kpt #: 244 total cpu time spent up to now is 231.7 secs Computing kpt #: 245 total cpu time spent up to now is 232.8 secs Computing kpt #: 246 total cpu time spent up to now is 233.9 secs Computing kpt #: 247 total cpu time spent up to now is 234.8 secs Computing kpt #: 248 total cpu time spent up to now is 235.8 secs Computing kpt #: 249 total cpu time spent up to now is 236.7 secs Computing kpt #: 250 total cpu time spent up to now is 237.6 secs Computing kpt #: 251 total cpu time spent up to now is 238.6 secs Computing kpt #: 252 total cpu time spent up to now is 239.5 secs Computing kpt #: 253 total cpu time spent up to now is 240.4 secs Computing kpt #: 254 total cpu time spent up to now is 241.3 secs ethr = 1.56E-08, avg # of iterations = 18.9 total cpu time spent up to now is 241.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6875 PWs) bands (ev): -20.9805 -20.9805 -20.9562 -20.9562 -17.7840 -17.7840 -17.6540 -17.6540 -13.4899 -13.4899 -13.4683 -13.4683 -9.1179 -9.1179 -8.5852 -8.5852 -7.5703 -7.5703 -7.5178 -7.5178 -5.6876 -5.6876 -5.6172 -5.6172 -5.5648 -5.5648 -5.5150 -5.5150 -2.0705 -2.0705 -2.0348 -2.0348 -1.8682 -1.8682 -1.6655 -1.6655 -1.5482 -1.5482 -1.3947 -1.3947 0.3731 0.3731 0.3900 0.3900 2.2648 2.2648 2.6738 2.6738 2.7704 2.7704 2.8528 2.8528 3.5317 3.5317 3.7263 3.7263 3.8072 3.8072 3.9058 3.9058 4.0780 4.0780 4.3035 4.3035 8.7681 8.7681 9.2048 9.2048 9.2713 9.2713 9.8552 9.8552 10.1484 10.1484 10.2628 10.2628 k = 0.0000 0.0000 0.0141 ( 6873 PWs) bands (ev): -20.9805 -20.9805 -20.9563 -20.9563 -17.7840 -17.7840 -17.6540 -17.6540 -13.4899 -13.4899 -13.4683 -13.4683 -9.1178 -9.1178 -8.5852 -8.5852 -7.5708 -7.5708 -7.5174 -7.5174 -5.6876 -5.6876 -5.6181 -5.6181 -5.5648 -5.5648 -5.5140 -5.5140 -2.0707 -2.0707 -2.0349 -2.0349 -1.8678 -1.8678 -1.6657 -1.6657 -1.5481 -1.5481 -1.3948 -1.3948 0.3730 0.3730 0.3900 0.3900 2.2646 2.2646 2.6739 2.6739 2.7704 2.7704 2.8527 2.8527 3.5318 3.5318 3.7264 3.7264 3.8070 3.8070 3.9058 3.9058 4.0787 4.0787 4.3033 4.3033 8.7664 8.7664 9.2041 9.2041 9.2723 9.2723 9.8555 9.8555 10.1453 10.1453 10.2701 10.2701 k = 0.0000 0.0000 0.0282 ( 6872 PWs) bands (ev): -20.9804 -20.9804 -20.9564 -20.9564 -17.7840 -17.7840 -17.6540 -17.6540 -13.4899 -13.4899 -13.4683 -13.4683 -9.1176 -9.1176 -8.5851 -8.5851 -7.5721 -7.5721 -7.5163 -7.5163 -5.6876 -5.6876 -5.6209 -5.6209 -5.5649 -5.5649 -5.5111 -5.5111 -2.0711 -2.0711 -2.0352 -2.0352 -1.8665 -1.8665 -1.6661 -1.6661 -1.5479 -1.5479 -1.3951 -1.3951 0.3727 0.3727 0.3903 0.3903 2.2640 2.2640 2.6741 2.6741 2.7701 2.7701 2.8526 2.8526 3.5322 3.5322 3.7264 3.7264 3.8064 3.8064 3.9058 3.9058 4.0806 4.0806 4.3029 4.3029 8.7615 8.7615 9.2020 9.2020 9.2752 9.2752 9.8565 9.8565 10.1385 10.1385 10.2893 10.2893 k = 0.0000 0.0000 0.0423 ( 6875 PWs) bands (ev): -20.9802 -20.9802 -20.9565 -20.9565 -17.7840 -17.7840 -17.6540 -17.6540 -13.4899 -13.4899 -13.4683 -13.4683 -9.1172 -9.1172 -8.5851 -8.5851 -7.5743 -7.5743 -7.5146 -7.5146 -5.6876 -5.6876 -5.6251 -5.6251 -5.5652 -5.5652 -5.5067 -5.5067 -2.0719 -2.0719 -2.0356 -2.0356 -1.8644 -1.8644 -1.6668 -1.6668 -1.5476 -1.5476 -1.3955 -1.3955 0.3722 0.3722 0.3906 0.3906 2.2631 2.2631 2.6744 2.6744 2.7698 2.7698 2.8524 2.8524 3.5327 3.5327 3.7265 3.7265 3.8054 3.8054 3.9058 3.9058 4.0837 4.0837 4.3023 4.3023 8.7536 8.7536 9.1986 9.1986 9.2796 9.2796 9.8580 9.8580 10.1324 10.1324 10.3156 10.3156 k = 0.0000 0.0000 0.0563 ( 6876 PWs) bands (ev): -20.9800 -20.9800 -20.9568 -20.9568 -17.7840 -17.7840 -17.6540 -17.6540 -13.4899 -13.4899 -13.4683 -13.4683 -9.1166 -9.1166 -8.5850 -8.5850 -7.5770 -7.5770 -7.5125 -7.5125 -5.6878 -5.6878 -5.6302 -5.6302 -5.5657 -5.5657 -5.5011 -5.5011 -2.0728 -2.0728 -2.0362 -2.0362 -1.8616 -1.8616 -1.6678 -1.6678 -1.5472 -1.5472 -1.3961 -1.3961 0.3715 0.3715 0.3910 0.3910 2.2618 2.2618 2.6748 2.6748 2.7693 2.7693 2.8520 2.8520 3.5336 3.5336 3.7267 3.7267 3.8040 3.8040 3.9058 3.9058 4.0880 4.0880 4.3013 4.3013 8.7433 8.7433 9.1939 9.1939 9.2850 9.2850 9.8600 9.8600 10.1296 10.1296 10.3451 10.3451 k = 0.0000 0.0000 0.0704 ( 6873 PWs) bands (ev): -20.9797 -20.9797 -20.9571 -20.9571 -17.7840 -17.7840 -17.6540 -17.6540 -13.4899 -13.4899 -13.4683 -13.4683 -9.1159 -9.1159 -8.5850 -8.5850 -7.5802 -7.5802 -7.5101 -7.5101 -5.6881 -5.6881 -5.6356 -5.6356 -5.5665 -5.5665 -5.4946 -5.4946 -2.0741 -2.0741 -2.0370 -2.0370 -1.8580 -1.8580 -1.6691 -1.6691 -1.5467 -1.5467 -1.3968 -1.3968 0.3708 0.3708 0.3915 0.3915 2.2602 2.2602 2.6753 2.6753 2.7688 2.7688 2.8515 2.8515 3.5346 3.5346 3.7269 3.7269 3.8024 3.8024 3.9057 3.9057 4.0934 4.0934 4.3002 4.3002 8.7312 8.7312 9.1882 9.1882 9.2910 9.2910 9.8626 9.8626 10.1313 10.1313 10.3750 10.3750 k = 0.0000 0.0000 0.0845 ( 6875 PWs) bands (ev): -20.9794 -20.9794 -20.9574 -20.9574 -17.7841 -17.7841 -17.6540 -17.6540 -13.4899 -13.4899 -13.4683 -13.4683 -9.1151 -9.1151 -8.5849 -8.5849 -7.5837 -7.5837 -7.5075 -7.5075 -5.6888 -5.6888 -5.6408 -5.6408 -5.5675 -5.5675 -5.4876 -5.4876 -2.0755 -2.0755 -2.0378 -2.0378 -1.8538 -1.8538 -1.6707 -1.6707 -1.5461 -1.5461 -1.3977 -1.3977 0.3700 0.3700 0.3920 0.3920 2.2583 2.2583 2.6759 2.6759 2.7682 2.7682 2.8508 2.8508 3.5358 3.5358 3.7271 3.7271 3.8004 3.8004 3.9057 3.9057 4.0997 4.0997 4.2988 4.2988 8.7178 8.7178 9.1816 9.1816 9.2970 9.2970 9.8655 9.8655 10.1381 10.1381 10.4029 10.4029 k = 0.0000 0.0000 0.0986 ( 6867 PWs) bands (ev): -20.9789 -20.9789 -20.9578 -20.9578 -17.7841 -17.7841 -17.6540 -17.6540 -13.4899 -13.4899 -13.4682 -13.4682 -9.1142 -9.1142 -8.5848 -8.5848 -7.5873 -7.5873 -7.5048 -7.5048 -5.6901 -5.6901 -5.6455 -5.6455 -5.5688 -5.5688 -5.4804 -5.4804 -2.0770 -2.0770 -2.0388 -2.0388 -1.8490 -1.8490 -1.6725 -1.6725 -1.5454 -1.5454 -1.3987 -1.3987 0.3691 0.3691 0.3925 0.3925 2.2562 2.2562 2.6766 2.6766 2.7677 2.7677 2.8500 2.8500 3.5371 3.5371 3.7273 3.7273 3.7981 3.7981 3.9056 3.9056 4.1070 4.1070 4.2971 4.2971 8.7037 8.7037 9.1742 9.1742 9.3027 9.3027 9.8688 9.8688 10.1499 10.1499 10.4267 10.4267 k = 0.0000 0.0000 0.1127 ( 6873 PWs) bands (ev): -20.9785 -20.9785 -20.9583 -20.9583 -17.7841 -17.7841 -17.6540 -17.6540 -13.4899 -13.4899 -13.4682 -13.4682 -9.1133 -9.1133 -8.5847 -8.5847 -7.5911 -7.5911 -7.5021 -7.5021 -5.6922 -5.6922 -5.6493 -5.6493 -5.5703 -5.5703 -5.4732 -5.4732 -2.0787 -2.0787 -2.0398 -2.0398 -1.8438 -1.8438 -1.6746 -1.6746 -1.5447 -1.5447 -1.3998 -1.3998 0.3681 0.3681 0.3931 0.3931 2.2540 2.2540 2.6773 2.6773 2.7673 2.7673 2.8490 2.8490 3.5387 3.5387 3.7276 3.7276 3.7955 3.7955 3.9055 3.9055 4.1150 4.1150 4.2951 4.2951 8.6893 8.6893 9.1663 9.1663 9.3080 9.3080 9.8722 9.8722 10.1661 10.1661 10.4452 10.4452 k = 0.0000 0.0000 0.1268 ( 6876 PWs) bands (ev): -20.9779 -20.9779 -20.9588 -20.9588 -17.7842 -17.7842 -17.6540 -17.6540 -13.4899 -13.4899 -13.4682 -13.4682 -9.1122 -9.1122 -8.5845 -8.5845 -7.5949 -7.5949 -7.4995 -7.4995 -5.6950 -5.6950 -5.6520 -5.6520 -5.5720 -5.5720 -5.4661 -5.4661 -2.0804 -2.0804 -2.0408 -2.0408 -1.8381 -1.8381 -1.6770 -1.6770 -1.5439 -1.5439 -1.4010 -1.4010 0.3672 0.3672 0.3936 0.3936 2.2516 2.2516 2.6781 2.6781 2.7670 2.7670 2.8478 2.8478 3.5403 3.5403 3.7279 3.7279 3.7927 3.7927 3.9054 3.9054 4.1236 4.1236 4.2929 4.2929 8.6750 8.6750 9.1580 9.1580 9.3128 9.3128 9.8758 9.8758 10.1862 10.1862 10.4578 10.4578 k = 0.0000 0.0000 0.1408 ( 6872 PWs) bands (ev): -20.9774 -20.9774 -20.9594 -20.9594 -17.7842 -17.7842 -17.6540 -17.6540 -13.4900 -13.4900 -13.4681 -13.4681 -9.1111 -9.1111 -8.5844 -8.5844 -7.5986 -7.5986 -7.4970 -7.4970 -5.6987 -5.6987 -5.6535 -5.6535 -5.5738 -5.5738 -5.4592 -5.4592 -2.0822 -2.0822 -2.0418 -2.0418 -1.8321 -1.8321 -1.6797 -1.6797 -1.5431 -1.5431 -1.4022 -1.4022 0.3663 0.3663 0.3941 0.3941 2.2492 2.2492 2.6789 2.6789 2.7668 2.7668 2.8464 2.8464 3.5420 3.5420 3.7282 3.7282 3.7898 3.7898 3.9053 3.9053 4.1327 4.1327 4.2905 4.2905 8.6612 8.6612 9.1495 9.1495 9.3170 9.3170 9.8794 9.8794 10.2090 10.2090 10.4651 10.4651 k = 0.0000 0.0000 0.1549 ( 6874 PWs) bands (ev): -20.9767 -20.9767 -20.9600 -20.9600 -17.7843 -17.7843 -17.6540 -17.6540 -13.4900 -13.4900 -13.4681 -13.4681 -9.1100 -9.1100 -8.5843 -8.5843 -7.6021 -7.6021 -7.4947 -7.4947 -5.7028 -5.7028 -5.6540 -5.6540 -5.5758 -5.5758 -5.4526 -5.4526 -2.0839 -2.0839 -2.0429 -2.0429 -1.8258 -1.8258 -1.6826 -1.6826 -1.5423 -1.5423 -1.4035 -1.4035 0.3654 0.3654 0.3945 0.3945 2.2468 2.2468 2.6797 2.6797 2.7668 2.7668 2.8449 2.8449 3.5438 3.5438 3.7286 3.7286 3.7868 3.7868 3.9052 3.9052 4.1421 4.1421 4.2877 4.2877 8.6482 8.6482 9.1410 9.1410 9.3209 9.3209 9.8830 9.8830 10.2332 10.2332 10.4686 10.4686 k = 0.0000 0.0000 0.1690 ( 6877 PWs) bands (ev): -20.9761 -20.9761 -20.9607 -20.9607 -17.7843 -17.7843 -17.6540 -17.6540 -13.4900 -13.4900 -13.4681 -13.4681 -9.1089 -9.1089 -8.5842 -8.5842 -7.6056 -7.6056 -7.4925 -7.4925 -5.7073 -5.7073 -5.6538 -5.6538 -5.5779 -5.5779 -5.4465 -5.4465 -2.0856 -2.0856 -2.0439 -2.0439 -1.8194 -1.8194 -1.6857 -1.6857 -1.5415 -1.5415 -1.4048 -1.4048 0.3646 0.3646 0.3950 0.3950 2.2444 2.2444 2.6805 2.6805 2.7669 2.7669 2.8432 2.8432 3.5456 3.5456 3.7290 3.7290 3.7837 3.7837 3.9051 3.9051 4.1517 4.1517 4.2847 4.2847 8.6360 8.6360 9.1327 9.1327 9.3244 9.3244 9.8865 9.8865 10.2572 10.2572 10.4700 10.4700 k = 0.0000 0.0000 0.1831 ( 6869 PWs) bands (ev): -20.9753 -20.9753 -20.9614 -20.9614 -17.7844 -17.7844 -17.6540 -17.6540 -13.4900 -13.4900 -13.4680 -13.4680 -9.1079 -9.1079 -8.5841 -8.5841 -7.6087 -7.6087 -7.4905 -7.4905 -5.7117 -5.7117 -5.6530 -5.6530 -5.5800 -5.5800 -5.4408 -5.4408 -2.0872 -2.0872 -2.0448 -2.0448 -1.8129 -1.8129 -1.6891 -1.6891 -1.5408 -1.5408 -1.4060 -1.4060 0.3638 0.3638 0.3953 0.3953 2.2422 2.2422 2.6813 2.6813 2.7672 2.7672 2.8414 2.8414 3.5474 3.5474 3.7295 3.7295 3.7806 3.7806 3.9050 3.9050 4.1613 4.1613 4.2815 4.2815 8.6248 8.6248 9.1247 9.1247 9.3277 9.3277 9.8897 9.8897 10.2792 10.2792 10.4716 10.4716 k = 0.0000 0.0000 0.1972 ( 6869 PWs) bands (ev): -20.9746 -20.9746 -20.9621 -20.9621 -17.7844 -17.7844 -17.6540 -17.6540 -13.4900 -13.4900 -13.4680 -13.4680 -9.1069 -9.1069 -8.5840 -8.5840 -7.6116 -7.6116 -7.4887 -7.4887 -5.7159 -5.7159 -5.6518 -5.6518 -5.5821 -5.5821 -5.4357 -5.4357 -2.0886 -2.0886 -2.0457 -2.0457 -1.8065 -1.8065 -1.6926 -1.6926 -1.5401 -1.5401 -1.4073 -1.4073 0.3631 0.3631 0.3957 0.3957 2.2400 2.2400 2.6820 2.6820 2.7676 2.7676 2.8396 2.8396 3.5491 3.5491 3.7300 3.7300 3.7776 3.7776 3.9049 3.9049 4.1708 4.1708 4.2779 4.2779 8.6149 8.6149 9.1173 9.1173 9.3307 9.3307 9.8927 9.8927 10.2972 10.2972 10.4754 10.4754 k = 0.0000 0.0000 0.2113 ( 6859 PWs) bands (ev): -20.9738 -20.9738 -20.9629 -20.9629 -17.7844 -17.7844 -17.6540 -17.6540 -13.4900 -13.4900 -13.4680 -13.4680 -9.1060 -9.1060 -8.5839 -8.5839 -7.6142 -7.6142 -7.4871 -7.4871 -5.7198 -5.7198 -5.6505 -5.6505 -5.5841 -5.5841 -5.4312 -5.4312 -2.0900 -2.0900 -2.0465 -2.0465 -1.8002 -1.8002 -1.6961 -1.6961 -1.5394 -1.5394 -1.4084 -1.4084 0.3625 0.3625 0.3959 0.3959 2.2381 2.2381 2.6828 2.6828 2.7681 2.7681 2.8378 2.8378 3.5507 3.5507 3.7305 3.7305 3.7747 3.7747 3.9048 3.9048 4.1801 4.1801 4.2741 4.2741 8.6061 8.6061 9.1106 9.1106 9.3335 9.3335 9.8954 9.8954 10.3098 10.3098 10.4827 10.4827 k = 0.0000 0.0000 0.2254 ( 6862 PWs) bands (ev): -20.9731 -20.9731 -20.9637 -20.9637 -17.7845 -17.7845 -17.6540 -17.6540 -13.4900 -13.4900 -13.4680 -13.4680 -9.1051 -9.1051 -8.5838 -8.5838 -7.6165 -7.6165 -7.4857 -7.4857 -5.7232 -5.7232 -5.6491 -5.6491 -5.5860 -5.5860 -5.4273 -5.4273 -2.0911 -2.0911 -2.0472 -2.0472 -1.7943 -1.7943 -1.6997 -1.6997 -1.5389 -1.5389 -1.4094 -1.4094 0.3619 0.3619 0.3962 0.3962 2.2364 2.2364 2.6834 2.6834 2.7686 2.7686 2.8361 2.8361 3.5521 3.5521 3.7311 3.7311 3.7720 3.7720 3.9047 3.9047 4.1890 4.1890 4.2701 4.2701 8.5987 8.5987 9.1047 9.1047 9.3361 9.3361 9.8978 9.8978 10.3167 10.3167 10.4935 10.4935 k = 0.0000 0.0000 0.2394 ( 6854 PWs) bands (ev): -20.9723 -20.9723 -20.9645 -20.9645 -17.7845 -17.7845 -17.6540 -17.6540 -13.4900 -13.4900 -13.4679 -13.4679 -9.1044 -9.1044 -8.5837 -8.5837 -7.6184 -7.6184 -7.4846 -7.4846 -5.7261 -5.7261 -5.6478 -5.6478 -5.5877 -5.5877 -5.4241 -5.4241 -2.0921 -2.0921 -2.0477 -2.0477 -1.7889 -1.7889 -1.7031 -1.7031 -1.5384 -1.5384 -1.4102 -1.4102 0.3615 0.3615 0.3964 0.3964 2.2350 2.2350 2.6840 2.6840 2.7691 2.7691 2.8345 2.8345 3.5534 3.5534 3.7316 3.7316 3.7696 3.7696 3.9046 3.9046 4.1973 4.1973 4.2659 4.2659 8.5926 8.5926 9.0997 9.0997 9.3384 9.3384 9.8997 9.8997 10.3193 10.3193 10.5063 10.5063 k = 0.0000 0.0000 0.2535 ( 6853 PWs) bands (ev): -20.9715 -20.9715 -20.9652 -20.9652 -17.7845 -17.7845 -17.6540 -17.6540 -13.4900 -13.4900 -13.4679 -13.4679 -9.1039 -9.1039 -8.5836 -8.5836 -7.6199 -7.6199 -7.4837 -7.4837 -5.7284 -5.7284 -5.6466 -5.6466 -5.5892 -5.5892 -5.4216 -5.4216 -2.0928 -2.0928 -2.0482 -2.0482 -1.7842 -1.7842 -1.7062 -1.7062 -1.5380 -1.5380 -1.4110 -1.4110 0.3611 0.3611 0.3965 0.3965 2.2338 2.2338 2.6845 2.6845 2.7696 2.7696 2.8332 2.8332 3.5544 3.5544 3.7321 3.7321 3.7676 3.7676 3.9045 3.9045 4.2047 4.2047 4.2617 4.2617 8.5878 8.5878 9.0957 9.0957 9.3403 9.3403 9.9013 9.9013 10.3192 10.3192 10.5190 10.5190 k = 0.0000 0.0000 0.2676 ( 6851 PWs) bands (ev): -20.9708 -20.9708 -20.9660 -20.9660 -17.7845 -17.7845 -17.6540 -17.6540 -13.4901 -13.4901 -13.4679 -13.4679 -9.1035 -9.1035 -8.5836 -8.5836 -7.6210 -7.6210 -7.4831 -7.4831 -5.7300 -5.7300 -5.6456 -5.6456 -5.5903 -5.5903 -5.4198 -5.4198 -2.0934 -2.0934 -2.0485 -2.0485 -1.7805 -1.7805 -1.7087 -1.7087 -1.5377 -1.5377 -1.4115 -1.4115 0.3609 0.3609 0.3966 0.3966 2.2330 2.2330 2.6849 2.6849 2.7700 2.7700 2.8322 2.8322 3.5551 3.5551 3.7325 3.7325 3.7662 3.7662 3.9045 3.9045 4.2110 4.2110 4.2578 4.2578 8.5844 8.5844 9.0928 9.0928 9.3417 9.3417 9.9024 9.9024 10.3181 10.3181 10.5295 10.5295 k = 0.0000 0.0000 0.2817 ( 6851 PWs) bands (ev): -20.9702 -20.9702 -20.9665 -20.9665 -17.7845 -17.7845 -17.6539 -17.6539 -13.4901 -13.4901 -13.4679 -13.4679 -9.1032 -9.1032 -8.5836 -8.5836 -7.6216 -7.6216 -7.4827 -7.4827 -5.7310 -5.7310 -5.6451 -5.6451 -5.5910 -5.5910 -5.4187 -5.4187 -2.0937 -2.0937 -2.0487 -2.0487 -1.7781 -1.7781 -1.7104 -1.7104 -1.5375 -1.5375 -1.4118 -1.4118 0.3607 0.3607 0.3967 0.3967 2.2325 2.2325 2.6851 2.6851 2.7702 2.7702 2.8316 2.8316 3.5556 3.5556 3.7328 3.7328 3.7652 3.7652 3.9044 3.9044 4.2154 4.2154 4.2549 4.2549 8.5823 8.5823 9.0910 9.0910 9.3426 9.3426 9.9031 9.9031 10.3170 10.3170 10.5364 10.5364 k = 0.0000 0.0000 0.2958 ( 6844 PWs) bands (ev): -20.9700 -20.9700 -20.9668 -20.9668 -17.7845 -17.7845 -17.6539 -17.6539 -13.4901 -13.4901 -13.4679 -13.4679 -9.1031 -9.1031 -8.5835 -8.5835 -7.6218 -7.6218 -7.4826 -7.4826 -5.7314 -5.7314 -5.6448 -5.6448 -5.5913 -5.5913 -5.4183 -5.4183 -2.0938 -2.0938 -2.0488 -2.0488 -1.7773 -1.7773 -1.7110 -1.7110 -1.5375 -1.5375 -1.4119 -1.4119 0.3607 0.3607 0.3967 0.3967 2.2323 2.2323 2.6852 2.6852 2.7703 2.7703 2.8314 2.8314 3.5558 3.5558 3.7329 3.7329 3.7649 3.7649 3.9044 3.9044 4.2171 4.2171 4.2538 4.2538 8.5816 8.5816 9.0904 9.0904 9.3429 9.3429 9.9033 9.9033 10.3166 10.3166 10.5388 10.5388 k = 0.0000 0.0000 0.2958 ( 6844 PWs) bands (ev): -20.9700 -20.9700 -20.9668 -20.9668 -17.7845 -17.7845 -17.6539 -17.6539 -13.4901 -13.4901 -13.4679 -13.4679 -9.1031 -9.1031 -8.5835 -8.5835 -7.6218 -7.6218 -7.4826 -7.4826 -5.7314 -5.7314 -5.6448 -5.6448 -5.5913 -5.5913 -5.4183 -5.4183 -2.0938 -2.0938 -2.0488 -2.0488 -1.7773 -1.7773 -1.7110 -1.7110 -1.5375 -1.5375 -1.4119 -1.4119 0.3607 0.3607 0.3967 0.3967 2.2323 2.2323 2.6852 2.6852 2.7703 2.7703 2.8314 2.8314 3.5558 3.5558 3.7329 3.7329 3.7649 3.7649 3.9044 3.9044 4.2171 4.2171 4.2538 4.2538 8.5816 8.5816 9.0904 9.0904 9.3429 9.3429 9.9033 9.9033 10.3166 10.3166 10.5388 10.5388 k = 0.0000 0.0139 0.2958 ( 6850 PWs) bands (ev): -20.9700 -20.9700 -20.9667 -20.9667 -17.7845 -17.7845 -17.6540 -17.6540 -13.4901 -13.4901 -13.4679 -13.4679 -9.1031 -9.1031 -8.5845 -8.5845 -7.6218 -7.6218 -7.4821 -7.4821 -5.7315 -5.7315 -5.6443 -5.6443 -5.5913 -5.5913 -5.4181 -5.4181 -2.0937 -2.0937 -2.0491 -2.0491 -1.7767 -1.7767 -1.7097 -1.7097 -1.5378 -1.5378 -1.4114 -1.4114 0.3588 0.3588 0.3954 0.3954 2.2323 2.2323 2.6857 2.6857 2.7707 2.7707 2.8325 2.8325 3.5549 3.5549 3.7312 3.7312 3.7649 3.7649 3.9063 3.9063 4.2107 4.2107 4.2590 4.2590 8.5839 8.5839 9.0905 9.0905 9.3453 9.3453 9.9005 9.9005 10.3161 10.3161 10.5406 10.5406 k = 0.0000 0.0278 0.2958 ( 6850 PWs) bands (ev): -20.9699 -20.9699 -20.9667 -20.9667 -17.7846 -17.7846 -17.6540 -17.6540 -13.4902 -13.4902 -13.4678 -13.4678 -9.1031 -9.1031 -8.5874 -8.5874 -7.6215 -7.6215 -7.4804 -7.4804 -5.7318 -5.7318 -5.6427 -5.6427 -5.5912 -5.5912 -5.4173 -5.4173 -2.0934 -2.0934 -2.0499 -2.0499 -1.7750 -1.7750 -1.7059 -1.7059 -1.5389 -1.5389 -1.4101 -1.4101 0.3534 0.3534 0.3915 0.3915 2.2322 2.2322 2.6870 2.6870 2.7719 2.7719 2.8358 2.8358 3.5522 3.5522 3.7264 3.7264 3.7648 3.7648 3.9119 3.9119 4.1967 4.1967 4.2694 4.2694 8.5907 8.5907 9.0906 9.0906 9.3526 9.3526 9.8922 9.8922 10.3147 10.3147 10.5460 10.5460 k = 0.0000 0.0417 0.2958 ( 6848 PWs) bands (ev): -20.9699 -20.9699 -20.9666 -20.9666 -17.7847 -17.7847 -17.6540 -17.6540 -13.4903 -13.4903 -13.4676 -13.4676 -9.1030 -9.1030 -8.5923 -8.5923 -7.6211 -7.6211 -7.4777 -7.4777 -5.7323 -5.7323 -5.6401 -5.6401 -5.5912 -5.5912 -5.4160 -5.4160 -2.0929 -2.0929 -2.0512 -2.0512 -1.7722 -1.7722 -1.6996 -1.6996 -1.5406 -1.5406 -1.4079 -1.4079 0.3444 0.3444 0.3848 0.3848 2.2321 2.2321 2.6893 2.6893 2.7740 2.7740 2.8411 2.8411 3.5478 3.5478 3.7183 3.7183 3.7648 3.7648 3.9210 3.9210 4.1798 4.1798 4.2807 4.2807 8.6019 8.6019 9.0908 9.0908 9.3646 9.3646 9.8786 9.8786 10.3126 10.3126 10.5544 10.5544 k = 0.0000 0.0556 0.2958 ( 6851 PWs) bands (ev): -20.9698 -20.9698 -20.9665 -20.9665 -17.7849 -17.7849 -17.6541 -17.6541 -13.4905 -13.4905 -13.4673 -13.4673 -9.1029 -9.1029 -8.5989 -8.5989 -7.6204 -7.6204 -7.4742 -7.4742 -5.7328 -5.7328 -5.6367 -5.6367 -5.5911 -5.5911 -5.4143 -5.4143 -2.0923 -2.0923 -2.0531 -2.0531 -1.7682 -1.7682 -1.6909 -1.6909 -1.5430 -1.5430 -1.4047 -1.4047 0.3320 0.3320 0.3755 0.3755 2.2322 2.2322 2.6925 2.6925 2.7769 2.7769 2.8484 2.8484 3.5416 3.5416 3.7072 3.7072 3.7651 3.7651 3.9332 3.9332 4.1613 4.1613 4.2915 4.2915 8.6175 8.6175 9.0912 9.0912 9.3811 9.3811 9.8600 9.8600 10.3098 10.3098 10.5650 10.5650 k = 0.0000 0.0695 0.2958 ( 6851 PWs) bands (ev): -20.9698 -20.9698 -20.9664 -20.9664 -17.7851 -17.7851 -17.6542 -17.6542 -13.4907 -13.4907 -13.4670 -13.4670 -9.1028 -9.1028 -8.6073 -8.6073 -7.6193 -7.6193 -7.4699 -7.4699 -5.7331 -5.7331 -5.6327 -5.6327 -5.5908 -5.5908 -5.4122 -5.4122 -2.0915 -2.0915 -2.0554 -2.0554 -1.7630 -1.7630 -1.6797 -1.6797 -1.5460 -1.5460 -1.4004 -1.4004 0.3163 0.3163 0.3635 0.3635 2.2326 2.2326 2.6966 2.6966 2.7807 2.7807 2.8572 2.8572 3.5337 3.5337 3.6929 3.6929 3.7658 3.7658 3.9481 3.9481 4.1417 4.1417 4.3016 4.3016 8.6374 8.6374 9.0918 9.0918 9.4020 9.4020 9.8369 9.8369 10.3067 10.3067 10.5765 10.5765 k = 0.0000 0.0834 0.2958 ( 6846 PWs) bands (ev): -20.9697 -20.9697 -20.9662 -20.9662 -17.7853 -17.7853 -17.6543 -17.6543 -13.4910 -13.4910 -13.4666 -13.4666 -9.1025 -9.1025 -8.6173 -8.6173 -7.6179 -7.6179 -7.4651 -7.4651 -5.7332 -5.7332 -5.6281 -5.6281 -5.5904 -5.5904 -5.4098 -5.4098 -2.0905 -2.0905 -2.0581 -2.0581 -1.7569 -1.7569 -1.6662 -1.6662 -1.5496 -1.5496 -1.3951 -1.3951 0.2974 0.2974 0.3487 0.3487 2.2336 2.2336 2.7015 2.7015 2.7854 2.7854 2.8675 2.8675 3.5240 3.5240 3.6756 3.6756 3.7672 3.7672 3.9656 3.9656 4.1214 4.1214 4.3108 4.3108 8.6615 8.6615 9.0926 9.0926 9.4267 9.4267 9.8098 9.8098 10.3034 10.3034 10.5871 10.5871 k = 0.0000 0.0973 0.2958 ( 6844 PWs) bands (ev): -20.9696 -20.9696 -20.9660 -20.9660 -17.7856 -17.7856 -17.6544 -17.6544 -13.4913 -13.4913 -13.4662 -13.4662 -9.1022 -9.1022 -8.6289 -8.6289 -7.6160 -7.6160 -7.4599 -7.4599 -5.7330 -5.7330 -5.6233 -5.6233 -5.5898 -5.5898 -5.4072 -5.4072 -2.0895 -2.0895 -2.0613 -2.0613 -1.7497 -1.7497 -1.6505 -1.6505 -1.5537 -1.5537 -1.3886 -1.3886 0.2754 0.2754 0.3312 0.3312 2.2354 2.2354 2.7073 2.7073 2.7910 2.7910 2.8789 2.8789 3.5126 3.5126 3.6553 3.6553 3.7694 3.7694 3.9851 3.9851 4.1006 4.1006 4.3192 4.3192 8.6895 8.6895 9.0938 9.0938 9.4551 9.4551 9.7794 9.7794 10.3000 10.3000 10.5939 10.5939 k = 0.0000 0.1112 0.2958 ( 6848 PWs) bands (ev): -20.9695 -20.9695 -20.9658 -20.9658 -17.7859 -17.7859 -17.6545 -17.6545 -13.4917 -13.4917 -13.4658 -13.4658 -9.1017 -9.1017 -8.6418 -8.6418 -7.6135 -7.6135 -7.4545 -7.4545 -5.7323 -5.7323 -5.6185 -5.6185 -5.5887 -5.5887 -5.4045 -5.4045 -2.0885 -2.0885 -2.0647 -2.0647 -1.7417 -1.7417 -1.6325 -1.6325 -1.5584 -1.5584 -1.3807 -1.3807 0.2506 0.2506 0.3111 0.3111 2.2382 2.2382 2.7138 2.7138 2.7974 2.7974 2.8912 2.8912 3.4993 3.4993 3.6322 3.6322 3.7723 3.7723 4.0064 4.0064 4.0797 4.0797 4.3269 4.3269 8.7212 8.7212 9.0954 9.0954 9.4867 9.4867 9.7463 9.7463 10.2966 10.2966 10.5930 10.5930 k = 0.0000 0.1251 0.2958 ( 6859 PWs) bands (ev): -20.9694 -20.9694 -20.9656 -20.9656 -17.7862 -17.7862 -17.6547 -17.6547 -13.4920 -13.4920 -13.4653 -13.4653 -9.1010 -9.1010 -8.6560 -8.6560 -7.6105 -7.6105 -7.4490 -7.4490 -5.7311 -5.7311 -5.6138 -5.6138 -5.5871 -5.5871 -5.4019 -5.4019 -2.0877 -2.0877 -2.0682 -2.0682 -1.7329 -1.7329 -1.6124 -1.6124 -1.5634 -1.5634 -1.3714 -1.3714 0.2229 0.2229 0.2885 0.2885 2.2421 2.2421 2.7211 2.7211 2.8047 2.8047 2.9039 2.9039 3.4842 3.4842 3.6064 3.6064 3.7761 3.7761 4.0291 4.0291 4.0590 4.0590 4.3339 4.3339 8.7564 8.7564 9.0973 9.0973 9.5208 9.5208 9.7112 9.7112 10.2932 10.2932 10.5810 10.5810 k = 0.0000 0.1390 0.2958 ( 6849 PWs) bands (ev): -20.9693 -20.9693 -20.9654 -20.9654 -17.7866 -17.7866 -17.6548 -17.6548 -13.4924 -13.4924 -13.4648 -13.4648 -9.1002 -9.1002 -8.6712 -8.6712 -7.6069 -7.6069 -7.4437 -7.4437 -5.7293 -5.7293 -5.6096 -5.6096 -5.5847 -5.5847 -5.3993 -5.3993 -2.0872 -2.0872 -2.0715 -2.0715 -1.7237 -1.7237 -1.5905 -1.5905 -1.5684 -1.5684 -1.3606 -1.3606 0.1926 0.1926 0.2634 0.2634 2.2475 2.2475 2.7292 2.7292 2.8128 2.8128 2.9170 2.9170 3.4672 3.4672 3.5783 3.5783 3.7807 3.7807 4.0376 4.0376 4.0539 4.0539 4.3402 4.3402 8.7948 8.7948 9.0996 9.0996 9.5570 9.5570 9.6746 9.6746 10.2898 10.2898 10.5570 10.5570 k = 0.0000 0.1529 0.2958 ( 6845 PWs) bands (ev): -20.9692 -20.9692 -20.9651 -20.9651 -17.7869 -17.7869 -17.6550 -17.6550 -13.4927 -13.4927 -13.4643 -13.4643 -9.0991 -9.0991 -8.6873 -8.6873 -7.6028 -7.6028 -7.4386 -7.4386 -5.7269 -5.7269 -5.6062 -5.6062 -5.5813 -5.5813 -5.3969 -5.3969 -2.0877 -2.0877 -2.0741 -2.0741 -1.7141 -1.7141 -1.5770 -1.5770 -1.5633 -1.5633 -1.3481 -1.3481 0.1598 0.1598 0.2360 0.2360 2.2544 2.2544 2.7381 2.7381 2.8217 2.8217 2.9300 2.9300 3.4479 3.4479 3.5483 3.5483 3.7861 3.7861 4.0178 4.0178 4.0786 4.0786 4.3461 4.3461 8.8360 8.8360 9.1023 9.1023 9.5941 9.5941 9.6377 9.6377 10.2861 10.2861 10.5245 10.5245 k = 0.0000 0.1668 0.2958 ( 6850 PWs) bands (ev): -20.9691 -20.9691 -20.9648 -20.9648 -17.7873 -17.7873 -17.6552 -17.6552 -13.4931 -13.4931 -13.4638 -13.4638 -9.0978 -9.0978 -8.7042 -8.7042 -7.5980 -7.5980 -7.4339 -7.4339 -5.7239 -5.7239 -5.6035 -5.6035 -5.5770 -5.5770 -5.3949 -5.3949 -2.0899 -2.0899 -2.0751 -2.0751 -1.7043 -1.7043 -1.5818 -1.5818 -1.5380 -1.5380 -1.3337 -1.3337 0.1246 0.1246 0.2066 0.2066 2.2630 2.2630 2.7476 2.7476 2.8313 2.8313 2.9428 2.9428 3.4262 3.4262 3.5170 3.5170 3.7923 3.7923 3.9983 3.9983 4.1042 4.1042 4.3514 4.3514 8.8796 8.8796 9.1051 9.1051 9.5984 9.5984 9.6338 9.6338 10.2817 10.2817 10.4887 10.4887 k = 0.0000 0.1806 0.2958 ( 6841 PWs) bands (ev): -20.9690 -20.9690 -20.9645 -20.9645 -17.7877 -17.7877 -17.6553 -17.6553 -13.4935 -13.4935 -13.4632 -13.4632 -9.0961 -9.0961 -8.7218 -8.7218 -7.5928 -7.5928 -7.4297 -7.4297 -5.7204 -5.7204 -5.6015 -5.6015 -5.5718 -5.5718 -5.3932 -5.3932 -2.0934 -2.0934 -2.0749 -2.0749 -1.6946 -1.6946 -1.5880 -1.5880 -1.5097 -1.5097 -1.3175 -1.3175 0.0872 0.0872 0.1752 0.1752 2.2734 2.2734 2.7579 2.7579 2.8415 2.8415 2.9551 2.9551 3.4014 3.4014 3.4854 3.4854 3.7990 3.7990 3.9796 3.9796 4.1303 4.1303 4.3564 4.3564 8.9253 8.9253 9.1081 9.1081 9.5619 9.5619 9.6707 9.6707 10.2759 10.2759 10.4546 10.4546 k = 0.0000 0.1945 0.2958 ( 6836 PWs) bands (ev): -20.9689 -20.9689 -20.9642 -20.9642 -17.7881 -17.7881 -17.6555 -17.6555 -13.4938 -13.4938 -13.4627 -13.4627 -9.0941 -9.0941 -8.7397 -8.7397 -7.5870 -7.5870 -7.4260 -7.4260 -5.7162 -5.7162 -5.6000 -5.6000 -5.5661 -5.5661 -5.3919 -5.3919 -2.0978 -2.0978 -2.0738 -2.0738 -1.6852 -1.6852 -1.5943 -1.5943 -1.4793 -1.4793 -1.2993 -1.2993 0.0478 0.0478 0.1420 0.1420 2.2858 2.2858 2.7688 2.7688 2.8522 2.8522 2.9667 2.9667 3.3732 3.3732 3.4542 3.4542 3.8064 3.8064 3.9617 3.9617 4.1566 4.1566 4.3610 4.3610 8.9724 8.9724 9.1110 9.1110 9.5260 9.5260 9.7061 9.7061 10.2681 10.2681 10.4263 10.4263 k = 0.0000 0.2084 0.2958 ( 6834 PWs) bands (ev): -20.9688 -20.9688 -20.9638 -20.9638 -17.7886 -17.7886 -17.6557 -17.6557 -13.4942 -13.4942 -13.4622 -13.4622 -9.0917 -9.0917 -8.7580 -8.7580 -7.5807 -7.5807 -7.4229 -7.4229 -5.7116 -5.7116 -5.5988 -5.5988 -5.5600 -5.5600 -5.3912 -5.3912 -2.1025 -2.1025 -2.0724 -2.0724 -1.6762 -1.6762 -1.6007 -1.6007 -1.4471 -1.4471 -1.2791 -1.2791 0.0066 0.0066 0.1073 0.1073 2.3001 2.3001 2.7802 2.7802 2.8634 2.8634 2.9775 2.9775 3.3411 3.3411 3.4243 3.4243 3.8141 3.8141 3.9448 3.9448 4.1826 4.1826 4.3654 4.3654 9.0204 9.0204 9.1137 9.1137 9.4918 9.4918 9.7380 9.7380 10.2581 10.2581 10.4067 10.4067 k = 0.0000 0.2223 0.2958 ( 6830 PWs) bands (ev): -20.9687 -20.9687 -20.9635 -20.9635 -17.7890 -17.7890 -17.6559 -17.6559 -13.4945 -13.4945 -13.4617 -13.4617 -9.0888 -9.0888 -8.7765 -8.7765 -7.5741 -7.5741 -7.4205 -7.4205 -5.7065 -5.7065 -5.5978 -5.5978 -5.5536 -5.5536 -5.3911 -5.3911 -2.1074 -2.1074 -2.0707 -2.0707 -1.6678 -1.6678 -1.6070 -1.6070 -1.4132 -1.4132 -1.2569 -1.2569 -0.0363 -0.0363 0.0713 0.0713 2.3165 2.3165 2.7921 2.7921 2.8748 2.8748 2.9872 2.9872 3.3056 3.3056 3.3959 3.3959 3.8223 3.8223 3.9289 3.9289 4.2082 4.2082 4.3696 4.3696 9.0679 9.0679 9.1169 9.1169 9.4598 9.4598 9.7643 9.7643 10.2478 10.2478 10.3965 10.3965 k = 0.0000 0.2362 0.2958 ( 6828 PWs) bands (ev): -20.9686 -20.9686 -20.9632 -20.9632 -17.7894 -17.7894 -17.6561 -17.6561 -13.4948 -13.4948 -13.4612 -13.4612 -9.0855 -9.0855 -8.7951 -8.7951 -7.5671 -7.5671 -7.4187 -7.4187 -5.7010 -5.7010 -5.5970 -5.5970 -5.5470 -5.5470 -5.3916 -5.3916 -2.1123 -2.1123 -2.0690 -2.0690 -1.6601 -1.6601 -1.6131 -1.6131 -1.3778 -1.3778 -1.2328 -1.2328 -0.0805 -0.0805 0.0342 0.0342 2.3349 2.3349 2.8043 2.8043 2.8865 2.8865 2.9958 2.9958 3.2674 3.2674 3.3686 3.3686 3.8306 3.8306 3.9140 3.9140 4.2330 4.2330 4.3737 4.3737 9.1043 9.1043 9.1302 9.1302 9.4306 9.4306 9.7828 9.7828 10.2406 10.2406 10.3946 10.3946 k = 0.0000 0.2501 0.2958 ( 6828 PWs) bands (ev): -20.9686 -20.9686 -20.9628 -20.9628 -17.7898 -17.7898 -17.6562 -17.6562 -13.4951 -13.4951 -13.4608 -13.4608 -9.0817 -9.0817 -8.8136 -8.8136 -7.5597 -7.5597 -7.4178 -7.4178 -5.6953 -5.6953 -5.5963 -5.5963 -5.5403 -5.5403 -5.3928 -5.3928 -2.1171 -2.1171 -2.0672 -2.0672 -1.6533 -1.6533 -1.6189 -1.6189 -1.3410 -1.3410 -1.2070 -1.2070 -0.1258 -0.1258 -0.0037 -0.0037 2.3553 2.3553 2.8165 2.8165 2.8982 2.8982 3.0032 3.0032 3.2278 3.2278 3.3421 3.3421 3.8392 3.8392 3.9001 3.9001 4.2567 4.2567 4.3776 4.3776 9.1102 9.1102 9.1722 9.1722 9.4047 9.4047 9.7918 9.7918 10.2397 10.2397 10.3987 10.3987 k = 0.0000 0.2640 0.2958 ( 6823 PWs) bands (ev): -20.9685 -20.9685 -20.9625 -20.9625 -17.7901 -17.7901 -17.6564 -17.6564 -13.4954 -13.4954 -13.4603 -13.4603 -9.0772 -9.0772 -8.8319 -8.8319 -7.5522 -7.5522 -7.4175 -7.4175 -5.6894 -5.6894 -5.5957 -5.5957 -5.5335 -5.5335 -5.3946 -5.3946 -2.1217 -2.1217 -2.0654 -2.0654 -1.6476 -1.6476 -1.6240 -1.6240 -1.3032 -1.3032 -1.1795 -1.1795 -0.1719 -0.1719 -0.0421 -0.0421 2.3778 2.3778 2.8282 2.8282 2.9099 2.9099 3.0092 3.0092 3.1880 3.1880 3.3161 3.3161 3.8477 3.8477 3.8873 3.8873 4.2790 4.2790 4.3816 4.3816 9.1088 9.1088 9.2191 9.2191 9.3824 9.3824 9.7911 9.7911 10.2465 10.2465 10.4069 10.4069 k = 0.0000 0.2779 0.2958 ( 6828 PWs) bands (ev): -20.9685 -20.9685 -20.9621 -20.9621 -17.7905 -17.7905 -17.6566 -17.6566 -13.4956 -13.4956 -13.4600 -13.4600 -9.0722 -9.0722 -8.8500 -8.8500 -7.5445 -7.5445 -7.4180 -7.4180 -5.6834 -5.6834 -5.5951 -5.5951 -5.5267 -5.5267 -5.3972 -5.3972 -2.1261 -2.1261 -2.0637 -2.0637 -1.6438 -1.6438 -1.6277 -1.6277 -1.2647 -1.2647 -1.1508 -1.1508 -0.2184 -0.2184 -0.0805 -0.0805 2.4023 2.4023 2.8387 2.8387 2.9214 2.9214 3.0138 3.0138 3.1493 3.1493 3.2903 3.2903 3.8561 3.8561 3.8756 3.8756 4.2996 4.2996 4.3857 4.3857 9.1051 9.1051 9.2653 9.2653 9.3638 9.3638 9.7816 9.7816 10.2604 10.2604 10.4170 10.4170 k = 0.0000 0.2918 0.2958 ( 6824 PWs) bands (ev): -20.9685 -20.9685 -20.9618 -20.9618 -17.7908 -17.7908 -17.6567 -17.6567 -13.4958 -13.4958 -13.4596 -13.4596 -9.0666 -9.0666 -8.8677 -8.8677 -7.5366 -7.5366 -7.4191 -7.4191 -5.6775 -5.6775 -5.5946 -5.5946 -5.5198 -5.5198 -5.4005 -5.4005 -2.1301 -2.1301 -2.0620 -2.0620 -1.6433 -1.6433 -1.6285 -1.6285 -1.2257 -1.2257 -1.1211 -1.1211 -0.2649 -0.2649 -0.1187 -0.1187 2.4286 2.4286 2.8466 2.8466 2.9327 2.9327 3.0168 3.0168 3.1136 3.1136 3.2647 3.2647 3.8629 3.8629 3.8663 3.8663 4.3181 4.3181 4.3900 4.3900 9.0997 9.0997 9.3097 9.3097 9.3489 9.3489 9.7656 9.7656 10.2795 10.2795 10.4264 10.4264 k = 0.0000 0.3057 0.2958 ( 6830 PWs) bands (ev): -20.9685 -20.9685 -20.9615 -20.9615 -17.7911 -17.7911 -17.6569 -17.6569 -13.4961 -13.4961 -13.4593 -13.4593 -9.0603 -9.0603 -8.8850 -8.8850 -7.5288 -7.5288 -7.4210 -7.4210 -5.6718 -5.6718 -5.5940 -5.5940 -5.5129 -5.5129 -5.4045 -5.4045 -2.1338 -2.1338 -2.0604 -2.0604 -1.6458 -1.6458 -1.6266 -1.6266 -1.1869 -1.1869 -1.0908 -1.0908 -0.3109 -0.3109 -0.1560 -0.1560 2.4568 2.4568 2.8499 2.8499 2.9438 2.9438 3.0180 3.0180 3.0835 3.0835 3.2393 3.2393 3.8546 3.8546 3.8727 3.8727 4.3342 4.3342 4.3946 4.3946 9.0933 9.0933 9.3357 9.3357 9.3535 9.3535 9.7453 9.7453 10.3018 10.3018 10.4326 10.4326 k = 0.0000 0.3196 0.2958 ( 6827 PWs) bands (ev): -20.9686 -20.9686 -20.9612 -20.9612 -17.7914 -17.7914 -17.6570 -17.6570 -13.4962 -13.4962 -13.4590 -13.4590 -9.0533 -9.0533 -8.9018 -8.9018 -7.5210 -7.5210 -7.4235 -7.4235 -5.6666 -5.6666 -5.5933 -5.5933 -5.5060 -5.5060 -5.4091 -5.4091 -2.1370 -2.1370 -2.0589 -2.0589 -1.6492 -1.6492 -1.6239 -1.6239 -1.1489 -1.1489 -1.0606 -1.0606 -0.3557 -0.3557 -0.1919 -0.1919 2.4868 2.4868 2.8455 2.8455 2.9548 2.9548 3.0175 3.0175 3.0618 3.0618 3.2143 3.2143 3.8457 3.8457 3.8802 3.8802 4.3476 4.3476 4.3997 4.3997 9.0866 9.0866 9.3268 9.3268 9.3928 9.3928 9.7227 9.7227 10.3254 10.3254 10.4347 10.4347 k = 0.0000 0.3335 0.2958 ( 6825 PWs) bands (ev): -20.9686 -20.9686 -20.9609 -20.9609 -17.7916 -17.7916 -17.6571 -17.6571 -13.4964 -13.4964 -13.4587 -13.4587 -9.0456 -9.0456 -8.9180 -8.9180 -7.5134 -7.5134 -7.4265 -7.4265 -5.6619 -5.6619 -5.5924 -5.5924 -5.4992 -5.4992 -5.4144 -5.4144 -2.1398 -2.1398 -2.0574 -2.0574 -1.6526 -1.6526 -1.6215 -1.6215 -1.1125 -1.1125 -1.0310 -1.0310 -0.3984 -0.3984 -0.2257 -0.2257 2.5182 2.5182 2.8316 2.8316 2.9657 2.9657 3.0168 3.0168 3.0494 3.0494 3.1896 3.1896 3.8376 3.8376 3.8873 3.8873 4.3583 4.3583 4.4051 4.4051 9.0802 9.0802 9.3192 9.3192 9.4296 9.4296 9.6995 9.6995 10.3486 10.3486 10.4340 10.4340 k = 0.0000 0.3474 0.2958 ( 6829 PWs) bands (ev): -20.9687 -20.9687 -20.9606 -20.9606 -17.7918 -17.7918 -17.6572 -17.6572 -13.4965 -13.4965 -13.4585 -13.4585 -9.0372 -9.0372 -8.9335 -8.9335 -7.5060 -7.5060 -7.4301 -7.4301 -5.6579 -5.6579 -5.5913 -5.5913 -5.4924 -5.4924 -5.4202 -5.4202 -2.1420 -2.1420 -2.0562 -2.0562 -1.6557 -1.6557 -1.6195 -1.6195 -1.0789 -1.0789 -1.0032 -1.0032 -0.4378 -0.4378 -0.2565 -0.2565 2.5509 2.5509 2.8086 2.8086 2.9761 2.9761 3.0180 3.0180 3.0441 3.0441 3.1658 3.1658 3.8303 3.8303 3.8939 3.8939 4.3663 4.3663 4.4106 4.4106 9.0747 9.0747 9.3128 9.3128 9.4623 9.4623 9.6777 9.6777 10.3689 10.3689 10.4341 10.4341 k = 0.0000 0.3613 0.2958 ( 6830 PWs) bands (ev): -20.9688 -20.9688 -20.9603 -20.9603 -17.7920 -17.7920 -17.6573 -17.6573 -13.4966 -13.4966 -13.4584 -13.4584 -9.0281 -9.0281 -8.9484 -8.9484 -7.4990 -7.4990 -7.4340 -7.4340 -5.6549 -5.6549 -5.5899 -5.5899 -5.4858 -5.4858 -5.4266 -5.4266 -2.1438 -2.1438 -2.0550 -2.0550 -1.6583 -1.6583 -1.6180 -1.6180 -1.0493 -1.0493 -0.9785 -0.9785 -0.4721 -0.4721 -0.2832 -0.2832 2.5844 2.5844 2.7796 2.7796 2.9848 2.9848 3.0213 3.0213 3.0438 3.0438 3.1431 3.1431 3.8238 3.8238 3.8998 3.8998 4.3721 4.3721 4.4155 4.4155 9.0706 9.0706 9.3072 9.3072 9.4892 9.4892 9.6595 9.6595 10.3817 10.3817 10.4410 10.4410 k = 0.0000 0.3613 0.2958 ( 6830 PWs) bands (ev): -20.9688 -20.9688 -20.9603 -20.9603 -17.7920 -17.7920 -17.6573 -17.6573 -13.4966 -13.4966 -13.4584 -13.4584 -9.0281 -9.0281 -8.9484 -8.9484 -7.4990 -7.4990 -7.4340 -7.4340 -5.6549 -5.6549 -5.5899 -5.5899 -5.4858 -5.4858 -5.4266 -5.4266 -2.1438 -2.1438 -2.0550 -2.0550 -1.6583 -1.6583 -1.6180 -1.6180 -1.0493 -1.0493 -0.9785 -0.9785 -0.4721 -0.4721 -0.2832 -0.2832 2.5844 2.5844 2.7796 2.7796 2.9848 2.9848 3.0213 3.0213 3.0438 3.0438 3.1431 3.1431 3.8238 3.8238 3.8998 3.8998 4.3721 4.3721 4.4155 4.4155 9.0706 9.0706 9.3072 9.3072 9.4892 9.4892 9.6595 9.6595 10.3817 10.3817 10.4410 10.4410 k = 0.0000 0.3676 0.2836 ( 6835 PWs) bands (ev): -20.9690 -20.9690 -20.9601 -20.9601 -17.7920 -17.7920 -17.6573 -17.6573 -13.4966 -13.4966 -13.4583 -13.4583 -9.0234 -9.0234 -8.9548 -8.9548 -7.4958 -7.4958 -7.4359 -7.4359 -5.6545 -5.6545 -5.5848 -5.5848 -5.4854 -5.4854 -5.4316 -5.4316 -2.1444 -2.1444 -2.0540 -2.0540 -1.6595 -1.6595 -1.6178 -1.6178 -1.0364 -1.0364 -0.9692 -0.9692 -0.4851 -0.4851 -0.2950 -0.2950 2.5968 2.5968 2.7708 2.7708 2.9900 2.9900 3.0254 3.0254 3.0477 3.0477 3.1360 3.1360 3.8131 3.8131 3.8992 3.8992 4.3734 4.3734 4.4166 4.4166 9.0723 9.0723 9.3048 9.3048 9.4896 9.4896 9.6477 9.6477 10.3775 10.3775 10.4624 10.4624 k = 0.0000 0.3739 0.2715 ( 6835 PWs) bands (ev): -20.9691 -20.9691 -20.9599 -20.9599 -17.7921 -17.7921 -17.6573 -17.6573 -13.4967 -13.4967 -13.4583 -13.4583 -9.0187 -9.0187 -8.9611 -8.9611 -7.4928 -7.4928 -7.4379 -7.4379 -5.6544 -5.6544 -5.5795 -5.5795 -5.4858 -5.4858 -5.4361 -5.4361 -2.1449 -2.1449 -2.0532 -2.0532 -1.6606 -1.6606 -1.6177 -1.6177 -1.0249 -1.0249 -0.9609 -0.9609 -0.4965 -0.4965 -0.3054 -0.3054 2.6083 2.6083 2.7620 2.7620 2.9949 2.9949 3.0282 3.0282 3.0525 3.0525 3.1292 3.1292 3.8035 3.8035 3.8987 3.8987 4.3742 4.3742 4.4177 4.4177 9.0738 9.0738 9.3028 9.3028 9.4892 9.4892 9.6377 9.6377 10.3736 10.3736 10.4827 10.4827 k = 0.0000 0.3802 0.2594 ( 6835 PWs) bands (ev): -20.9692 -20.9692 -20.9598 -20.9598 -17.7921 -17.7921 -17.6574 -17.6574 -13.4967 -13.4967 -13.4582 -13.4582 -9.0139 -9.0139 -8.9672 -8.9672 -7.4900 -7.4900 -7.4398 -7.4398 -5.6545 -5.6545 -5.5741 -5.5741 -5.4869 -5.4869 -5.4398 -5.4398 -2.1454 -2.1454 -2.0524 -2.0524 -1.6616 -1.6616 -1.6177 -1.6177 -1.0152 -1.0152 -0.9539 -0.9539 -0.5062 -0.5062 -0.3142 -0.3142 2.6187 2.6187 2.7537 2.7537 2.9995 2.9995 3.0299 3.0299 3.0579 3.0579 3.1230 3.1230 3.7954 3.7954 3.8984 3.8984 4.3748 4.3748 4.4186 4.4186 9.0753 9.0753 9.3011 9.3011 9.4883 9.4883 9.6296 9.6296 10.3705 10.3705 10.5010 10.5010 k = 0.0000 0.3865 0.2472 ( 6834 PWs) bands (ev): -20.9693 -20.9693 -20.9596 -20.9596 -17.7922 -17.7922 -17.6574 -17.6574 -13.4967 -13.4967 -13.4582 -13.4582 -9.0090 -9.0090 -8.9731 -8.9731 -7.4876 -7.4876 -7.4415 -7.4415 -5.6547 -5.6547 -5.5690 -5.5690 -5.4887 -5.4887 -5.4425 -5.4425 -2.1457 -2.1457 -2.0519 -2.0519 -1.6623 -1.6623 -1.6177 -1.6177 -1.0073 -1.0073 -0.9482 -0.9482 -0.5141 -0.5141 -0.3213 -0.3213 2.6277 2.6277 2.7463 2.7463 3.0035 3.0035 3.0307 3.0307 3.0633 3.0633 3.1173 3.1173 3.7888 3.7888 3.8981 3.8981 4.3751 4.3751 4.4193 4.4193 9.0765 9.0765 9.2998 9.2998 9.4871 9.4871 9.6234 9.6234 10.3680 10.3680 10.5165 10.5165 k = 0.0000 0.3929 0.2351 ( 6829 PWs) bands (ev): -20.9693 -20.9693 -20.9596 -20.9596 -17.7922 -17.7922 -17.6574 -17.6574 -13.4967 -13.4967 -13.4582 -13.4582 -9.0042 -9.0042 -8.9786 -8.9786 -7.4857 -7.4857 -7.4429 -7.4429 -5.6549 -5.6549 -5.5649 -5.5649 -5.4906 -5.4906 -5.4444 -5.4444 -2.1459 -2.1459 -2.0514 -2.0514 -1.6629 -1.6629 -1.6177 -1.6177 -1.0016 -1.0016 -0.9440 -0.9440 -0.5198 -0.5198 -0.3264 -0.3264 2.6348 2.6348 2.7403 2.7403 3.0067 3.0067 3.0310 3.0310 3.0680 3.0680 3.1125 3.1125 3.7840 3.7840 3.8979 3.8979 4.3753 4.3753 4.4198 4.4198 9.0774 9.0774 9.2989 9.2989 9.4861 9.4861 9.6190 9.6190 10.3662 10.3662 10.5284 10.5284 k = 0.0000 0.3992 0.2229 ( 6827 PWs) bands (ev): -20.9694 -20.9694 -20.9595 -20.9595 -17.7922 -17.7922 -17.6574 -17.6574 -13.4967 -13.4967 -13.4582 -13.4582 -9.0000 -9.0000 -8.9833 -8.9833 -7.4845 -7.4845 -7.4438 -7.4438 -5.6550 -5.6550 -5.5620 -5.5620 -5.4921 -5.4921 -5.4454 -5.4454 -2.1460 -2.1460 -2.0511 -2.0511 -1.6632 -1.6632 -1.6177 -1.6177 -0.9981 -0.9981 -0.9414 -0.9414 -0.5233 -0.5233 -0.3296 -0.3296 2.6394 2.6394 2.7362 2.7362 3.0088 3.0088 3.0310 3.0310 3.0715 3.0715 3.1091 3.1091 3.7811 3.7811 3.8978 3.8978 4.3754 4.3754 4.4202 4.4202 9.0779 9.0779 9.2983 9.2983 9.4855 9.4855 9.6164 9.6164 10.3651 10.3651 10.5360 10.5360 k = 0.0000 0.4055 0.2108 ( 6840 PWs) bands (ev): -20.9694 -20.9694 -20.9595 -20.9595 -17.7922 -17.7922 -17.6574 -17.6574 -13.4967 -13.4967 -13.4581 -13.4581 -8.9979 -8.9979 -8.9856 -8.9856 -7.4841 -7.4841 -7.4441 -7.4441 -5.6550 -5.6550 -5.5610 -5.5610 -5.4927 -5.4927 -5.4457 -5.4457 -2.1461 -2.1461 -2.0511 -2.0511 -1.6633 -1.6633 -1.6177 -1.6177 -0.9969 -0.9969 -0.9405 -0.9405 -0.5245 -0.5245 -0.3306 -0.3306 2.6410 2.6410 2.7348 2.7348 3.0095 3.0095 3.0309 3.0309 3.0728 3.0728 3.1078 3.1078 3.7801 3.7801 3.8977 3.8977 4.3754 4.3754 4.4203 4.4203 9.0781 9.0781 9.2981 9.2981 9.4852 9.4852 9.6155 9.6155 10.3648 10.3648 10.5385 10.5385 k = 0.0000 0.4055 0.2108 ( 6840 PWs) bands (ev): -20.9694 -20.9694 -20.9595 -20.9595 -17.7922 -17.7922 -17.6574 -17.6574 -13.4967 -13.4967 -13.4581 -13.4581 -8.9979 -8.9979 -8.9856 -8.9856 -7.4841 -7.4841 -7.4441 -7.4441 -5.6550 -5.6550 -5.5610 -5.5610 -5.4927 -5.4927 -5.4457 -5.4457 -2.1461 -2.1461 -2.0511 -2.0511 -1.6633 -1.6633 -1.6177 -1.6177 -0.9969 -0.9969 -0.9405 -0.9405 -0.5245 -0.5245 -0.3306 -0.3306 2.6410 2.6410 2.7348 2.7348 3.0095 3.0095 3.0309 3.0309 3.0728 3.0728 3.1078 3.1078 3.7801 3.7801 3.8977 3.8977 4.3754 4.3754 4.4203 4.4203 9.0781 9.0781 9.2981 9.2981 9.4852 9.4852 9.6155 9.6155 10.3648 10.3648 10.5385 10.5385 k = 0.0143 0.4055 0.2108 ( 6840 PWs) bands (ev): -20.9693 -20.9693 -20.9595 -20.9595 -17.7921 -17.7921 -17.6575 -17.6575 -13.4967 -13.4967 -13.4582 -13.4582 -8.9981 -8.9981 -8.9853 -8.9853 -7.4848 -7.4848 -7.4437 -7.4437 -5.6554 -5.6554 -5.5615 -5.5615 -5.4935 -5.4935 -5.4450 -5.4450 -2.1460 -2.1460 -2.0518 -2.0518 -1.6627 -1.6627 -1.6180 -1.6180 -0.9971 -0.9971 -0.9411 -0.9411 -0.5236 -0.5236 -0.3297 -0.3297 2.6399 2.6399 2.7339 2.7339 3.0000 3.0000 3.0376 3.0376 3.0694 3.0694 3.1150 3.1150 3.7805 3.7805 3.8981 3.8981 4.3753 4.3753 4.4200 4.4200 9.0781 9.0781 9.2946 9.2946 9.4872 9.4872 9.6207 9.6207 10.3648 10.3648 10.5380 10.5380 k = 0.0286 0.4055 0.2108 ( 6836 PWs) bands (ev): -20.9692 -20.9692 -20.9594 -20.9594 -17.7919 -17.7919 -17.6577 -17.6577 -13.4968 -13.4968 -13.4584 -13.4584 -8.9988 -8.9988 -8.9844 -8.9844 -7.4867 -7.4867 -7.4426 -7.4426 -5.6566 -5.6566 -5.5627 -5.5627 -5.4955 -5.4955 -5.4429 -5.4429 -2.1458 -2.1458 -2.0538 -2.0538 -1.6607 -1.6607 -1.6189 -1.6189 -0.9979 -0.9979 -0.9427 -0.9427 -0.5208 -0.5208 -0.3268 -0.3268 2.6367 2.6367 2.7314 2.7314 2.9841 2.9841 3.0377 3.0377 3.0731 3.0731 3.1298 3.1298 3.7819 3.7819 3.8993 3.8993 4.3751 4.3751 4.4192 4.4192 9.0782 9.0782 9.2847 9.2847 9.4932 9.4932 9.6355 9.6355 10.3648 10.3648 10.5364 10.5364 k = 0.0429 0.4055 0.2108 ( 6844 PWs) bands (ev): -20.9690 -20.9690 -20.9592 -20.9592 -17.7915 -17.7915 -17.6579 -17.6579 -13.4968 -13.4968 -13.4586 -13.4586 -8.9999 -8.9999 -8.9832 -8.9832 -7.4897 -7.4897 -7.4410 -7.4410 -5.6586 -5.6586 -5.5650 -5.5650 -5.4982 -5.4982 -5.4399 -5.4399 -2.1455 -2.1455 -2.0571 -2.0571 -1.6577 -1.6577 -1.6204 -1.6204 -0.9992 -0.9992 -0.9454 -0.9454 -0.5162 -0.5162 -0.3221 -0.3221 2.6314 2.6314 2.7272 2.7272 2.9678 2.9678 3.0264 3.0264 3.0882 3.0882 3.1470 3.1470 3.7842 3.7842 3.9012 3.9012 4.3748 4.3748 4.4178 4.4178 9.0784 9.0784 9.2702 9.2702 9.5030 9.5030 9.6581 9.6581 10.3648 10.3648 10.5339 10.5339 k = 0.0571 0.4055 0.2108 ( 6840 PWs) bands (ev): -20.9688 -20.9688 -20.9590 -20.9590 -17.7909 -17.7909 -17.6583 -17.6583 -13.4969 -13.4969 -13.4590 -13.4590 -9.0010 -9.0010 -8.9818 -8.9818 -7.4935 -7.4935 -7.4392 -7.4392 -5.6612 -5.6612 -5.5683 -5.5683 -5.5010 -5.5010 -5.4365 -5.4365 -2.1450 -2.1450 -2.0616 -2.0616 -1.6535 -1.6535 -1.6224 -1.6224 -1.0010 -1.0010 -0.9492 -0.9492 -0.5098 -0.5098 -0.3157 -0.3157 2.6241 2.6241 2.7213 2.7213 2.9519 2.9519 3.0126 3.0126 3.1064 3.1064 3.1649 3.1649 3.7875 3.7875 3.9037 3.9037 4.3741 4.3741 4.4161 4.4161 9.0789 9.0789 9.2528 9.2528 9.5165 9.5165 9.6867 9.6867 10.3649 10.3649 10.5307 10.5307 k = 0.0714 0.4055 0.2108 ( 6842 PWs) bands (ev): -20.9684 -20.9684 -20.9587 -20.9587 -17.7902 -17.7902 -17.6588 -17.6588 -13.4970 -13.4970 -13.4594 -13.4594 -9.0023 -9.0023 -8.9803 -8.9803 -7.4978 -7.4978 -7.4373 -7.4373 -5.6646 -5.6646 -5.5728 -5.5728 -5.5035 -5.5035 -5.4331 -5.4331 -2.1443 -2.1443 -2.0672 -2.0672 -1.6485 -1.6485 -1.6250 -1.6250 -1.0033 -1.0033 -0.9540 -0.9540 -0.5016 -0.5016 -0.3075 -0.3075 2.6150 2.6150 2.7137 2.7137 2.9368 2.9368 2.9988 2.9988 3.1255 3.1255 3.1831 3.1831 3.7916 3.7916 3.9069 3.9069 4.3731 4.3731 4.4140 4.4140 9.0799 9.0799 9.2339 9.2339 9.5333 9.5333 9.7195 9.7195 10.3649 10.3649 10.5268 10.5268 k = 0.0857 0.4055 0.2108 ( 6846 PWs) bands (ev): -20.9680 -20.9680 -20.9584 -20.9584 -17.7894 -17.7894 -17.6594 -17.6594 -13.4971 -13.4971 -13.4600 -13.4600 -9.0035 -9.0035 -8.9786 -8.9786 -7.5026 -7.5026 -7.4356 -7.4356 -5.6685 -5.6685 -5.5785 -5.5785 -5.5054 -5.5054 -5.4298 -5.4298 -2.1435 -2.1435 -2.0736 -2.0736 -1.6430 -1.6430 -1.6277 -1.6277 -1.0060 -1.0060 -0.9598 -0.9598 -0.4918 -0.4918 -0.2977 -0.2977 2.6041 2.6041 2.7044 2.7044 2.9227 2.9227 2.9857 2.9857 3.1449 3.1449 3.2013 3.2013 3.7965 3.7965 3.9106 3.9106 4.3714 4.3714 4.4119 4.4119 9.0815 9.0815 9.2148 9.2148 9.5530 9.5530 9.7552 9.7552 10.3649 10.3649 10.5227 10.5227 k = 0.1000 0.4055 0.2108 ( 6840 PWs) bands (ev): -20.9675 -20.9675 -20.9581 -20.9581 -17.7884 -17.7884 -17.6602 -17.6602 -13.4973 -13.4973 -13.4606 -13.4606 -9.0047 -9.0047 -8.9770 -8.9770 -7.5075 -7.5075 -7.4341 -7.4341 -5.6730 -5.6730 -5.5852 -5.5852 -5.5066 -5.5066 -5.4270 -5.4270 -2.1426 -2.1426 -2.0807 -2.0807 -1.6386 -1.6386 -1.6292 -1.6292 -1.0092 -1.0092 -0.9665 -0.9665 -0.4805 -0.4805 -0.2865 -0.2865 2.5918 2.5918 2.6937 2.6937 2.9095 2.9095 2.9737 2.9737 3.1641 3.1641 3.2193 3.2193 3.8023 3.8023 3.9146 3.9146 4.3689 4.3689 4.4098 4.4098 9.0839 9.0839 9.1961 9.1961 9.5753 9.5753 9.7925 9.7925 10.3650 10.3650 10.5187 10.5187 k = 0.1143 0.4055 0.2108 ( 6838 PWs) bands (ev): -20.9669 -20.9669 -20.9577 -20.9577 -17.7872 -17.7872 -17.6610 -17.6610 -13.4974 -13.4974 -13.4613 -13.4613 -9.0059 -9.0059 -8.9754 -8.9754 -7.5127 -7.5127 -7.4329 -7.4329 -5.6780 -5.6780 -5.5927 -5.5927 -5.5073 -5.5073 -5.4246 -5.4246 -2.1415 -2.1415 -2.0884 -2.0884 -1.6392 -1.6392 -1.6257 -1.6257 -1.0129 -1.0129 -0.9742 -0.9742 -0.4676 -0.4676 -0.2739 -0.2739 2.5781 2.5781 2.6815 2.6815 2.8974 2.8974 2.9630 2.9630 3.1832 3.1832 3.2370 3.2370 3.8088 3.8088 3.9189 3.9189 4.3654 4.3654 4.4080 4.4080 9.0873 9.0873 9.1783 9.1783 9.5995 9.5995 9.8305 9.8305 10.3653 10.3653 10.5154 10.5154 k = 0.1286 0.4055 0.2108 ( 6844 PWs) bands (ev): -20.9663 -20.9663 -20.9572 -20.9572 -17.7859 -17.7859 -17.6619 -17.6619 -13.4976 -13.4976 -13.4621 -13.4621 -9.0069 -9.0069 -8.9739 -8.9739 -7.5178 -7.5178 -7.4320 -7.4320 -5.6834 -5.6834 -5.6009 -5.6009 -5.5076 -5.5076 -5.4227 -5.4227 -2.1403 -2.1403 -2.0964 -2.0964 -1.6431 -1.6431 -1.6190 -1.6190 -1.0169 -1.0169 -0.9826 -0.9826 -0.4534 -0.4534 -0.2602 -0.2602 2.5632 2.5632 2.6681 2.6681 2.8864 2.8864 2.9536 2.9536 3.2019 3.2019 3.2542 3.2542 3.8161 3.8161 3.9233 3.9233 4.3607 4.3607 4.4066 4.4066 9.0918 9.0918 9.1620 9.1620 9.6252 9.6252 9.8681 9.8681 10.3659 10.3659 10.5135 10.5135 k = 0.1429 0.4055 0.2108 ( 6850 PWs) bands (ev): -20.9656 -20.9656 -20.9567 -20.9567 -17.7844 -17.7844 -17.6630 -17.6630 -13.4978 -13.4978 -13.4630 -13.4630 -9.0079 -9.0079 -8.9725 -8.9725 -7.5230 -7.5230 -7.4315 -7.4315 -5.6892 -5.6892 -5.6095 -5.6095 -5.5074 -5.5074 -5.4214 -5.4214 -2.1389 -2.1389 -2.1046 -2.1046 -1.6480 -1.6480 -1.6115 -1.6115 -1.0213 -1.0213 -0.9918 -0.9918 -0.4380 -0.4380 -0.2454 -0.2454 2.5474 2.5474 2.6537 2.6537 2.8765 2.8765 2.9457 2.9457 3.2202 3.2202 3.2710 3.2710 3.8241 3.8241 3.9278 3.9278 4.3549 4.3549 4.4055 4.4055 9.0973 9.0973 9.1473 9.1473 9.6518 9.6518 9.9044 9.9044 10.3671 10.3671 10.5136 10.5136 k = 0.1571 0.4055 0.2108 ( 6850 PWs) bands (ev): -20.9649 -20.9649 -20.9562 -20.9562 -17.7828 -17.7828 -17.6641 -17.6641 -13.4980 -13.4980 -13.4640 -13.4640 -9.0087 -9.0087 -8.9711 -8.9711 -7.5281 -7.5281 -7.4314 -7.4314 -5.6952 -5.6952 -5.6184 -5.6184 -5.5071 -5.5071 -5.4207 -5.4207 -2.1374 -2.1374 -2.1129 -2.1129 -1.6534 -1.6534 -1.6039 -1.6039 -1.0260 -1.0260 -1.0017 -1.0017 -0.4214 -0.4214 -0.2299 -0.2299 2.5308 2.5308 2.6383 2.6383 2.8677 2.8677 2.9391 2.9391 3.2379 3.2379 3.2871 3.2871 3.8326 3.8326 3.9321 3.9321 4.3479 4.3479 4.4047 4.4047 9.1038 9.1038 9.1346 9.1346 9.6786 9.6786 9.9381 9.9381 10.3693 10.3693 10.5168 10.5168 k = 0.1714 0.4055 0.2108 ( 6848 PWs) bands (ev): -20.9641 -20.9641 -20.9556 -20.9556 -17.7811 -17.7811 -17.6654 -17.6654 -13.4981 -13.4981 -13.4650 -13.4650 -9.0094 -9.0094 -8.9699 -8.9699 -7.5330 -7.5330 -7.4318 -7.4318 -5.7015 -5.7015 -5.6273 -5.6273 -5.5066 -5.5066 -5.4205 -5.4205 -2.1360 -2.1360 -2.1211 -2.1211 -1.6591 -1.6591 -1.5962 -1.5962 -1.0310 -1.0310 -1.0121 -1.0121 -0.4039 -0.4039 -0.2137 -0.2137 2.5137 2.5137 2.6223 2.6223 2.8601 2.8601 2.9339 2.9339 3.2551 3.2551 3.3027 3.3027 3.8416 3.8416 3.9363 3.9363 4.3400 4.3400 4.4041 4.4041 9.1102 9.1102 9.1251 9.1251 9.7048 9.7048 9.9680 9.9680 10.3731 10.3731 10.5241 10.5241 k = 0.1857 0.4055 0.2108 ( 6844 PWs) bands (ev): -20.9633 -20.9633 -20.9550 -20.9550 -17.7793 -17.7793 -17.6667 -17.6667 -13.4983 -13.4983 -13.4661 -13.4661 -9.0100 -9.0100 -8.9688 -8.9688 -7.5376 -7.5376 -7.4326 -7.4326 -5.7080 -5.7080 -5.6363 -5.6363 -5.5059 -5.5059 -5.4209 -5.4209 -2.1350 -2.1350 -2.1284 -2.1284 -1.6650 -1.6650 -1.5888 -1.5888 -1.0363 -1.0363 -1.0230 -1.0230 -0.3856 -0.3856 -0.1971 -0.1971 2.4963 2.4963 2.6058 2.6058 2.8538 2.8538 2.9300 2.9300 3.2716 3.2716 3.3176 3.3176 3.8511 3.8511 3.9402 3.9402 4.3312 4.3312 4.4036 4.4036 9.1099 9.1099 9.1257 9.1257 9.7294 9.7294 9.9930 9.9930 10.3791 10.3791 10.5365 10.5365 k = 0.2000 0.4055 0.2108 ( 6842 PWs) bands (ev): -20.9625 -20.9625 -20.9544 -20.9544 -17.7773 -17.7773 -17.6682 -17.6682 -13.4985 -13.4985 -13.4673 -13.4673 -9.0105 -9.0105 -8.9679 -8.9679 -7.5421 -7.5421 -7.4338 -7.4338 -5.7146 -5.7146 -5.6452 -5.6452 -5.5053 -5.5053 -5.4218 -5.4218 -2.1385 -2.1385 -2.1309 -2.1309 -1.6711 -1.6711 -1.5816 -1.5816 -1.0420 -1.0420 -1.0342 -1.0342 -0.3665 -0.3665 -0.1802 -0.1802 2.4786 2.4786 2.5889 2.5889 2.8488 2.8488 2.9273 2.9273 3.2874 3.2874 3.3317 3.3317 3.8609 3.8609 3.9437 3.9437 4.3217 4.3217 4.4030 4.4030 9.1042 9.1042 9.1351 9.1351 9.7517 9.7517 10.0120 10.0120 10.3879 10.3879 10.5548 10.5548 k = 0.2143 0.4055 0.2108 ( 6840 PWs) bands (ev): -20.9616 -20.9616 -20.9538 -20.9538 -17.7752 -17.7752 -17.6698 -17.6698 -13.4987 -13.4987 -13.4685 -13.4685 -9.0109 -9.0109 -8.9672 -8.9672 -7.5462 -7.5462 -7.4354 -7.4354 -5.7212 -5.7212 -5.6538 -5.6538 -5.5047 -5.5047 -5.4232 -5.4232 -2.1455 -2.1455 -2.1296 -2.1296 -1.6771 -1.6771 -1.5750 -1.5750 -1.0485 -1.0485 -1.0451 -1.0451 -0.3470 -0.3470 -0.1633 -0.1633 2.4611 2.4611 2.5717 2.5717 2.8452 2.8452 2.9258 2.9258 3.3024 3.3024 3.3451 3.3451 3.8709 3.8709 3.9469 3.9469 4.3118 4.3118 4.4022 4.4022 9.0993 9.0993 9.1468 9.1468 9.7706 9.7706 10.0247 10.0247 10.4006 10.4006 10.5792 10.5792 k = 0.2286 0.4055 0.2108 ( 6840 PWs) bands (ev): -20.9607 -20.9607 -20.9532 -20.9532 -17.7730 -17.7730 -17.6714 -17.6714 -13.4988 -13.4988 -13.4698 -13.4698 -9.0111 -9.0111 -8.9666 -8.9666 -7.5499 -7.5499 -7.4375 -7.4375 -5.7278 -5.7278 -5.6623 -5.6623 -5.5040 -5.5040 -5.4251 -5.4251 -2.1524 -2.1524 -2.1279 -2.1279 -1.6831 -1.6831 -1.5689 -1.5689 -1.0585 -1.0585 -1.0527 -1.0527 -0.3270 -0.3270 -0.1465 -0.1465 2.4437 2.4437 2.5544 2.5544 2.8430 2.8430 2.9253 2.9253 3.3166 3.3166 3.3577 3.3577 3.8809 3.8809 3.9497 3.9497 4.3014 4.3014 4.4011 4.4011 9.0962 9.0962 9.1601 9.1601 9.7852 9.7852 10.0309 10.0309 10.4176 10.4176 10.6097 10.6097 k = 0.2429 0.4055 0.2108 ( 6842 PWs) bands (ev): -20.9597 -20.9597 -20.9526 -20.9526 -17.7707 -17.7707 -17.6732 -17.6732 -13.4990 -13.4990 -13.4711 -13.4711 -9.0111 -9.0111 -8.9663 -8.9663 -7.5532 -7.5532 -7.4400 -7.4400 -5.7343 -5.7343 -5.6705 -5.6705 -5.5034 -5.5034 -5.4274 -5.4274 -2.1588 -2.1588 -2.1263 -2.1263 -1.6888 -1.6888 -1.5635 -1.5635 -1.0700 -1.0700 -1.0589 -1.0589 -0.3068 -0.3068 -0.1300 -0.1300 2.4267 2.4267 2.5371 2.5371 2.8423 2.8423 2.9259 2.9259 3.3300 3.3300 3.3694 3.3694 3.8909 3.8909 3.9522 3.9522 4.2908 4.2908 4.3997 4.3997 9.0951 9.0951 9.1747 9.1747 9.7949 9.7949 10.0312 10.0312 10.4397 10.4397 10.6457 10.6457 k = 0.2571 0.4055 0.2108 ( 6842 PWs) bands (ev): -20.9588 -20.9588 -20.9519 -20.9519 -17.7683 -17.7683 -17.6751 -17.6751 -13.4991 -13.4991 -13.4724 -13.4724 -9.0110 -9.0110 -8.9661 -8.9661 -7.5561 -7.5561 -7.4429 -7.4429 -5.7405 -5.7405 -5.6785 -5.6785 -5.5029 -5.5029 -5.4301 -5.4301 -2.1647 -2.1647 -2.1247 -2.1247 -1.6941 -1.6941 -1.5589 -1.5589 -1.0816 -1.0816 -1.0650 -1.0650 -0.2864 -0.2864 -0.1141 -0.1141 2.4102 2.4102 2.5198 2.5198 2.8431 2.8431 2.9275 2.9275 3.3425 3.3425 3.3802 3.3802 3.9004 3.9004 3.9543 3.9543 4.2803 4.2803 4.3978 4.3978 9.0960 9.0960 9.1905 9.1905 9.7994 9.7994 10.0262 10.0262 10.4672 10.4672 10.6862 10.6862 k = 0.2714 0.4055 0.2108 ( 6850 PWs) bands (ev): -20.9579 -20.9579 -20.9513 -20.9513 -17.7658 -17.7658 -17.6770 -17.6770 -13.4991 -13.4991 -13.4738 -13.4738 -9.0108 -9.0108 -8.9662 -8.9662 -7.5585 -7.5585 -7.4463 -7.4463 -5.7466 -5.7466 -5.6862 -5.6862 -5.5024 -5.5024 -5.4331 -5.4331 -2.1700 -2.1700 -2.1234 -2.1234 -1.6990 -1.6990 -1.5552 -1.5552 -1.0929 -1.0929 -1.0712 -1.0712 -0.2661 -0.2661 -0.0988 -0.0988 2.3944 2.3944 2.5026 2.5026 2.8453 2.8453 2.9299 2.9299 3.3541 3.3541 3.3901 3.3901 3.9094 3.9094 3.9563 3.9563 4.2699 4.2699 4.3955 4.3955 9.0988 9.0988 9.2074 9.2074 9.7985 9.7985 10.0169 10.0169 10.4999 10.4999 10.7303 10.7303 k = 0.2857 0.4055 0.2108 ( 6862 PWs) bands (ev): -20.9569 -20.9569 -20.9507 -20.9507 -17.7632 -17.7632 -17.6791 -17.6791 -13.4992 -13.4992 -13.4752 -13.4752 -9.0104 -9.0104 -8.9665 -8.9665 -7.5604 -7.5604 -7.4499 -7.4499 -5.7522 -5.7522 -5.6937 -5.6937 -5.5019 -5.5019 -5.4363 -5.4363 -2.1747 -2.1747 -2.1223 -2.1223 -1.7033 -1.7033 -1.5526 -1.5526 -1.1038 -1.1038 -1.0774 -1.0774 -0.2459 -0.2459 -0.0844 -0.0844 2.3794 2.3794 2.4857 2.4857 2.8489 2.8489 2.9331 2.9331 3.3648 3.3648 3.3990 3.3990 3.9175 3.9175 3.9583 3.9583 4.2601 4.2601 4.3926 4.3926 9.1036 9.1036 9.2253 9.2253 9.7927 9.7927 10.0039 10.0039 10.5376 10.5376 10.7768 10.7768 k = 0.3000 0.4055 0.2108 ( 6870 PWs) bands (ev): -20.9560 -20.9560 -20.9501 -20.9501 -17.7606 -17.7606 -17.6812 -17.6812 -13.4992 -13.4992 -13.4766 -13.4766 -9.0099 -9.0099 -8.9669 -8.9669 -7.5618 -7.5618 -7.4540 -7.4540 -5.7575 -5.7575 -5.7009 -5.7009 -5.5014 -5.5014 -5.4398 -5.4398 -2.1786 -2.1786 -2.1216 -2.1216 -1.7068 -1.7068 -1.5511 -1.5511 -1.1140 -1.1140 -1.0836 -1.0836 -0.2260 -0.2260 -0.0710 -0.0710 2.3653 2.3653 2.4691 2.4691 2.8539 2.8539 2.9369 2.9369 3.3746 3.3746 3.4069 3.4069 3.9243 3.9243 3.9605 3.9605 4.2509 4.2509 4.3892 4.3892 9.1103 9.1103 9.2440 9.2440 9.7824 9.7824 9.9880 9.9880 10.5799 10.5799 10.8250 10.8250 k = 0.3143 0.4055 0.2108 ( 6870 PWs) bands (ev): -20.9551 -20.9551 -20.9496 -20.9496 -17.7578 -17.7578 -17.6835 -17.6835 -13.4992 -13.4992 -13.4779 -13.4779 -9.0092 -9.0092 -8.9676 -8.9676 -7.5627 -7.5627 -7.4583 -7.4583 -5.7624 -5.7624 -5.7078 -5.7078 -5.5009 -5.5009 -5.4435 -5.4435 -2.1818 -2.1818 -2.1213 -2.1213 -1.7094 -1.7094 -1.5508 -1.5508 -1.1236 -1.1236 -1.0898 -1.0898 -0.2065 -0.2065 -0.0586 -0.0586 2.3523 2.3523 2.4528 2.4528 2.8601 2.8601 2.9414 2.9414 3.3834 3.3834 3.4138 3.4138 3.9296 3.9296 3.9630 3.9630 4.2429 4.2429 4.3851 4.3851 9.1189 9.1189 9.2635 9.2635 9.7683 9.7683 9.9698 9.9698 10.6261 10.6261 10.8738 10.8738 k = 0.3286 0.4055 0.2108 ( 6868 PWs) bands (ev): -20.9542 -20.9542 -20.9491 -20.9491 -17.7550 -17.7550 -17.6858 -17.6858 -13.4991 -13.4991 -13.4793 -13.4793 -9.0084 -9.0084 -8.9685 -8.9685 -7.5630 -7.5630 -7.4630 -7.4630 -5.7667 -5.7667 -5.7146 -5.7146 -5.5004 -5.5004 -5.4472 -5.4472 -2.1842 -2.1842 -2.1216 -2.1216 -1.7110 -1.7110 -1.5518 -1.5518 -1.1323 -1.1323 -1.0959 -1.0959 -0.1874 -0.1874 -0.0474 -0.0474 2.3404 2.3404 2.4370 2.4370 2.8674 2.8674 2.9463 2.9463 3.3913 3.3913 3.4197 3.4197 3.9333 3.9333 3.9657 3.9657 4.2361 4.2361 4.3805 4.3805 9.1292 9.1292 9.2836 9.2836 9.7512 9.7512 9.9497 9.9497 10.6756 10.6756 10.9227 10.9227 k = 0.3429 0.4055 0.2108 ( 6874 PWs) bands (ev): -20.9533 -20.9533 -20.9486 -20.9486 -17.7522 -17.7522 -17.6882 -17.6882 -13.4990 -13.4990 -13.4807 -13.4807 -9.0074 -9.0074 -8.9696 -8.9696 -7.5628 -7.5628 -7.4679 -7.4679 -5.7705 -5.7705 -5.7210 -5.7210 -5.4999 -5.4999 -5.4511 -5.4511 -2.1859 -2.1859 -2.1224 -2.1224 -1.7115 -1.7115 -1.5541 -1.5541 -1.1400 -1.1400 -1.1019 -1.1019 -0.1689 -0.1689 -0.0375 -0.0375 2.3298 2.3298 2.4216 2.4216 2.8757 2.8757 2.9514 2.9514 3.3982 3.3982 3.4247 3.4247 3.9356 3.9356 3.9684 3.9684 4.2309 4.2309 4.3751 4.3751 9.1413 9.1413 9.3040 9.3040 9.7316 9.7316 9.9281 9.9281 10.7276 10.7276 10.9707 10.9707 k = 0.3571 0.4055 0.2108 ( 6872 PWs) bands (ev): -20.9525 -20.9525 -20.9482 -20.9482 -17.7493 -17.7493 -17.6907 -17.6907 -13.4988 -13.4988 -13.4821 -13.4821 -9.0063 -9.0063 -8.9708 -8.9708 -7.5620 -7.5620 -7.4730 -7.4730 -5.7737 -5.7737 -5.7272 -5.7272 -5.4993 -5.4993 -5.4549 -5.4549 -2.1869 -2.1869 -2.1237 -2.1237 -1.7109 -1.7109 -1.5577 -1.5577 -1.1466 -1.1466 -1.1079 -1.1079 -0.1511 -0.1511 -0.0290 -0.0290 2.3204 2.3204 2.4068 2.4068 2.8848 2.8848 2.9567 2.9567 3.4043 3.4043 3.4286 3.4286 3.9369 3.9369 3.9705 3.9705 4.2275 4.2275 4.3692 4.3692 9.1550 9.1550 9.3245 9.3245 9.7105 9.7105 9.9052 9.9052 10.7816 10.7816 11.0173 11.0173 k = 0.3714 0.4055 0.2108 ( 6870 PWs) bands (ev): -20.9517 -20.9517 -20.9478 -20.9478 -17.7463 -17.7463 -17.6932 -17.6932 -13.4986 -13.4986 -13.4834 -13.4834 -9.0051 -9.0051 -8.9722 -8.9722 -7.5607 -7.5607 -7.4783 -7.4783 -5.7763 -5.7763 -5.7332 -5.7332 -5.4987 -5.4987 -5.4587 -5.4587 -2.1871 -2.1871 -2.1257 -2.1257 -1.7091 -1.7091 -1.5626 -1.5626 -1.1521 -1.1521 -1.1137 -1.1137 -0.1340 -0.1340 -0.0220 -0.0220 2.3124 2.3124 2.3926 2.3926 2.8946 2.8946 2.9619 2.9619 3.4095 3.4095 3.4316 3.4316 3.9377 3.9377 3.9718 3.9718 4.2261 4.2261 4.3627 4.3627 9.1704 9.1704 9.3447 9.3447 9.6886 9.6886 9.8814 9.8814 10.8369 10.8369 11.0616 11.0616 k = 0.3857 0.4055 0.2108 ( 6864 PWs) bands (ev): -20.9509 -20.9509 -20.9474 -20.9474 -17.7433 -17.7433 -17.6958 -17.6958 -13.4983 -13.4983 -13.4847 -13.4847 -9.0037 -9.0037 -8.9737 -8.9737 -7.5589 -7.5589 -7.4838 -7.4838 -5.7783 -5.7783 -5.7389 -5.7389 -5.4980 -5.4980 -5.4625 -5.4625 -2.1866 -2.1866 -2.1282 -2.1282 -1.7060 -1.7060 -1.5687 -1.5687 -1.1564 -1.1564 -1.1194 -1.1194 -0.1178 -0.1178 -0.0163 -0.0163 2.3057 2.3057 2.3790 2.3790 2.9047 2.9047 2.9668 2.9668 3.4139 3.4139 3.4337 3.4337 3.9381 3.9381 3.9720 3.9720 4.2267 4.2267 4.3555 4.3555 9.1871 9.1871 9.3640 9.3640 9.6669 9.6669 9.8569 9.8569 10.8926 10.8926 11.1031 11.1031 k = 0.4000 0.4055 0.2108 ( 6866 PWs) bands (ev): -20.9502 -20.9502 -20.9472 -20.9472 -17.7403 -17.7403 -17.6985 -17.6985 -13.4979 -13.4979 -13.4860 -13.4860 -9.0022 -9.0022 -8.9754 -8.9754 -7.5566 -7.5566 -7.4895 -7.4895 -5.7798 -5.7798 -5.7444 -5.7444 -5.4972 -5.4972 -5.4661 -5.4661 -2.1854 -2.1854 -2.1313 -2.1313 -1.7017 -1.7017 -1.5759 -1.5759 -1.1597 -1.1597 -1.1250 -1.1250 -0.1024 -0.1024 -0.0122 -0.0122 2.3005 2.3005 2.3663 2.3663 2.9151 2.9151 2.9712 2.9712 3.4176 3.4176 3.4351 3.4351 3.9385 3.9385 3.9710 3.9710 4.2293 4.2293 4.3478 4.3478 9.2053 9.2053 9.3815 9.3815 9.6466 9.6466 9.8319 9.8319 10.9481 10.9481 11.1407 11.1407 k = 0.4143 0.4055 0.2108 ( 6854 PWs) bands (ev): -20.9496 -20.9496 -20.9469 -20.9469 -17.7372 -17.7372 -17.7013 -17.7013 -13.4975 -13.4975 -13.4872 -13.4872 -9.0006 -9.0006 -8.9772 -8.9772 -7.5538 -7.5538 -7.4952 -7.4952 -5.7806 -5.7806 -5.7496 -5.7496 -5.4962 -5.4962 -5.4696 -5.4696 -2.1836 -2.1836 -2.1348 -2.1348 -1.6963 -1.6963 -1.5841 -1.5841 -1.1618 -1.1618 -1.1303 -1.1303 -0.0880 -0.0880 -0.0096 -0.0096 2.2967 2.2967 2.3543 2.3543 2.9254 2.9254 2.9750 2.9750 3.4207 3.4207 3.4357 3.4357 3.9391 3.9391 3.9692 3.9692 4.2336 4.2336 4.3395 4.3395 9.2247 9.2247 9.3960 9.3960 9.6292 9.6292 9.8065 9.8065 11.0022 11.0022 11.1737 11.1737 k = 0.4286 0.4055 0.2108 ( 6854 PWs) bands (ev): -20.9490 -20.9490 -20.9468 -20.9468 -17.7342 -17.7342 -17.7041 -17.7041 -13.4970 -13.4970 -13.4884 -13.4884 -8.9989 -8.9989 -8.9791 -8.9791 -7.5505 -7.5505 -7.5009 -7.5009 -5.7808 -5.7808 -5.7544 -5.7544 -5.4951 -5.4951 -5.4730 -5.4730 -2.1811 -2.1811 -2.1388 -2.1388 -1.6898 -1.6898 -1.5932 -1.5932 -1.1629 -1.1629 -1.1354 -1.1354 -0.0746 -0.0746 -0.0085 -0.0085 2.2944 2.2944 2.3432 2.3432 2.9355 2.9355 2.9778 2.9778 3.4232 3.4232 3.4358 3.4358 3.9398 3.9398 3.9665 3.9665 4.2395 4.2395 4.3308 4.3308 9.2451 9.2451 9.4055 9.4055 9.6168 9.6168 9.7809 9.7809 11.0538 11.0538 11.2011 11.2011 k = 0.4429 0.4055 0.2108 ( 6854 PWs) bands (ev): -20.9485 -20.9485 -20.9467 -20.9467 -17.7311 -17.7311 -17.7070 -17.7070 -13.4964 -13.4964 -13.4896 -13.4896 -8.9971 -8.9971 -8.9811 -8.9811 -7.5468 -7.5468 -7.5066 -7.5066 -5.7804 -5.7804 -5.7590 -5.7590 -5.4938 -5.4938 -5.4761 -5.4761 -2.1781 -2.1781 -2.1432 -2.1432 -1.6822 -1.6822 -1.6029 -1.6029 -1.1631 -1.1631 -1.1402 -1.1402 -0.0623 -0.0623 -0.0089 -0.0089 2.2934 2.2934 2.3331 2.3331 2.9449 2.9449 2.9796 2.9796 3.4253 3.4253 3.4354 3.4354 3.9409 3.9409 3.9633 3.9633 4.2466 4.2466 4.3216 4.3216 9.2665 9.2665 9.4083 9.4083 9.6114 9.6114 9.7554 9.7554 11.1015 11.1015 11.2218 11.2218 k = 0.4571 0.4055 0.2108 ( 6850 PWs) bands (ev): -20.9480 -20.9480 -20.9467 -20.9467 -17.7280 -17.7280 -17.7099 -17.7099 -13.4958 -13.4958 -13.4906 -13.4906 -8.9953 -8.9953 -8.9831 -8.9831 -7.5427 -7.5427 -7.5123 -7.5123 -5.7794 -5.7794 -5.7632 -5.7632 -5.4923 -5.4923 -5.4791 -5.4791 -2.1746 -2.1746 -2.1477 -2.1477 -1.6738 -1.6738 -1.6131 -1.6131 -1.1624 -1.1624 -1.1448 -1.1448 -0.0512 -0.0512 -0.0108 -0.0108 2.2939 2.2939 2.3240 2.3240 2.9537 2.9537 2.9801 2.9801 3.4270 3.4270 3.4347 3.4347 3.9425 3.9425 3.9598 3.9598 4.2547 4.2547 4.3121 4.3121 9.2885 9.2885 9.4033 9.4033 9.6141 9.6141 9.7301 9.7301 11.1438 11.1438 11.2350 11.2350 k = 0.4714 0.4055 0.2108 ( 6850 PWs) bands (ev): -20.9476 -20.9476 -20.9467 -20.9467 -17.7249 -17.7249 -17.7128 -17.7128 -13.4951 -13.4951 -13.4917 -13.4917 -8.9933 -8.9933 -8.9851 -8.9851 -7.5383 -7.5383 -7.5179 -7.5179 -5.7779 -5.7779 -5.7670 -5.7670 -5.4907 -5.4907 -5.4819 -5.4819 -2.1706 -2.1706 -2.1524 -2.1524 -1.6646 -1.6646 -1.6236 -1.6236 -1.1609 -1.1609 -1.1489 -1.1489 -0.0412 -0.0412 -0.0142 -0.0142 2.2957 2.2957 2.3160 2.3160 2.9614 2.9614 2.9792 2.9792 3.4286 3.4286 3.4337 3.4337 3.9444 3.9444 3.9563 3.9563 4.2636 4.2636 4.3024 4.3024 9.3109 9.3109 9.3915 9.3915 9.6243 9.6243 9.7055 9.7055 11.1792 11.1792 11.2403 11.2403 k = 0.4857 0.4055 0.2108 ( 6854 PWs) bands (ev): -20.9473 -20.9473 -20.9468 -20.9468 -17.7219 -17.7219 -17.7158 -17.7158 -13.4944 -13.4944 -13.4926 -13.4926 -8.9913 -8.9913 -8.9872 -8.9872 -7.5336 -7.5336 -7.5233 -7.5233 -5.7759 -5.7759 -5.7704 -5.7704 -5.4888 -5.4888 -5.4844 -5.4844 -2.1664 -2.1664 -2.1572 -2.1572 -1.6549 -1.6549 -1.6342 -1.6342 -1.1588 -1.1588 -1.1527 -1.1527 -0.0325 -0.0325 -0.0189 -0.0189 2.2989 2.2989 2.3091 2.3091 2.9679 2.9679 2.9769 2.9769 3.4300 3.4300 3.4326 3.4326 3.9468 3.9468 3.9529 3.9529 4.2730 4.2730 4.2926 4.2926 9.3332 9.3332 9.3747 9.3747 9.6401 9.6401 9.6818 9.6818 11.2068 11.2068 11.2374 11.2374 k = 0.5000 0.4055 0.2108 ( 6856 PWs) bands (ev): -20.9470 -20.9470 -20.9470 -20.9470 -17.7188 -17.7188 -17.7188 -17.7188 -13.4935 -13.4935 -13.4935 -13.4935 -8.9893 -8.9893 -8.9893 -8.9893 -7.5285 -7.5285 -7.5285 -7.5285 -5.7734 -5.7734 -5.7734 -5.7734 -5.4867 -5.4867 -5.4867 -5.4867 -2.1619 -2.1619 -2.1619 -2.1619 -1.6447 -1.6447 -1.6447 -1.6447 -1.1560 -1.1560 -1.1560 -1.1560 -0.0250 -0.0250 -0.0250 -0.0250 2.3033 2.3033 2.3033 2.3033 2.9731 2.9731 2.9731 2.9731 3.4313 3.4313 3.4313 3.4313 3.9497 3.9497 3.9497 3.9497 4.2827 4.2827 4.2827 4.2827 9.3548 9.3548 9.3548 9.3548 9.6597 9.6597 9.6597 9.6597 11.2262 11.2262 11.2262 11.2262 k = 0.5000 0.4055 0.2108 ( 6856 PWs) bands (ev): -20.9470 -20.9470 -20.9470 -20.9470 -17.7188 -17.7188 -17.7188 -17.7188 -13.4935 -13.4935 -13.4935 -13.4935 -8.9893 -8.9893 -8.9893 -8.9893 -7.5285 -7.5285 -7.5285 -7.5285 -5.7734 -5.7734 -5.7734 -5.7734 -5.4867 -5.4867 -5.4867 -5.4867 -2.1619 -2.1619 -2.1619 -2.1619 -1.6447 -1.6447 -1.6447 -1.6447 -1.1560 -1.1560 -1.1560 -1.1560 -0.0250 -0.0250 -0.0250 -0.0250 2.3033 2.3033 2.3033 2.3033 2.9731 2.9731 2.9731 2.9731 3.4313 3.4313 3.4313 3.4313 3.9497 3.9497 3.9497 3.9497 4.2827 4.2827 4.2827 4.2827 9.3548 9.3548 9.3548 9.3548 9.6597 9.6597 9.6597 9.6597 11.2262 11.2262 11.2262 11.2262 k = 0.5000 0.4118 0.1987 ( 6856 PWs) bands (ev): -20.9470 -20.9470 -20.9470 -20.9470 -17.7188 -17.7188 -17.7188 -17.7188 -13.4935 -13.4935 -13.4935 -13.4935 -8.9902 -8.9902 -8.9882 -8.9882 -7.5315 -7.5315 -7.5256 -7.5256 -5.7755 -5.7755 -5.7711 -5.7711 -5.4872 -5.4872 -5.4867 -5.4867 -2.1621 -2.1621 -2.1617 -2.1617 -1.6448 -1.6448 -1.6442 -1.6442 -1.1563 -1.1563 -1.1559 -1.1559 -0.0250 -0.0250 -0.0248 -0.0248 2.3023 2.3023 2.3046 2.3046 2.9720 2.9720 2.9739 2.9739 3.4298 3.4298 3.4334 3.4334 3.9487 3.9487 3.9494 3.9494 4.2828 4.2828 4.2835 4.2835 9.3538 9.3538 9.3556 9.3556 9.6595 9.6595 9.6603 9.6603 11.2252 11.2252 11.2279 11.2279 k = 0.5000 0.4181 0.1865 ( 6856 PWs) bands (ev): -20.9470 -20.9470 -20.9470 -20.9470 -17.7188 -17.7188 -17.7188 -17.7188 -13.4935 -13.4935 -13.4935 -13.4935 -8.9911 -8.9911 -8.9870 -8.9870 -7.5344 -7.5344 -7.5228 -7.5228 -5.7774 -5.7774 -5.7687 -5.7687 -5.4882 -5.4882 -5.4871 -5.4871 -2.1624 -2.1624 -2.1617 -2.1617 -1.6447 -1.6447 -1.6434 -1.6434 -1.1569 -1.1569 -1.1560 -1.1560 -0.0246 -0.0246 -0.0243 -0.0243 2.3014 2.3014 2.3060 2.3060 2.9707 2.9707 2.9743 2.9743 3.4289 3.4289 3.4361 3.4361 3.9464 3.9464 3.9478 3.9478 4.2838 4.2838 4.2853 4.2853 9.3528 9.3528 9.3563 9.3563 9.6598 9.6598 9.6612 9.6612 11.2248 11.2248 11.2303 11.2303 k = 0.5000 0.4244 0.1744 ( 6860 PWs) bands (ev): -20.9470 -20.9470 -20.9470 -20.9470 -17.7189 -17.7189 -17.7189 -17.7189 -13.4934 -13.4934 -13.4934 -13.4934 -8.9918 -8.9918 -8.9857 -8.9857 -7.5374 -7.5374 -7.5200 -7.5200 -5.7791 -5.7791 -5.7663 -5.7663 -5.4897 -5.4897 -5.4878 -5.4878 -2.1629 -2.1629 -2.1617 -2.1617 -1.6443 -1.6443 -1.6424 -1.6424 -1.1576 -1.1576 -1.1563 -1.1563 -0.0240 -0.0240 -0.0235 -0.0235 2.3007 2.3007 2.3075 2.3075 2.9690 2.9690 2.9745 2.9745 3.4285 3.4285 3.4392 3.4392 3.9430 3.9430 3.9451 3.9451 4.2857 4.2857 4.2878 4.2878 9.3516 9.3516 9.3569 9.3569 9.6605 9.6605 9.6627 9.6627 11.2248 11.2248 11.2333 11.2333 k = 0.5000 0.4307 0.1623 ( 6856 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4933 -13.4933 -13.4933 -13.4933 -8.9925 -8.9925 -8.9844 -8.9844 -7.5403 -7.5403 -7.5172 -7.5172 -5.7804 -5.7804 -5.7638 -5.7638 -5.4918 -5.4918 -5.4889 -5.4889 -2.1634 -2.1634 -2.1618 -2.1618 -1.6436 -1.6436 -1.6412 -1.6412 -1.1585 -1.1585 -1.1568 -1.1568 -0.0230 -0.0230 -0.0224 -0.0224 2.3001 2.3001 2.3093 2.3093 2.9670 2.9670 2.9743 2.9743 3.4286 3.4286 3.4429 3.4429 3.9386 3.9386 3.9413 3.9413 4.2882 4.2882 4.2910 4.2910 9.3504 9.3504 9.3574 9.3574 9.6617 9.6617 9.6645 9.6645 11.2250 11.2250 11.2369 11.2369 k = 0.5000 0.4370 0.1501 ( 6864 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4932 -13.4932 -13.4932 -13.4932 -8.9930 -8.9930 -8.9829 -8.9829 -7.5433 -7.5433 -7.5145 -7.5145 -5.7815 -5.7815 -5.7614 -5.7614 -5.4944 -5.4944 -5.4902 -5.4902 -2.1641 -2.1641 -2.1619 -2.1619 -1.6426 -1.6426 -1.6397 -1.6397 -1.1597 -1.1597 -1.1575 -1.1575 -0.0218 -0.0218 -0.0210 -0.0210 2.2998 2.2998 2.3112 2.3112 2.9646 2.9646 2.9738 2.9738 3.4292 3.4292 3.4470 3.4470 3.9333 3.9333 3.9367 3.9367 4.2914 4.2914 4.2947 4.2947 9.3491 9.3491 9.3578 9.3578 9.6633 9.6633 9.6667 9.6667 11.2252 11.2252 11.2410 11.2410 k = 0.5000 0.4433 0.1380 ( 6862 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4930 -13.4930 -13.4930 -13.4930 -8.9934 -8.9934 -8.9813 -8.9813 -7.5463 -7.5463 -7.5119 -7.5119 -5.7823 -5.7823 -5.7591 -5.7591 -5.4976 -5.4976 -5.4917 -5.4917 -2.1649 -2.1649 -2.1620 -2.1620 -1.6414 -1.6414 -1.6381 -1.6381 -1.1609 -1.1609 -1.1584 -1.1584 -0.0203 -0.0203 -0.0194 -0.0194 2.2997 2.2997 2.3133 2.3133 2.9619 2.9619 2.9729 2.9729 3.4303 3.4303 3.4514 3.4514 3.9274 3.9274 3.9315 3.9315 4.2950 4.2950 4.2988 4.2988 9.3478 9.3478 9.3582 9.3582 9.6653 9.6653 9.6693 9.6693 11.2251 11.2251 11.2453 11.2453 k = 0.5000 0.4496 0.1258 ( 6854 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4929 -13.4929 -13.4928 -13.4928 -8.9937 -8.9937 -8.9797 -8.9797 -7.5492 -7.5492 -7.5094 -7.5094 -5.7828 -5.7828 -5.7570 -5.7570 -5.5013 -5.5013 -5.4933 -5.4933 -2.1657 -2.1657 -2.1621 -2.1621 -1.6399 -1.6399 -1.6363 -1.6363 -1.1623 -1.1623 -1.1594 -1.1594 -0.0186 -0.0186 -0.0175 -0.0175 2.2998 2.2998 2.3155 2.3155 2.9589 2.9589 2.9717 2.9717 3.4318 3.4318 3.4562 3.4562 3.9212 3.9212 3.9260 3.9260 4.2988 4.2988 4.3030 4.3030 9.3466 9.3466 9.3585 9.3585 9.6678 9.6678 9.6723 9.6723 11.2240 11.2240 11.2495 11.2495 k = 0.5000 0.4496 0.1258 ( 6854 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4929 -13.4929 -13.4928 -13.4928 -8.9937 -8.9937 -8.9797 -8.9797 -7.5492 -7.5492 -7.5094 -7.5094 -5.7828 -5.7828 -5.7570 -5.7570 -5.5013 -5.5013 -5.4933 -5.4933 -2.1657 -2.1657 -2.1621 -2.1621 -1.6399 -1.6399 -1.6363 -1.6363 -1.1623 -1.1623 -1.1594 -1.1594 -0.0186 -0.0186 -0.0175 -0.0175 2.2998 2.2998 2.3155 2.3155 2.9589 2.9589 2.9717 2.9717 3.4318 3.4318 3.4562 3.4562 3.9212 3.9212 3.9260 3.9260 4.2988 4.2988 4.3030 4.3030 9.3466 9.3466 9.3585 9.3585 9.6678 9.6678 9.6723 9.6723 11.2240 11.2240 11.2495 11.2495 k = 0.5000 0.4467 0.1118 ( 6860 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4930 -13.4930 -13.4929 -13.4929 -8.9938 -8.9938 -8.9807 -8.9807 -7.5475 -7.5475 -7.5100 -7.5100 -5.7825 -5.7825 -5.7542 -5.7542 -5.5006 -5.5006 -5.4974 -5.4974 -2.1641 -2.1641 -2.1615 -2.1615 -1.6392 -1.6392 -1.6353 -1.6353 -1.1625 -1.1625 -1.1597 -1.1597 -0.0188 -0.0188 -0.0176 -0.0176 2.2944 2.2944 2.3092 2.3092 2.9627 2.9627 2.9741 2.9741 3.4325 3.4325 3.4548 3.4548 3.9206 3.9206 3.9250 3.9250 4.3020 4.3020 4.3065 4.3065 9.3452 9.3452 9.3572 9.3572 9.6656 9.6656 9.6709 9.6709 11.2194 11.2194 11.2491 11.2491 k = 0.5000 0.4438 0.0977 ( 6854 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4930 -13.4930 -13.4930 -13.4930 -8.9939 -8.9939 -8.9817 -8.9817 -7.5457 -7.5457 -7.5107 -7.5107 -5.7818 -5.7818 -5.7516 -5.7516 -5.5014 -5.5014 -5.5003 -5.5003 -2.1625 -2.1625 -2.1608 -2.1608 -1.6383 -1.6383 -1.6341 -1.6341 -1.1628 -1.1628 -1.1601 -1.1601 -0.0188 -0.0188 -0.0174 -0.0174 2.2884 2.2884 2.3021 2.3021 2.9664 2.9664 2.9765 2.9765 3.4334 3.4334 3.4537 3.4537 3.9206 3.9206 3.9246 3.9246 4.3050 4.3050 4.3097 4.3097 9.3446 9.3446 9.3567 9.3567 9.6630 9.6630 9.6689 9.6689 11.2124 11.2124 11.2444 11.2444 k = 0.5000 0.4408 0.0837 ( 6850 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4931 -13.4931 -13.4931 -13.4931 -8.9940 -8.9940 -8.9827 -8.9827 -7.5439 -7.5439 -7.5114 -7.5114 -5.7808 -5.7808 -5.7492 -5.7492 -5.5052 -5.5052 -5.5004 -5.5004 -2.1608 -2.1608 -2.1599 -2.1599 -1.6373 -1.6373 -1.6330 -1.6330 -1.1630 -1.1630 -1.1605 -1.1605 -0.0186 -0.0186 -0.0172 -0.0172 2.2818 2.2818 2.2945 2.2945 2.9699 2.9699 2.9787 2.9787 3.4345 3.4345 3.4529 3.4529 3.9210 3.9210 3.9246 3.9246 4.3080 4.3080 4.3128 4.3128 9.3448 9.3448 9.3568 9.3568 9.6598 9.6598 9.6663 9.6663 11.2033 11.2033 11.2352 11.2352 k = 0.5000 0.4379 0.0696 ( 6844 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7188 -17.7188 -17.7188 -17.7188 -13.4932 -13.4932 -13.4932 -13.4932 -8.9940 -8.9940 -8.9837 -8.9837 -7.5421 -7.5421 -7.5122 -7.5122 -5.7794 -5.7794 -5.7471 -5.7471 -5.5088 -5.5088 -5.5009 -5.5009 -2.1590 -2.1590 -2.1588 -2.1588 -1.6362 -1.6362 -1.6319 -1.6319 -1.1633 -1.1633 -1.1609 -1.1609 -0.0182 -0.0182 -0.0168 -0.0168 2.2749 2.2749 2.2866 2.2866 2.9732 2.9732 2.9809 2.9809 3.4357 3.4357 3.4522 3.4522 3.9218 3.9218 3.9250 3.9250 4.3109 4.3109 4.3157 4.3157 9.3457 9.3457 9.3576 9.3576 9.6562 9.6562 9.6632 9.6632 11.1926 11.1926 11.2227 11.2227 k = 0.5000 0.4349 0.0556 ( 6846 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7188 -17.7188 -17.7188 -17.7188 -13.4933 -13.4933 -13.4932 -13.4932 -8.9940 -8.9940 -8.9847 -8.9847 -7.5403 -7.5403 -7.5129 -7.5129 -5.7778 -5.7778 -5.7454 -5.7454 -5.5122 -5.5122 -5.5019 -5.5019 -2.1577 -2.1577 -2.1573 -2.1573 -1.6351 -1.6351 -1.6308 -1.6308 -1.1637 -1.1637 -1.1614 -1.1614 -0.0178 -0.0178 -0.0163 -0.0163 2.2678 2.2678 2.2784 2.2784 2.9763 2.9763 2.9829 2.9829 3.4370 3.4370 3.4516 3.4516 3.9229 3.9229 3.9257 3.9257 4.3135 4.3135 4.3183 4.3183 9.3474 9.3474 9.3590 9.3590 9.6522 9.6522 9.6595 9.6595 11.1807 11.1807 11.2078 11.2078 k = 0.5000 0.4320 0.0415 ( 6846 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7188 -17.7188 -17.7188 -17.7188 -13.4933 -13.4933 -13.4933 -13.4933 -8.9940 -8.9940 -8.9856 -8.9856 -7.5385 -7.5385 -7.5138 -7.5138 -5.7759 -5.7759 -5.7440 -5.7440 -5.5151 -5.5151 -5.5031 -5.5031 -2.1565 -2.1565 -2.1557 -2.1557 -1.6340 -1.6340 -1.6298 -1.6298 -1.1640 -1.1640 -1.1619 -1.1619 -0.0172 -0.0172 -0.0157 -0.0157 2.2607 2.2607 2.2703 2.2703 2.9793 2.9793 2.9849 2.9849 3.4383 3.4383 3.4512 3.4512 3.9242 3.9242 3.9267 3.9267 4.3161 4.3161 4.3207 4.3207 9.3497 9.3497 9.3610 9.3610 9.6480 9.6480 9.6555 9.6555 11.1682 11.1682 11.1920 11.1920 k = 0.5000 0.4290 0.0275 ( 6840 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7187 -17.7187 -17.7187 -17.7187 -13.4934 -13.4934 -13.4934 -13.4934 -8.9940 -8.9940 -8.9865 -8.9865 -7.5367 -7.5367 -7.5146 -7.5146 -5.7737 -5.7737 -5.7431 -5.7431 -5.5176 -5.5176 -5.5046 -5.5046 -2.1552 -2.1552 -2.1542 -2.1542 -1.6328 -1.6328 -1.6288 -1.6288 -1.1643 -1.1643 -1.1624 -1.1624 -0.0166 -0.0166 -0.0151 -0.0151 2.2538 2.2538 2.2623 2.2623 2.9820 2.9820 2.9867 2.9867 3.4397 3.4397 3.4509 3.4509 3.9257 3.9257 3.9279 3.9279 4.3184 4.3184 4.3229 4.3229 9.3526 9.3526 9.3633 9.3633 9.6436 9.6436 9.6510 9.6510 11.1557 11.1557 11.1760 11.1760 k = 0.5000 0.4261 0.0134 ( 6840 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7187 -17.7187 -17.7187 -17.7187 -13.4934 -13.4934 -13.4934 -13.4934 -8.9939 -8.9939 -8.9873 -8.9873 -7.5350 -7.5350 -7.5156 -7.5156 -5.7713 -5.7713 -5.7426 -5.7426 -5.5197 -5.5197 -5.5064 -5.5064 -2.1540 -2.1540 -2.1528 -2.1528 -1.6316 -1.6316 -1.6280 -1.6280 -1.1646 -1.1646 -1.1629 -1.1629 -0.0159 -0.0159 -0.0146 -0.0146 2.2473 2.2473 2.2547 2.2547 2.9844 2.9844 2.9883 2.9883 3.4410 3.4410 3.4506 3.4506 3.9272 3.9272 3.9291 3.9291 4.3206 4.3206 4.3247 4.3247 9.3560 9.3560 9.3660 9.3660 9.6391 9.6391 9.6464 9.6464 11.1436 11.1436 11.1607 11.1607 k = 0.5000 0.4231-0.0006 ( 6842 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7187 -17.7187 -17.7187 -17.7187 -13.4935 -13.4935 -13.4935 -13.4935 -8.9937 -8.9937 -8.9882 -8.9882 -7.5333 -7.5333 -7.5166 -7.5166 -5.7686 -5.7686 -5.7426 -5.7426 -5.5213 -5.5213 -5.5084 -5.5084 -2.1528 -2.1528 -2.1515 -2.1515 -1.6305 -1.6305 -1.6272 -1.6272 -1.1649 -1.1649 -1.1634 -1.1634 -0.0152 -0.0152 -0.0140 -0.0140 2.2413 2.2413 2.2477 2.2477 2.9866 2.9866 2.9898 2.9898 3.4423 3.4423 3.4504 3.4504 3.9287 3.9287 3.9303 3.9303 4.3225 4.3225 4.3262 4.3262 9.3596 9.3596 9.3687 9.3687 9.6348 9.6348 9.6416 9.6416 11.1323 11.1323 11.1464 11.1464 k = 0.5000 0.4202-0.0147 ( 6840 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7187 -17.7187 -17.7187 -17.7187 -13.4935 -13.4935 -13.4935 -13.4935 -8.9936 -8.9936 -8.9889 -8.9889 -7.5316 -7.5316 -7.5176 -7.5176 -5.7659 -5.7659 -5.7431 -5.7431 -5.5223 -5.5223 -5.5104 -5.5104 -2.1517 -2.1517 -2.1504 -2.1504 -1.6294 -1.6294 -1.6266 -1.6266 -1.1651 -1.1651 -1.1638 -1.1638 -0.0146 -0.0146 -0.0135 -0.0135 2.2360 2.2360 2.2413 2.2413 2.9885 2.9885 2.9910 2.9910 3.4435 3.4435 3.4501 3.4501 3.9302 3.9302 3.9315 3.9315 4.3243 4.3243 4.3275 4.3275 9.3633 9.3633 9.3714 9.3714 9.6309 9.6309 9.6370 9.6370 11.1223 11.1223 11.1336 11.1336 k = 0.5000 0.4173-0.0288 ( 6830 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7187 -17.7187 -17.7187 -17.7187 -13.4935 -13.4935 -13.4935 -13.4935 -8.9934 -8.9934 -8.9896 -8.9896 -7.5299 -7.5299 -7.5187 -7.5187 -5.7630 -5.7630 -5.7440 -5.7440 -5.5228 -5.5228 -5.5125 -5.5125 -2.1506 -2.1506 -2.1496 -2.1496 -1.6285 -1.6285 -1.6261 -1.6261 -1.1653 -1.1653 -1.1643 -1.1643 -0.0140 -0.0140 -0.0131 -0.0131 2.2316 2.2316 2.2358 2.2358 2.9901 2.9901 2.9921 2.9921 3.4447 3.4447 3.4498 3.4498 3.9315 3.9315 3.9325 3.9325 4.3258 4.3258 4.3285 4.3285 9.3670 9.3670 9.3737 9.3737 9.6274 9.6274 9.6327 9.6327 11.1139 11.1139 11.1226 11.1226 k = 0.5000 0.4143-0.0428 ( 6824 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7186 -17.7186 -17.7186 -17.7186 -13.4936 -13.4936 -13.4936 -13.4936 -8.9931 -8.9931 -8.9903 -8.9903 -7.5283 -7.5283 -7.5199 -7.5199 -5.7601 -5.7601 -5.7454 -5.7454 -5.5228 -5.5228 -5.5146 -5.5146 -2.1498 -2.1498 -2.1489 -2.1489 -1.6276 -1.6276 -1.6258 -1.6258 -1.1654 -1.1654 -1.1646 -1.1646 -0.0135 -0.0135 -0.0128 -0.0128 2.2281 2.2281 2.2313 2.2313 2.9915 2.9915 2.9928 2.9928 3.4457 3.4457 3.4495 3.4495 3.9326 3.9326 3.9333 3.9333 4.3271 4.3271 4.3292 4.3292 9.3703 9.3703 9.3756 9.3756 9.6247 9.6247 9.6288 9.6288 11.1073 11.1073 11.1136 11.1136 k = 0.5000 0.4114-0.0569 ( 6814 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7186 -17.7186 -17.7186 -17.7186 -13.4936 -13.4936 -13.4936 -13.4936 -8.9928 -8.9928 -8.9909 -8.9909 -7.5268 -7.5268 -7.5212 -7.5212 -5.7572 -5.7572 -5.7472 -5.7472 -5.5223 -5.5223 -5.5166 -5.5166 -2.1491 -2.1491 -2.1485 -2.1485 -1.6269 -1.6269 -1.6256 -1.6256 -1.1655 -1.1655 -1.1650 -1.1650 -0.0130 -0.0130 -0.0126 -0.0126 2.2257 2.2257 2.2278 2.2278 2.9925 2.9925 2.9934 2.9934 3.4466 3.4466 3.4491 3.4491 3.9334 3.9334 3.9339 3.9339 4.3281 4.3281 4.3295 4.3295 9.3732 9.3732 9.3768 9.3768 9.6228 9.6228 9.6257 9.6257 11.1027 11.1027 11.1068 11.1068 k = 0.5000 0.4084-0.0709 ( 6806 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7186 -17.7186 -17.7186 -17.7186 -13.4936 -13.4936 -13.4936 -13.4936 -8.9924 -8.9924 -8.9914 -8.9914 -7.5253 -7.5253 -7.5225 -7.5225 -5.7544 -5.7544 -5.7494 -5.7494 -5.5214 -5.5214 -5.5185 -5.5185 -2.1486 -2.1486 -2.1483 -2.1483 -1.6263 -1.6263 -1.6257 -1.6257 -1.1655 -1.1655 -1.1652 -1.1652 -0.0127 -0.0127 -0.0125 -0.0125 2.2245 2.2245 2.2255 2.2255 2.9932 2.9932 2.9936 2.9936 3.4474 3.4474 3.4486 3.4486 3.9340 3.9340 3.9342 3.9342 4.3289 4.3289 4.3296 4.3296 9.3754 9.3754 9.3772 9.3772 9.6219 9.6219 9.6234 9.6234 11.1003 11.1003 11.1023 11.1023 k = 0.5000 0.4055-0.0850 ( 6804 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7186 -17.7186 -17.7186 -17.7186 -13.4936 -13.4936 -13.4936 -13.4936 -8.9919 -8.9919 -8.9919 -8.9919 -7.5238 -7.5238 -7.5238 -7.5238 -5.7518 -5.7518 -5.7518 -5.7518 -5.5201 -5.5201 -5.5201 -5.5201 -2.1484 -2.1484 -2.1484 -2.1484 -1.6259 -1.6259 -1.6259 -1.6259 -1.1654 -1.1654 -1.1654 -1.1654 -0.0126 -0.0126 -0.0126 -0.0126 2.2244 2.2244 2.2244 2.2244 2.9935 2.9935 2.9935 2.9935 3.4480 3.4480 3.4480 3.4480 3.9343 3.9343 3.9343 3.9343 4.3294 4.3294 4.3294 4.3294 9.3767 9.3767 9.3767 9.3767 9.6221 9.6221 9.6221 9.6221 11.1001 11.1001 11.1001 11.1001 k = 0.5000 0.4055-0.0850 ( 6804 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7186 -17.7186 -17.7186 -17.7186 -13.4936 -13.4936 -13.4936 -13.4936 -8.9919 -8.9919 -8.9919 -8.9919 -7.5238 -7.5238 -7.5238 -7.5238 -5.7518 -5.7518 -5.7518 -5.7518 -5.5201 -5.5201 -5.5201 -5.5201 -2.1484 -2.1484 -2.1484 -2.1484 -1.6259 -1.6259 -1.6259 -1.6259 -1.1654 -1.1654 -1.1654 -1.1654 -0.0126 -0.0126 -0.0126 -0.0126 2.2244 2.2244 2.2244 2.2244 2.9935 2.9935 2.9935 2.9935 3.4480 3.4480 3.4480 3.4480 3.9343 3.9343 3.9343 3.9343 4.3294 4.3294 4.3294 4.3294 9.3767 9.3767 9.3767 9.3767 9.6221 9.6221 9.6221 9.6221 11.1001 11.1001 11.1001 11.1001 k = 0.4857 0.4055-0.0850 ( 6808 PWs) bands (ev): -20.9473 -20.9473 -20.9469 -20.9469 -17.7217 -17.7217 -17.7156 -17.7156 -13.4944 -13.4944 -13.4927 -13.4927 -8.9941 -8.9941 -8.9898 -8.9898 -7.5291 -7.5291 -7.5184 -7.5184 -5.7545 -5.7545 -5.7488 -5.7488 -5.5226 -5.5226 -5.5171 -5.5171 -2.1509 -2.1509 -2.1457 -2.1457 -1.6347 -1.6347 -1.6169 -1.6169 -1.1693 -1.1693 -1.1609 -1.1609 -0.0198 -0.0198 -0.0069 -0.0069 2.2227 2.2227 2.2280 2.2280 2.9910 2.9910 2.9948 2.9948 3.4457 3.4457 3.4496 3.4496 3.9269 3.9269 3.9421 3.9421 4.3211 4.3211 4.3378 4.3378 9.3677 9.3677 9.3801 9.3801 9.6203 9.6203 9.6314 9.6314 11.0778 11.0778 11.1182 11.1182 k = 0.4714 0.4055-0.0850 ( 6816 PWs) bands (ev): -20.9477 -20.9477 -20.9468 -20.9468 -17.7247 -17.7247 -17.7126 -17.7126 -13.4952 -13.4952 -13.4917 -13.4917 -8.9962 -8.9962 -8.9876 -8.9876 -7.5341 -7.5341 -7.5128 -7.5128 -5.7569 -5.7569 -5.7455 -5.7455 -5.5246 -5.5246 -5.5137 -5.5137 -2.1533 -2.1533 -2.1430 -2.1430 -1.6430 -1.6430 -1.6078 -1.6078 -1.1727 -1.1727 -1.1560 -1.1560 -0.0287 -0.0287 -0.0030 -0.0030 2.2230 2.2230 2.2335 2.2335 2.9871 2.9871 2.9948 2.9948 3.4428 3.4428 3.4505 3.4505 3.9202 3.9202 3.9504 3.9504 4.3129 4.3129 4.3461 4.3461 9.3544 9.3544 9.3773 9.3773 9.6264 9.6264 9.6468 9.6468 11.0513 11.0513 11.1318 11.1318 k = 0.4571 0.4055-0.0850 ( 6820 PWs) bands (ev): -20.9481 -20.9481 -20.9467 -20.9467 -17.7278 -17.7278 -17.7097 -17.7097 -13.4959 -13.4959 -13.4907 -13.4907 -8.9983 -8.9983 -8.9854 -8.9854 -7.5388 -7.5388 -7.5070 -7.5070 -5.7588 -5.7588 -5.7420 -5.7420 -5.5261 -5.5261 -5.5099 -5.5099 -2.1554 -2.1554 -2.1403 -2.1403 -1.6508 -1.6508 -1.5987 -1.5987 -1.1753 -1.1753 -1.1508 -1.1508 -0.0391 -0.0391 -0.0009 -0.0009 2.2253 2.2253 2.2409 2.2409 2.9821 2.9821 2.9935 2.9935 3.4391 3.4391 3.4506 3.4506 3.9142 3.9142 3.9589 3.9589 4.3049 4.3049 4.3542 4.3542 9.3385 9.3385 9.3689 9.3689 9.6398 9.6398 9.6666 9.6666 11.0208 11.0208 11.1412 11.1412 k = 0.4429 0.4055-0.0850 ( 6822 PWs) bands (ev): -20.9485 -20.9485 -20.9467 -20.9467 -17.7309 -17.7309 -17.7068 -17.7068 -13.4965 -13.4965 -13.4896 -13.4896 -9.0003 -9.0003 -8.9833 -8.9833 -7.5432 -7.5432 -7.5012 -7.5012 -5.7603 -5.7603 -5.7383 -5.7383 -5.5272 -5.5272 -5.5056 -5.5056 -2.1572 -2.1572 -2.1377 -2.1377 -1.6578 -1.6578 -1.5900 -1.5900 -1.1770 -1.1770 -1.1453 -1.1453 -0.0510 -0.0510 -0.0004 -0.0004 2.2295 2.2295 2.2500 2.2500 2.9759 2.9759 2.9909 2.9909 3.4349 3.4349 3.4500 3.4500 3.9090 3.9090 3.9673 3.9673 4.2973 4.2973 4.3621 4.3621 9.3211 9.3211 9.3562 9.3562 9.6591 9.6591 9.6895 9.6895 10.9867 10.9867 11.1462 11.1462 k = 0.4286 0.4055-0.0850 ( 6826 PWs) bands (ev): -20.9491 -20.9491 -20.9468 -20.9468 -17.7340 -17.7340 -17.7039 -17.7039 -13.4970 -13.4970 -13.4885 -13.4885 -9.0022 -9.0022 -8.9813 -8.9813 -7.5471 -7.5471 -7.4954 -7.4954 -5.7614 -5.7614 -5.7344 -5.7344 -5.5279 -5.5279 -5.5009 -5.5009 -2.1586 -2.1586 -2.1353 -2.1353 -1.6641 -1.6641 -1.5818 -1.5818 -1.1778 -1.1778 -1.1395 -1.1395 -0.0642 -0.0642 -0.0016 -0.0016 2.2357 2.2357 2.2607 2.2607 2.9687 2.9687 2.9871 2.9871 3.4300 3.4300 3.4487 3.4487 3.9047 3.9047 3.9755 3.9755 4.2903 4.2903 4.3698 4.3698 9.3033 9.3033 9.3407 9.3407 9.6828 9.6828 9.7147 9.7147 10.9493 10.9493 11.1470 11.1470 k = 0.4143 0.4055-0.0850 ( 6826 PWs) bands (ev): -20.9497 -20.9497 -20.9470 -20.9470 -17.7370 -17.7370 -17.7011 -17.7011 -13.4975 -13.4975 -13.4873 -13.4873 -9.0040 -9.0040 -8.9793 -8.9793 -7.5507 -7.5507 -7.4896 -7.4896 -5.7619 -5.7619 -5.7304 -5.7304 -5.5282 -5.5282 -5.4958 -5.4958 -2.1597 -2.1597 -2.1330 -2.1330 -1.6695 -1.6695 -1.5743 -1.5743 -1.1774 -1.1774 -1.1337 -1.1337 -0.0787 -0.0787 -0.0046 -0.0046 2.2437 2.2437 2.2730 2.2730 2.9606 2.9606 2.9822 2.9822 3.4245 3.4245 3.4466 3.4466 3.9011 3.9011 3.9833 3.9833 4.2840 4.2840 4.3772 4.3772 9.2855 9.2855 9.3236 9.3236 9.7095 9.7095 9.7415 9.7415 10.9090 10.9090 11.1434 11.1434 k = 0.4000 0.4055-0.0850 ( 6826 PWs) bands (ev): -20.9503 -20.9503 -20.9472 -20.9472 -17.7401 -17.7401 -17.6983 -17.6983 -13.4980 -13.4980 -13.4861 -13.4861 -9.0057 -9.0057 -8.9774 -8.9774 -7.5538 -7.5538 -7.4839 -7.4839 -5.7619 -5.7619 -5.7264 -5.7264 -5.5281 -5.5281 -5.4903 -5.4903 -2.1602 -2.1602 -2.1311 -2.1311 -1.6739 -1.6739 -1.5676 -1.5676 -1.1759 -1.1759 -1.1277 -1.1277 -0.0943 -0.0943 -0.0091 -0.0091 2.2535 2.2535 2.2867 2.2867 2.9517 2.9517 2.9763 2.9763 3.4185 3.4185 3.4438 3.4438 3.8984 3.8984 3.9903 3.9903 4.2786 4.2786 4.3841 4.3841 9.2683 9.2683 9.3055 9.3055 9.7383 9.7383 9.7692 9.7692 10.8664 10.8664 11.1356 11.1356 k = 0.3857 0.4055-0.0850 ( 6826 PWs) bands (ev): -20.9510 -20.9510 -20.9475 -20.9475 -17.7431 -17.7431 -17.6956 -17.6956 -13.4983 -13.4983 -13.4848 -13.4848 -9.0073 -9.0073 -8.9756 -8.9756 -7.5564 -7.5564 -7.4783 -7.4783 -5.7613 -5.7613 -5.7222 -5.7222 -5.5277 -5.5277 -5.4845 -5.4845 -2.1603 -2.1603 -2.1295 -2.1295 -1.6774 -1.6774 -1.5620 -1.5620 -1.1732 -1.1732 -1.1217 -1.1217 -0.1110 -0.1110 -0.0152 -0.0152 2.2651 2.2651 2.3017 2.3017 2.9420 2.9420 2.9695 2.9695 3.4119 3.4119 3.4403 3.4403 3.8965 3.8965 3.9964 3.9964 4.2743 4.2743 4.3908 4.3908 9.2519 9.2519 9.2872 9.2872 9.7683 9.7683 9.7976 9.7976 10.8220 10.8220 11.1231 11.1231 k = 0.3714 0.4055-0.0850 ( 6824 PWs) bands (ev): -20.9518 -20.9518 -20.9478 -20.9478 -17.7461 -17.7461 -17.6930 -17.6930 -13.4986 -13.4986 -13.4835 -13.4835 -9.0088 -9.0088 -8.9740 -8.9740 -7.5586 -7.5586 -7.4728 -7.4728 -5.7601 -5.7601 -5.7179 -5.7179 -5.5270 -5.5270 -5.4785 -5.4785 -2.1599 -2.1599 -2.1282 -2.1282 -1.6798 -1.6798 -1.5575 -1.5575 -1.1691 -1.1691 -1.1156 -1.1156 -0.1285 -0.1285 -0.0228 -0.0228 2.2782 2.2782 2.3179 2.3179 2.9318 2.9318 2.9621 2.9621 3.4048 3.4048 3.4361 3.4361 3.8954 3.8954 4.0012 4.0012 4.2713 4.2713 4.3969 4.3969 9.2365 9.2365 9.2689 9.2689 9.7990 9.7990 9.8262 9.8262 10.7764 10.7764 11.1056 11.1056 k = 0.3571 0.4055-0.0850 ( 6822 PWs) bands (ev): -20.9526 -20.9526 -20.9482 -20.9482 -17.7490 -17.7490 -17.6904 -17.6904 -13.4988 -13.4988 -13.4822 -13.4822 -9.0102 -9.0102 -8.9725 -8.9725 -7.5602 -7.5602 -7.4675 -7.4675 -5.7584 -5.7584 -5.7135 -5.7135 -5.5260 -5.5260 -5.4723 -5.4723 -2.1589 -2.1589 -2.1272 -2.1272 -1.6813 -1.6813 -1.5543 -1.5543 -1.1637 -1.1637 -1.1096 -1.1096 -0.1469 -0.1469 -0.0318 -0.0318 2.2928 2.2928 2.3352 2.3352 2.9212 2.9212 2.9541 2.9541 3.3971 3.3971 3.4312 3.4312 3.8951 3.8951 4.0046 4.0046 4.2696 4.2696 4.4027 4.4027 9.2222 9.2222 9.2511 9.2511 9.8296 9.8296 9.8547 9.8547 10.7302 10.7302 11.0826 11.0826 k = 0.3429 0.4055-0.0850 ( 6826 PWs) bands (ev): -20.9534 -20.9534 -20.9486 -20.9486 -17.7520 -17.7520 -17.6879 -17.6879 -13.4990 -13.4990 -13.4808 -13.4808 -9.0114 -9.0114 -8.9712 -8.9712 -7.5612 -7.5612 -7.4625 -7.4625 -5.7561 -5.7561 -5.7091 -5.7091 -5.5248 -5.5248 -5.4660 -5.4660 -2.1574 -2.1574 -2.1266 -2.1266 -1.6818 -1.6818 -1.5523 -1.5523 -1.1570 -1.1570 -1.1036 -1.1036 -0.1659 -0.1659 -0.0420 -0.0420 2.3087 2.3087 2.3534 2.3534 2.9103 2.9103 2.9458 2.9458 3.3887 3.3887 3.4255 3.4255 3.8954 3.8954 4.0065 4.0065 4.2695 4.2695 4.4080 4.4080 9.2091 9.2091 9.2338 9.2338 9.8596 9.8596 9.8829 9.8829 10.6843 10.6843 11.0535 11.0535 k = 0.3286 0.4055-0.0850 ( 6834 PWs) bands (ev): -20.9543 -20.9543 -20.9491 -20.9491 -17.7548 -17.7548 -17.6855 -17.6855 -13.4992 -13.4992 -13.4794 -13.4794 -9.0125 -9.0125 -8.9701 -8.9701 -7.5617 -7.5617 -7.4577 -7.4577 -5.7531 -5.7531 -5.7045 -5.7045 -5.5234 -5.5234 -5.4595 -5.4595 -2.1554 -2.1554 -2.1264 -2.1264 -1.6815 -1.6815 -1.5517 -1.5517 -1.1491 -1.1491 -1.0976 -1.0976 -0.1854 -0.1854 -0.0534 -0.0534 2.3258 2.3258 2.3723 2.3723 2.8992 2.8992 2.9372 2.9372 3.3798 3.3798 3.4192 3.4192 3.8964 3.8964 4.0068 4.0068 4.2708 4.2708 4.4128 4.4128 9.1971 9.1971 9.2173 9.2173 9.8881 9.8881 9.9105 9.9105 10.6394 10.6394 11.0183 11.0183 k = 0.3143 0.4055-0.0850 ( 6836 PWs) bands (ev): -20.9552 -20.9552 -20.9496 -20.9496 -17.7576 -17.7576 -17.6832 -17.6832 -13.4992 -13.4992 -13.4780 -13.4780 -9.0134 -9.0134 -8.9691 -8.9691 -7.5617 -7.5617 -7.4533 -7.4533 -5.7497 -5.7497 -5.6998 -5.6998 -5.5218 -5.5218 -5.4531 -5.4531 -2.1529 -2.1529 -2.1264 -2.1264 -1.6803 -1.6803 -1.5523 -1.5523 -1.1400 -1.1400 -1.0918 -1.0918 -0.2053 -0.2053 -0.0659 -0.0659 2.3438 2.3438 2.3920 2.3920 2.8882 2.8882 2.9287 2.9287 3.3702 3.3702 3.4121 3.4121 3.8980 3.8980 4.0055 4.0055 4.2735 4.2735 4.4172 4.4172 9.1860 9.1860 9.2022 9.2022 9.9143 9.9143 9.9372 9.9372 10.5966 10.5966 10.9778 10.9778 k = 0.3000 0.4055-0.0850 ( 6836 PWs) bands (ev): -20.9561 -20.9561 -20.9501 -20.9501 -17.7604 -17.7604 -17.6810 -17.6810 -13.4993 -13.4993 -13.4767 -13.4767 -9.0142 -9.0142 -8.9684 -8.9684 -7.5611 -7.5611 -7.4491 -7.4491 -5.7457 -5.7457 -5.6950 -5.6950 -5.5201 -5.5201 -5.4467 -5.4467 -2.1499 -2.1499 -2.1267 -2.1267 -1.6783 -1.6783 -1.5540 -1.5540 -1.1301 -1.1301 -1.0860 -1.0860 -0.2255 -0.2255 -0.0792 -0.0792 2.3628 2.3628 2.4121 2.4121 2.8774 2.8774 2.9202 2.9202 3.3599 3.3599 3.4042 3.4042 3.9002 3.9002 4.0030 4.0030 4.2775 4.2775 4.4211 4.4211 9.1749 9.1749 9.1893 9.1893 9.9370 9.9370 9.9627 9.9627 10.5570 10.5570 10.9332 10.9332 k = 0.2857 0.4055-0.0850 ( 6838 PWs) bands (ev): -20.9570 -20.9570 -20.9507 -20.9507 -17.7630 -17.7630 -17.6788 -17.6788 -13.4993 -13.4993 -13.4753 -13.4753 -9.0149 -9.0149 -8.9678 -8.9678 -7.5599 -7.5599 -7.4454 -7.4454 -5.7413 -5.7413 -5.6901 -5.6901 -5.5183 -5.5183 -5.4405 -5.4405 -2.1464 -2.1464 -2.1272 -2.1272 -1.6758 -1.6758 -1.5569 -1.5569 -1.1193 -1.1193 -1.0803 -1.0803 -0.2458 -0.2458 -0.0933 -0.0933 2.3823 2.3823 2.4327 2.4327 2.8670 2.8670 2.9120 2.9120 3.3488 3.3488 3.3956 3.3956 3.9029 3.9029 3.9992 3.9992 4.2826 4.2826 4.4247 4.4247 9.1630 9.1630 9.1795 9.1795 9.9550 9.9550 9.9867 9.9867 10.5220 10.5220 10.8858 10.8858 k = 0.2714 0.4055-0.0850 ( 6836 PWs) bands (ev): -20.9580 -20.9580 -20.9513 -20.9513 -17.7656 -17.7656 -17.6768 -17.6768 -13.4992 -13.4992 -13.4739 -13.4739 -9.0154 -9.0154 -8.9674 -8.9674 -7.5582 -7.5582 -7.4420 -7.4420 -5.7365 -5.7365 -5.6849 -5.6849 -5.5164 -5.5164 -5.4345 -5.4345 -2.1426 -2.1426 -2.1278 -2.1278 -1.6726 -1.6726 -1.5607 -1.5607 -1.1079 -1.1079 -1.0748 -1.0748 -0.2662 -0.2662 -0.1080 -0.1080 2.4024 2.4024 2.4535 2.4535 2.8572 2.8572 2.9043 2.9043 3.3371 3.3371 3.3861 3.3861 3.9061 3.9061 3.9945 3.9945 4.2885 4.2885 4.4277 4.4277 9.1504 9.1504 9.1728 9.1728 9.9669 9.9669 10.0088 10.0088 10.4928 10.4928 10.8369 10.8369 k = 0.2571 0.4055-0.0850 ( 6838 PWs) bands (ev): -20.9589 -20.9589 -20.9519 -20.9519 -17.7681 -17.7681 -17.6748 -17.6748 -13.4991 -13.4991 -13.4725 -13.4725 -9.0158 -9.0158 -8.9673 -8.9673 -7.5560 -7.5560 -7.4390 -7.4390 -5.7314 -5.7314 -5.6796 -5.6796 -5.5145 -5.5145 -5.4287 -5.4287 -2.1386 -2.1386 -2.1283 -2.1283 -1.6691 -1.6691 -1.5653 -1.5653 -1.0960 -1.0960 -1.0693 -1.0693 -0.2864 -0.2864 -0.1232 -0.1232 2.4228 2.4228 2.4745 2.4745 2.8480 2.8480 2.8971 2.8971 3.3245 3.3245 3.3759 3.3759 3.9097 3.9097 3.9892 3.9892 4.2951 4.2951 4.4304 4.4304 9.1378 9.1378 9.1685 9.1685 9.9713 9.9713 10.0287 10.0287 10.4707 10.4707 10.7876 10.7876 k = 0.2429 0.4055-0.0850 ( 6822 PWs) bands (ev): -20.9599 -20.9599 -20.9525 -20.9525 -17.7705 -17.7705 -17.6729 -17.6729 -13.4990 -13.4990 -13.4712 -13.4712 -9.0160 -9.0160 -8.9674 -8.9674 -7.5533 -7.5533 -7.4364 -7.4364 -5.7260 -5.7260 -5.6740 -5.6740 -5.5124 -5.5124 -5.4233 -5.4233 -2.1351 -2.1351 -2.1280 -2.1280 -1.6652 -1.6652 -1.5707 -1.5707 -1.0839 -1.0839 -1.0640 -1.0640 -0.3063 -0.3063 -0.1387 -0.1387 2.4433 2.4433 2.4955 2.4955 2.8397 2.8397 2.8906 2.8906 3.3111 3.3111 3.3647 3.3647 3.9137 3.9137 3.9833 3.9833 4.3022 4.3022 4.4328 4.4328 9.1258 9.1258 9.1661 9.1661 9.9677 9.9677 10.0459 10.0459 10.4562 10.4562 10.7387 10.7387 k = 0.2286 0.4055-0.0850 ( 6818 PWs) bands (ev): -20.9608 -20.9608 -20.9532 -20.9532 -17.7728 -17.7728 -17.6712 -17.6712 -13.4989 -13.4989 -13.4699 -13.4699 -9.0161 -9.0161 -8.9676 -8.9676 -7.5501 -7.5501 -7.4343 -7.4343 -5.7204 -5.7204 -5.6683 -5.6683 -5.5104 -5.5104 -5.4182 -5.4182 -2.1337 -2.1337 -2.1254 -2.1254 -1.6611 -1.6611 -1.5766 -1.5766 -1.0717 -1.0717 -1.0589 -1.0589 -0.3259 -0.3259 -0.1543 -0.1543 2.4637 2.4637 2.5164 2.5164 2.8325 2.8325 2.8850 2.8850 3.2969 3.2969 3.3526 3.3526 3.9179 3.9179 3.9773 3.9773 4.3094 4.3094 4.4348 4.4348 9.1144 9.1144 9.1655 9.1655 9.9562 9.9562 10.0600 10.0600 10.4489 10.4489 10.6911 10.6911 k = 0.2143 0.4055-0.0850 ( 6816 PWs) bands (ev): -20.9617 -20.9617 -20.9538 -20.9538 -17.7750 -17.7750 -17.6695 -17.6695 -13.4988 -13.4988 -13.4686 -13.4686 -9.0161 -9.0161 -8.9681 -8.9681 -7.5464 -7.5464 -7.4326 -7.4326 -5.7148 -5.7148 -5.6624 -5.6624 -5.5082 -5.5082 -5.4137 -5.4137 -2.1340 -2.1340 -2.1209 -2.1209 -1.6569 -1.6569 -1.5829 -1.5829 -1.0599 -1.0599 -1.0535 -1.0535 -0.3449 -0.3449 -0.1700 -0.1700 2.4838 2.4838 2.5369 2.5369 2.8264 2.8264 2.8805 2.8805 3.2819 3.2819 3.3396 3.3396 3.9224 3.9224 3.9713 3.9713 4.3168 4.3168 4.4365 4.4365 9.1038 9.1038 9.1666 9.1666 9.9378 9.9378 10.0705 10.0705 10.4472 10.4472 10.6457 10.6457 k = 0.2000 0.4055-0.0850 ( 6824 PWs) bands (ev): -20.9626 -20.9626 -20.9544 -20.9544 -17.7771 -17.7771 -17.6679 -17.6679 -13.4986 -13.4986 -13.4674 -13.4674 -9.0159 -9.0159 -8.9687 -8.9687 -7.5424 -7.5424 -7.4313 -7.4313 -5.7091 -5.7091 -5.6563 -5.6563 -5.5061 -5.5061 -5.4096 -5.4096 -2.1348 -2.1348 -2.1155 -2.1155 -1.6526 -1.6526 -1.5896 -1.5896 -1.0510 -1.0510 -1.0457 -1.0457 -0.3634 -0.3634 -0.1855 -0.1855 2.5035 2.5035 2.5571 2.5571 2.8216 2.8216 2.8772 2.8772 3.2660 3.2660 3.3257 3.3257 3.9269 3.9269 3.9655 3.9655 4.3240 4.3240 4.4379 4.4379 9.0941 9.0941 9.1692 9.1692 9.9141 9.9141 10.0768 10.0768 10.4489 10.4489 10.6033 10.6033 k = 0.1857 0.4055-0.0850 ( 6832 PWs) bands (ev): -20.9635 -20.9635 -20.9550 -20.9550 -17.7790 -17.7790 -17.6664 -17.6664 -13.4984 -13.4984 -13.4662 -13.4662 -9.0156 -9.0156 -8.9695 -8.9695 -7.5380 -7.5380 -7.4306 -7.4306 -5.7036 -5.7036 -5.6500 -5.6500 -5.5038 -5.5038 -5.4060 -5.4060 -2.1359 -2.1359 -2.1099 -2.1099 -1.6484 -1.6484 -1.5965 -1.5965 -1.0458 -1.0458 -1.0347 -1.0347 -0.3811 -0.3811 -0.2007 -0.2007 2.5224 2.5224 2.5765 2.5765 2.8184 2.8184 2.8752 2.8752 3.2493 3.2493 3.3108 3.3108 3.9313 3.9313 3.9602 3.9602 4.3311 4.3311 4.4390 4.4390 9.0851 9.0851 9.1733 9.1733 9.8868 9.8868 10.0786 10.0786 10.4513 10.4513 10.5646 10.5646 k = 0.1714 0.4055-0.0850 ( 6832 PWs) bands (ev): -20.9643 -20.9643 -20.9556 -20.9556 -17.7809 -17.7809 -17.6651 -17.6651 -13.4983 -13.4983 -13.4651 -13.4651 -9.0152 -9.0152 -8.9704 -8.9704 -7.5334 -7.5334 -7.4302 -7.4302 -5.6982 -5.6982 -5.6438 -5.6438 -5.5015 -5.5015 -5.4030 -5.4030 -2.1369 -2.1369 -2.1041 -2.1041 -1.6443 -1.6443 -1.6035 -1.6035 -1.0414 -1.0414 -1.0235 -1.0235 -0.3980 -0.3980 -0.2156 -0.2156 2.5405 2.5405 2.5950 2.5950 2.8168 2.8168 2.8748 2.8748 3.2319 3.2319 3.2949 3.2949 3.9352 3.9352 3.9559 3.9559 4.3378 4.3378 4.4400 4.4400 9.0770 9.0770 9.1788 9.1788 9.8575 9.8575 10.0756 10.0756 10.4519 10.4519 10.5305 10.5305 k = 0.1571 0.4055-0.0850 ( 6834 PWs) bands (ev): -20.9651 -20.9651 -20.9561 -20.9561 -17.7826 -17.7826 -17.6638 -17.6638 -13.4981 -13.4981 -13.4641 -13.4641 -9.0147 -9.0147 -8.9714 -8.9714 -7.5284 -7.5284 -7.4304 -7.4304 -5.6930 -5.6930 -5.6375 -5.6375 -5.4990 -5.4990 -5.4006 -5.4006 -2.1379 -2.1379 -2.0983 -2.0983 -1.6405 -1.6405 -1.6103 -1.6103 -1.0373 -1.0373 -1.0127 -1.0127 -0.4140 -0.4140 -0.2298 -0.2298 2.5574 2.5574 2.6123 2.6123 2.8172 2.8172 2.8762 2.8762 3.2137 3.2137 3.2781 3.2781 3.9375 3.9375 3.9536 3.9536 4.3442 4.3442 4.4408 4.4408 9.0697 9.0697 9.1856 9.1856 9.8274 9.8274 10.0675 10.0675 10.4490 10.4490 10.5015 10.5015 k = 0.1429 0.4055-0.0850 ( 6838 PWs) bands (ev): -20.9658 -20.9658 -20.9567 -20.9567 -17.7842 -17.7842 -17.6627 -17.6627 -13.4979 -13.4979 -13.4631 -13.4631 -9.0141 -9.0141 -8.9726 -8.9726 -7.5233 -7.5233 -7.4310 -7.4310 -5.6880 -5.6880 -5.6314 -5.6314 -5.4964 -5.4964 -5.3987 -5.3987 -2.1389 -2.1389 -2.0925 -2.0925 -1.6372 -1.6372 -1.6167 -1.6167 -1.0336 -1.0336 -1.0025 -1.0025 -0.4289 -0.4289 -0.2433 -0.2433 2.5731 2.5731 2.6281 2.6281 2.8198 2.8198 2.8794 2.8794 3.1949 3.1949 3.2605 3.2605 3.9372 3.9372 3.9545 3.9545 4.3501 4.3501 4.4415 4.4415 9.0633 9.0633 9.1936 9.1936 9.7976 9.7976 10.0548 10.0548 10.4419 10.4419 10.4776 10.4776 k = 0.1286 0.4055-0.0850 ( 6846 PWs) bands (ev): -20.9665 -20.9665 -20.9572 -20.9572 -17.7856 -17.7856 -17.6616 -17.6616 -13.4978 -13.4978 -13.4622 -13.4622 -9.0134 -9.0134 -8.9738 -8.9738 -7.5180 -7.5180 -7.4320 -7.4320 -5.6834 -5.6834 -5.6256 -5.6256 -5.4937 -5.4937 -5.3975 -5.3975 -2.1398 -2.1398 -2.0870 -2.0870 -1.6348 -1.6348 -1.6222 -1.6222 -1.0302 -1.0302 -0.9930 -0.9930 -0.4427 -0.4427 -0.2560 -0.2560 2.5873 2.5873 2.6421 2.6421 2.8248 2.8248 2.8846 2.8846 3.1754 3.1754 3.2421 3.2421 3.9349 3.9349 3.9576 3.9576 4.3554 4.3554 4.4421 4.4421 9.0577 9.0577 9.2024 9.2024 9.7688 9.7688 10.0381 10.0381 10.4315 10.4315 10.4583 10.4583 k = 0.1143 0.4055-0.0850 ( 6852 PWs) bands (ev): -20.9671 -20.9671 -20.9576 -20.9576 -17.7869 -17.7869 -17.6607 -17.6607 -13.4976 -13.4976 -13.4614 -13.4614 -9.0126 -9.0126 -8.9751 -8.9751 -7.5126 -7.5126 -7.4334 -7.4334 -5.6791 -5.6791 -5.6201 -5.6201 -5.4909 -5.4909 -5.3968 -5.3968 -2.1406 -2.1406 -2.0816 -2.0816 -1.6353 -1.6353 -1.6249 -1.6249 -1.0271 -1.0271 -0.9844 -0.9844 -0.4552 -0.4552 -0.2677 -0.2677 2.5999 2.5999 2.6540 2.6540 2.8322 2.8322 2.8919 2.8919 3.1555 3.1555 3.2231 3.2231 3.9321 3.9321 3.9615 3.9615 4.3602 4.3602 4.4426 4.4426 9.0528 9.0528 9.2120 9.2120 9.7416 9.7416 10.0184 10.0184 10.4198 10.4198 10.4422 10.4422 k = 0.1000 0.4055-0.0850 ( 6836 PWs) bands (ev): -20.9677 -20.9677 -20.9580 -20.9580 -17.7881 -17.7881 -17.6598 -17.6598 -13.4975 -13.4975 -13.4607 -13.4607 -9.0118 -9.0118 -8.9764 -8.9764 -7.5072 -7.5072 -7.4352 -7.4352 -5.6752 -5.6752 -5.6151 -5.6151 -5.4879 -5.4879 -5.3966 -5.3966 -2.1413 -2.1413 -2.0766 -2.0766 -1.6390 -1.6390 -1.6241 -1.6241 -1.0243 -1.0243 -0.9765 -0.9765 -0.4665 -0.4665 -0.2783 -0.2783 2.6108 2.6108 2.6638 2.6638 2.8421 2.8421 2.9013 2.9013 3.1351 3.1351 3.2037 3.2037 3.9294 3.9294 3.9656 3.9656 4.3644 4.3644 4.4431 4.4431 9.0487 9.0487 9.2220 9.2220 9.7167 9.7167 9.9969 9.9969 10.4082 10.4082 10.4286 10.4286 k = 0.0857 0.4055-0.0850 ( 6832 PWs) bands (ev): -20.9682 -20.9682 -20.9584 -20.9584 -17.7891 -17.7891 -17.6591 -17.6591 -13.4973 -13.4973 -13.4600 -13.4600 -9.0110 -9.0110 -8.9777 -8.9777 -7.5019 -7.5019 -7.4373 -7.4373 -5.6717 -5.6717 -5.6106 -5.6106 -5.4849 -5.4849 -5.3968 -5.3968 -2.1419 -2.1419 -2.0721 -2.0721 -1.6437 -1.6437 -1.6222 -1.6222 -1.0218 -1.0218 -0.9696 -0.9696 -0.4764 -0.4764 -0.2877 -0.2877 2.6200 2.6200 2.6715 2.6715 2.8541 2.8541 2.9124 2.9124 3.1145 3.1145 3.1840 3.1840 3.9270 3.9270 3.9695 3.9695 4.3681 4.3681 4.4436 4.4436 9.0453 9.0453 9.2320 9.2320 9.6943 9.6943 9.9749 9.9749 10.3972 10.3972 10.4174 10.4174 k = 0.0714 0.4055-0.0850 ( 6828 PWs) bands (ev): -20.9686 -20.9686 -20.9587 -20.9587 -17.7900 -17.7900 -17.6585 -17.6585 -13.4972 -13.4972 -13.4595 -13.4595 -9.0102 -9.0102 -8.9789 -8.9789 -7.4967 -7.4967 -7.4397 -7.4397 -5.6687 -5.6687 -5.6068 -5.6068 -5.4819 -5.4819 -5.3974 -5.3974 -2.1424 -2.1424 -2.0681 -2.0681 -1.6481 -1.6481 -1.6204 -1.6204 -1.0197 -1.0197 -0.9637 -0.9637 -0.4849 -0.4849 -0.2959 -0.2959 2.6277 2.6277 2.6774 2.6774 2.8679 2.8679 2.9252 2.9252 3.0938 3.0938 3.1645 3.1645 3.9250 3.9250 3.9730 3.9730 4.3711 4.3711 4.4440 4.4440 9.0425 9.0425 9.2416 9.2416 9.6747 9.6747 9.9538 9.9538 10.3868 10.3868 10.4088 10.4088 k = 0.0571 0.4055-0.0850 ( 6834 PWs) bands (ev): -20.9689 -20.9689 -20.9590 -20.9590 -17.7907 -17.7907 -17.6580 -17.6580 -13.4971 -13.4971 -13.4590 -13.4590 -9.0094 -9.0094 -8.9800 -8.9800 -7.4919 -7.4919 -7.4423 -7.4423 -5.6662 -5.6662 -5.6037 -5.6037 -5.4791 -5.4791 -5.3982 -5.3982 -2.1428 -2.1428 -2.0647 -2.0647 -1.6519 -1.6519 -1.6187 -1.6187 -1.0180 -1.0180 -0.9588 -0.9588 -0.4919 -0.4919 -0.3027 -0.3027 2.6337 2.6337 2.6817 2.6817 2.8828 2.8828 2.9393 2.9393 3.0733 3.0733 3.1455 3.1455 3.9233 3.9233 3.9760 3.9760 4.3735 4.3735 4.4443 4.4443 9.0403 9.0403 9.2505 9.2505 9.6584 9.6584 9.9347 9.9347 10.3775 10.3775 10.4025 10.4025 k = 0.0429 0.4055-0.0850 ( 6836 PWs) bands (ev): -20.9692 -20.9692 -20.9592 -20.9592 -17.7912 -17.7912 -17.6576 -17.6576 -13.4970 -13.4970 -13.4586 -13.4586 -9.0088 -9.0088 -8.9809 -8.9809 -7.4875 -7.4875 -7.4449 -7.4449 -5.6642 -5.6642 -5.6012 -5.6012 -5.4767 -5.4767 -5.3990 -5.3990 -2.1432 -2.1432 -2.0619 -2.0619 -1.6550 -1.6550 -1.6174 -1.6174 -1.0167 -1.0167 -0.9549 -0.9549 -0.4974 -0.4974 -0.3080 -0.3080 2.6383 2.6383 2.6846 2.6846 2.8978 2.8978 2.9541 2.9541 3.0532 3.0532 3.1279 3.1279 3.9221 3.9221 3.9785 3.9785 4.3753 4.3753 4.4447 4.4447 9.0387 9.0387 9.2581 9.2581 9.6455 9.6455 9.9186 9.9186 10.3697 10.3697 10.3980 10.3980 k = 0.0286 0.4055-0.0850 ( 6828 PWs) bands (ev): -20.9694 -20.9694 -20.9593 -20.9593 -17.7916 -17.7916 -17.6573 -17.6573 -13.4970 -13.4970 -13.4584 -13.4584 -9.0082 -9.0082 -8.9816 -8.9816 -7.4839 -7.4839 -7.4472 -7.4472 -5.6627 -5.6627 -5.5995 -5.5995 -5.4747 -5.4747 -5.3998 -5.3998 -2.1434 -2.1434 -2.0599 -2.0599 -1.6573 -1.6573 -1.6164 -1.6164 -1.0157 -1.0157 -0.9522 -0.9522 -0.5013 -0.5013 -0.3119 -0.3119 2.6416 2.6416 2.6866 2.6866 2.9117 2.9117 2.9690 2.9690 3.0339 3.0339 3.1129 3.1129 3.9212 3.9212 3.9803 3.9803 4.3766 4.3766 4.4449 4.4449 9.0376 9.0376 9.2639 9.2639 9.6361 9.6361 9.9065 9.9065 10.3639 10.3639 10.3951 10.3951 k = 0.0143 0.4055-0.0850 ( 6834 PWs) bands (ev): -20.9695 -20.9695 -20.9594 -20.9594 -17.7919 -17.7919 -17.6572 -17.6572 -13.4969 -13.4969 -13.4582 -13.4582 -9.0079 -9.0079 -8.9821 -8.9821 -7.4814 -7.4814 -7.4489 -7.4489 -5.6618 -5.6618 -5.5985 -5.5985 -5.4735 -5.4735 -5.4003 -5.4003 -2.1436 -2.1436 -2.0587 -2.0587 -1.6587 -1.6587 -1.6159 -1.6159 -1.0151 -1.0151 -0.9505 -0.9505 -0.5037 -0.5037 -0.3142 -0.3142 2.6435 2.6435 2.6877 2.6877 2.9222 2.9222 2.9837 2.9837 3.0162 3.0162 3.1024 3.1024 3.9207 3.9207 3.9814 3.9814 4.3774 4.3774 4.4451 4.4451 9.0369 9.0369 9.2676 9.2676 9.6305 9.6305 9.8989 9.8989 10.3603 10.3603 10.3934 10.3934 k = 0.0000 0.4055-0.0850 ( 6826 PWs) bands (ev): -20.9696 -20.9696 -20.9594 -20.9594 -17.7919 -17.7919 -17.6571 -17.6571 -13.4969 -13.4969 -13.4582 -13.4582 -9.0078 -9.0078 -8.9822 -8.9822 -7.4805 -7.4805 -7.4495 -7.4495 -5.6615 -5.6615 -5.5981 -5.5981 -5.4730 -5.4730 -5.4005 -5.4005 -2.1436 -2.1436 -2.0583 -2.0583 -1.6591 -1.6591 -1.6157 -1.6157 -1.0149 -1.0149 -0.9499 -0.9499 -0.5045 -0.5045 -0.3150 -0.3150 2.6441 2.6441 2.6881 2.6881 2.9262 2.9262 2.9953 2.9953 3.0034 3.0034 3.0985 3.0985 3.9205 3.9205 3.9817 3.9817 4.3776 4.3776 4.4451 4.4451 9.0367 9.0367 9.2689 9.2689 9.6286 9.6286 9.8963 9.8963 10.3591 10.3591 10.3928 10.3928 k = 0.0000 0.4055-0.0850 ( 6826 PWs) bands (ev): -20.9696 -20.9696 -20.9594 -20.9594 -17.7919 -17.7919 -17.6571 -17.6571 -13.4969 -13.4969 -13.4582 -13.4582 -9.0078 -9.0078 -8.9822 -8.9822 -7.4805 -7.4805 -7.4495 -7.4495 -5.6615 -5.6615 -5.5981 -5.5981 -5.4730 -5.4730 -5.4005 -5.4005 -2.1436 -2.1436 -2.0583 -2.0583 -1.6591 -1.6591 -1.6157 -1.6157 -1.0149 -1.0149 -0.9499 -0.9499 -0.5045 -0.5045 -0.3150 -0.3150 2.6441 2.6441 2.6881 2.6881 2.9262 2.9262 2.9953 2.9953 3.0034 3.0034 3.0985 3.0985 3.9205 3.9205 3.9817 3.9817 4.3776 4.3776 4.4451 4.4451 9.0367 9.0367 9.2689 9.2689 9.6286 9.6286 9.8963 9.8963 10.3591 10.3591 10.3928 10.3928 k = 0.0000 0.4084-0.0709 ( 6832 PWs) bands (ev): -20.9696 -20.9696 -20.9594 -20.9594 -17.7919 -17.7919 -17.6571 -17.6571 -13.4969 -13.4969 -13.4582 -13.4582 -9.0080 -9.0080 -8.9819 -8.9819 -7.4807 -7.4807 -7.4493 -7.4493 -5.6614 -5.6614 -5.5983 -5.5983 -5.4730 -5.4730 -5.4007 -5.4007 -2.1436 -2.1436 -2.0583 -2.0583 -1.6591 -1.6591 -1.6157 -1.6157 -1.0151 -1.0151 -0.9499 -0.9499 -0.5045 -0.5045 -0.3148 -0.3148 2.6444 2.6444 2.6879 2.6879 2.9267 2.9267 2.9956 2.9956 3.0037 3.0037 3.0986 3.0986 3.9199 3.9199 3.9811 3.9811 4.3777 4.3777 4.4449 4.4449 9.0369 9.0369 9.2692 9.2692 9.6277 9.6277 9.8933 9.8933 10.3522 10.3522 10.4045 10.4045 k = 0.0000 0.4114-0.0569 ( 6833 PWs) bands (ev): -20.9695 -20.9695 -20.9595 -20.9595 -17.7919 -17.7919 -17.6571 -17.6571 -13.4969 -13.4969 -13.4582 -13.4582 -9.0086 -9.0086 -8.9811 -8.9811 -7.4812 -7.4812 -7.4488 -7.4488 -5.6609 -5.6609 -5.5987 -5.5987 -5.4728 -5.4728 -5.4014 -5.4014 -2.1437 -2.1437 -2.0582 -2.0582 -1.6591 -1.6591 -1.6157 -1.6157 -1.0157 -1.0157 -0.9499 -0.9499 -0.5046 -0.5046 -0.3142 -0.3142 2.6453 2.6453 2.6876 2.6876 2.9281 2.9281 2.9964 2.9964 3.0045 3.0045 3.0989 3.0989 3.9182 3.9182 3.9792 3.9792 4.3780 4.3780 4.4442 4.4442 9.0372 9.0372 9.2703 9.2703 9.6252 9.6252 9.8847 9.8847 10.3418 10.3418 10.4288 10.4288 k = 0.0000 0.4143-0.0428 ( 6835 PWs) bands (ev): -20.9695 -20.9695 -20.9595 -20.9595 -17.7920 -17.7920 -17.6571 -17.6571 -13.4969 -13.4969 -13.4582 -13.4582 -9.0095 -9.0095 -8.9798 -8.9798 -7.4821 -7.4821 -7.4480 -7.4480 -5.6602 -5.6602 -5.5994 -5.5994 -5.4726 -5.4726 -5.4024 -5.4024 -2.1437 -2.1437 -2.0582 -2.0582 -1.6591 -1.6591 -1.6157 -1.6157 -1.0167 -1.0167 -0.9499 -0.9499 -0.5047 -0.5047 -0.3133 -0.3133 2.6466 2.6466 2.6873 2.6873 2.9304 2.9304 2.9976 2.9976 3.0059 3.0059 3.0994 3.0994 3.9154 3.9154 3.9761 3.9761 4.3784 4.3784 4.4430 4.4430 9.0379 9.0379 9.2721 9.2721 9.6210 9.6210 9.8713 9.8713 10.3338 10.3338 10.4588 10.4588 k = 0.0000 0.4173-0.0288 ( 6843 PWs) bands (ev): -20.9694 -20.9694 -20.9596 -20.9596 -17.7920 -17.7920 -17.6571 -17.6571 -13.4969 -13.4969 -13.4582 -13.4582 -9.0107 -9.0107 -8.9781 -8.9781 -7.4832 -7.4832 -7.4470 -7.4470 -5.6592 -5.6592 -5.6003 -5.6003 -5.4724 -5.4724 -5.4037 -5.4037 -2.1438 -2.1438 -2.0581 -2.0581 -1.6591 -1.6591 -1.6157 -1.6157 -1.0180 -1.0180 -0.9500 -0.9500 -0.5047 -0.5047 -0.3120 -0.3120 2.6477 2.6477 2.6875 2.6875 2.9336 2.9336 2.9992 2.9992 3.0079 3.0079 3.1002 3.1002 3.9114 3.9114 3.9719 3.9719 4.3789 4.3789 4.4414 4.4414 9.0388 9.0388 9.2745 9.2745 9.6154 9.6154 9.8541 9.8541 10.3287 10.3287 10.4923 10.4923 k = 0.0000 0.4202-0.0147 ( 6836 PWs) bands (ev): -20.9694 -20.9694 -20.9596 -20.9596 -17.7920 -17.7920 -17.6571 -17.6571 -13.4969 -13.4969 -13.4582 -13.4582 -9.0120 -9.0120 -8.9761 -8.9761 -7.4845 -7.4845 -7.4458 -7.4458 -5.6580 -5.6580 -5.6013 -5.6013 -5.4721 -5.4721 -5.4055 -5.4055 -2.1439 -2.1439 -2.0579 -2.0579 -1.6590 -1.6590 -1.6157 -1.6157 -1.0197 -1.0197 -0.9503 -0.9503 -0.5045 -0.5045 -0.3104 -0.3104 2.6481 2.6481 2.6888 2.6888 2.9377 2.9377 3.0010 3.0010 3.0105 3.0105 3.1012 3.1012 3.9065 3.9065 3.9667 3.9667 4.3794 4.3794 4.4395 4.4395 9.0400 9.0400 9.2774 9.2774 9.6083 9.6083 9.8342 9.8342 10.3264 10.3264 10.5267 10.5267 k = 0.0000 0.4231-0.0006 ( 6842 PWs) bands (ev): -20.9693 -20.9693 -20.9597 -20.9597 -17.7920 -17.7920 -17.6572 -17.6572 -13.4969 -13.4969 -13.4582 -13.4582 -9.0135 -9.0135 -8.9739 -8.9739 -7.4859 -7.4859 -7.4445 -7.4445 -5.6567 -5.6567 -5.6023 -5.6023 -5.4719 -5.4719 -5.4075 -5.4075 -2.1440 -2.1440 -2.0578 -2.0578 -1.6590 -1.6590 -1.6157 -1.6157 -1.0216 -1.0216 -0.9509 -0.9509 -0.5040 -0.5040 -0.3085 -0.3085 2.6471 2.6471 2.6918 2.6918 2.9423 2.9423 3.0028 3.0028 3.0137 3.0137 3.1026 3.1026 3.9006 3.9006 3.9606 3.9606 4.3798 4.3798 4.4373 4.4373 9.0415 9.0415 9.2808 9.2808 9.6000 9.6000 9.8126 9.8126 10.3267 10.3267 10.5541 10.5541 k = 0.0000 0.4261 0.0134 ( 6852 PWs) bands (ev): -20.9692 -20.9692 -20.9598 -20.9598 -17.7920 -17.7920 -17.6572 -17.6572 -13.4968 -13.4968 -13.4582 -13.4582 -9.0150 -9.0150 -8.9714 -8.9714 -7.4874 -7.4874 -7.4432 -7.4432 -5.6553 -5.6553 -5.6031 -5.6031 -5.4719 -5.4719 -5.4097 -5.4097 -2.1441 -2.1441 -2.0576 -2.0576 -1.6590 -1.6590 -1.6158 -1.6158 -1.0238 -1.0238 -0.9518 -0.9518 -0.5032 -0.5032 -0.3063 -0.3063 2.6444 2.6444 2.6967 2.6967 2.9476 2.9476 3.0047 3.0047 3.0173 3.0173 3.1044 3.1044 3.8938 3.8938 3.9540 3.9540 4.3801 4.3801 4.4348 4.4348 9.0434 9.0434 9.2844 9.2844 9.5908 9.5908 9.7902 9.7902 10.3294 10.3294 10.5516 10.5516 k = 0.0000 0.4290 0.0275 ( 6845 PWs) bands (ev): -20.9691 -20.9691 -20.9599 -20.9599 -17.7920 -17.7920 -17.6572 -17.6572 -13.4968 -13.4968 -13.4582 -13.4582 -9.0166 -9.0166 -8.9688 -8.9688 -7.4890 -7.4890 -7.4418 -7.4418 -5.6541 -5.6541 -5.6037 -5.6037 -5.4721 -5.4721 -5.4121 -5.4121 -2.1442 -2.1442 -2.0573 -2.0573 -1.6589 -1.6589 -1.6159 -1.6159 -1.0262 -1.0262 -0.9532 -0.9532 -0.5019 -0.5019 -0.3040 -0.3040 2.6402 2.6402 2.7035 2.7035 2.9533 2.9533 3.0066 3.0066 3.0212 3.0212 3.1068 3.1068 3.8863 3.8863 3.9468 3.9468 4.3802 4.3802 4.4322 4.4322 9.0456 9.0456 9.2881 9.2881 9.5806 9.5806 9.7675 9.7675 10.3343 10.3343 10.5300 10.5300 k = 0.0000 0.4320 0.0415 ( 6842 PWs) bands (ev): -20.9690 -20.9690 -20.9600 -20.9600 -17.7920 -17.7920 -17.6572 -17.6572 -13.4968 -13.4968 -13.4582 -13.4582 -9.0182 -9.0182 -8.9661 -8.9661 -7.4906 -7.4906 -7.4404 -7.4404 -5.6530 -5.6530 -5.6038 -5.6038 -5.4726 -5.4726 -5.4146 -5.4146 -2.1443 -2.1443 -2.0571 -2.0571 -1.6588 -1.6588 -1.6160 -1.6160 -1.0289 -1.0289 -0.9551 -0.9551 -0.5000 -0.5000 -0.3014 -0.3014 2.6346 2.6346 2.7118 2.7118 2.9593 2.9593 3.0085 3.0085 3.0252 3.0252 3.1097 3.1097 3.8780 3.8780 3.9394 3.9394 4.3799 4.3799 4.4295 4.4295 9.0482 9.0482 9.2918 9.2918 9.5698 9.5698 9.7454 9.7454 10.3415 10.3415 10.5065 10.5065 k = 0.0000 0.4349 0.0556 ( 6841 PWs) bands (ev): -20.9690 -20.9690 -20.9601 -20.9601 -17.7920 -17.7920 -17.6572 -17.6572 -13.4968 -13.4968 -13.4583 -13.4583 -9.0198 -9.0198 -8.9633 -8.9633 -7.4922 -7.4922 -7.4391 -7.4391 -5.6523 -5.6523 -5.6033 -5.6033 -5.4734 -5.4734 -5.4170 -5.4170 -2.1443 -2.1443 -2.0568 -2.0568 -1.6588 -1.6588 -1.6161 -1.6161 -1.0317 -1.0317 -0.9576 -0.9576 -0.4973 -0.4973 -0.2988 -0.2988 2.6279 2.6279 2.7213 2.7213 2.9653 2.9653 3.0103 3.0103 3.0292 3.0292 3.1134 3.1134 3.8693 3.8693 3.9320 3.9320 4.3794 4.3794 4.4269 4.4269 9.0512 9.0512 9.2954 9.2954 9.5584 9.5584 9.7243 9.7243 10.3508 10.3508 10.4840 10.4840 k = 0.0000 0.4379 0.0696 ( 6842 PWs) bands (ev): -20.9689 -20.9689 -20.9601 -20.9601 -17.7920 -17.7920 -17.6572 -17.6572 -13.4967 -13.4967 -13.4583 -13.4583 -9.0214 -9.0214 -8.9604 -8.9604 -7.4937 -7.4937 -7.4378 -7.4378 -5.6520 -5.6520 -5.6021 -5.6021 -5.4748 -5.4748 -5.4194 -5.4194 -2.1443 -2.1443 -2.0565 -2.0565 -1.6587 -1.6587 -1.6163 -1.6163 -1.0347 -1.0347 -0.9606 -0.9606 -0.4940 -0.4940 -0.2959 -0.2959 2.6204 2.6204 2.7318 2.7318 2.9711 2.9711 3.0122 3.0122 3.0329 3.0329 3.1179 3.1179 3.8602 3.8602 3.9246 3.9246 4.3785 4.3785 4.4244 4.4244 9.0545 9.0545 9.2987 9.2987 9.5463 9.5463 9.7051 9.7051 10.3619 10.3619 10.4634 10.4634 k = 0.0000 0.4408 0.0837 ( 6845 PWs) bands (ev): -20.9689 -20.9689 -20.9602 -20.9602 -17.7920 -17.7920 -17.6572 -17.6572 -13.4967 -13.4967 -13.4583 -13.4583 -9.0231 -9.0231 -8.9575 -8.9575 -7.4952 -7.4952 -7.4367 -7.4367 -5.6522 -5.6522 -5.6001 -5.6001 -5.4767 -5.4767 -5.4216 -5.4216 -2.1443 -2.1443 -2.0562 -2.0562 -1.6586 -1.6586 -1.6166 -1.6166 -1.0380 -1.0380 -0.9643 -0.9643 -0.4898 -0.4898 -0.2929 -0.2929 2.6122 2.6122 2.7430 2.7430 2.9763 2.9763 3.0141 3.0141 3.0362 3.0362 3.1231 3.1231 3.8509 3.8509 3.9176 3.9176 4.3772 4.3772 4.4220 4.4220 9.0581 9.0581 9.3017 9.3017 9.5333 9.5333 9.6884 9.6884 10.3742 10.3742 10.4454 10.4454 k = 0.0000 0.4438 0.0977 ( 6844 PWs) bands (ev): -20.9688 -20.9688 -20.9602 -20.9602 -17.7920 -17.7920 -17.6572 -17.6572 -13.4967 -13.4967 -13.4583 -13.4583 -9.0247 -9.0247 -8.9545 -8.9545 -7.4966 -7.4966 -7.4356 -7.4356 -5.6527 -5.6527 -5.5973 -5.5973 -5.4792 -5.4792 -5.4235 -5.4235 -2.1442 -2.1442 -2.0558 -2.0558 -1.6585 -1.6585 -1.6170 -1.6170 -1.0415 -1.0415 -0.9685 -0.9685 -0.4847 -0.4847 -0.2898 -0.2898 2.6033 2.6033 2.7549 2.7549 2.9805 2.9805 3.0162 3.0162 3.0391 3.0391 3.1292 3.1292 3.8416 3.8416 3.9110 3.9110 4.3757 4.3757 4.4197 4.4197 9.0621 9.0621 9.3041 9.3041 9.5195 9.5195 9.6750 9.6750 10.3856 10.3856 10.4318 10.4318 k = 0.0000 0.4467 0.1118 ( 6838 PWs) bands (ev): -20.9688 -20.9688 -20.9603 -20.9603 -17.7920 -17.7920 -17.6573 -17.6573 -13.4966 -13.4966 -13.4583 -13.4583 -9.0264 -9.0264 -8.9514 -8.9514 -7.4979 -7.4979 -7.4347 -7.4347 -5.6537 -5.6537 -5.5939 -5.5939 -5.4823 -5.4823 -5.4252 -5.4252 -2.1440 -2.1440 -2.0554 -2.0554 -1.6584 -1.6584 -1.6175 -1.6175 -1.0452 -1.0452 -0.9733 -0.9733 -0.4788 -0.4788 -0.2866 -0.2866 2.5940 2.5940 2.7671 2.7671 2.9834 2.9834 3.0186 3.0186 3.0416 3.0416 3.1359 3.1359 3.8325 3.8325 3.9050 3.9050 4.3740 4.3740 4.4175 4.4175 9.0662 9.0662 9.3060 9.3060 9.5047 9.5047 9.6653 9.6653 10.3892 10.3892 10.4293 10.4293 k = 0.0000 0.4496 0.1258 ( 6830 PWs) bands (ev): -20.9688 -20.9688 -20.9603 -20.9603 -17.7920 -17.7920 -17.6573 -17.6573 -13.4966 -13.4966 -13.4584 -13.4584 -9.0281 -9.0281 -8.9484 -8.9484 -7.4990 -7.4990 -7.4340 -7.4340 -5.6549 -5.6549 -5.5899 -5.5899 -5.4858 -5.4858 -5.4266 -5.4266 -2.1438 -2.1438 -2.0550 -2.0550 -1.6583 -1.6583 -1.6180 -1.6180 -1.0493 -1.0493 -0.9785 -0.9785 -0.4721 -0.4721 -0.2832 -0.2832 2.5844 2.5844 2.7796 2.7796 2.9848 2.9848 3.0213 3.0213 3.0438 3.0438 3.1431 3.1431 3.8238 3.8238 3.8998 3.8998 4.3721 4.3721 4.4155 4.4155 9.0706 9.0706 9.3072 9.3072 9.4892 9.4892 9.6595 9.6595 10.3817 10.3817 10.4410 10.4410 k = 0.5000 0.3613 0.2958 ( 6854 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7189 -17.7189 -17.7189 -17.7189 -13.4929 -13.4929 -13.4928 -13.4928 -8.9937 -8.9937 -8.9797 -8.9797 -7.5492 -7.5492 -7.5094 -7.5094 -5.7828 -5.7828 -5.7570 -5.7570 -5.5013 -5.5013 -5.4933 -5.4933 -2.1657 -2.1657 -2.1621 -2.1621 -1.6399 -1.6399 -1.6363 -1.6363 -1.1623 -1.1623 -1.1594 -1.1594 -0.0186 -0.0186 -0.0175 -0.0175 2.2998 2.2998 2.3155 2.3155 2.9589 2.9589 2.9717 2.9717 3.4318 3.4318 3.4562 3.4562 3.9212 3.9212 3.9260 3.9260 4.2988 4.2988 4.3030 4.3030 9.3466 9.3466 9.3585 9.3585 9.6678 9.6678 9.6723 9.6723 11.2240 11.2240 11.2495 11.2495 k = 0.5000 0.3474 0.2958 ( 6854 PWs) bands (ev): -20.9471 -20.9471 -20.9471 -20.9471 -17.7190 -17.7190 -17.7190 -17.7190 -13.4924 -13.4924 -13.4924 -13.4924 -8.9936 -8.9936 -8.9753 -8.9753 -7.5563 -7.5563 -7.5049 -7.5049 -5.7835 -5.7835 -5.7580 -5.7580 -5.5092 -5.5092 -5.4907 -5.4907 -2.1694 -2.1694 -2.1630 -2.1630 -1.6383 -1.6383 -1.6348 -1.6348 -1.1646 -1.1646 -1.1611 -1.1611 -0.0146 -0.0146 -0.0136 -0.0136 2.3080 2.3080 2.3283 2.3283 2.9476 2.9476 2.9649 2.9649 3.4346 3.4346 3.4663 3.4663 3.9119 3.9119 3.9186 3.9186 4.3003 4.3003 4.3047 4.3047 9.3480 9.3480 9.3622 9.3622 9.6749 9.6749 9.6790 9.6790 11.2235 11.2235 11.2507 11.2507 k = 0.5000 0.3335 0.2958 ( 6854 PWs) bands (ev): -20.9472 -20.9472 -20.9472 -20.9472 -17.7192 -17.7192 -17.7192 -17.7192 -13.4918 -13.4918 -13.4917 -13.4917 -8.9929 -8.9929 -8.9704 -8.9704 -7.5636 -7.5636 -7.5011 -7.5011 -5.7844 -5.7844 -5.7593 -5.7593 -5.5176 -5.5176 -5.4888 -5.4888 -2.1734 -2.1734 -2.1643 -2.1643 -1.6365 -1.6365 -1.6331 -1.6331 -1.1672 -1.1672 -1.1632 -1.1632 -0.0096 -0.0096 -0.0086 -0.0086 2.3183 2.3183 2.3430 2.3430 2.9346 2.9346 2.9557 2.9557 3.4386 3.4386 3.4768 3.4768 3.9026 3.9026 3.9111 3.9111 4.3012 4.3012 4.3057 4.3057 9.3512 9.3512 9.3675 9.3675 9.6827 9.6827 9.6863 9.6863 11.2180 11.2180 11.2454 11.2454 k = 0.5000 0.3196 0.2958 ( 6860 PWs) bands (ev): -20.9473 -20.9473 -20.9472 -20.9472 -17.7193 -17.7193 -17.7193 -17.7193 -13.4910 -13.4910 -13.4910 -13.4910 -8.9915 -8.9915 -8.9651 -8.9651 -7.5708 -7.5708 -7.4979 -7.4979 -5.7854 -5.7854 -5.7609 -5.7609 -5.5264 -5.5264 -5.4877 -5.4877 -2.1776 -2.1776 -2.1660 -2.1660 -1.6344 -1.6344 -1.6313 -1.6313 -1.1702 -1.1702 -1.1656 -1.1656 -0.0036 -0.0036 -0.0026 -0.0026 2.3304 2.3304 2.3594 2.3594 2.9202 2.9202 2.9446 2.9446 3.4432 3.4432 3.4870 3.4870 3.8934 3.8934 3.9039 3.9039 4.3015 4.3015 4.3062 4.3062 9.3559 9.3559 9.3741 9.3741 9.6908 9.6908 9.6939 9.6939 11.2076 11.2076 11.2337 11.2337 k = 0.5000 0.3057 0.2958 ( 6858 PWs) bands (ev): -20.9473 -20.9473 -20.9473 -20.9473 -17.7195 -17.7195 -17.7195 -17.7195 -13.4902 -13.4902 -13.4902 -13.4902 -8.9895 -8.9895 -8.9594 -8.9594 -7.5780 -7.5780 -7.4955 -7.4955 -5.7864 -5.7864 -5.7628 -5.7628 -5.5357 -5.5357 -5.4875 -5.4875 -2.1820 -2.1820 -2.1680 -2.1680 -1.6321 -1.6321 -1.6294 -1.6294 -1.1733 -1.1733 -1.1685 -1.1685 0.0034 0.0034 0.0043 0.0043 2.3444 2.3444 2.3773 2.3773 2.9048 2.9048 2.9320 2.9320 3.4476 3.4476 3.4962 3.4962 3.8850 3.8850 3.8977 3.8977 4.3013 4.3013 4.3061 4.3061 9.3618 9.3618 9.3820 9.3820 9.6989 9.6989 9.7014 9.7014 11.1936 11.1936 11.2174 11.2174 k = 0.5000 0.2918 0.2958 ( 6860 PWs) bands (ev): -20.9474 -20.9474 -20.9474 -20.9474 -17.7197 -17.7197 -17.7197 -17.7197 -13.4893 -13.4893 -13.4892 -13.4892 -8.9869 -8.9869 -8.9534 -8.9534 -7.5851 -7.5851 -7.4937 -7.4937 -5.7873 -5.7873 -5.7651 -5.7651 -5.5452 -5.5452 -5.4881 -5.4881 -2.1865 -2.1865 -2.1703 -2.1703 -1.6297 -1.6297 -1.6273 -1.6273 -1.1767 -1.1767 -1.1716 -1.1716 0.0112 0.0112 0.0121 0.0121 2.3601 2.3601 2.3966 2.3966 2.8888 2.8888 2.9184 2.9184 3.4512 3.4512 3.5036 3.5036 3.8778 3.8778 3.8930 3.8930 4.3005 4.3005 4.3054 4.3054 9.3686 9.3686 9.3906 9.3906 9.7067 9.7067 9.7087 9.7087 11.1775 11.1775 11.1988 11.1988 k = 0.5000 0.2779 0.2958 ( 6868 PWs) bands (ev): -20.9475 -20.9475 -20.9475 -20.9475 -17.7199 -17.7199 -17.7199 -17.7199 -13.4882 -13.4882 -13.4882 -13.4882 -8.9838 -8.9838 -8.9472 -8.9472 -7.5920 -7.5920 -7.4927 -7.4927 -5.7882 -5.7882 -5.7676 -5.7676 -5.5551 -5.5551 -5.4896 -5.4896 -2.1911 -2.1911 -2.1729 -2.1729 -1.6270 -1.6270 -1.6251 -1.6251 -1.1802 -1.1802 -1.1750 -1.1750 0.0197 0.0197 0.0206 0.0206 2.3773 2.3773 2.4170 2.4170 2.8724 2.8724 2.9042 2.9042 3.4530 3.4530 3.5083 3.5083 3.8724 3.8724 3.8904 3.8904 4.2992 4.2992 4.3042 4.3042 9.3759 9.3759 9.3997 9.3997 9.7138 9.7138 9.7155 9.7155 11.1610 11.1610 11.1799 11.1799 k = 0.5000 0.2640 0.2958 ( 6858 PWs) bands (ev): -20.9476 -20.9476 -20.9476 -20.9476 -17.7201 -17.7201 -17.7201 -17.7201 -13.4871 -13.4871 -13.4871 -13.4871 -8.9801 -8.9801 -8.9407 -8.9407 -7.5986 -7.5986 -7.4924 -7.4924 -5.7889 -5.7889 -5.7702 -5.7702 -5.5652 -5.5652 -5.4919 -5.4919 -2.1957 -2.1957 -2.1757 -2.1757 -1.6243 -1.6243 -1.6229 -1.6229 -1.1837 -1.1837 -1.1785 -1.1785 0.0287 0.0287 0.0297 0.0297 2.3959 2.3959 2.4384 2.4384 2.8560 2.8560 2.8898 2.8898 3.4525 3.4525 3.5098 3.5098 3.8692 3.8692 3.8903 3.8903 4.2974 4.2974 4.3025 4.3025 9.3833 9.3833 9.4089 9.4089 9.7199 9.7199 9.7216 9.7216 11.1453 11.1453 11.1619 11.1619 k = 0.5000 0.2501 0.2958 ( 6856 PWs) bands (ev): -20.9477 -20.9477 -20.9477 -20.9477 -17.7204 -17.7204 -17.7204 -17.7204 -13.4860 -13.4860 -13.4859 -13.4859 -8.9759 -8.9759 -8.9341 -8.9341 -7.6049 -7.6049 -7.4930 -7.4930 -5.7895 -5.7895 -5.7731 -5.7731 -5.5754 -5.5754 -5.4950 -5.4950 -2.2002 -2.2002 -2.1786 -2.1786 -1.6215 -1.6215 -1.6206 -1.6206 -1.1872 -1.1872 -1.1821 -1.1821 0.0383 0.0383 0.0392 0.0392 2.4158 2.4158 2.4604 2.4604 2.8398 2.8398 2.8755 2.8755 3.4492 3.4492 3.5078 3.5078 3.8688 3.8688 3.8931 3.8931 4.2950 4.2950 4.3003 4.3003 9.3903 9.3903 9.4177 9.4177 9.7250 9.7250 9.7268 9.7268 11.1312 11.1312 11.1457 11.1457 k = 0.5000 0.2362 0.2958 ( 6866 PWs) bands (ev): -20.9478 -20.9478 -20.9478 -20.9478 -17.7206 -17.7206 -17.7206 -17.7206 -13.4847 -13.4847 -13.4847 -13.4847 -8.9713 -8.9713 -8.9275 -8.9275 -7.6107 -7.6107 -7.4943 -7.4943 -5.7897 -5.7897 -5.7760 -5.7760 -5.5857 -5.5857 -5.4991 -5.4991 -2.2045 -2.2045 -2.1818 -2.1818 -1.6187 -1.6187 -1.6183 -1.6183 -1.1907 -1.1907 -1.1857 -1.1857 0.0481 0.0481 0.0491 0.0491 2.4367 2.4367 2.4828 2.4828 2.8239 2.8239 2.8617 2.8617 3.4427 3.4427 3.5021 3.5021 3.8713 3.8713 3.8988 3.8988 4.2922 4.2922 4.2977 4.2977 9.3965 9.3965 9.4257 9.4257 9.7290 9.7290 9.7312 9.7312 11.1194 11.1194 11.1317 11.1317 k = 0.5000 0.2223 0.2958 ( 6862 PWs) bands (ev): -20.9479 -20.9479 -20.9479 -20.9479 -17.7209 -17.7209 -17.7209 -17.7209 -13.4835 -13.4835 -13.4835 -13.4835 -8.9662 -8.9662 -8.9209 -8.9209 -7.6160 -7.6160 -7.4963 -7.4963 -5.7897 -5.7897 -5.7789 -5.7789 -5.5960 -5.5960 -5.5039 -5.5039 -2.2087 -2.2087 -2.1850 -2.1850 -1.6160 -1.6160 -1.6158 -1.6158 -1.1940 -1.1940 -1.1893 -1.1893 0.0582 0.0582 0.0592 0.0592 2.4585 2.4585 2.5051 2.5051 2.8086 2.8086 2.8488 2.8488 3.4329 3.4329 3.4928 3.4928 3.8767 3.8767 3.9071 3.9071 4.2890 4.2890 4.2946 4.2946 9.4014 9.4014 9.4323 9.4323 9.7321 9.7321 9.7349 9.7349 11.1100 11.1100 11.1201 11.1201 k = 0.5000 0.2084 0.2958 ( 6858 PWs) bands (ev): -20.9480 -20.9480 -20.9480 -20.9480 -17.7211 -17.7211 -17.7211 -17.7211 -13.4822 -13.4822 -13.4822 -13.4822 -8.9608 -8.9608 -8.9145 -8.9145 -7.6207 -7.6207 -7.4991 -7.4991 -5.7894 -5.7894 -5.7819 -5.7819 -5.6062 -5.6062 -5.5096 -5.5096 -2.2126 -2.2126 -2.1884 -2.1884 -1.6137 -1.6137 -1.6131 -1.6131 -1.1972 -1.1972 -1.1927 -1.1927 0.0683 0.0683 0.0693 0.0693 2.4808 2.4808 2.5271 2.5271 2.7941 2.7941 2.8371 2.8371 3.4203 3.4203 3.4805 3.4805 3.8847 3.8847 3.9178 3.9178 4.2854 4.2854 4.2912 4.2912 9.4046 9.4046 9.4370 9.4370 9.7346 9.7346 9.7383 9.7383 11.1033 11.1033 11.1110 11.1110 k = 0.5000 0.1945 0.2958 ( 6854 PWs) bands (ev): -20.9481 -20.9481 -20.9481 -20.9481 -17.7214 -17.7214 -17.7214 -17.7214 -13.4809 -13.4809 -13.4809 -13.4809 -8.9551 -8.9551 -8.9082 -8.9082 -7.6247 -7.6247 -7.5027 -7.5027 -5.7888 -5.7888 -5.7847 -5.7847 -5.6161 -5.6161 -5.5160 -5.5160 -2.2163 -2.2163 -2.1917 -2.1917 -1.6115 -1.6115 -1.6104 -1.6104 -1.2001 -1.2001 -1.1960 -1.1960 0.0784 0.0784 0.0794 0.0794 2.5035 2.5035 2.5482 2.5482 2.7807 2.7807 2.8271 2.8271 3.4049 3.4049 3.4654 3.4654 3.8950 3.8950 3.9303 3.9303 4.2814 4.2814 4.2874 4.2874 9.4058 9.4058 9.4393 9.4393 9.7370 9.7370 9.7416 9.7416 11.0991 11.0991 11.1043 11.1043 k = 0.5000 0.1806 0.2958 ( 6850 PWs) bands (ev): -20.9482 -20.9482 -20.9482 -20.9482 -17.7217 -17.7217 -17.7217 -17.7217 -13.4797 -13.4797 -13.4796 -13.4796 -8.9491 -8.9491 -8.9023 -8.9023 -7.6281 -7.6281 -7.5069 -7.5069 -5.7880 -5.7880 -5.7874 -5.7874 -5.6257 -5.6257 -5.5232 -5.5232 -2.2196 -2.2196 -2.1951 -2.1951 -1.6094 -1.6094 -1.6079 -1.6079 -1.2028 -1.2028 -1.1990 -1.1990 0.0884 0.0884 0.0893 0.0893 2.5263 2.5263 2.5678 2.5678 2.7685 2.7685 2.8192 2.8192 3.3875 3.3875 3.4482 3.4482 3.9073 3.9073 3.9441 3.9441 4.2771 4.2771 4.2833 4.2833 9.4046 9.4046 9.4388 9.4388 9.7398 9.7398 9.7452 9.7452 11.0976 11.0976 11.1001 11.1001 k = 0.5000 0.1668 0.2958 ( 6866 PWs) bands (ev): -20.9483 -20.9483 -20.9483 -20.9483 -17.7219 -17.7219 -17.7219 -17.7219 -13.4784 -13.4784 -13.4784 -13.4784 -8.9430 -8.9430 -8.8968 -8.8968 -7.6307 -7.6307 -7.5118 -7.5118 -5.7899 -5.7899 -5.7868 -5.7868 -5.6349 -5.6349 -5.5310 -5.5310 -2.2227 -2.2227 -2.1985 -2.1985 -1.6075 -1.6075 -1.6056 -1.6056 -1.2052 -1.2052 -1.2018 -1.2018 0.0980 0.0980 0.0989 0.0989 2.5485 2.5485 2.5854 2.5854 2.7579 2.7579 2.8139 2.8139 3.3684 3.3684 3.4293 3.4293 3.9209 3.9209 3.9588 3.9588 4.2724 4.2724 4.2790 4.2790 9.4011 9.4011 9.4354 9.4354 9.7433 9.7433 9.7493 9.7493 11.0984 11.0984 11.0987 11.0987 k = 0.5000 0.1529 0.2958 ( 6862 PWs) bands (ev): -20.9484 -20.9484 -20.9484 -20.9484 -17.7222 -17.7222 -17.7222 -17.7222 -13.4772 -13.4772 -13.4772 -13.4772 -8.9367 -8.9367 -8.8917 -8.8917 -7.6324 -7.6324 -7.5173 -7.5173 -5.7921 -5.7921 -5.7855 -5.7855 -5.6433 -5.6433 -5.5394 -5.5394 -2.2253 -2.2253 -2.2019 -2.2019 -1.6056 -1.6056 -1.6035 -1.6035 -1.2073 -1.2073 -1.2043 -1.2043 0.1073 0.1073 0.1082 0.1082 2.5698 2.5698 2.6003 2.6003 2.7494 2.7494 2.8117 2.8117 3.3482 3.3482 3.4093 3.4093 3.9356 3.9356 3.9738 3.9738 4.2676 4.2676 4.2745 4.2745 9.3954 9.3954 9.4291 9.4291 9.7479 9.7479 9.7541 9.7541 11.0992 11.0992 11.1022 11.1022 k = 0.5000 0.1390 0.2958 ( 6864 PWs) bands (ev): -20.9485 -20.9485 -20.9485 -20.9485 -17.7224 -17.7224 -17.7224 -17.7224 -13.4760 -13.4760 -13.4760 -13.4760 -8.9303 -8.9303 -8.8871 -8.8871 -7.6334 -7.6334 -7.5234 -7.5234 -5.7940 -5.7940 -5.7841 -5.7841 -5.6509 -5.6509 -5.5484 -5.5484 -2.2275 -2.2275 -2.2051 -2.2051 -1.6039 -1.6039 -1.6017 -1.6017 -1.2091 -1.2091 -1.2065 -1.2065 0.1161 0.1161 0.1169 0.1169 2.5893 2.5893 2.6121 2.6121 2.7437 2.7437 2.8129 2.8129 3.3274 3.3274 3.3885 3.3885 3.9509 3.9509 3.9887 3.9887 4.2625 4.2625 4.2697 4.2697 9.3879 9.3879 9.4203 9.4203 9.7534 9.7534 9.7597 9.7597 11.1026 11.1026 11.1083 11.1083 k = 0.5000 0.1251 0.2958 ( 6866 PWs) bands (ev): -20.9486 -20.9486 -20.9486 -20.9486 -17.7226 -17.7226 -17.7226 -17.7226 -13.4749 -13.4749 -13.4749 -13.4749 -8.9240 -8.9240 -8.8831 -8.8831 -7.6334 -7.6334 -7.5299 -7.5299 -5.7956 -5.7956 -5.7828 -5.7828 -5.6574 -5.6574 -5.5578 -5.5578 -2.2294 -2.2294 -2.2083 -2.2083 -1.6024 -1.6024 -1.6001 -1.6001 -1.2106 -1.2106 -1.2083 -1.2083 0.1243 0.1243 0.1251 0.1251 2.6059 2.6059 2.6205 2.6205 2.7418 2.7418 2.8173 2.8173 3.3066 3.3066 3.3672 3.3672 3.9663 3.9663 4.0033 4.0033 4.2574 4.2574 4.2649 4.2649 9.3789 9.3789 9.4096 9.4096 9.7597 9.7597 9.7657 9.7657 11.1086 11.1086 11.1168 11.1168 k = 0.5000 0.1112 0.2958 ( 6864 PWs) bands (ev): -20.9487 -20.9487 -20.9487 -20.9487 -17.7228 -17.7228 -17.7228 -17.7228 -13.4739 -13.4739 -13.4739 -13.4739 -8.9178 -8.9178 -8.8797 -8.8797 -7.6326 -7.6326 -7.5369 -7.5369 -5.7967 -5.7967 -5.7817 -5.7817 -5.6626 -5.6626 -5.5676 -5.5676 -2.2309 -2.2309 -2.2113 -2.2113 -1.6011 -1.6011 -1.5987 -1.5987 -1.2119 -1.2119 -1.2099 -1.2099 0.1319 0.1319 0.1326 0.1326 2.6185 2.6185 2.6258 2.6258 2.7445 2.7445 2.8244 2.8244 3.2862 3.2862 3.3459 3.3459 3.9817 3.9817 4.0171 4.0171 4.2522 4.2522 4.2599 4.2599 9.3692 9.3692 9.3975 9.3975 9.7665 9.7665 9.7720 9.7720 11.1171 11.1171 11.1275 11.1275 k = 0.5000 0.0973 0.2958 ( 6858 PWs) bands (ev): -20.9488 -20.9488 -20.9488 -20.9488 -17.7230 -17.7230 -17.7230 -17.7230 -13.4730 -13.4730 -13.4730 -13.4730 -8.9117 -8.9117 -8.8771 -8.8771 -7.6309 -7.6309 -7.5442 -7.5442 -5.7975 -5.7975 -5.7810 -5.7810 -5.6663 -5.6663 -5.5776 -5.5776 -2.2319 -2.2319 -2.2143 -2.2143 -1.5999 -1.5999 -1.5976 -1.5976 -1.2129 -1.2129 -1.2112 -1.2112 0.1387 0.1387 0.1394 0.1394 2.6266 2.6266 2.6286 2.6286 2.7524 2.7524 2.8333 2.8333 3.2670 3.2670 3.3248 3.3248 3.9967 3.9967 4.0299 4.0299 4.2472 4.2472 4.2550 4.2550 9.3593 9.3593 9.3847 9.3847 9.7735 9.7735 9.7783 9.7783 11.1279 11.1279 11.1402 11.1402 k = 0.5000 0.0834 0.2958 ( 6862 PWs) bands (ev): -20.9488 -20.9488 -20.9488 -20.9488 -17.7232 -17.7232 -17.7232 -17.7232 -13.4721 -13.4721 -13.4721 -13.4721 -8.9058 -8.9058 -8.8751 -8.8751 -7.6284 -7.6284 -7.5518 -7.5518 -5.7978 -5.7978 -5.7808 -5.7808 -5.6683 -5.6683 -5.5878 -5.5878 -2.2326 -2.2326 -2.2170 -2.2170 -1.5988 -1.5988 -1.5968 -1.5968 -1.2136 -1.2136 -1.2123 -1.2123 0.1448 0.1448 0.1454 0.1454 2.6297 2.6297 2.6306 2.6306 2.7645 2.7645 2.8427 2.8427 3.2494 3.2494 3.3043 3.3043 4.0109 4.0109 4.0414 4.0414 4.2424 4.2424 4.2501 4.2501 9.3497 9.3497 9.3720 9.3720 9.7802 9.7802 9.7843 9.7843 11.1408 11.1408 11.1544 11.1544 k = 0.5000 0.0695 0.2958 ( 6862 PWs) bands (ev): -20.9489 -20.9489 -20.9489 -20.9489 -17.7233 -17.7233 -17.7233 -17.7233 -13.4714 -13.4714 -13.4714 -13.4714 -8.9003 -8.9003 -8.8739 -8.8739 -7.6250 -7.6250 -7.5596 -7.5596 -5.7976 -5.7976 -5.7813 -5.7813 -5.6685 -5.6685 -5.5980 -5.5980 -2.2329 -2.2329 -2.2196 -2.2196 -1.5979 -1.5979 -1.5961 -1.5961 -1.2142 -1.2142 -1.2131 -1.2131 0.1500 0.1500 0.1505 0.1505 2.6296 2.6296 2.6318 2.6318 2.7796 2.7796 2.8514 2.8514 3.2341 3.2341 3.2846 3.2846 4.0242 4.0242 4.0512 4.0512 4.2380 4.2380 4.2454 4.2454 9.3409 9.3409 9.3599 9.3599 9.7864 9.7864 9.7898 9.7898 11.1551 11.1551 11.1693 11.1693 k = 0.5000 0.0556 0.2958 ( 6854 PWs) bands (ev): -20.9489 -20.9489 -20.9489 -20.9489 -17.7234 -17.7234 -17.7234 -17.7234 -13.4708 -13.4708 -13.4708 -13.4708 -8.8951 -8.8951 -8.8735 -8.8735 -7.6208 -7.6208 -7.5674 -7.5674 -5.7970 -5.7970 -5.7824 -5.7824 -5.6668 -5.6668 -5.6081 -5.6081 -2.2329 -2.2329 -2.2220 -2.2220 -1.5972 -1.5972 -1.5956 -1.5956 -1.2146 -1.2146 -1.2137 -1.2137 0.1544 0.1544 0.1548 0.1548 2.6290 2.6290 2.6315 2.6315 2.7961 2.7961 2.8583 2.8583 3.2220 3.2220 3.2661 3.2661 4.0363 4.0363 4.0591 4.0591 4.2342 4.2342 4.2409 4.2409 9.3336 9.3336 9.3490 9.3490 9.7919 9.7919 9.7945 9.7945 11.1702 11.1702 11.1840 11.1840 k = 0.5000 0.0417 0.2958 ( 6858 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7235 -17.7235 -17.7235 -17.7235 -13.4704 -13.4704 -13.4703 -13.4703 -8.8903 -8.8903 -8.8738 -8.8738 -7.6159 -7.6159 -7.5752 -7.5752 -5.7959 -5.7959 -5.7840 -5.7840 -5.6634 -5.6634 -5.6180 -5.6180 -2.2325 -2.2325 -2.2243 -2.2243 -1.5966 -1.5966 -1.5954 -1.5954 -1.2148 -1.2148 -1.2142 -1.2142 0.1578 0.1578 0.1581 0.1581 2.6282 2.6282 2.6304 2.6304 2.8125 2.8125 2.8624 2.8624 3.2135 3.2135 3.2493 3.2493 4.0469 4.0469 4.0649 4.0649 4.2312 4.2312 4.2369 4.2369 9.3279 9.3279 9.3396 9.3396 9.7963 9.7963 9.7983 9.7983 11.1849 11.1849 11.1971 11.1971 k = 0.5000 0.0278 0.2958 ( 6860 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4700 -13.4700 -13.4700 -13.4700 -8.8860 -8.8860 -8.8749 -8.8749 -7.6103 -7.6103 -7.5829 -7.5829 -5.7944 -5.7944 -5.7860 -5.7860 -5.6585 -5.6585 -5.6275 -5.6275 -2.2319 -2.2319 -2.2263 -2.2263 -1.5961 -1.5961 -1.5952 -1.5952 -1.2150 -1.2150 -1.2146 -1.2146 0.1603 0.1603 0.1605 0.1605 2.6276 2.6276 2.6292 2.6292 2.8280 2.8280 2.8629 2.8629 3.2093 3.2093 3.2347 3.2347 4.0557 4.0557 4.0682 4.0682 4.2293 4.2293 4.2334 4.2334 9.3242 9.3242 9.3320 9.3320 9.7997 9.7997 9.8010 9.8010 11.1980 11.1980 11.2072 11.2072 k = 0.5000 0.0139 0.2958 ( 6868 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4698 -13.4698 -13.4698 -13.4698 -8.8822 -8.8822 -8.8766 -8.8766 -7.6041 -7.6041 -7.5903 -7.5903 -5.7926 -5.7926 -5.7882 -5.7882 -5.6522 -5.6522 -5.6365 -5.6365 -2.2309 -2.2309 -2.2281 -2.2281 -1.5957 -1.5957 -1.5953 -1.5953 -1.2150 -1.2150 -1.2148 -1.2148 0.1618 0.1618 0.1619 0.1619 2.6274 2.6274 2.6282 2.6282 2.8414 2.8414 2.8595 2.8595 3.2096 3.2096 3.2228 3.2228 4.0625 4.0625 4.0689 4.0689 4.2286 4.2286 4.2308 4.2308 9.3227 9.3227 9.3266 9.3266 9.8019 9.8019 9.8026 9.8026 11.2078 11.2078 11.2129 11.2129 k = 0.5000-0.0000 0.2958 ( 6868 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7237 -17.7237 -17.7237 -17.7237 -13.4697 -13.4697 -13.4697 -13.4697 -8.8791 -8.8791 -8.8791 -8.8791 -7.5974 -7.5974 -7.5974 -7.5974 -5.7905 -5.7905 -5.7905 -5.7905 -5.6448 -5.6448 -5.6448 -5.6448 -2.2296 -2.2296 -2.2296 -2.2296 -1.5954 -1.5954 -1.5954 -1.5954 -1.2150 -1.2150 -1.2150 -1.2150 0.1624 0.1624 0.1624 0.1624 2.6275 2.6275 2.6275 2.6275 2.8522 2.8522 2.8522 2.8522 3.2142 3.2142 3.2142 3.2142 4.0669 4.0669 4.0669 4.0669 4.2291 4.2291 4.2291 4.2291 9.3235 9.3235 9.3235 9.3235 9.8029 9.8029 9.8029 9.8029 11.2131 11.2131 11.2131 11.2131 k = 0.5000-0.0000 0.2958 ( 6868 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7237 -17.7237 -17.7237 -17.7237 -13.4697 -13.4697 -13.4697 -13.4697 -8.8791 -8.8791 -8.8791 -8.8791 -7.5974 -7.5974 -7.5974 -7.5974 -5.7905 -5.7905 -5.7905 -5.7905 -5.6448 -5.6448 -5.6448 -5.6448 -2.2296 -2.2296 -2.2296 -2.2296 -1.5954 -1.5954 -1.5954 -1.5954 -1.2150 -1.2150 -1.2150 -1.2150 0.1624 0.1624 0.1624 0.1624 2.6275 2.6275 2.6275 2.6275 2.8522 2.8522 2.8522 2.8522 3.2142 3.2142 3.2142 3.2142 4.0669 4.0669 4.0669 4.0669 4.2291 4.2291 4.2291 4.2291 9.3235 9.3235 9.3235 9.3235 9.8029 9.8029 9.8029 9.8029 11.2131 11.2131 11.2131 11.2131 k = 0.5000-0.0000 0.2817 ( 6868 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7237 -17.7237 -17.7237 -17.7237 -13.4697 -13.4697 -13.4697 -13.4697 -8.8791 -8.8791 -8.8791 -8.8791 -7.5976 -7.5976 -7.5973 -7.5973 -5.7918 -5.7918 -5.7894 -5.7894 -5.6459 -5.6459 -5.6435 -5.6435 -2.2296 -2.2296 -2.2296 -2.2296 -1.5954 -1.5954 -1.5952 -1.5952 -1.2149 -1.2149 -1.2149 -1.2149 0.1623 0.1623 0.1625 0.1625 2.6267 2.6267 2.6280 2.6280 2.8516 2.8516 2.8533 2.8533 3.2128 3.2128 3.2153 3.2153 4.0664 4.0664 4.0666 4.0666 4.2284 4.2284 4.2304 4.2304 9.3237 9.3237 9.3240 9.3240 9.8025 9.8025 9.8027 9.8027 11.2129 11.2129 11.2130 11.2130 k = 0.5000-0.0000 0.2676 ( 6860 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7237 -17.7237 -17.7237 -17.7237 -13.4697 -13.4697 -13.4697 -13.4697 -8.8792 -8.8792 -8.8790 -8.8790 -7.5978 -7.5978 -7.5973 -7.5973 -5.7934 -5.7934 -5.7885 -5.7885 -5.6467 -5.6467 -5.6420 -5.6420 -2.2296 -2.2296 -2.2295 -2.2295 -1.5953 -1.5953 -1.5949 -1.5949 -1.2148 -1.2148 -1.2147 -1.2147 0.1622 0.1622 0.1627 0.1627 2.6254 2.6254 2.6280 2.6280 2.8515 2.8515 2.8550 2.8550 3.2110 3.2110 3.2159 3.2159 4.0652 4.0652 4.0655 4.0655 4.2282 4.2282 4.2321 4.2321 9.3246 9.3246 9.3252 9.3252 9.8015 9.8015 9.8019 9.8019 11.2124 11.2124 11.2125 11.2125 k = 0.5000-0.0000 0.2535 ( 6848 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4697 -13.4697 -13.4697 -13.4697 -8.8791 -8.8791 -8.8789 -8.8789 -7.5980 -7.5980 -7.5973 -7.5973 -5.7951 -5.7951 -5.7880 -5.7880 -5.6472 -5.6472 -5.6404 -5.6404 -2.2295 -2.2295 -2.2294 -2.2294 -1.5950 -1.5950 -1.5944 -1.5944 -1.2145 -1.2145 -1.2144 -1.2144 0.1622 0.1622 0.1628 0.1628 2.6237 2.6237 2.6276 2.6276 2.8521 2.8521 2.8572 2.8572 3.2090 3.2090 3.2162 3.2162 4.0632 4.0632 4.0637 4.0637 4.2285 4.2285 4.2343 4.2343 9.3263 9.3263 9.3272 9.3272 9.7999 9.7999 9.8005 9.8005 11.2115 11.2115 11.2116 11.2116 k = 0.5000-0.0000 0.2394 ( 6852 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4697 -13.4697 -13.4697 -13.4697 -8.8791 -8.8791 -8.8788 -8.8788 -7.5984 -7.5984 -7.5974 -7.5974 -5.7969 -5.7969 -5.7878 -5.7878 -5.6474 -5.6474 -5.6387 -5.6387 -2.2295 -2.2295 -2.2293 -2.2293 -1.5946 -1.5946 -1.5938 -1.5938 -1.2141 -1.2141 -1.2140 -1.2140 0.1622 0.1622 0.1630 0.1630 2.6218 2.6218 2.6267 2.6267 2.8531 2.8531 2.8597 2.8597 3.2067 3.2067 3.2161 3.2161 4.0606 4.0606 4.0611 4.0611 4.2293 4.2293 4.2367 4.2367 9.3286 9.3286 9.3297 9.3297 9.7977 9.7977 9.7984 9.7984 11.2103 11.2103 11.2103 11.2103 k = 0.5000-0.0000 0.2254 ( 6848 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4697 -13.4697 -13.4697 -13.4697 -8.8791 -8.8791 -8.8787 -8.8787 -7.5987 -7.5987 -7.5976 -7.5976 -5.7987 -5.7987 -5.7879 -5.7879 -5.6473 -5.6473 -5.6369 -5.6369 -2.2294 -2.2294 -2.2292 -2.2292 -1.5940 -1.5940 -1.5930 -1.5930 -1.2136 -1.2136 -1.2135 -1.2135 0.1622 0.1622 0.1632 0.1632 2.6196 2.6196 2.6255 2.6255 2.8546 2.8546 2.8625 2.8625 3.2042 3.2042 3.2155 3.2155 4.0576 4.0576 4.0581 4.0581 4.2305 4.2305 4.2393 4.2393 9.3315 9.3315 9.3329 9.3329 9.7950 9.7950 9.7958 9.7958 11.2085 11.2085 11.2085 11.2085 k = 0.5000-0.0000 0.2113 ( 6848 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4697 -13.4697 -13.4697 -13.4697 -8.8790 -8.8790 -8.8786 -8.8786 -7.5991 -7.5991 -7.5978 -7.5978 -5.8006 -5.8006 -5.7884 -5.7884 -5.6469 -5.6469 -5.6351 -5.6351 -2.2293 -2.2293 -2.2291 -2.2291 -1.5933 -1.5933 -1.5922 -1.5922 -1.2131 -1.2131 -1.2130 -1.2130 0.1623 0.1623 0.1635 0.1635 2.6173 2.6173 2.6240 2.6240 2.8566 2.8566 2.8656 2.8656 3.2016 3.2016 3.2146 3.2146 4.0542 4.0542 4.0546 4.0546 4.2321 4.2321 4.2420 4.2420 9.3351 9.3351 9.3368 9.3368 9.7917 9.7917 9.7927 9.7927 11.2061 11.2061 11.2062 11.2062 k = 0.5000-0.0000 0.1972 ( 6846 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4697 -13.4697 -13.4697 -13.4697 -8.8789 -8.8789 -8.8785 -8.8785 -7.5995 -7.5995 -7.5981 -7.5981 -5.8025 -5.8025 -5.7892 -5.7892 -5.6461 -5.6461 -5.6333 -5.6333 -2.2291 -2.2291 -2.2289 -2.2289 -1.5925 -1.5925 -1.5913 -1.5913 -1.2124 -1.2124 -1.2123 -1.2123 0.1624 0.1624 0.1637 0.1637 2.6150 2.6150 2.6222 2.6222 2.8588 2.8588 2.8687 2.8687 3.1988 3.1988 3.2132 3.2132 4.0506 4.0506 4.0508 4.0508 4.2339 4.2339 4.2447 4.2447 9.3392 9.3392 9.3411 9.3411 9.7879 9.7879 9.7890 9.7890 11.2030 11.2030 11.2033 11.2033 k = 0.5000-0.0000 0.1831 ( 6842 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7236 -17.7236 -17.7236 -17.7236 -13.4697 -13.4697 -13.4697 -13.4697 -8.8789 -8.8789 -8.8784 -8.8784 -7.5999 -7.5999 -7.5984 -7.5984 -5.8043 -5.8043 -5.7902 -5.7902 -5.6451 -5.6451 -5.6316 -5.6316 -2.2289 -2.2289 -2.2287 -2.2287 -1.5917 -1.5917 -1.5903 -1.5903 -1.2117 -1.2117 -1.2115 -1.2115 0.1625 0.1625 0.1639 0.1639 2.6126 2.6126 2.6203 2.6203 2.8613 2.8613 2.8718 2.8718 3.1961 3.1961 3.2115 3.2115 4.0468 4.0468 4.0469 4.0469 4.2359 4.2359 4.2473 4.2473 9.3438 9.3438 9.3459 9.3459 9.7837 9.7837 9.7848 9.7848 11.1993 11.1993 11.1996 11.1996 k = 0.5000-0.0000 0.1690 ( 6840 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7236 -17.7236 -17.7236 -17.7236 -13.4697 -13.4697 -13.4697 -13.4697 -8.8788 -8.8788 -8.8783 -8.8783 -7.6003 -7.6003 -7.5987 -7.5987 -5.8059 -5.8059 -5.7915 -5.7915 -5.6439 -5.6439 -5.6300 -5.6300 -2.2288 -2.2288 -2.2286 -2.2286 -1.5908 -1.5908 -1.5893 -1.5893 -1.2109 -1.2109 -1.2107 -1.2107 0.1626 0.1626 0.1641 0.1641 2.6103 2.6103 2.6183 2.6183 2.8639 2.8639 2.8748 2.8748 3.1933 3.1933 3.2095 3.2095 4.0429 4.0429 4.0430 4.0430 4.2380 4.2380 4.2498 4.2498 9.3488 9.3488 9.3511 9.3511 9.7791 9.7791 9.7802 9.7802 11.1948 11.1948 11.1953 11.1953 k = 0.5000-0.0000 0.1549 ( 6836 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7236 -17.7236 -17.7235 -17.7235 -13.4697 -13.4697 -13.4697 -13.4697 -8.8786 -8.8786 -8.8782 -8.8782 -7.6007 -7.6007 -7.5991 -7.5991 -5.8075 -5.8075 -5.7930 -5.7930 -5.6425 -5.6425 -5.6285 -5.6285 -2.2286 -2.2286 -2.2284 -2.2284 -1.5898 -1.5898 -1.5883 -1.5883 -1.2101 -1.2101 -1.2099 -1.2099 0.1628 0.1628 0.1643 0.1643 2.6082 2.6082 2.6162 2.6162 2.8666 2.8666 2.8777 2.8777 3.1906 3.1906 3.2071 3.2071 4.0390 4.0390 4.0393 4.0393 4.2402 4.2402 4.2520 4.2520 9.3542 9.3542 9.3565 9.3565 9.7741 9.7741 9.7752 9.7752 11.1896 11.1896 11.1903 11.1903 k = 0.5000-0.0000 0.1408 ( 6838 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7235 -17.7235 -17.7235 -17.7235 -13.4697 -13.4697 -13.4697 -13.4697 -8.8785 -8.8785 -8.8781 -8.8781 -7.6011 -7.6011 -7.5995 -7.5995 -5.8089 -5.8089 -5.7947 -5.7947 -5.6409 -5.6409 -5.6271 -5.6271 -2.2284 -2.2284 -2.2282 -2.2282 -1.5888 -1.5888 -1.5873 -1.5873 -1.2092 -1.2092 -1.2091 -1.2091 0.1630 0.1630 0.1645 0.1645 2.6062 2.6062 2.6142 2.6142 2.8693 2.8693 2.8803 2.8803 3.1881 3.1881 3.2046 3.2046 4.0353 4.0353 4.0357 4.0357 4.2423 4.2423 4.2539 4.2539 9.3598 9.3598 9.3622 9.3622 9.7689 9.7689 9.7699 9.7699 11.1838 11.1838 11.1847 11.1847 k = 0.5000-0.0000 0.1268 ( 6842 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7235 -17.7235 -17.7235 -17.7235 -13.4698 -13.4698 -13.4697 -13.4697 -8.8784 -8.8784 -8.8779 -8.8779 -7.6015 -7.6015 -7.5999 -7.5999 -5.8101 -5.8101 -5.7964 -5.7964 -5.6391 -5.6391 -5.6260 -5.6260 -2.2282 -2.2282 -2.2281 -2.2281 -1.5879 -1.5879 -1.5864 -1.5864 -1.2084 -1.2084 -1.2082 -1.2082 0.1632 0.1632 0.1647 0.1647 2.6045 2.6045 2.6121 2.6121 2.8719 2.8719 2.8826 2.8826 3.1858 3.1858 3.2019 3.2019 4.0319 4.0319 4.0324 4.0324 4.2444 4.2444 4.2556 4.2556 9.3656 9.3656 9.3680 9.3680 9.7635 9.7635 9.7645 9.7645 11.1776 11.1776 11.1787 11.1787 k = 0.5000-0.0000 0.1127 ( 6842 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7235 -17.7235 -17.7235 -17.7235 -13.4698 -13.4698 -13.4698 -13.4698 -8.8783 -8.8783 -8.8778 -8.8778 -7.6018 -7.6018 -7.6003 -7.6003 -5.8111 -5.8111 -5.7983 -5.7983 -5.6374 -5.6374 -5.6250 -5.6250 -2.2280 -2.2280 -2.2279 -2.2279 -1.5869 -1.5869 -1.5855 -1.5855 -1.2075 -1.2075 -1.2074 -1.2074 0.1634 0.1634 0.1648 0.1648 2.6029 2.6029 2.6102 2.6102 2.8744 2.8744 2.8846 2.8846 3.1837 3.1837 3.1990 3.1990 4.0287 4.0287 4.0293 4.0293 4.2465 4.2465 4.2570 4.2570 9.3713 9.3713 9.3737 9.3737 9.7581 9.7581 9.7590 9.7590 11.1712 11.1712 11.1723 11.1723 k = 0.5000-0.0000 0.0986 ( 6842 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7235 -17.7235 -17.7235 -17.7235 -13.4698 -13.4698 -13.4698 -13.4698 -8.8782 -8.8782 -8.8778 -8.8778 -7.6021 -7.6021 -7.6007 -7.6007 -5.8119 -5.8119 -5.8002 -5.8002 -5.6356 -5.6356 -5.6243 -5.6243 -2.2279 -2.2279 -2.2277 -2.2277 -1.5861 -1.5861 -1.5847 -1.5847 -1.2067 -1.2067 -1.2066 -1.2066 0.1636 0.1636 0.1649 0.1649 2.6017 2.6017 2.6084 2.6084 2.8768 2.8768 2.8862 2.8862 3.1820 3.1820 3.1962 3.1962 4.0259 4.0259 4.0265 4.0265 4.2484 4.2484 4.2581 4.2581 9.3770 9.3770 9.3792 9.3792 9.7528 9.7528 9.7535 9.7535 11.1648 11.1648 11.1659 11.1659 k = 0.5000-0.0000 0.0845 ( 6848 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7235 -17.7235 -17.7235 -17.7235 -13.4698 -13.4698 -13.4698 -13.4698 -8.8781 -8.8781 -8.8777 -8.8777 -7.6024 -7.6024 -7.6011 -7.6011 -5.8125 -5.8125 -5.8020 -5.8020 -5.6338 -5.6338 -5.6237 -5.6237 -2.2277 -2.2277 -2.2276 -2.2276 -1.5852 -1.5852 -1.5840 -1.5840 -1.2060 -1.2060 -1.2058 -1.2058 0.1638 0.1638 0.1650 0.1650 2.6007 2.6007 2.6068 2.6068 2.8790 2.8790 2.8875 2.8875 3.1806 3.1806 3.1934 3.1934 4.0234 4.0234 4.0240 4.0240 4.2502 4.2502 4.2589 4.2589 9.3823 9.3823 9.3844 9.3844 9.7477 9.7477 9.7483 9.7483 11.1585 11.1585 11.1596 11.1596 k = 0.5000-0.0000 0.0704 ( 6854 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7235 -17.7235 -17.7235 -17.7235 -13.4698 -13.4698 -13.4698 -13.4698 -8.8780 -8.8780 -8.8776 -8.8776 -7.6026 -7.6026 -7.6015 -7.6015 -5.8129 -5.8129 -5.8038 -5.8038 -5.6321 -5.6321 -5.6234 -5.6234 -2.2276 -2.2276 -2.2275 -2.2275 -1.5845 -1.5845 -1.5834 -1.5834 -1.2053 -1.2053 -1.2051 -1.2051 0.1640 0.1640 0.1650 0.1650 2.6000 2.6000 2.6052 2.6052 2.8810 2.8810 2.8884 2.8884 3.1795 3.1795 3.1906 3.1906 4.0214 4.0214 4.0219 4.0219 4.2519 4.2519 4.2594 4.2594 9.3873 9.3873 9.3891 9.3891 9.7430 9.7430 9.7436 9.7436 11.1528 11.1528 11.1538 11.1538 k = 0.5000-0.0000 0.0563 ( 6864 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7235 -17.7235 -17.7235 -17.7235 -13.4698 -13.4698 -13.4698 -13.4698 -8.8779 -8.8779 -8.8776 -8.8776 -7.6028 -7.6028 -7.6018 -7.6018 -5.8129 -5.8129 -5.8055 -5.8055 -5.6304 -5.6304 -5.6233 -5.6233 -2.2275 -2.2275 -2.2274 -2.2274 -1.5838 -1.5838 -1.5829 -1.5829 -1.2047 -1.2047 -1.2046 -1.2046 0.1642 0.1642 0.1651 0.1651 2.5996 2.5996 2.6039 2.6039 2.8828 2.8828 2.8889 2.8889 3.1789 3.1789 3.1881 3.1881 4.0197 4.0197 4.0201 4.0201 4.2534 4.2534 4.2596 4.2596 9.3916 9.3916 9.3932 9.3932 9.7389 9.7389 9.7393 9.7393 11.1478 11.1478 11.1487 11.1487 k = 0.5000-0.0000 0.0423 ( 6866 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7234 -17.7234 -17.7234 -17.7234 -13.4698 -13.4698 -13.4698 -13.4698 -8.8778 -8.8778 -8.8776 -8.8776 -7.6029 -7.6029 -7.6021 -7.6021 -5.8128 -5.8128 -5.8071 -5.8071 -5.6289 -5.6289 -5.6235 -5.6235 -2.2273 -2.2273 -2.2273 -2.2273 -1.5833 -1.5833 -1.5826 -1.5826 -1.2042 -1.2042 -1.2041 -1.2041 0.1644 0.1644 0.1650 0.1650 2.5994 2.5994 2.6027 2.6027 2.8844 2.8844 2.8891 2.8891 3.1787 3.1787 3.1858 3.1858 4.0184 4.0184 4.0187 4.0187 4.2548 4.2548 4.2596 4.2596 9.3953 9.3953 9.3965 9.3965 9.7356 9.7356 9.7358 9.7358 11.1437 11.1437 11.1444 11.1444 k = 0.5000-0.0000 0.0282 ( 6872 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7234 -17.7234 -17.7234 -17.7234 -13.4698 -13.4698 -13.4698 -13.4698 -8.8777 -8.8777 -8.8776 -8.8776 -7.6029 -7.6029 -7.6024 -7.6024 -5.8124 -5.8124 -5.8086 -5.8086 -5.6275 -5.6275 -5.6239 -5.6239 -2.2273 -2.2273 -2.2272 -2.2272 -1.5829 -1.5829 -1.5824 -1.5824 -1.2039 -1.2039 -1.2038 -1.2038 0.1645 0.1645 0.1650 0.1650 2.5994 2.5994 2.6017 2.6017 2.8858 2.8858 2.8890 2.8890 3.1789 3.1789 3.1837 3.1837 4.0175 4.0175 4.0177 4.0177 4.2561 4.2561 4.2593 4.2593 9.3981 9.3981 9.3989 9.3989 9.7331 9.7331 9.7332 9.7332 11.1407 11.1407 11.1412 11.1412 k = 0.5000-0.0000 0.0141 ( 6870 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7234 -17.7234 -17.7234 -17.7234 -13.4698 -13.4698 -13.4698 -13.4698 -8.8776 -8.8776 -8.8776 -8.8776 -7.6029 -7.6029 -7.6026 -7.6026 -5.8118 -5.8118 -5.8098 -5.8098 -5.6263 -5.6263 -5.6245 -5.6245 -2.2272 -2.2272 -2.2272 -2.2272 -1.5826 -1.5826 -1.5823 -1.5823 -1.2036 -1.2036 -1.2036 -1.2036 0.1647 0.1647 0.1649 0.1649 2.5997 2.5997 2.6008 2.6008 2.8870 2.8870 2.8886 2.8886 3.1795 3.1795 3.1819 3.1819 4.0169 4.0169 4.0171 4.0171 4.2572 4.2572 4.2588 4.2588 9.3999 9.3999 9.4003 9.4003 9.7315 9.7315 9.7316 9.7316 11.1389 11.1389 11.1391 11.1391 k = 0.5000-0.0000-0.0000 ( 6878 PWs) bands (ev): -20.9491 -20.9491 -20.9491 -20.9491 -17.7234 -17.7234 -17.7234 -17.7234 -13.4698 -13.4698 -13.4698 -13.4698 -8.8776 -8.8776 -8.8776 -8.8776 -7.6028 -7.6028 -7.6028 -7.6028 -5.8109 -5.8109 -5.8109 -5.8109 -5.6253 -5.6253 -5.6253 -5.6253 -2.2272 -2.2272 -2.2272 -2.2272 -1.5824 -1.5824 -1.5824 -1.5824 -1.2035 -1.2035 -1.2035 -1.2035 0.1648 0.1648 0.1648 0.1648 2.6001 2.6001 2.6001 2.6001 2.8879 2.8879 2.8879 2.8879 3.1805 3.1805 3.1805 3.1805 4.0168 4.0168 4.0168 4.0168 4.2581 4.2581 4.2581 4.2581 9.4006 9.4006 9.4006 9.4006 9.7310 9.7310 9.7310 9.7310 11.1383 11.1383 11.1383 11.1383 k = 0.0000 0.0000 0.2958 ( 6844 PWs) bands (ev): -20.9700 -20.9700 -20.9668 -20.9668 -17.7845 -17.7845 -17.6539 -17.6539 -13.4901 -13.4901 -13.4679 -13.4679 -9.1031 -9.1031 -8.5835 -8.5835 -7.6218 -7.6218 -7.4826 -7.4826 -5.7314 -5.7314 -5.6448 -5.6448 -5.5913 -5.5913 -5.4183 -5.4183 -2.0938 -2.0938 -2.0488 -2.0488 -1.7773 -1.7773 -1.7110 -1.7110 -1.5375 -1.5375 -1.4119 -1.4119 0.3607 0.3607 0.3967 0.3967 2.2323 2.2323 2.6852 2.6852 2.7703 2.7703 2.8314 2.8314 3.5558 3.5558 3.7329 3.7329 3.7649 3.7649 3.9044 3.9044 4.2171 4.2171 4.2538 4.2538 8.5816 8.5816 9.0904 9.0904 9.3429 9.3429 9.9033 9.9033 10.3166 10.3166 10.5388 10.5388 k = 0.0143-0.0000 0.2958 ( 6848 PWs) bands (ev): -20.9699 -20.9699 -20.9667 -20.9667 -17.7845 -17.7845 -17.6540 -17.6540 -13.4900 -13.4900 -13.4679 -13.4679 -9.1029 -9.1029 -8.5839 -8.5839 -7.6221 -7.6221 -7.4826 -7.4826 -5.7316 -5.7316 -5.6449 -5.6449 -5.5919 -5.5919 -5.4185 -5.4185 -2.0938 -2.0938 -2.0492 -2.0492 -1.7766 -1.7766 -1.7115 -1.7115 -1.5363 -1.5363 -1.4117 -1.4117 0.3602 0.3602 0.3963 0.3963 2.2327 2.2327 2.6842 2.6842 2.7678 2.7678 2.8350 2.8350 3.5550 3.5550 3.7319 3.7319 3.7656 3.7656 3.9044 3.9044 4.2176 4.2176 4.2537 4.2537 8.5830 8.5830 9.0875 9.0875 9.3479 9.3479 9.9029 9.9029 10.3182 10.3182 10.5407 10.5407 k = 0.0286-0.0000 0.2958 ( 6866 PWs) bands (ev): -20.9698 -20.9698 -20.9666 -20.9666 -17.7843 -17.7843 -17.6543 -17.6543 -13.4899 -13.4899 -13.4679 -13.4679 -9.1023 -9.1023 -8.5848 -8.5848 -7.6230 -7.6230 -7.4824 -7.4824 -5.7322 -5.7322 -5.6451 -5.6451 -5.5938 -5.5938 -5.4191 -5.4191 -2.0938 -2.0938 -2.0505 -2.0505 -1.7744 -1.7744 -1.7131 -1.7131 -1.5330 -1.5330 -1.4110 -1.4110 0.3589 0.3589 0.3950 0.3950 2.2340 2.2340 2.6813 2.6813 2.7620 2.7620 2.8442 2.8442 3.5528 3.5528 3.7290 3.7290 3.7678 3.7678 3.9044 3.9044 4.2191 4.2191 4.2533 4.2533 8.5871 8.5871 9.0793 9.0793 9.3622 9.3622 9.9017 9.9017 10.3227 10.3227 10.5465 10.5465 k = 0.0429-0.0000 0.2958 ( 6866 PWs) bands (ev): -20.9696 -20.9696 -20.9664 -20.9664 -17.7840 -17.7840 -17.6546 -17.6546 -13.4898 -13.4898 -13.4678 -13.4678 -9.1012 -9.1012 -8.5863 -8.5863 -7.6244 -7.6244 -7.4821 -7.4821 -5.7332 -5.7332 -5.6455 -5.6455 -5.5968 -5.5968 -5.4201 -5.4201 -2.0938 -2.0938 -2.0525 -2.0525 -1.7709 -1.7709 -1.7152 -1.7152 -1.5276 -1.5276 -1.4099 -1.4099 0.3567 0.3567 0.3929 0.3929 2.2361 2.2361 2.6765 2.6765 2.7553 2.7553 2.8566 2.8566 3.5491 3.5491 3.7243 3.7243 3.7713 3.7713 3.9044 3.9044 4.2216 4.2216 4.2528 4.2528 8.5939 8.5939 9.0676 9.0676 9.3841 9.3841 9.8998 9.8998 10.3303 10.3303 10.5560 10.5560 k = 0.0571-0.0000 0.2958 ( 6864 PWs) bands (ev): -20.9693 -20.9693 -20.9662 -20.9662 -17.7836 -17.7836 -17.6551 -17.6551 -13.4896 -13.4896 -13.4678 -13.4678 -9.0997 -9.0997 -8.5884 -8.5884 -7.6263 -7.6263 -7.4818 -7.4818 -5.7345 -5.7345 -5.6460 -5.6460 -5.6009 -5.6009 -5.4215 -5.4215 -2.0941 -2.0941 -2.0551 -2.0551 -1.7663 -1.7663 -1.7176 -1.7176 -1.5206 -1.5206 -1.4083 -1.4083 0.3537 0.3537 0.3900 0.3900 2.2390 2.2390 2.6697 2.6697 2.7491 2.7491 2.8708 2.8708 3.5440 3.5440 3.7179 3.7179 3.7760 3.7760 3.9045 3.9045 4.2250 4.2250 4.2521 4.2521 8.6034 8.6034 9.0542 9.0542 9.4119 9.4119 9.8972 9.8972 10.3408 10.3408 10.5690 10.5690 k = 0.0714-0.0000 0.2958 ( 6852 PWs) bands (ev): -20.9690 -20.9690 -20.9659 -20.9659 -17.7831 -17.7831 -17.6558 -17.6558 -13.4893 -13.4893 -13.4677 -13.4677 -9.0978 -9.0978 -8.5911 -8.5911 -7.6287 -7.6287 -7.4814 -7.4814 -5.7363 -5.7363 -5.6467 -5.6467 -5.6060 -5.6060 -5.4234 -5.4234 -2.0946 -2.0946 -2.0584 -2.0584 -1.7609 -1.7609 -1.7197 -1.7197 -1.5121 -1.5121 -1.4063 -1.4063 0.3498 0.3498 0.3863 0.3863 2.2428 2.2428 2.6615 2.6615 2.7439 2.7439 2.8857 2.8857 3.5376 3.5376 3.7097 3.7097 3.7819 3.7819 3.9047 3.9047 4.2292 4.2292 4.2512 4.2512 8.6156 8.6156 9.0403 9.0403 9.4440 9.4440 9.8941 9.8941 10.3540 10.3540 10.5854 10.5854 k = 0.0857-0.0000 0.2958 ( 6846 PWs) bands (ev): -20.9685 -20.9685 -20.9655 -20.9655 -17.7825 -17.7825 -17.6566 -17.6566 -13.4890 -13.4890 -13.4676 -13.4676 -9.0955 -9.0955 -8.5945 -8.5945 -7.6314 -7.6314 -7.4811 -7.4811 -5.7384 -5.7384 -5.6476 -5.6476 -5.6118 -5.6118 -5.4259 -5.4259 -2.0957 -2.0957 -2.0622 -2.0622 -1.7553 -1.7553 -1.7205 -1.7205 -1.5025 -1.5025 -1.4038 -1.4038 0.3452 0.3452 0.3818 0.3818 2.2475 2.2475 2.6521 2.6521 2.7399 2.7399 2.9011 2.9011 3.5298 3.5298 3.6999 3.6999 3.7889 3.7889 3.9051 3.9051 4.2341 4.2341 4.2500 4.2500 8.6304 8.6304 9.0269 9.0269 9.4794 9.4794 9.8903 9.8903 10.3698 10.3698 10.6049 10.6049 k = 0.1000-0.0000 0.2958 ( 6850 PWs) bands (ev): -20.9681 -20.9681 -20.9650 -20.9650 -17.7817 -17.7817 -17.6576 -17.6576 -13.4886 -13.4886 -13.4676 -13.4676 -9.0928 -9.0928 -8.5984 -8.5984 -7.6343 -7.6343 -7.4809 -7.4809 -5.7410 -5.7410 -5.6487 -5.6487 -5.6183 -5.6183 -5.4290 -5.4290 -2.0974 -2.0974 -2.0664 -2.0664 -1.7502 -1.7502 -1.7192 -1.7192 -1.4920 -1.4920 -1.4008 -1.4008 0.3398 0.3398 0.3766 0.3766 2.2532 2.2532 2.6422 2.6422 2.7367 2.7367 2.9166 2.9166 3.5207 3.5207 3.6883 3.6883 3.7969 3.7969 3.9057 3.9057 4.2394 4.2394 4.2488 4.2488 8.6477 8.6477 9.0146 9.0146 9.5173 9.5173 9.8861 9.8861 10.3882 10.3882 10.6271 10.6271 k = 0.1143-0.0000 0.2958 ( 6848 PWs) bands (ev): -20.9675 -20.9675 -20.9645 -20.9645 -17.7809 -17.7809 -17.6587 -17.6587 -13.4882 -13.4882 -13.4675 -13.4675 -9.0896 -9.0896 -8.6030 -8.6030 -7.6374 -7.6374 -7.4809 -7.4809 -5.7438 -5.7438 -5.6501 -5.6501 -5.6250 -5.6250 -5.4326 -5.4326 -2.1000 -2.1000 -2.0709 -2.0709 -1.7464 -1.7464 -1.7150 -1.7150 -1.4809 -1.4809 -1.3973 -1.3973 0.3337 0.3337 0.3706 0.3706 2.2598 2.2598 2.6320 2.6320 2.7342 2.7342 2.9321 2.9321 3.5105 3.5105 3.6751 3.6751 3.8059 3.8059 3.9066 3.9066 4.2448 4.2448 4.2478 4.2478 8.6675 8.6675 9.0039 9.0039 9.5571 9.5571 9.8813 9.8813 10.4088 10.4088 10.6518 10.6518 k = 0.1286-0.0000 0.2958 ( 6848 PWs) bands (ev): -20.9669 -20.9669 -20.9639 -20.9639 -17.7799 -17.7799 -17.6599 -17.6599 -13.4877 -13.4877 -13.4674 -13.4674 -9.0861 -9.0861 -8.6081 -8.6081 -7.6407 -7.6407 -7.4811 -7.4811 -5.7471 -5.7471 -5.6521 -5.6521 -5.6318 -5.6318 -5.4369 -5.4369 -2.1034 -2.1034 -2.0757 -2.0757 -1.7436 -1.7436 -1.7080 -1.7080 -1.4693 -1.4693 -1.3933 -1.3933 0.3270 0.3270 0.3640 0.3640 2.2674 2.2674 2.6220 2.6220 2.7321 2.7321 2.9473 2.9473 3.4992 3.4992 3.6603 3.6603 3.8158 3.8158 3.9079 3.9079 4.2451 4.2451 4.2520 4.2520 8.6898 8.6898 8.9951 8.9951 9.5982 9.5982 9.8760 9.8760 10.4317 10.4317 10.6786 10.6786 k = 0.1429-0.0000 0.2958 ( 6844 PWs) bands (ev): -20.9662 -20.9662 -20.9633 -20.9633 -17.7789 -17.7789 -17.6612 -17.6612 -13.4872 -13.4872 -13.4672 -13.4672 -9.0822 -9.0822 -8.6139 -8.6139 -7.6438 -7.6438 -7.4815 -7.4815 -5.7506 -5.7506 -5.6548 -5.6548 -5.6381 -5.6381 -5.4419 -5.4419 -2.1077 -2.1077 -2.0809 -2.0809 -1.7411 -1.7411 -1.6991 -1.6991 -1.4573 -1.4573 -1.3888 -1.3888 0.3197 0.3197 0.3567 0.3567 2.2761 2.2761 2.6124 2.6124 2.7304 2.7304 2.9623 2.9623 3.4868 3.4868 3.6439 3.6439 3.8265 3.8265 3.9095 3.9095 4.2433 4.2433 4.2582 4.2582 8.7144 8.7144 8.9883 8.9883 9.6403 9.6403 9.8700 9.8700 10.4568 10.4568 10.7071 10.7071 k = 0.1571-0.0000 0.2958 ( 6840 PWs) bands (ev): -20.9655 -20.9655 -20.9626 -20.9626 -17.7777 -17.7777 -17.6627 -17.6627 -13.4867 -13.4867 -13.4671 -13.4671 -9.0779 -9.0779 -8.6202 -8.6202 -7.6470 -7.6470 -7.4822 -7.4822 -5.7545 -5.7545 -5.6589 -5.6589 -5.6432 -5.6432 -5.4475 -5.4475 -2.1128 -2.1128 -2.0864 -2.0864 -1.7382 -1.7382 -1.6890 -1.6890 -1.4452 -1.4452 -1.3836 -1.3836 0.3119 0.3119 0.3489 0.3489 2.2858 2.2858 2.6034 2.6034 2.7289 2.7289 2.9768 2.9768 3.4736 3.4736 3.6260 3.6260 3.8380 3.8380 3.9116 3.9116 4.2412 4.2412 4.2646 4.2646 8.7412 8.7412 8.9836 8.9836 9.6828 9.6828 9.8634 9.8634 10.4838 10.4838 10.7369 10.7369 k = 0.1714-0.0000 0.2958 ( 6844 PWs) bands (ev): -20.9647 -20.9647 -20.9619 -20.9619 -17.7764 -17.7764 -17.6643 -17.6643 -13.4861 -13.4861 -13.4670 -13.4670 -9.0732 -9.0732 -8.6271 -8.6271 -7.6499 -7.6499 -7.4832 -7.4832 -5.7586 -5.7586 -5.6643 -5.6643 -5.6470 -5.6470 -5.4538 -5.4538 -2.1185 -2.1185 -2.0925 -2.0925 -1.7347 -1.7347 -1.6782 -1.6782 -1.4329 -1.4329 -1.3777 -1.3777 0.3037 0.3037 0.3405 0.3405 2.2967 2.2967 2.5951 2.5951 2.7276 2.7276 2.9909 2.9909 3.4596 3.4596 3.6066 3.6066 3.8502 3.8502 3.9141 3.9141 4.2389 4.2389 4.2709 4.2709 8.7701 8.7701 8.9810 8.9810 9.7253 9.7253 9.8560 9.8560 10.5128 10.5128 10.7679 10.7679 k = 0.1857-0.0000 0.2958 ( 6848 PWs) bands (ev): -20.9639 -20.9639 -20.9612 -20.9612 -17.7750 -17.7750 -17.6661 -17.6661 -13.4854 -13.4854 -13.4669 -13.4669 -9.0681 -9.0681 -8.6346 -8.6346 -7.6526 -7.6526 -7.4845 -7.4845 -5.7631 -5.7631 -5.6707 -5.6707 -5.6498 -5.6498 -5.4607 -5.4607 -2.1248 -2.1248 -2.0991 -2.0991 -1.7303 -1.7303 -1.6672 -1.6672 -1.4206 -1.4206 -1.3711 -1.3711 0.2950 0.2950 0.3317 0.3317 2.3087 2.3087 2.5876 2.5876 2.7263 2.7263 3.0045 3.0045 3.4449 3.4449 3.5858 3.5858 3.8630 3.8630 3.9170 3.9170 4.2364 4.2364 4.2770 4.2770 8.8010 8.8010 8.9807 8.9807 9.7672 9.7672 9.8478 9.8478 10.5436 10.5436 10.7996 10.7996 k = 0.2000-0.0000 0.2958 ( 6842 PWs) bands (ev): -20.9630 -20.9630 -20.9604 -20.9604 -17.7735 -17.7735 -17.6679 -17.6679 -13.4848 -13.4848 -13.4668 -13.4668 -9.0627 -9.0627 -8.6427 -8.6427 -7.6550 -7.6550 -7.4863 -7.4863 -5.7677 -5.7677 -5.6775 -5.6775 -5.6521 -5.6521 -5.4681 -5.4681 -2.1314 -2.1314 -2.1061 -2.1061 -1.7251 -1.7251 -1.6563 -1.6563 -1.4085 -1.4085 -1.3637 -1.3637 0.2861 0.2861 0.3224 0.3224 2.3218 2.3218 2.5810 2.5810 2.7250 2.7250 3.0176 3.0176 3.4297 3.4297 3.5638 3.5638 3.8764 3.8764 3.9204 3.9204 4.2337 4.2337 4.2828 4.2828 8.8337 8.8337 8.9825 8.9825 9.8073 9.8073 9.8393 9.8393 10.5760 10.5760 10.8320 10.8320 k = 0.2143-0.0000 0.2958 ( 6840 PWs) bands (ev): -20.9621 -20.9621 -20.9596 -20.9596 -17.7720 -17.7720 -17.6699 -17.6699 -13.4841 -13.4841 -13.4667 -13.4667 -9.0570 -9.0570 -8.6512 -8.6512 -7.6570 -7.6570 -7.4884 -7.4884 -5.7724 -5.7724 -5.6842 -5.6842 -5.6540 -5.6540 -5.4761 -5.4761 -2.1383 -2.1383 -2.1136 -2.1136 -1.7193 -1.7193 -1.6455 -1.6455 -1.3965 -1.3965 -1.3555 -1.3555 0.2770 0.2770 0.3128 0.3128 2.3362 2.3362 2.5754 2.5754 2.7236 2.7236 3.0300 3.0300 3.4140 3.4140 3.5406 3.5406 3.8902 3.8902 3.9243 3.9243 4.2307 4.2307 4.2881 4.2881 8.8681 8.8681 8.9866 8.9866 9.8250 9.8250 9.8504 9.8504 10.6101 10.6101 10.8650 10.8650 k = 0.2286-0.0000 0.2958 ( 6844 PWs) bands (ev): -20.9612 -20.9612 -20.9588 -20.9588 -17.7703 -17.7703 -17.6720 -17.6720 -13.4833 -13.4833 -13.4666 -13.4666 -9.0509 -9.0509 -8.6603 -8.6603 -7.6587 -7.6587 -7.4909 -7.4909 -5.7772 -5.7772 -5.6909 -5.6909 -5.6558 -5.6558 -5.4846 -5.4846 -2.1453 -2.1453 -2.1215 -2.1215 -1.7129 -1.7129 -1.6352 -1.6352 -1.3848 -1.3848 -1.3465 -1.3465 0.2678 0.2678 0.3030 0.3030 2.3517 2.3517 2.5707 2.5707 2.7222 2.7222 3.0418 3.0418 3.3979 3.3979 3.5164 3.5164 3.9044 3.9044 3.9287 3.9287 4.2276 4.2276 4.2929 4.2929 8.9038 8.9038 8.9928 8.9928 9.8145 9.8145 9.8861 9.8861 10.6456 10.6456 10.8986 10.8986 k = 0.2429-0.0000 0.2958 ( 6858 PWs) bands (ev): -20.9603 -20.9603 -20.9580 -20.9580 -17.7685 -17.7685 -17.6741 -17.6741 -13.4826 -13.4826 -13.4665 -13.4665 -9.0445 -9.0445 -8.6698 -8.6698 -7.6599 -7.6599 -7.4939 -7.4939 -5.7820 -5.7820 -5.6973 -5.6973 -5.6575 -5.6575 -5.4935 -5.4935 -2.1525 -2.1525 -2.1296 -2.1296 -1.7061 -1.7061 -1.6255 -1.6255 -1.3733 -1.3733 -1.3367 -1.3367 0.2585 0.2585 0.2929 0.2929 2.3684 2.3684 2.5670 2.5670 2.7206 2.7206 3.0530 3.0530 3.3816 3.3816 3.4913 3.4913 3.9189 3.9189 3.9336 3.9336 4.2241 4.2241 4.2972 4.2972 8.9404 8.9404 9.0015 9.0015 9.8017 9.8017 9.9201 9.9201 10.6824 10.6824 10.9328 10.9328 k = 0.2571-0.0000 0.2958 ( 6864 PWs) bands (ev): -20.9594 -20.9594 -20.9572 -20.9572 -17.7666 -17.7666 -17.6764 -17.6764 -13.4818 -13.4818 -13.4665 -13.4665 -9.0378 -9.0378 -8.6798 -8.6798 -7.6606 -7.6606 -7.4972 -7.4972 -5.7867 -5.7867 -5.7034 -5.7034 -5.6591 -5.6591 -5.5028 -5.5028 -2.1596 -2.1596 -2.1378 -2.1378 -1.6990 -1.6990 -1.6165 -1.6165 -1.3619 -1.3619 -1.3264 -1.3264 0.2492 0.2492 0.2828 0.2828 2.3864 2.3864 2.5642 2.5642 2.7187 2.7187 3.0634 3.0634 3.3648 3.3648 3.4656 3.4656 3.9329 3.9329 3.9396 3.9396 4.2205 4.2205 4.3007 4.3007 8.9767 8.9767 9.0136 9.0136 9.7875 9.7875 9.9508 9.9508 10.7203 10.7203 10.9677 10.9677 k = 0.2714-0.0000 0.2958 ( 6860 PWs) bands (ev): -20.9585 -20.9585 -20.9564 -20.9564 -17.7647 -17.7647 -17.6788 -17.6788 -13.4810 -13.4810 -13.4664 -13.4664 -9.0307 -9.0307 -8.6902 -8.6902 -7.6607 -7.6607 -7.5009 -7.5009 -5.7912 -5.7912 -5.7092 -5.7092 -5.6606 -5.6606 -5.5124 -5.5124 -2.1667 -2.1667 -2.1462 -2.1462 -1.6918 -1.6918 -1.6084 -1.6084 -1.3507 -1.3507 -1.3157 -1.3157 0.2400 0.2400 0.2726 0.2726 2.4055 2.4055 2.5624 2.5624 2.7166 2.7166 3.0731 3.0731 3.3477 3.3477 3.4397 3.4397 3.9427 3.9427 3.9505 3.9505 4.2166 4.2166 4.3035 4.3035 9.0072 9.0072 9.0342 9.0342 9.7723 9.7723 9.9774 9.9774 10.7590 10.7590 11.0032 11.0032 k = 0.2857-0.0000 0.2958 ( 6856 PWs) bands (ev): -20.9576 -20.9576 -20.9556 -20.9556 -17.7626 -17.7626 -17.6812 -17.6812 -13.4802 -13.4802 -13.4664 -13.4664 -9.0234 -9.0234 -8.7009 -8.7009 -7.6604 -7.6604 -7.5050 -7.5050 -5.7954 -5.7954 -5.7148 -5.7148 -5.6619 -5.6619 -5.5222 -5.5222 -2.1737 -2.1737 -2.1544 -2.1544 -1.6845 -1.6845 -1.6012 -1.6012 -1.3395 -1.3395 -1.3047 -1.3047 0.2310 0.2310 0.2625 0.2625 2.4259 2.4259 2.5615 2.5615 2.7142 2.7142 3.0819 3.0819 3.3301 3.3301 3.4139 3.4139 3.9492 3.9492 3.9652 3.9652 4.2125 4.2125 4.3055 4.3055 9.0269 9.0269 9.0680 9.0680 9.7560 9.7560 9.9994 9.9994 10.7982 10.7982 11.0392 11.0392 k = 0.3000-0.0000 0.2958 ( 6858 PWs) bands (ev): -20.9567 -20.9567 -20.9548 -20.9548 -17.7605 -17.7605 -17.6837 -17.6837 -13.4794 -13.4794 -13.4664 -13.4664 -9.0157 -9.0157 -8.7120 -8.7120 -7.6595 -7.6595 -7.5095 -7.5095 -5.7991 -5.7991 -5.7203 -5.7203 -5.6631 -5.6631 -5.5321 -5.5321 -2.1804 -2.1804 -2.1625 -2.1625 -1.6772 -1.6772 -1.5950 -1.5950 -1.3283 -1.3283 -1.2938 -1.2938 0.2223 0.2223 0.2524 0.2524 2.4474 2.4474 2.5614 2.5614 2.7114 2.7114 3.0899 3.0899 3.3117 3.3117 3.3889 3.3889 3.9558 3.9558 3.9804 3.9804 4.2082 4.2082 4.3066 4.3066 9.0432 9.0432 9.1070 9.1070 9.7391 9.7391 10.0164 10.0164 10.8377 10.8377 11.0753 11.0753 k = 0.3143-0.0000 0.2958 ( 6850 PWs) bands (ev): -20.9558 -20.9558 -20.9540 -20.9540 -17.7582 -17.7582 -17.6863 -17.6863 -13.4787 -13.4787 -13.4664 -13.4664 -9.0077 -9.0077 -8.7234 -8.7234 -7.6581 -7.6581 -7.5144 -7.5144 -5.8024 -5.8024 -5.7255 -5.7255 -5.6641 -5.6641 -5.5420 -5.5420 -2.1869 -2.1869 -2.1704 -2.1704 -1.6700 -1.6700 -1.5898 -1.5898 -1.3171 -1.3171 -1.2831 -1.2831 0.2139 0.2139 0.2426 0.2426 2.4700 2.4700 2.5623 2.5623 2.7082 2.7082 3.0967 3.0967 3.2922 3.2922 3.3653 3.3653 3.9626 3.9626 3.9956 3.9956 4.2037 4.2037 4.3068 4.3068 9.0597 9.0597 9.1473 9.1473 9.7217 9.7217 10.0283 10.0283 10.8770 10.8770 11.1107 11.1107 k = 0.3286-0.0000 0.2958 ( 6850 PWs) bands (ev): -20.9550 -20.9550 -20.9533 -20.9533 -17.7559 -17.7559 -17.6890 -17.6890 -13.4779 -13.4779 -13.4665 -13.4665 -8.9995 -8.9995 -8.7350 -8.7350 -7.6561 -7.6561 -7.5195 -7.5195 -5.8052 -5.8052 -5.7307 -5.7307 -5.6649 -5.6649 -5.5520 -5.5520 -2.1931 -2.1931 -2.1780 -2.1780 -1.6630 -1.6630 -1.5855 -1.5855 -1.3059 -1.3059 -1.2727 -1.2727 0.2060 0.2060 0.2330 0.2330 2.4938 2.4938 2.5639 2.5639 2.7047 2.7047 3.1020 3.1020 3.2716 3.2716 3.3438 3.3438 3.9697 3.9697 4.0107 4.0107 4.1992 4.1992 4.3062 4.3062 9.0770 9.0770 9.1877 9.1877 9.7043 9.7043 10.0349 10.0349 10.9157 10.9157 11.1442 11.1442 k = 0.3429-0.0000 0.2958 ( 6842 PWs) bands (ev): -20.9541 -20.9541 -20.9526 -20.9526 -17.7536 -17.7536 -17.6917 -17.6917 -13.4771 -13.4771 -13.4665 -13.4665 -8.9909 -8.9909 -8.7468 -8.7468 -7.6536 -7.6536 -7.5251 -7.5251 -5.8074 -5.8074 -5.7358 -5.7358 -5.6654 -5.6654 -5.5618 -5.5618 -2.1990 -2.1990 -2.1853 -2.1853 -1.6561 -1.6561 -1.5823 -1.5823 -1.2950 -1.2950 -1.2628 -1.2628 0.1985 0.1985 0.2238 0.2238 2.5185 2.5185 2.5663 2.5663 2.7006 2.7006 3.1052 3.1052 3.2501 3.2501 3.3247 3.3247 3.9771 3.9771 4.0253 4.0253 4.1947 4.1947 4.3045 4.3045 9.0952 9.0952 9.2274 9.2274 9.6875 9.6875 10.0363 10.0363 10.9535 10.9535 11.1743 11.1743 k = 0.3571-0.0000 0.2958 ( 6844 PWs) bands (ev): -20.9534 -20.9534 -20.9520 -20.9520 -17.7511 -17.7511 -17.6945 -17.6945 -13.4763 -13.4763 -13.4666 -13.4666 -8.9821 -8.9821 -8.7588 -8.7588 -7.6505 -7.6505 -7.5309 -7.5309 -5.8090 -5.8090 -5.7408 -5.7408 -5.6657 -5.6657 -5.5715 -5.5715 -2.2045 -2.2045 -2.1921 -2.1921 -1.6495 -1.6495 -1.5800 -1.5800 -1.2842 -1.2842 -1.2536 -1.2536 0.1915 0.1915 0.2150 0.2150 2.5442 2.5442 2.5696 2.5696 2.6962 2.6962 3.1051 3.1051 3.2293 3.2293 3.3081 3.3081 3.9848 3.9848 4.0394 4.0394 4.1905 4.1905 4.3020 4.3020 9.1143 9.1143 9.2655 9.2655 9.6719 9.6719 10.0327 10.0327 10.9897 10.9897 11.1998 11.1998 k = 0.3714-0.0000 0.2958 ( 6850 PWs) bands (ev): -20.9527 -20.9527 -20.9514 -20.9514 -17.7486 -17.7486 -17.6973 -17.6973 -13.4755 -13.4755 -13.4668 -13.4668 -8.9730 -8.9730 -8.7709 -8.7709 -7.6470 -7.6470 -7.5369 -7.5369 -5.8099 -5.8099 -5.7459 -5.7459 -5.6656 -5.6656 -5.5809 -5.5809 -2.2095 -2.2095 -2.1984 -2.1984 -1.6430 -1.6430 -1.5785 -1.5785 -1.2739 -1.2739 -1.2451 -1.2451 0.1852 0.1852 0.2067 0.2067 2.5692 2.5692 2.5749 2.5749 2.6915 2.6915 3.0998 3.0998 3.2114 3.2114 3.2936 3.2936 3.9927 3.9927 4.0525 4.0525 4.1867 4.1867 4.2984 4.2984 9.1341 9.1341 9.3008 9.3008 9.6587 9.6587 10.0244 10.0244 11.0240 11.0240 11.2194 11.2194 k = 0.3857-0.0000 0.2958 ( 6848 PWs) bands (ev): -20.9520 -20.9520 -20.9509 -20.9509 -17.7460 -17.7460 -17.7002 -17.7002 -13.4748 -13.4748 -13.4670 -13.4670 -8.9636 -8.9636 -8.7831 -8.7831 -7.6430 -7.6430 -7.5432 -7.5432 -5.8101 -5.8101 -5.7510 -5.7510 -5.6651 -5.6651 -5.5899 -5.5899 -2.2140 -2.2140 -2.2043 -2.2043 -1.6368 -1.6368 -1.5779 -1.5779 -1.2640 -1.2640 -1.2375 -1.2375 0.1795 0.1795 0.1989 0.1989 2.5771 2.5771 2.5988 2.5988 2.6866 2.6866 3.0875 3.0875 3.1989 3.1989 3.2808 3.2808 4.0009 4.0009 4.0642 4.0642 4.1839 4.1839 4.2940 4.2940 9.1545 9.1545 9.3319 9.3319 9.6493 9.6493 10.0118 10.0118 11.0560 11.0560 11.2331 11.2331 k = 0.4000-0.0000 0.2958 ( 6850 PWs) bands (ev): -20.9514 -20.9514 -20.9504 -20.9504 -17.7434 -17.7434 -17.7031 -17.7031 -13.4740 -13.4740 -13.4672 -13.4672 -8.9539 -8.9539 -8.7954 -8.7954 -7.6385 -7.6385 -7.5497 -7.5497 -5.8097 -5.8097 -5.7561 -5.7561 -5.6642 -5.6642 -5.5986 -5.5986 -2.2181 -2.2181 -2.2096 -2.2096 -1.6307 -1.6307 -1.5781 -1.5781 -1.2547 -1.2547 -1.2308 -1.2308 0.1745 0.1745 0.1917 0.1917 2.5821 2.5821 2.6259 2.6259 2.6821 2.6821 3.0678 3.0678 3.1924 3.1924 3.2694 3.2694 4.0092 4.0092 4.0739 4.0739 4.1826 4.1826 4.2885 4.2885 9.1755 9.1755 9.3568 9.3568 9.6455 9.6455 9.9952 9.9952 11.0853 11.0853 11.2412 11.2412 k = 0.4143-0.0000 0.2958 ( 6858 PWs) bands (ev): -20.9508 -20.9508 -20.9500 -20.9500 -17.7407 -17.7407 -17.7060 -17.7060 -13.4733 -13.4733 -13.4674 -13.4674 -8.9439 -8.9439 -8.8076 -8.8076 -7.6336 -7.6336 -7.5564 -7.5564 -5.8086 -5.8086 -5.7612 -5.7612 -5.6629 -5.6629 -5.6068 -5.6068 -2.2216 -2.2216 -2.2143 -2.2143 -1.6249 -1.6249 -1.5789 -1.5789 -1.2462 -1.2462 -1.2251 -1.2251 0.1703 0.1703 0.1852 0.1852 2.5876 2.5876 2.6499 2.6499 2.6814 2.6814 3.0426 3.0426 3.1907 3.1907 3.2592 3.2592 4.0177 4.0177 4.0809 4.0809 4.1833 4.1833 4.2822 4.2822 9.1968 9.1968 9.3734 9.3734 9.6494 9.6494 9.9751 9.9751 11.1117 11.1117 11.2448 11.2448 k = 0.4286-0.0000 0.2958 ( 6856 PWs) bands (ev): -20.9503 -20.9503 -20.9496 -20.9496 -17.7380 -17.7380 -17.7089 -17.7089 -13.4727 -13.4727 -13.4677 -13.4677 -8.9337 -8.9337 -8.8198 -8.8198 -7.6283 -7.6283 -7.5632 -7.5632 -5.8069 -5.8069 -5.7663 -5.7663 -5.6612 -5.6612 -5.6145 -5.6145 -2.2245 -2.2245 -2.2184 -2.2184 -1.6194 -1.6194 -1.5804 -1.5804 -1.2385 -1.2385 -1.2205 -1.2205 0.1669 0.1669 0.1794 0.1794 2.5935 2.5935 2.6582 2.6582 2.6968 2.6968 3.0138 3.0138 3.1919 3.1919 3.2500 3.2500 4.0262 4.0262 4.0848 4.0848 4.1865 4.1865 4.2751 4.2751 9.2183 9.2183 9.3808 9.3808 9.6618 9.6618 9.9518 9.9518 11.1351 11.1351 11.2448 11.2448 k = 0.4429-0.0000 0.2958 ( 6858 PWs) bands (ev): -20.9499 -20.9499 -20.9494 -20.9494 -17.7352 -17.7352 -17.7119 -17.7119 -13.4720 -13.4720 -13.4680 -13.4680 -8.9233 -8.9233 -8.8319 -8.8319 -7.6227 -7.6227 -7.5700 -7.5700 -5.8046 -5.8046 -5.7714 -5.7714 -5.6589 -5.6589 -5.6217 -5.6217 -2.2268 -2.2268 -2.2220 -2.2220 -1.6140 -1.6140 -1.5824 -1.5824 -1.2316 -1.2316 -1.2170 -1.2170 0.1643 0.1643 0.1744 0.1744 2.5998 2.5998 2.6547 2.6547 2.7246 2.7246 2.9829 2.9829 3.1948 3.1948 3.2416 3.2416 4.0347 4.0347 4.0855 4.0855 4.1922 4.1922 4.2671 4.2671 9.2400 9.2400 9.3795 9.3795 9.6820 9.6820 9.9257 9.9257 11.1556 11.1556 11.2421 11.2421 k = 0.4571-0.0000 0.2958 ( 6862 PWs) bands (ev): -20.9496 -20.9496 -20.9492 -20.9492 -17.7323 -17.7323 -17.7148 -17.7148 -13.4714 -13.4714 -13.4684 -13.4684 -8.9126 -8.9126 -8.8439 -8.8439 -7.6167 -7.6167 -7.5769 -7.5769 -5.8018 -5.8018 -5.7764 -5.7764 -5.6562 -5.6562 -5.6284 -5.6284 -2.2284 -2.2284 -2.2248 -2.2248 -1.6089 -1.6089 -1.5850 -1.5850 -1.2258 -1.2258 -1.2147 -1.2147 0.1625 0.1625 0.1701 0.1701 2.6064 2.6064 2.6486 2.6486 2.7552 2.7552 2.9508 2.9508 3.1988 3.1988 3.2339 3.2339 4.0432 4.0432 4.0835 4.0835 4.1999 4.1999 4.2584 4.2584 9.2616 9.2616 9.3713 9.3713 9.7082 9.7082 9.8974 9.8974 11.1734 11.1734 11.2373 11.2373 k = 0.4714-0.0000 0.2958 ( 6858 PWs) bands (ev): -20.9493 -20.9493 -20.9490 -20.9490 -17.7295 -17.7295 -17.7178 -17.7178 -13.4708 -13.4708 -13.4688 -13.4688 -8.9017 -8.9017 -8.8558 -8.8558 -7.6105 -7.6105 -7.5838 -7.5838 -5.7984 -5.7984 -5.7813 -5.7813 -5.6530 -5.6530 -5.6344 -5.6344 -2.2295 -2.2295 -2.2271 -2.2271 -1.6041 -1.6041 -1.5881 -1.5881 -1.2211 -1.2211 -1.2136 -1.2136 0.1616 0.1616 0.1667 0.1667 2.6133 2.6133 2.6418 2.6418 2.7870 2.7870 2.9181 2.9181 3.2034 3.2034 3.2268 3.2268 4.0515 4.0515 4.0794 4.0794 4.2090 4.2090 4.2491 4.2491 9.2829 9.2829 9.3583 9.3583 9.7381 9.7381 9.8671 9.8671 11.1887 11.1887 11.2307 11.2307 k = 0.4857-0.0000 0.2958 ( 6862 PWs) bands (ev): -20.9491 -20.9491 -20.9490 -20.9490 -17.7266 -17.7266 -17.7207 -17.7207 -13.4703 -13.4703 -13.4692 -13.4692 -8.8905 -8.8905 -8.8675 -8.8675 -7.6041 -7.6041 -7.5907 -7.5907 -5.7946 -5.7946 -5.7860 -5.7860 -5.6492 -5.6492 -5.6399 -5.6399 -2.2299 -2.2299 -2.2287 -2.2287 -1.5996 -1.5996 -1.5915 -1.5915 -1.2174 -1.2174 -1.2137 -1.2137 0.1615 0.1615 0.1641 0.1641 2.6204 2.6204 2.6347 2.6347 2.8194 2.8194 2.8852 2.8852 3.2086 3.2086 3.2203 3.2203 4.0595 4.0595 4.0737 4.0737 4.2189 4.2189 4.2392 4.2392 9.3036 9.3036 9.3420 9.3420 9.7701 9.7701 9.8354 9.8354 11.2018 11.2018 11.2227 11.2227 k = 0.5000-0.0000 0.2958 ( 6868 PWs) bands (ev): -20.9490 -20.9490 -20.9490 -20.9490 -17.7237 -17.7237 -17.7237 -17.7237 -13.4697 -13.4697 -13.4697 -13.4697 -8.8791 -8.8791 -8.8791 -8.8791 -7.5974 -7.5974 -7.5974 -7.5974 -5.7905 -5.7905 -5.7905 -5.7905 -5.6448 -5.6448 -5.6448 -5.6448 -2.2296 -2.2296 -2.2296 -2.2296 -1.5954 -1.5954 -1.5954 -1.5954 -1.2150 -1.2150 -1.2150 -1.2150 0.1624 0.1624 0.1624 0.1624 2.6275 2.6275 2.6275 2.6275 2.8522 2.8522 2.8522 2.8522 3.2142 3.2142 3.2142 3.2142 4.0669 4.0669 4.0669 4.0669 4.2291 4.2291 4.2291 4.2291 9.3235 9.3235 9.3235 9.3235 9.8029 9.8029 9.8029 9.8029 11.2131 11.2131 11.2131 11.2131 Writing output data file BaN3Cl.save init_run : 0.50s CPU 0.69s WALL ( 1 calls) electrons : 235.48s CPU 238.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 235.48s CPU 238.67s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.11s WALL ( 254 calls) cegterg : 218.48s CPU 220.98s WALL ( 261 calls) Called by sum_band: Called by *egterg: h_psi : 104.66s CPU 106.19s WALL ( 5310 calls) s_psi : 10.21s CPU 10.17s WALL ( 5310 calls) g_psi : 0.45s CPU 0.42s WALL ( 4795 calls) cdiaghg : 83.50s CPU 84.47s WALL ( 5049 calls) cegterg:over : 12.90s CPU 12.98s WALL ( 4795 calls) cegterg:upda : 10.97s CPU 11.13s WALL ( 4795 calls) cegterg:last : 5.32s CPU 5.32s WALL ( 769 calls) cdiaghg:chol : 4.98s CPU 4.97s WALL ( 5049 calls) cdiaghg:inve : 3.59s CPU 3.70s WALL ( 5049 calls) cdiaghg:para : 6.36s CPU 6.67s WALL ( 10098 calls) Called by h_psi: h_psi:vloc : 82.73s CPU 84.07s WALL ( 5310 calls) h_psi:vnl : 21.52s CPU 21.71s WALL ( 5310 calls) add_vuspsi : 11.39s CPU 11.39s WALL ( 5310 calls) General routines calbec : 10.12s CPU 10.30s WALL ( 5310 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 76.36s CPU 77.38s WALL ( 830168 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.39s WALL ( 508 calls) Parallel routines fft_scatter : 28.93s CPU 29.68s WALL ( 830191 calls) PWSCF : 4m20.20s CPU 4m33.54s WALL This run was terminated on: 14: 2:18 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=