Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:25:55 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: ./CdBiClO2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D 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 126 37 10 9537 1505 234 Max 127 38 11 9540 1531 239 Sum 4543 1339 393 343397 54739 8551 bravais-lattice index = 14 lattice parameter (alat) = 7.8229 a.u. unit-cell volume = 1258.5162 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 4 number of electrons = 92.00 number of Kohn-Sham states= 110 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.822899 celldm(2)= 1.463729 celldm(3)= 1.832935 celldm(4)= 0.199864 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 1.463729 0.000000 ) a(3) = ( 0.000000 0.366337 1.795953 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.683186 -0.139356 ) b(3) = ( 0.000000 0.000000 0.556807 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) O 6.00 15.99940 O( 1.00) Bi 15.00 208.98040 Bi( 1.00) Cl 7.00 35.45300 Cl( 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= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0000000 0.0126547), wk = 0.0038023 k( 3) = ( 0.0000000 0.0000000 0.0253094), wk = 0.0038023 k( 4) = ( 0.0000000 0.0000000 0.0379641), wk = 0.0038023 k( 5) = ( 0.0000000 0.0000000 0.0506189), wk = 0.0038023 k( 6) = ( 0.0000000 0.0000000 0.0632736), wk = 0.0038023 k( 7) = ( 0.0000000 0.0000000 0.0759283), wk = 0.0038023 k( 8) = ( 0.0000000 0.0000000 0.0885830), wk = 0.0038023 k( 9) = ( 0.0000000 0.0000000 0.1012377), wk = 0.0038023 k( 10) = ( 0.0000000 0.0000000 0.1138924), wk = 0.0038023 k( 11) = ( 0.0000000 0.0000000 0.1265472), wk = 0.0038023 k( 12) = ( 0.0000000 0.0000000 0.1392019), wk = 0.0038023 k( 13) = ( 0.0000000 0.0000000 0.1518566), wk = 0.0038023 k( 14) = ( 0.0000000 0.0000000 0.1645113), wk = 0.0038023 k( 15) = ( 0.0000000 0.0000000 0.1771660), wk = 0.0038023 k( 16) = ( 0.0000000 0.0000000 0.1898207), wk = 0.0038023 k( 17) = ( 0.0000000 0.0000000 0.2024754), wk = 0.0038023 k( 18) = ( 0.0000000 0.0000000 0.2151302), wk = 0.0038023 k( 19) = ( 0.0000000 0.0000000 0.2277849), wk = 0.0038023 k( 20) = ( 0.0000000 0.0000000 0.2404396), wk = 0.0038023 k( 21) = ( 0.0000000 0.0000000 0.2530943), wk = 0.0038023 k( 22) = ( 0.0000000 0.0000000 0.2657490), wk = 0.0038023 k( 23) = ( 0.0000000 0.0000000 0.2784037), wk = 0.0038023 k( 24) = ( 0.0000000 0.0000000 0.2784037), wk = 0.0038023 k( 25) = ( 0.0000000 0.0130008 0.2784037), wk = 0.0038023 k( 26) = ( 0.0000000 0.0260015 0.2784037), wk = 0.0038023 k( 27) = ( 0.0000000 0.0390023 0.2784037), wk = 0.0038023 k( 28) = ( 0.0000000 0.0520030 0.2784037), wk = 0.0038023 k( 29) = ( 0.0000000 0.0650038 0.2784037), wk = 0.0038023 k( 30) = ( 0.0000000 0.0780046 0.2784037), wk = 0.0038023 k( 31) = ( 0.0000000 0.0910053 0.2784037), wk = 0.0038023 k( 32) = ( 0.0000000 0.1040061 0.2784037), wk = 0.0038023 k( 33) = ( 0.0000000 0.1170068 0.2784037), wk = 0.0038023 k( 34) = ( 0.0000000 0.1300076 0.2784037), wk = 0.0038023 k( 35) = ( 0.0000000 0.1430084 0.2784037), wk = 0.0038023 k( 36) = ( 0.0000000 0.1560091 0.2784037), wk = 0.0038023 k( 37) = ( 0.0000000 0.1690099 0.2784037), wk = 0.0038023 k( 38) = ( 0.0000000 0.1820106 0.2784037), wk = 0.0038023 k( 39) = ( 0.0000000 0.1950114 0.2784037), wk = 0.0038023 k( 40) = ( 0.0000000 0.2080122 0.2784037), wk = 0.0038023 k( 41) = ( 0.0000000 0.2210129 0.2784037), wk = 0.0038023 k( 42) = ( 0.0000000 0.2340137 0.2784037), wk = 0.0038023 k( 43) = ( 0.0000000 0.2470144 0.2784037), wk = 0.0038023 k( 44) = ( 0.0000000 0.2600152 0.2784037), wk = 0.0038023 k( 45) = ( 0.0000000 0.2730159 0.2784037), wk = 0.0038023 k( 46) = ( 0.0000000 0.2860167 0.2784037), wk = 0.0038023 k( 47) = ( 0.0000000 0.2990175 0.2784037), wk = 0.0038023 k( 48) = ( 0.0000000 0.2990175 0.2784037), wk = 0.0038023 k( 49) = ( 0.0000000 0.3050997 0.2684497), wk = 0.0038023 k( 50) = ( 0.0000000 0.3111820 0.2584957), wk = 0.0038023 k( 51) = ( 0.0000000 0.3172642 0.2485417), wk = 0.0038023 k( 52) = ( 0.0000000 0.3233465 0.2385877), wk = 0.0038023 k( 53) = ( 0.0000000 0.3294287 0.2286337), wk = 0.0038023 k( 54) = ( 0.0000000 0.3355110 0.2186797), wk = 0.0038023 k( 55) = ( 0.0000000 0.3415932 0.2087257), wk = 0.0038023 k( 56) = ( 0.0000000 0.3415932 0.2087257), wk = 0.0038023 k( 57) = ( 0.0131579 0.3415932 0.2087257), wk = 0.0038023 k( 58) = ( 0.0263158 0.3415932 0.2087257), wk = 0.0038023 k( 59) = ( 0.0394737 0.3415932 0.2087257), wk = 0.0038023 k( 60) = ( 0.0526316 0.3415932 0.2087257), wk = 0.0038023 k( 61) = ( 0.0657895 0.3415932 0.2087257), wk = 0.0038023 k( 62) = ( 0.0789474 0.3415932 0.2087257), wk = 0.0038023 k( 63) = ( 0.0921053 0.3415932 0.2087257), wk = 0.0038023 k( 64) = ( 0.1052632 0.3415932 0.2087257), wk = 0.0038023 k( 65) = ( 0.1184210 0.3415932 0.2087257), wk = 0.0038023 k( 66) = ( 0.1315790 0.3415932 0.2087257), wk = 0.0038023 k( 67) = ( 0.1447368 0.3415932 0.2087257), wk = 0.0038023 k( 68) = ( 0.1578947 0.3415932 0.2087257), wk = 0.0038023 k( 69) = ( 0.1710526 0.3415932 0.2087257), wk = 0.0038023 k( 70) = ( 0.1842105 0.3415932 0.2087257), wk = 0.0038023 k( 71) = ( 0.1973684 0.3415932 0.2087257), wk = 0.0038023 k( 72) = ( 0.2105263 0.3415932 0.2087257), wk = 0.0038023 k( 73) = ( 0.2236842 0.3415932 0.2087257), wk = 0.0038023 k( 74) = ( 0.2368421 0.3415932 0.2087257), wk = 0.0038023 k( 75) = ( 0.2500000 0.3415932 0.2087257), wk = 0.0038023 k( 76) = ( 0.2631579 0.3415932 0.2087257), wk = 0.0038023 k( 77) = ( 0.2763158 0.3415932 0.2087257), wk = 0.0038023 k( 78) = ( 0.2894737 0.3415932 0.2087257), wk = 0.0038023 k( 79) = ( 0.3026316 0.3415932 0.2087257), wk = 0.0038023 k( 80) = ( 0.3157895 0.3415932 0.2087257), wk = 0.0038023 k( 81) = ( 0.3289474 0.3415932 0.2087257), wk = 0.0038023 k( 82) = ( 0.3421053 0.3415932 0.2087257), wk = 0.0038023 k( 83) = ( 0.3552632 0.3415932 0.2087257), wk = 0.0038023 k( 84) = ( 0.3684211 0.3415932 0.2087257), wk = 0.0038023 k( 85) = ( 0.3815789 0.3415932 0.2087257), wk = 0.0038023 k( 86) = ( 0.3947368 0.3415932 0.2087257), wk = 0.0038023 k( 87) = ( 0.4078947 0.3415932 0.2087257), wk = 0.0038023 k( 88) = ( 0.4210526 0.3415932 0.2087257), wk = 0.0038023 k( 89) = ( 0.4342105 0.3415932 0.2087257), wk = 0.0038023 k( 90) = ( 0.4473684 0.3415932 0.2087257), wk = 0.0038023 k( 91) = ( 0.4605263 0.3415932 0.2087257), wk = 0.0038023 k( 92) = ( 0.4736842 0.3415932 0.2087257), wk = 0.0038023 k( 93) = ( 0.4868421 0.3415932 0.2087257), wk = 0.0038023 k( 94) = ( 0.5000000 0.3415932 0.2087257), wk = 0.0038023 k( 95) = ( 0.5000000 0.3415932 0.2087257), wk = 0.0038023 k( 96) = ( 0.5000000 0.3476755 0.1987717), wk = 0.0038023 k( 97) = ( 0.5000000 0.3537577 0.1888177), wk = 0.0038023 k( 98) = ( 0.5000000 0.3598400 0.1788637), wk = 0.0038023 k( 99) = ( 0.5000000 0.3659222 0.1689097), wk = 0.0038023 k( 100) = ( 0.5000000 0.3720045 0.1589557), wk = 0.0038023 k( 101) = ( 0.5000000 0.3780867 0.1490017), wk = 0.0038023 k( 102) = ( 0.5000000 0.3841690 0.1390477), wk = 0.0038023 k( 103) = ( 0.5000000 0.3841690 0.1390477), wk = 0.0038023 k( 104) = ( 0.5000000 0.3816645 0.1267698), wk = 0.0038023 k( 105) = ( 0.5000000 0.3791601 0.1144918), wk = 0.0038023 k( 106) = ( 0.5000000 0.3766556 0.1022138), wk = 0.0038023 k( 107) = ( 0.5000000 0.3741512 0.0899358), wk = 0.0038023 k( 108) = ( 0.5000000 0.3716467 0.0776578), wk = 0.0038023 k( 109) = ( 0.5000000 0.3691422 0.0653798), wk = 0.0038023 k( 110) = ( 0.5000000 0.3666378 0.0531019), wk = 0.0038023 k( 111) = ( 0.5000000 0.3641333 0.0408239), wk = 0.0038023 k( 112) = ( 0.5000000 0.3616289 0.0285459), wk = 0.0038023 k( 113) = ( 0.5000000 0.3591244 0.0162679), wk = 0.0038023 k( 114) = ( 0.5000000 0.3566200 0.0039899), wk = 0.0038023 k( 115) = ( 0.5000000 0.3541155 -0.0082881), wk = 0.0038023 k( 116) = ( 0.5000000 0.3516111 -0.0205661), wk = 0.0038023 k( 117) = ( 0.5000000 0.3491066 -0.0328440), wk = 0.0038023 k( 118) = ( 0.5000000 0.3466021 -0.0451220), wk = 0.0038023 k( 119) = ( 0.5000000 0.3440977 -0.0574000), wk = 0.0038023 k( 120) = ( 0.5000000 0.3415932 -0.0696780), wk = 0.0038023 k( 121) = ( 0.5000000 0.3415932 -0.0696780), wk = 0.0038023 k( 122) = ( 0.4868421 0.3415932 -0.0696780), wk = 0.0038023 k( 123) = ( 0.4736842 0.3415932 -0.0696780), wk = 0.0038023 k( 124) = ( 0.4605263 0.3415932 -0.0696780), wk = 0.0038023 k( 125) = ( 0.4473684 0.3415932 -0.0696780), wk = 0.0038023 k( 126) = ( 0.4342105 0.3415932 -0.0696780), wk = 0.0038023 k( 127) = ( 0.4210526 0.3415932 -0.0696780), wk = 0.0038023 k( 128) = ( 0.4078947 0.3415932 -0.0696780), wk = 0.0038023 k( 129) = ( 0.3947368 0.3415932 -0.0696780), wk = 0.0038023 k( 130) = ( 0.3815789 0.3415932 -0.0696780), wk = 0.0038023 k( 131) = ( 0.3684211 0.3415932 -0.0696780), wk = 0.0038023 k( 132) = ( 0.3552632 0.3415932 -0.0696780), wk = 0.0038023 k( 133) = ( 0.3421053 0.3415932 -0.0696780), wk = 0.0038023 k( 134) = ( 0.3289474 0.3415932 -0.0696780), wk = 0.0038023 k( 135) = ( 0.3157895 0.3415932 -0.0696780), wk = 0.0038023 k( 136) = ( 0.3026316 0.3415932 -0.0696780), wk = 0.0038023 k( 137) = ( 0.2894737 0.3415932 -0.0696780), wk = 0.0038023 k( 138) = ( 0.2763158 0.3415932 -0.0696780), wk = 0.0038023 k( 139) = ( 0.2631579 0.3415932 -0.0696780), wk = 0.0038023 k( 140) = ( 0.2500000 0.3415932 -0.0696780), wk = 0.0038023 k( 141) = ( 0.2368421 0.3415932 -0.0696780), wk = 0.0038023 k( 142) = ( 0.2236842 0.3415932 -0.0696780), wk = 0.0038023 k( 143) = ( 0.2105263 0.3415932 -0.0696780), wk = 0.0038023 k( 144) = ( 0.1973684 0.3415932 -0.0696780), wk = 0.0038023 k( 145) = ( 0.1842105 0.3415932 -0.0696780), wk = 0.0038023 k( 146) = ( 0.1710526 0.3415932 -0.0696780), wk = 0.0038023 k( 147) = ( 0.1578947 0.3415932 -0.0696780), wk = 0.0038023 k( 148) = ( 0.1447368 0.3415932 -0.0696780), wk = 0.0038023 k( 149) = ( 0.1315790 0.3415932 -0.0696780), wk = 0.0038023 k( 150) = ( 0.1184210 0.3415932 -0.0696780), wk = 0.0038023 k( 151) = ( 0.1052632 0.3415932 -0.0696780), wk = 0.0038023 k( 152) = ( 0.0921053 0.3415932 -0.0696780), wk = 0.0038023 k( 153) = ( 0.0789474 0.3415932 -0.0696780), wk = 0.0038023 k( 154) = ( 0.0657895 0.3415932 -0.0696780), wk = 0.0038023 k( 155) = ( 0.0526316 0.3415932 -0.0696780), wk = 0.0038023 k( 156) = ( 0.0394737 0.3415932 -0.0696780), wk = 0.0038023 k( 157) = ( 0.0263158 0.3415932 -0.0696780), wk = 0.0038023 k( 158) = ( 0.0131579 0.3415932 -0.0696780), wk = 0.0038023 k( 159) = ( 0.0000000 0.3415932 -0.0696780), wk = 0.0038023 k( 160) = ( 0.0000000 0.3415932 -0.0696780), wk = 0.0038023 k( 161) = ( 0.0000000 0.3440977 -0.0574000), wk = 0.0038023 k( 162) = ( 0.0000000 0.3466021 -0.0451220), wk = 0.0038023 k( 163) = ( 0.0000000 0.3491066 -0.0328440), wk = 0.0038023 k( 164) = ( 0.0000000 0.3516111 -0.0205661), wk = 0.0038023 k( 165) = ( 0.0000000 0.3541155 -0.0082881), wk = 0.0038023 k( 166) = ( 0.0000000 0.3566200 0.0039899), wk = 0.0038023 k( 167) = ( 0.0000000 0.3591244 0.0162679), wk = 0.0038023 k( 168) = ( 0.0000000 0.3616289 0.0285459), wk = 0.0038023 k( 169) = ( 0.0000000 0.3641333 0.0408239), wk = 0.0038023 k( 170) = ( 0.0000000 0.3666378 0.0531019), wk = 0.0038023 k( 171) = ( 0.0000000 0.3691422 0.0653798), wk = 0.0038023 k( 172) = ( 0.0000000 0.3716467 0.0776578), wk = 0.0038023 k( 173) = ( 0.0000000 0.3741512 0.0899358), wk = 0.0038023 k( 174) = ( 0.0000000 0.3766556 0.1022138), wk = 0.0038023 k( 175) = ( 0.0000000 0.3791601 0.1144918), wk = 0.0038023 k( 176) = ( 0.0000000 0.3816645 0.1267698), wk = 0.0038023 k( 177) = ( 0.0000000 0.3841690 0.1390477), wk = 0.0038023 k( 178) = ( 0.5000000 0.2990175 0.2784037), wk = 0.0038023 k( 179) = ( 0.5000000 0.2860167 0.2784037), wk = 0.0038023 k( 180) = ( 0.5000000 0.2730159 0.2784037), wk = 0.0038023 k( 181) = ( 0.5000000 0.2600152 0.2784037), wk = 0.0038023 k( 182) = ( 0.5000000 0.2470144 0.2784037), wk = 0.0038023 k( 183) = ( 0.5000000 0.2340137 0.2784037), wk = 0.0038023 k( 184) = ( 0.5000000 0.2210129 0.2784037), wk = 0.0038023 k( 185) = ( 0.5000000 0.2080122 0.2784037), wk = 0.0038023 k( 186) = ( 0.5000000 0.1950114 0.2784037), wk = 0.0038023 k( 187) = ( 0.5000000 0.1820106 0.2784037), wk = 0.0038023 k( 188) = ( 0.5000000 0.1690099 0.2784037), wk = 0.0038023 k( 189) = ( 0.5000000 0.1560091 0.2784037), wk = 0.0038023 k( 190) = ( 0.5000000 0.1430084 0.2784037), wk = 0.0038023 k( 191) = ( 0.5000000 0.1300076 0.2784037), wk = 0.0038023 k( 192) = ( 0.5000000 0.1170068 0.2784037), wk = 0.0038023 k( 193) = ( 0.5000000 0.1040061 0.2784037), wk = 0.0038023 k( 194) = ( 0.5000000 0.0910053 0.2784037), wk = 0.0038023 k( 195) = ( 0.5000000 0.0780046 0.2784037), wk = 0.0038023 k( 196) = ( 0.5000000 0.0650038 0.2784037), wk = 0.0038023 k( 197) = ( 0.5000000 0.0520030 0.2784037), wk = 0.0038023 k( 198) = ( 0.5000000 0.0390023 0.2784037), wk = 0.0038023 k( 199) = ( 0.5000000 0.0260015 0.2784037), wk = 0.0038023 k( 200) = ( 0.5000000 0.0130008 0.2784037), wk = 0.0038023 k( 201) = ( 0.5000000 -0.0000000 0.2784037), wk = 0.0038023 k( 202) = ( 0.5000000 -0.0000000 0.2784037), wk = 0.0038023 k( 203) = ( 0.5000000 -0.0000000 0.2657490), wk = 0.0038023 k( 204) = ( 0.5000000 -0.0000000 0.2530943), wk = 0.0038023 k( 205) = ( 0.5000000 -0.0000000 0.2404396), wk = 0.0038023 k( 206) = ( 0.5000000 -0.0000000 0.2277849), wk = 0.0038023 k( 207) = ( 0.5000000 -0.0000000 0.2151302), wk = 0.0038023 k( 208) = ( 0.5000000 -0.0000000 0.2024754), wk = 0.0038023 k( 209) = ( 0.5000000 -0.0000000 0.1898207), wk = 0.0038023 k( 210) = ( 0.5000000 -0.0000000 0.1771660), wk = 0.0038023 k( 211) = ( 0.5000000 -0.0000000 0.1645113), wk = 0.0038023 k( 212) = ( 0.5000000 -0.0000000 0.1518566), wk = 0.0038023 k( 213) = ( 0.5000000 -0.0000000 0.1392019), wk = 0.0038023 k( 214) = ( 0.5000000 -0.0000000 0.1265472), wk = 0.0038023 k( 215) = ( 0.5000000 -0.0000000 0.1138924), wk = 0.0038023 k( 216) = ( 0.5000000 -0.0000000 0.1012377), wk = 0.0038023 k( 217) = ( 0.5000000 -0.0000000 0.0885830), wk = 0.0038023 k( 218) = ( 0.5000000 -0.0000000 0.0759283), wk = 0.0038023 k( 219) = ( 0.5000000 -0.0000000 0.0632736), wk = 0.0038023 k( 220) = ( 0.5000000 -0.0000000 0.0506189), wk = 0.0038023 k( 221) = ( 0.5000000 -0.0000000 0.0379641), wk = 0.0038023 k( 222) = ( 0.5000000 -0.0000000 0.0253094), wk = 0.0038023 k( 223) = ( 0.5000000 -0.0000000 0.0126547), wk = 0.0038023 k( 224) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038023 k( 225) = ( 0.0000000 0.0000000 0.2784037), wk = 0.0038023 k( 226) = ( 0.0131579 -0.0000000 0.2784037), wk = 0.0038023 k( 227) = ( 0.0263158 -0.0000000 0.2784037), wk = 0.0038023 k( 228) = ( 0.0394737 -0.0000000 0.2784037), wk = 0.0038023 k( 229) = ( 0.0526316 -0.0000000 0.2784037), wk = 0.0038023 k( 230) = ( 0.0657895 -0.0000000 0.2784037), wk = 0.0038023 k( 231) = ( 0.0789474 -0.0000000 0.2784037), wk = 0.0038023 k( 232) = ( 0.0921053 -0.0000000 0.2784037), wk = 0.0038023 k( 233) = ( 0.1052632 -0.0000000 0.2784037), wk = 0.0038023 k( 234) = ( 0.1184210 -0.0000000 0.2784037), wk = 0.0038023 k( 235) = ( 0.1315790 -0.0000000 0.2784037), wk = 0.0038023 k( 236) = ( 0.1447368 -0.0000000 0.2784037), wk = 0.0038023 k( 237) = ( 0.1578947 -0.0000000 0.2784037), wk = 0.0038023 k( 238) = ( 0.1710526 -0.0000000 0.2784037), wk = 0.0038023 k( 239) = ( 0.1842105 -0.0000000 0.2784037), wk = 0.0038023 k( 240) = ( 0.1973684 -0.0000000 0.2784037), wk = 0.0038023 k( 241) = ( 0.2105263 -0.0000000 0.2784037), wk = 0.0038023 k( 242) = ( 0.2236842 -0.0000000 0.2784037), wk = 0.0038023 k( 243) = ( 0.2368421 -0.0000000 0.2784037), wk = 0.0038023 k( 244) = ( 0.2500000 -0.0000000 0.2784037), wk = 0.0038023 k( 245) = ( 0.2631579 -0.0000000 0.2784037), wk = 0.0038023 k( 246) = ( 0.2763158 -0.0000000 0.2784037), wk = 0.0038023 k( 247) = ( 0.2894737 -0.0000000 0.2784037), wk = 0.0038023 k( 248) = ( 0.3026316 -0.0000000 0.2784037), wk = 0.0038023 k( 249) = ( 0.3157895 -0.0000000 0.2784037), wk = 0.0038023 k( 250) = ( 0.3289474 -0.0000000 0.2784037), wk = 0.0038023 k( 251) = ( 0.3421053 -0.0000000 0.2784037), wk = 0.0038023 k( 252) = ( 0.3552632 -0.0000000 0.2784037), wk = 0.0038023 k( 253) = ( 0.3684211 -0.0000000 0.2784037), wk = 0.0038023 k( 254) = ( 0.3815789 -0.0000000 0.2784037), wk = 0.0038023 k( 255) = ( 0.3947368 -0.0000000 0.2784037), wk = 0.0038023 k( 256) = ( 0.4078947 -0.0000000 0.2784037), wk = 0.0038023 k( 257) = ( 0.4210526 -0.0000000 0.2784037), wk = 0.0038023 k( 258) = ( 0.4342105 -0.0000000 0.2784037), wk = 0.0038023 k( 259) = ( 0.4473684 -0.0000000 0.2784037), wk = 0.0038023 k( 260) = ( 0.4605263 -0.0000000 0.2784037), wk = 0.0038023 k( 261) = ( 0.4736842 -0.0000000 0.2784037), wk = 0.0038023 k( 262) = ( 0.4868421 -0.0000000 0.2784037), wk = 0.0038023 k( 263) = ( 0.5000000 -0.0000000 0.2784037), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0038023 k( 3) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0038023 k( 4) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0038023 k( 5) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0038023 k( 6) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0038023 k( 7) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0038023 k( 8) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0038023 k( 9) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0038023 k( 10) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0038023 k( 11) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0038023 k( 12) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038023 k( 13) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0038023 k( 14) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0038023 k( 15) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0038023 k( 16) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0038023 k( 17) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0038023 k( 18) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0038023 k( 19) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0038023 k( 20) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0038023 k( 21) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0038023 k( 22) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0038023 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 25) = ( 0.0000000 0.0190296 0.5047627), wk = 0.0038023 k( 26) = ( 0.0000000 0.0380592 0.5095253), wk = 0.0038023 k( 27) = ( 0.0000000 0.0570888 0.5142880), wk = 0.0038023 k( 28) = ( 0.0000000 0.0761184 0.5190507), wk = 0.0038023 k( 29) = ( 0.0000000 0.0951480 0.5238133), wk = 0.0038023 k( 30) = ( 0.0000000 0.1141776 0.5285760), wk = 0.0038023 k( 31) = ( 0.0000000 0.1332071 0.5333387), wk = 0.0038023 k( 32) = ( 0.0000000 0.1522367 0.5381013), wk = 0.0038023 k( 33) = ( 0.0000000 0.1712663 0.5428640), wk = 0.0038023 k( 34) = ( 0.0000000 0.1902959 0.5476266), wk = 0.0038023 k( 35) = ( 0.0000000 0.2093255 0.5523893), wk = 0.0038023 k( 36) = ( 0.0000000 0.2283551 0.5571520), wk = 0.0038023 k( 37) = ( 0.0000000 0.2473847 0.5619146), wk = 0.0038023 k( 38) = ( 0.0000000 0.2664143 0.5666773), wk = 0.0038023 k( 39) = ( 0.0000000 0.2854439 0.5714400), wk = 0.0038023 k( 40) = ( 0.0000000 0.3044735 0.5762027), wk = 0.0038023 k( 41) = ( 0.0000000 0.3235031 0.5809653), wk = 0.0038023 k( 42) = ( 0.0000000 0.3425326 0.5857280), wk = 0.0038023 k( 43) = ( 0.0000000 0.3615622 0.5904906), wk = 0.0038023 k( 44) = ( 0.0000000 0.3805918 0.5952533), wk = 0.0038023 k( 45) = ( 0.0000000 0.3996214 0.6000160), wk = 0.0038023 k( 46) = ( 0.0000000 0.4186510 0.6047786), wk = 0.0038023 k( 47) = ( 0.0000000 0.4376806 0.6095413), wk = 0.0038023 k( 48) = ( 0.0000000 0.4376806 0.6095413), wk = 0.0038023 k( 49) = ( 0.0000000 0.4465834 0.5938925), wk = 0.0038023 k( 50) = ( 0.0000000 0.4554861 0.5782438), wk = 0.0038023 k( 51) = ( 0.0000000 0.4643889 0.5625950), wk = 0.0038023 k( 52) = ( 0.0000000 0.4732917 0.5469463), wk = 0.0038023 k( 53) = ( 0.0000000 0.4821945 0.5312975), wk = 0.0038023 k( 54) = ( 0.0000000 0.4910972 0.5156488), wk = 0.0038023 k( 55) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038023 k( 56) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038023 k( 57) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0038023 k( 58) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0038023 k( 59) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0038023 k( 60) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0038023 k( 61) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0038023 k( 62) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0038023 k( 63) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0038023 k( 64) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0038023 k( 65) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0038023 k( 66) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0038023 k( 67) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0038023 k( 68) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0038023 k( 69) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0038023 k( 70) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0038023 k( 71) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0038023 k( 72) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0038023 k( 73) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0038023 k( 74) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0038023 k( 75) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0038023 k( 76) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0038023 k( 77) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0038023 k( 78) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0038023 k( 79) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0038023 k( 80) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0038023 k( 81) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0038023 k( 82) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0038023 k( 83) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0038023 k( 84) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0038023 k( 85) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0038023 k( 86) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0038023 k( 87) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0038023 k( 88) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0038023 k( 89) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0038023 k( 90) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0038023 k( 91) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0038023 k( 92) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0038023 k( 93) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0038023 k( 94) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 96) = ( 0.5000000 0.5089028 0.4843512), wk = 0.0038023 k( 97) = ( 0.5000000 0.5178055 0.4687025), wk = 0.0038023 k( 98) = ( 0.5000000 0.5267083 0.4530537), wk = 0.0038023 k( 99) = ( 0.5000000 0.5356111 0.4374050), wk = 0.0038023 k( 100) = ( 0.5000000 0.5445138 0.4217562), wk = 0.0038023 k( 101) = ( 0.5000000 0.5534166 0.4061074), wk = 0.0038023 k( 102) = ( 0.5000000 0.5623194 0.3904587), wk = 0.0038023 k( 103) = ( 0.5000000 0.5623194 0.3904587), wk = 0.0038023 k( 104) = ( 0.5000000 0.5586535 0.3674905), wk = 0.0038023 k( 105) = ( 0.5000000 0.5549877 0.3445224), wk = 0.0038023 k( 106) = ( 0.5000000 0.5513219 0.3215542), wk = 0.0038023 k( 107) = ( 0.5000000 0.5476560 0.2985861), wk = 0.0038023 k( 108) = ( 0.5000000 0.5439902 0.2756179), wk = 0.0038023 k( 109) = ( 0.5000000 0.5403243 0.2526498), wk = 0.0038023 k( 110) = ( 0.5000000 0.5366585 0.2296816), wk = 0.0038023 k( 111) = ( 0.5000000 0.5329926 0.2067134), wk = 0.0038023 k( 112) = ( 0.5000000 0.5293268 0.1837453), wk = 0.0038023 k( 113) = ( 0.5000000 0.5256609 0.1607771), wk = 0.0038023 k( 114) = ( 0.5000000 0.5219951 0.1378090), wk = 0.0038023 k( 115) = ( 0.5000000 0.5183292 0.1148408), wk = 0.0038023 k( 116) = ( 0.5000000 0.5146634 0.0918726), wk = 0.0038023 k( 117) = ( 0.5000000 0.5109975 0.0689045), wk = 0.0038023 k( 118) = ( 0.5000000 0.5073317 0.0459363), wk = 0.0038023 k( 119) = ( 0.5000000 0.5036658 0.0229682), wk = 0.0038023 k( 120) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 121) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0038023 k( 122) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0038023 k( 123) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0038023 k( 124) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0038023 k( 125) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0038023 k( 126) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0038023 k( 127) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0038023 k( 128) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0038023 k( 129) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0038023 k( 130) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0038023 k( 131) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0038023 k( 132) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0038023 k( 133) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0038023 k( 134) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0038023 k( 135) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0038023 k( 136) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0038023 k( 137) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0038023 k( 138) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0038023 k( 139) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0038023 k( 140) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0038023 k( 141) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0038023 k( 142) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0038023 k( 143) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0038023 k( 144) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0038023 k( 145) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0038023 k( 146) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0038023 k( 147) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0038023 k( 148) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0038023 k( 149) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0038023 k( 150) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0038023 k( 151) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0038023 k( 152) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0038023 k( 153) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0038023 k( 154) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0038023 k( 155) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0038023 k( 156) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0038023 k( 157) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0038023 k( 158) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0038023 k( 159) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 160) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038023 k( 161) = ( 0.0000000 0.5036658 0.0229682), wk = 0.0038023 k( 162) = ( 0.0000000 0.5073317 0.0459363), wk = 0.0038023 k( 163) = ( 0.0000000 0.5109975 0.0689045), wk = 0.0038023 k( 164) = ( 0.0000000 0.5146634 0.0918726), wk = 0.0038023 k( 165) = ( 0.0000000 0.5183292 0.1148408), wk = 0.0038023 k( 166) = ( 0.0000000 0.5219951 0.1378090), wk = 0.0038023 k( 167) = ( 0.0000000 0.5256609 0.1607771), wk = 0.0038023 k( 168) = ( 0.0000000 0.5293268 0.1837453), wk = 0.0038023 k( 169) = ( 0.0000000 0.5329926 0.2067134), wk = 0.0038023 k( 170) = ( 0.0000000 0.5366585 0.2296816), wk = 0.0038023 k( 171) = ( 0.0000000 0.5403243 0.2526498), wk = 0.0038023 k( 172) = ( 0.0000000 0.5439902 0.2756179), wk = 0.0038023 k( 173) = ( 0.0000000 0.5476560 0.2985861), wk = 0.0038023 k( 174) = ( 0.0000000 0.5513219 0.3215542), wk = 0.0038023 k( 175) = ( 0.0000000 0.5549877 0.3445224), wk = 0.0038023 k( 176) = ( 0.0000000 0.5586535 0.3674905), wk = 0.0038023 k( 177) = ( 0.0000000 0.5623194 0.3904587), wk = 0.0038023 k( 178) = ( 0.5000000 0.4376806 0.6095413), wk = 0.0038023 k( 179) = ( 0.5000000 0.4186510 0.6047786), wk = 0.0038023 k( 180) = ( 0.5000000 0.3996214 0.6000160), wk = 0.0038023 k( 181) = ( 0.5000000 0.3805918 0.5952533), wk = 0.0038023 k( 182) = ( 0.5000000 0.3615622 0.5904906), wk = 0.0038023 k( 183) = ( 0.5000000 0.3425326 0.5857280), wk = 0.0038023 k( 184) = ( 0.5000000 0.3235031 0.5809653), wk = 0.0038023 k( 185) = ( 0.5000000 0.3044735 0.5762027), wk = 0.0038023 k( 186) = ( 0.5000000 0.2854439 0.5714400), wk = 0.0038023 k( 187) = ( 0.5000000 0.2664143 0.5666773), wk = 0.0038023 k( 188) = ( 0.5000000 0.2473847 0.5619146), wk = 0.0038023 k( 189) = ( 0.5000000 0.2283551 0.5571520), wk = 0.0038023 k( 190) = ( 0.5000000 0.2093255 0.5523893), wk = 0.0038023 k( 191) = ( 0.5000000 0.1902959 0.5476266), wk = 0.0038023 k( 192) = ( 0.5000000 0.1712663 0.5428640), wk = 0.0038023 k( 193) = ( 0.5000000 0.1522367 0.5381013), wk = 0.0038023 k( 194) = ( 0.5000000 0.1332071 0.5333387), wk = 0.0038023 k( 195) = ( 0.5000000 0.1141775 0.5285760), wk = 0.0038023 k( 196) = ( 0.5000000 0.0951480 0.5238133), wk = 0.0038023 k( 197) = ( 0.5000000 0.0761184 0.5190507), wk = 0.0038023 k( 198) = ( 0.5000000 0.0570888 0.5142880), wk = 0.0038023 k( 199) = ( 0.5000000 0.0380592 0.5095253), wk = 0.0038023 k( 200) = ( 0.5000000 0.0190296 0.5047627), wk = 0.0038023 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 k( 203) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0038023 k( 204) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0038023 k( 205) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0038023 k( 206) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0038023 k( 207) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0038023 k( 208) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0038023 k( 209) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0038023 k( 210) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0038023 k( 211) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0038023 k( 212) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0038023 k( 213) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0038023 k( 214) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0038023 k( 215) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0038023 k( 216) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0038023 k( 217) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0038023 k( 218) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0038023 k( 219) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0038023 k( 220) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0038023 k( 221) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0038023 k( 222) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0038023 k( 223) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0038023 k( 224) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038023 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038023 k( 226) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0038023 k( 227) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0038023 k( 228) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0038023 k( 229) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0038023 k( 230) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0038023 k( 231) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0038023 k( 232) = ( 0.0921053 0.0000000 0.5000000), wk = 0.0038023 k( 233) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0038023 k( 234) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0038023 k( 235) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0038023 k( 236) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0038023 k( 237) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0038023 k( 238) = ( 0.1710526 -0.0000000 0.5000000), wk = 0.0038023 k( 239) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0038023 k( 240) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0038023 k( 241) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0038023 k( 242) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0038023 k( 243) = ( 0.2368421 0.0000000 0.5000000), wk = 0.0038023 k( 244) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0038023 k( 245) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0038023 k( 246) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0038023 k( 247) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0038023 k( 248) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0038023 k( 249) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0038023 k( 250) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0038023 k( 251) = ( 0.3421053 -0.0000000 0.5000000), wk = 0.0038023 k( 252) = ( 0.3552632 0.0000000 0.5000000), wk = 0.0038023 k( 253) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0038023 k( 254) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0038023 k( 255) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0038023 k( 256) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0038023 k( 257) = ( 0.4210526 0.0000000 0.5000000), wk = 0.0038023 k( 258) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0038023 k( 259) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0038023 k( 260) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0038023 k( 261) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0038023 k( 262) = ( 0.4868421 0.0000000 0.5000000), wk = 0.0038023 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038023 Dense grid: 343397 G-vectors FFT dimensions: ( 64, 96, 120) Smooth grid: 54739 G-vectors FFT dimensions: ( 36, 50, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.65 Mb ( 390, 110) NL pseudopotentials 0.77 Mb ( 195, 260) Each V/rho on FFT grid 0.38 Mb ( 24576) Each G-vector array 0.07 Mb ( 9538) G-vector shells 0.07 Mb ( 9223) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.62 Mb ( 390, 440) Each subspace H/S matrix 0.18 Mb ( 110, 110) Each matrix 0.87 Mb ( 260, 2, 110) The potential is recalculated from file : ./CdBiClO2.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 7.7 secs Computing kpt #: 3 total cpu time spent up to now is 9.4 secs Computing kpt #: 4 total cpu time spent up to now is 11.0 secs Computing kpt #: 5 total cpu time spent up to now is 12.6 secs Computing kpt #: 6 total cpu time spent up to now is 14.2 secs Computing kpt #: 7 total cpu time spent up to now is 15.9 secs Computing kpt #: 8 total cpu time spent up to now is 17.5 secs Computing kpt #: 9 total cpu time spent up to now is 19.1 secs Computing kpt #: 10 total cpu time spent up to now is 20.7 secs Computing kpt #: 11 total cpu time spent up to now is 22.3 secs Computing kpt #: 12 total cpu time spent up to now is 24.0 secs Computing kpt #: 13 total cpu time spent up to now is 25.6 secs Computing kpt #: 14 total cpu time spent up to now is 27.2 secs Computing kpt #: 15 total cpu time spent up to now is 28.8 secs Computing kpt #: 16 total cpu time spent up to now is 30.5 secs Computing kpt #: 17 total cpu time spent up to now is 32.1 secs Computing kpt #: 18 total cpu time spent up to now is 33.8 secs Computing kpt #: 19 total cpu time spent up to now is 35.5 secs Computing kpt #: 20 total cpu time spent up to now is 37.2 secs Computing kpt #: 21 total cpu time spent up to now is 38.8 secs Computing kpt #: 22 total cpu time spent up to now is 40.5 secs Computing kpt #: 23 total cpu time spent up to now is 42.2 secs Computing kpt #: 24 total cpu time spent up to now is 43.8 secs Computing kpt #: 25 total cpu time spent up to now is 45.4 secs Computing kpt #: 26 total cpu time spent up to now is 47.0 secs Computing kpt #: 27 total cpu time spent up to now is 48.6 secs Computing kpt #: 28 total cpu time spent up to now is 50.3 secs Computing kpt #: 29 total cpu time spent up to now is 51.9 secs Computing kpt #: 30 total cpu time spent up to now is 53.6 secs Computing kpt #: 31 total cpu time spent up to now is 55.2 secs Computing kpt #: 32 total cpu time spent up to now is 56.8 secs Computing kpt #: 33 total cpu time spent up to now is 58.5 secs Computing kpt #: 34 total cpu time spent up to now is 60.2 secs Computing kpt #: 35 total cpu time spent up to now is 62.0 secs Computing kpt #: 36 total cpu time spent up to now is 63.7 secs Computing kpt #: 37 total cpu time spent up to now is 65.4 secs Computing kpt #: 38 total cpu time spent up to now is 67.1 secs Computing kpt #: 39 total cpu time spent up to now is 68.8 secs Computing kpt #: 40 total cpu time spent up to now is 70.5 secs Computing kpt #: 41 total cpu time spent up to now is 72.3 secs Computing kpt #: 42 total cpu time spent up to now is 74.0 secs Computing kpt #: 43 total cpu time spent up to now is 75.8 secs Computing kpt #: 44 total cpu time spent up to now is 77.5 secs Computing kpt #: 45 total cpu time spent up to now is 79.3 secs Computing kpt #: 46 total cpu time spent up to now is 81.1 secs Computing kpt #: 47 total cpu time spent up to now is 82.9 secs Computing kpt #: 48 total cpu time spent up to now is 84.8 secs Computing kpt #: 49 total cpu time spent up to now is 86.6 secs Computing kpt #: 50 total cpu time spent up to now is 88.5 secs Computing kpt #: 51 total cpu time spent up to now is 90.5 secs Computing kpt #: 52 total cpu time spent up to now is 92.8 secs Computing kpt #: 53 total cpu time spent up to now is 94.7 secs Computing kpt #: 54 total cpu time spent up to now is 96.5 secs Computing kpt #: 55 total cpu time spent up to now is 98.4 secs Computing kpt #: 56 total cpu time spent up to now is 100.5 secs Computing kpt #: 57 total cpu time spent up to now is 102.6 secs Computing kpt #: 58 total cpu time spent up to now is 104.5 secs Computing kpt #: 59 total cpu time spent up to now is 106.4 secs Computing kpt #: 60 total cpu time spent up to now is 108.3 secs Computing kpt #: 61 total cpu time spent up to now is 110.2 secs Computing kpt #: 62 total cpu time spent up to now is 112.1 secs Computing kpt #: 63 total cpu time spent up to now is 114.0 secs Computing kpt #: 64 total cpu time spent up to now is 115.9 secs Computing kpt #: 65 total cpu time spent up to now is 117.8 secs Computing kpt #: 66 total cpu time spent up to now is 119.9 secs Computing kpt #: 67 total cpu time spent up to now is 122.0 secs Computing kpt #: 68 total cpu time spent up to now is 124.1 secs Computing kpt #: 69 total cpu time spent up to now is 126.2 secs Computing kpt #: 70 total cpu time spent up to now is 128.2 secs Computing kpt #: 71 total cpu time spent up to now is 130.1 secs Computing kpt #: 72 total cpu time spent up to now is 131.9 secs Computing kpt #: 73 total cpu time spent up to now is 133.7 secs Computing kpt #: 74 total cpu time spent up to now is 135.5 secs Computing kpt #: 75 total cpu time spent up to now is 137.3 secs Computing kpt #: 76 total cpu time spent up to now is 139.1 secs Computing kpt #: 77 total cpu time spent up to now is 140.8 secs Computing kpt #: 78 total cpu time spent up to now is 142.5 secs Computing kpt #: 79 total cpu time spent up to now is 144.3 secs Computing kpt #: 80 total cpu time spent up to now is 146.1 secs Computing kpt #: 81 total cpu time spent up to now is 147.8 secs Computing kpt #: 82 total cpu time spent up to now is 149.5 secs Computing kpt #: 83 total cpu time spent up to now is 151.3 secs Computing kpt #: 84 total cpu time spent up to now is 152.9 secs Computing kpt #: 85 total cpu time spent up to now is 154.7 secs Computing kpt #: 86 total cpu time spent up to now is 156.4 secs Computing kpt #: 87 total cpu time spent up to now is 158.1 secs Computing kpt #: 88 total cpu time spent up to now is 159.9 secs Computing kpt #: 89 total cpu time spent up to now is 161.7 secs Computing kpt #: 90 total cpu time spent up to now is 163.4 secs Computing kpt #: 91 total cpu time spent up to now is 165.2 secs Computing kpt #: 92 total cpu time spent up to now is 167.0 secs Computing kpt #: 93 total cpu time spent up to now is 168.8 secs Computing kpt #: 94 total cpu time spent up to now is 170.4 secs Computing kpt #: 95 total cpu time spent up to now is 172.1 secs Computing kpt #: 96 total cpu time spent up to now is 174.0 secs Computing kpt #: 97 total cpu time spent up to now is 176.0 secs Computing kpt #: 98 total cpu time spent up to now is 177.9 secs Computing kpt #: 99 total cpu time spent up to now is 179.9 secs Computing kpt #: 100 total cpu time spent up to now is 182.0 secs Computing kpt #: 101 total cpu time spent up to now is 183.9 secs Computing kpt #: 102 total cpu time spent up to now is 185.9 secs Computing kpt #: 103 total cpu time spent up to now is 187.8 secs Computing kpt #: 104 total cpu time spent up to now is 189.8 secs Computing kpt #: 105 total cpu time spent up to now is 191.9 secs Computing kpt #: 106 total cpu time spent up to now is 193.9 secs Computing kpt #: 107 total cpu time spent up to now is 196.0 secs Computing kpt #: 108 total cpu time spent up to now is 198.0 secs Computing kpt #: 109 total cpu time spent up to now is 200.1 secs Computing kpt #: 110 total cpu time spent up to now is 202.2 secs Computing kpt #: 111 total cpu time spent up to now is 204.2 secs Computing kpt #: 112 total cpu time spent up to now is 206.4 secs Computing kpt #: 113 total cpu time spent up to now is 208.7 secs Computing kpt #: 114 total cpu time spent up to now is 210.9 secs Computing kpt #: 115 total cpu time spent up to now is 213.1 secs Computing kpt #: 116 total cpu time spent up to now is 215.2 secs Computing kpt #: 117 total cpu time spent up to now is 217.3 secs Computing kpt #: 118 total cpu time spent up to now is 219.6 secs Computing kpt #: 119 total cpu time spent up to now is 221.9 secs Computing kpt #: 120 total cpu time spent up to now is 223.7 secs Computing kpt #: 121 total cpu time spent up to now is 225.5 secs Computing kpt #: 122 total cpu time spent up to now is 227.5 secs Computing kpt #: 123 total cpu time spent up to now is 229.6 secs Computing kpt #: 124 total cpu time spent up to now is 231.6 secs Computing kpt #: 125 total cpu time spent up to now is 233.5 secs Computing kpt #: 126 total cpu time spent up to now is 235.3 secs Computing kpt #: 127 total cpu time spent up to now is 237.2 secs Computing kpt #: 128 total cpu time spent up to now is 238.9 secs Computing kpt #: 129 total cpu time spent up to now is 240.7 secs Computing kpt #: 130 total cpu time spent up to now is 242.5 secs Computing kpt #: 131 total cpu time spent up to now is 244.3 secs Computing kpt #: 132 total cpu time spent up to now is 246.1 secs Computing kpt #: 133 total cpu time spent up to now is 247.9 secs Computing kpt #: 134 total cpu time spent up to now is 249.8 secs Computing kpt #: 135 total cpu time spent up to now is 251.6 secs Computing kpt #: 136 total cpu time spent up to now is 253.5 secs Computing kpt #: 137 total cpu time spent up to now is 255.3 secs Computing kpt #: 138 total cpu time spent up to now is 257.4 secs Computing kpt #: 139 total cpu time spent up to now is 259.4 secs Computing kpt #: 140 total cpu time spent up to now is 261.5 secs Computing kpt #: 141 total cpu time spent up to now is 263.6 secs Computing kpt #: 142 total cpu time spent up to now is 265.6 secs Computing kpt #: 143 total cpu time spent up to now is 267.7 secs Computing kpt #: 144 total cpu time spent up to now is 269.8 secs Computing kpt #: 145 total cpu time spent up to now is 271.9 secs Computing kpt #: 146 total cpu time spent up to now is 273.9 secs Computing kpt #: 147 total cpu time spent up to now is 276.0 secs Computing kpt #: 148 total cpu time spent up to now is 278.1 secs Computing kpt #: 149 total cpu time spent up to now is 280.2 secs Computing kpt #: 150 total cpu time spent up to now is 282.2 secs Computing kpt #: 151 total cpu time spent up to now is 284.3 secs Computing kpt #: 152 total cpu time spent up to now is 286.4 secs Computing kpt #: 153 total cpu time spent up to now is 288.5 secs Computing kpt #: 154 total cpu time spent up to now is 290.6 secs Computing kpt #: 155 total cpu time spent up to now is 292.6 secs Computing kpt #: 156 total cpu time spent up to now is 294.7 secs Computing kpt #: 157 total cpu time spent up to now is 296.8 secs Computing kpt #: 158 total cpu time spent up to now is 298.8 secs Computing kpt #: 159 total cpu time spent up to now is 300.9 secs Computing kpt #: 160 total cpu time spent up to now is 303.0 secs Computing kpt #: 161 total cpu time spent up to now is 305.0 secs Computing kpt #: 162 total cpu time spent up to now is 307.1 secs Computing kpt #: 163 total cpu time spent up to now is 309.2 secs Computing kpt #: 164 total cpu time spent up to now is 311.2 secs Computing kpt #: 165 total cpu time spent up to now is 313.3 secs Computing kpt #: 166 total cpu time spent up to now is 315.3 secs Computing kpt #: 167 total cpu time spent up to now is 317.2 secs Computing kpt #: 168 total cpu time spent up to now is 319.1 secs Computing kpt #: 169 total cpu time spent up to now is 321.0 secs Computing kpt #: 170 total cpu time spent up to now is 322.9 secs Computing kpt #: 171 total cpu time spent up to now is 324.8 secs Computing kpt #: 172 total cpu time spent up to now is 326.6 secs Computing kpt #: 173 total cpu time spent up to now is 328.5 secs Computing kpt #: 174 total cpu time spent up to now is 330.3 secs Computing kpt #: 175 total cpu time spent up to now is 332.2 secs Computing kpt #: 176 total cpu time spent up to now is 334.0 secs Computing kpt #: 177 total cpu time spent up to now is 335.8 secs Computing kpt #: 178 total cpu time spent up to now is 337.9 secs Computing kpt #: 179 total cpu time spent up to now is 339.7 secs Computing kpt #: 180 total cpu time spent up to now is 341.8 secs Computing kpt #: 181 total cpu time spent up to now is 343.8 secs Computing kpt #: 182 total cpu time spent up to now is 345.9 secs Computing kpt #: 183 total cpu time spent up to now is 347.9 secs Computing kpt #: 184 total cpu time spent up to now is 349.8 secs Computing kpt #: 185 total cpu time spent up to now is 351.7 secs Computing kpt #: 186 total cpu time spent up to now is 353.8 secs Computing kpt #: 187 total cpu time spent up to now is 355.8 secs Computing kpt #: 188 total cpu time spent up to now is 357.9 secs Computing kpt #: 189 total cpu time spent up to now is 359.9 secs Computing kpt #: 190 total cpu time spent up to now is 362.0 secs Computing kpt #: 191 total cpu time spent up to now is 364.2 secs Computing kpt #: 192 total cpu time spent up to now is 366.3 secs Computing kpt #: 193 total cpu time spent up to now is 368.4 secs Computing kpt #: 194 total cpu time spent up to now is 370.5 secs Computing kpt #: 195 total cpu time spent up to now is 372.6 secs Computing kpt #: 196 total cpu time spent up to now is 374.7 secs Computing kpt #: 197 total cpu time spent up to now is 376.7 secs Computing kpt #: 198 total cpu time spent up to now is 378.8 secs Computing kpt #: 199 total cpu time spent up to now is 380.9 secs Computing kpt #: 200 total cpu time spent up to now is 383.0 secs Computing kpt #: 201 total cpu time spent up to now is 384.9 secs Computing kpt #: 202 total cpu time spent up to now is 386.8 secs Computing kpt #: 203 total cpu time spent up to now is 389.3 secs Computing kpt #: 204 total cpu time spent up to now is 391.7 secs Computing kpt #: 205 total cpu time spent up to now is 394.0 secs Computing kpt #: 206 total cpu time spent up to now is 396.1 secs Computing kpt #: 207 total cpu time spent up to now is 398.2 secs Computing kpt #: 208 total cpu time spent up to now is 400.3 secs Computing kpt #: 209 total cpu time spent up to now is 402.4 secs Computing kpt #: 210 total cpu time spent up to now is 404.5 secs Computing kpt #: 211 total cpu time spent up to now is 406.6 secs Computing kpt #: 212 total cpu time spent up to now is 408.7 secs Computing kpt #: 213 total cpu time spent up to now is 410.8 secs Computing kpt #: 214 total cpu time spent up to now is 412.8 secs Computing kpt #: 215 total cpu time spent up to now is 414.9 secs Computing kpt #: 216 total cpu time spent up to now is 417.0 secs Computing kpt #: 217 total cpu time spent up to now is 419.1 secs Computing kpt #: 218 total cpu time spent up to now is 421.2 secs Computing kpt #: 219 total cpu time spent up to now is 423.2 secs Computing kpt #: 220 total cpu time spent up to now is 425.3 secs Computing kpt #: 221 total cpu time spent up to now is 427.4 secs Computing kpt #: 222 total cpu time spent up to now is 429.4 secs Computing kpt #: 223 total cpu time spent up to now is 431.5 secs Computing kpt #: 224 total cpu time spent up to now is 433.2 secs Computing kpt #: 225 total cpu time spent up to now is 434.8 secs Computing kpt #: 226 total cpu time spent up to now is 436.5 secs Computing kpt #: 227 total cpu time spent up to now is 438.2 secs Computing kpt #: 228 total cpu time spent up to now is 439.8 secs Computing kpt #: 229 total cpu time spent up to now is 441.4 secs Computing kpt #: 230 total cpu time spent up to now is 443.1 secs Computing kpt #: 231 total cpu time spent up to now is 444.8 secs Computing kpt #: 232 total cpu time spent up to now is 446.5 secs Computing kpt #: 233 total cpu time spent up to now is 448.1 secs Computing kpt #: 234 total cpu time spent up to now is 449.8 secs Computing kpt #: 235 total cpu time spent up to now is 451.4 secs Computing kpt #: 236 total cpu time spent up to now is 453.1 secs Computing kpt #: 237 total cpu time spent up to now is 454.7 secs Computing kpt #: 238 total cpu time spent up to now is 456.3 secs Computing kpt #: 239 total cpu time spent up to now is 458.0 secs Computing kpt #: 240 total cpu time spent up to now is 459.6 secs Computing kpt #: 241 total cpu time spent up to now is 461.3 secs Computing kpt #: 242 total cpu time spent up to now is 463.0 secs Computing kpt #: 243 total cpu time spent up to now is 464.6 secs Computing kpt #: 244 total cpu time spent up to now is 466.2 secs Computing kpt #: 245 total cpu time spent up to now is 467.9 secs Computing kpt #: 246 total cpu time spent up to now is 469.6 secs Computing kpt #: 247 total cpu time spent up to now is 471.3 secs Computing kpt #: 248 total cpu time spent up to now is 473.0 secs Computing kpt #: 249 total cpu time spent up to now is 474.7 secs Computing kpt #: 250 total cpu time spent up to now is 476.4 secs Computing kpt #: 251 total cpu time spent up to now is 478.2 secs Computing kpt #: 252 total cpu time spent up to now is 480.1 secs Computing kpt #: 253 total cpu time spent up to now is 482.0 secs Computing kpt #: 254 total cpu time spent up to now is 483.9 secs Computing kpt #: 255 total cpu time spent up to now is 485.8 secs Computing kpt #: 256 total cpu time spent up to now is 487.9 secs Computing kpt #: 257 total cpu time spent up to now is 490.0 secs Computing kpt #: 258 total cpu time spent up to now is 492.1 secs Computing kpt #: 259 total cpu time spent up to now is 494.2 secs Computing kpt #: 260 total cpu time spent up to now is 496.1 secs Computing kpt #: 261 total cpu time spent up to now is 498.2 secs Computing kpt #: 262 total cpu time spent up to now is 500.3 secs Computing kpt #: 263 total cpu time spent up to now is 502.2 secs ethr = 1.09E-08, avg # of iterations = 19.8 total cpu time spent up to now is 502.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6865 PWs) bands (ev): -16.4222 -16.4222 -16.3878 -16.3878 -16.3810 -16.3810 -16.3546 -16.3546 -13.6480 -13.6480 -13.5858 -13.5858 -13.4490 -13.4490 -13.4433 -13.4433 -13.3621 -13.3621 -13.3510 -13.3510 -11.2259 -11.2259 -9.8985 -9.8985 -9.4913 -9.4913 -8.9380 -8.9380 -7.0385 -7.0385 -6.7802 -6.7802 -1.9044 -1.9044 -0.8198 -0.8198 -0.0689 -0.0689 0.1119 0.1119 0.1374 0.1374 0.3750 0.3750 0.5283 0.5283 0.7950 0.7950 0.8341 0.8341 0.8987 0.8987 0.9341 0.9341 1.1664 1.1664 1.9514 1.9514 2.9416 2.9416 3.2292 3.2292 3.4810 3.4810 3.8928 3.8928 3.9886 3.9886 4.5399 4.5399 4.6833 4.6833 4.7392 4.7392 5.3235 5.3235 5.5648 5.5648 5.6551 5.6551 5.6980 5.6980 5.9150 5.9150 5.9721 5.9721 6.1324 6.1324 6.4249 6.4249 6.6999 6.6999 9.7449 9.7449 10.3547 10.3547 10.8479 10.8479 11.9380 11.9380 12.1884 12.1884 12.5549 12.5549 13.3423 13.3423 13.4532 13.4532 14.3812 14.3812 k = 0.0000 0.0000 0.0127 ( 6858 PWs) bands (ev): -16.4222 -16.4222 -16.3878 -16.3878 -16.3810 -16.3810 -16.3546 -16.3546 -13.6480 -13.6480 -13.5858 -13.5858 -13.4490 -13.4490 -13.4433 -13.4433 -13.3621 -13.3621 -13.3510 -13.3510 -11.2256 -11.2256 -9.9002 -9.9002 -9.4895 -9.4895 -8.9383 -8.9383 -7.0384 -7.0384 -6.7804 -6.7804 -1.9048 -1.9048 -0.8192 -0.8192 -0.0688 -0.0688 0.1113 0.1113 0.1380 0.1380 0.3750 0.3750 0.5284 0.5284 0.7939 0.7939 0.8351 0.8351 0.8988 0.8988 0.9344 0.9344 1.1665 1.1665 1.9518 1.9518 2.9407 2.9407 3.2288 3.2288 3.4803 3.4803 3.8897 3.8897 3.9900 3.9900 4.5430 4.5430 4.6841 4.6841 4.7340 4.7340 5.3299 5.3299 5.5610 5.5610 5.6563 5.6563 5.6993 5.6993 5.9151 5.9151 5.9712 5.9712 6.1321 6.1321 6.4255 6.4255 6.6999 6.6999 9.7464 9.7464 10.3520 10.3520 10.8492 10.8492 11.9407 11.9407 12.1871 12.1871 12.5547 12.5547 13.3425 13.3425 13.4534 13.4534 14.3766 14.3766 k = 0.0000 0.0000 0.0253 ( 6861 PWs) bands (ev): -16.4222 -16.4222 -16.3878 -16.3878 -16.3810 -16.3810 -16.3546 -16.3546 -13.6480 -13.6480 -13.5858 -13.5858 -13.4490 -13.4490 -13.4434 -13.4434 -13.3621 -13.3621 -13.3510 -13.3510 -11.2248 -11.2248 -9.9053 -9.9053 -9.4843 -9.4843 -8.9393 -8.9393 -7.0380 -7.0380 -6.7807 -6.7807 -1.9059 -1.9059 -0.8173 -0.8173 -0.0687 -0.0687 0.1096 0.1096 0.1394 0.1394 0.3752 0.3752 0.5286 0.5286 0.7908 0.7908 0.8375 0.8375 0.8991 0.8991 0.9353 0.9353 1.1668 1.1668 1.9529 1.9529 2.9379 2.9379 3.2279 3.2279 3.4783 3.4783 3.8809 3.8809 3.9941 3.9941 4.5521 4.5521 4.6854 4.6854 4.7206 4.7206 5.3477 5.3477 5.5506 5.5506 5.6589 5.6589 5.7030 5.7030 5.9153 5.9153 5.9688 5.9688 6.1312 6.1312 6.4273 6.4273 6.7001 6.7001 9.7509 9.7509 10.3438 10.3438 10.8530 10.8530 11.9485 11.9485 12.1832 12.1832 12.5542 12.5542 13.3431 13.3431 13.4540 13.4540 14.3631 14.3631 k = 0.0000 0.0000 0.0380 ( 6870 PWs) bands (ev): -16.4222 -16.4222 -16.3878 -16.3878 -16.3810 -16.3810 -16.3546 -16.3546 -13.6480 -13.6480 -13.5857 -13.5857 -13.4490 -13.4490 -13.4434 -13.4434 -13.3621 -13.3621 -13.3510 -13.3510 -11.2235 -11.2235 -9.9135 -9.9135 -9.4758 -9.4758 -8.9408 -8.9408 -7.0374 -7.0374 -6.7813 -6.7813 -1.9077 -1.9077 -0.8143 -0.8143 -0.0684 -0.0684 0.1072 0.1072 0.1415 0.1415 0.3754 0.3754 0.5289 0.5289 0.7864 0.7864 0.8408 0.8408 0.8995 0.8995 0.9366 0.9366 1.1673 1.1673 1.9548 1.9548 2.9333 2.9333 3.2261 3.2261 3.4752 3.4752 3.8674 3.8674 4.0002 4.0002 4.5652 4.5652 4.6791 4.6791 4.7102 4.7102 5.3735 5.3735 5.5366 5.5366 5.6615 5.6615 5.7090 5.7090 5.9158 5.9158 5.9648 5.9648 6.1297 6.1297 6.4302 6.4302 6.7004 6.7004 9.7581 9.7581 10.3306 10.3306 10.8595 10.8595 11.9610 11.9610 12.1768 12.1768 12.5536 12.5536 13.3441 13.3441 13.4549 13.4549 14.3408 14.3408 k = 0.0000 0.0000 0.0506 ( 6872 PWs) bands (ev): -16.4222 -16.4222 -16.3878 -16.3878 -16.3810 -16.3810 -16.3546 -16.3546 -13.6480 -13.6480 -13.5856 -13.5856 -13.4490 -13.4490 -13.4436 -13.4436 -13.3621 -13.3621 -13.3510 -13.3510 -11.2216 -11.2216 -9.9242 -9.9242 -9.4646 -9.4646 -8.9430 -8.9430 -7.0366 -7.0366 -6.7821 -6.7821 -1.9103 -1.9103 -0.8100 -0.8100 -0.0680 -0.0680 0.1044 0.1044 0.1438 0.1438 0.3757 0.3757 0.5294 0.5294 0.7813 0.7813 0.8443 0.8443 0.9004 0.9004 0.9383 0.9383 1.1681 1.1681 1.9573 1.9573 2.9270 2.9270 3.2235 3.2235 3.4711 3.4711 3.8506 3.8506 4.0080 4.0080 4.5775 4.5775 4.6594 4.6594 4.7153 4.7153 5.4004 5.4004 5.5242 5.5242 5.6636 5.6636 5.7168 5.7168 5.9164 5.9164 5.9596 5.9596 6.1277 6.1277 6.4341 6.4341 6.7007 6.7007 9.7677 9.7677 10.3130 10.3130 10.8686 10.8686 11.9775 11.9775 12.1683 12.1683 12.5529 12.5529 13.3456 13.3456 13.4561 13.4561 14.3103 14.3103 k = 0.0000 0.0000 0.0633 ( 6870 PWs) bands (ev): -16.4222 -16.4222 -16.3878 -16.3878 -16.3810 -16.3810 -16.3547 -16.3547 -13.6480 -13.6480 -13.5856 -13.5856 -13.4490 -13.4490 -13.4437 -13.4437 -13.3621 -13.3621 -13.3510 -13.3510 -11.2193 -11.2193 -9.9371 -9.9371 -9.4512 -9.4512 -8.9458 -8.9458 -7.0356 -7.0356 -6.7832 -6.7832 -1.9134 -1.9134 -0.8048 -0.8048 -0.0675 -0.0675 0.1014 0.1014 0.1463 0.1463 0.3761 0.3761 0.5300 0.5300 0.7759 0.7759 0.8476 0.8476 0.9018 0.9018 0.9403 0.9403 1.1690 1.1690 1.9606 1.9606 2.9191 2.9191 3.2198 3.2198 3.4665 3.4665 3.8315 3.8315 4.0175 4.0175 4.5755 4.5755 4.6477 4.6477 4.7291 4.7291 5.4152 5.4152 5.5248 5.5248 5.6653 5.6653 5.7258 5.7258 5.9170 5.9170 5.9535 5.9535 6.1253 6.1253 6.4389 6.4389 6.7009 6.7009 9.7790 9.7790 10.2920 10.2920 10.8803 10.8803 11.9966 11.9966 12.1583 12.1583 12.5523 12.5523 13.3475 13.3475 13.4575 13.4575 14.2724 14.2724 k = 0.0000 0.0000 0.0759 ( 6862 PWs) bands (ev): -16.4222 -16.4222 -16.3878 -16.3878 -16.3810 -16.3810 -16.3547 -16.3547 -13.6480 -13.6480 -13.5855 -13.5855 -13.4489 -13.4489 -13.4439 -13.4439 -13.3621 -13.3621 -13.3510 -13.3510 -11.2166 -11.2166 -9.9515 -9.9515 -9.4359 -9.4359 -8.9492 -8.9492 -7.0344 -7.0344 -6.7844 -6.7844 -1.9171 -1.9171 -0.7986 -0.7986 -0.0669 -0.0669 0.0985 0.0985 0.1486 0.1486 0.3766 0.3766 0.5307 0.5307 0.7704 0.7704 0.8505 0.8505 0.9039 0.9039 0.9425 0.9425 1.1702 1.1702 1.9644 1.9644 2.9098 2.9098 3.2148 3.2148 3.4619 3.4619 3.8109 3.8109 4.0286 4.0286 4.5496 4.5496 4.6563 4.6563 4.7494 4.7494 5.4063 5.4063 5.5475 5.5475 5.6675 5.6675 5.7355 5.7355 5.9175 5.9175 5.9470 5.9470 6.1223 6.1223 6.4443 6.4443 6.7011 6.7011 9.7914 9.7914 10.2687 10.2687 10.8944 10.8944 12.0167 12.0167 12.1475 12.1475 12.5524 12.5524 13.3499 13.3499 13.4592 13.4592 14.2278 14.2278 k = 0.0000 0.0000 0.0886 ( 6864 PWs) bands (ev): -16.4222 -16.4222 -16.3877 -16.3877 -16.3810 -16.3810 -16.3547 -16.3547 -13.6480 -13.6480 -13.5854 -13.5854 -13.4489 -13.4489 -13.4441 -13.4441 -13.3620 -13.3620 -13.3510 -13.3510 -11.2135 -11.2135 -9.9670 -9.9670 -9.4194 -9.4194 -8.9532 -8.9532 -7.0330 -7.0330 -6.7858 -6.7858 -1.9212 -1.9212 -0.7916 -0.7916 -0.0662 -0.0662 0.0956 0.0956 0.1506 0.1506 0.3771 0.3771 0.5315 0.5315 0.7648 0.7648 0.8529 0.8529 0.9065 0.9065 0.9447 0.9447 1.1716 1.1716 1.9687 1.9687 2.8995 2.8995 3.2080 3.2080 3.4578 3.4578 3.7896 3.7896 4.0415 4.0415 4.5127 4.5127 4.6727 4.6727 4.7763 4.7763 5.3811 5.3811 5.5817 5.5817 5.6717 5.6717 5.7457 5.7457 5.9175 5.9175 5.9410 5.9410 6.1190 6.1190 6.4502 6.4502 6.7012 6.7012 9.8036 9.8036 10.2447 10.2447 10.9108 10.9108 12.0352 12.0352 12.1379 12.1379 12.5534 12.5534 13.3527 13.3527 13.4610 13.4610 14.1775 14.1775 k = 0.0000 0.0000 0.1012 ( 6876 PWs) bands (ev): -16.4222 -16.4222 -16.3877 -16.3877 -16.3810 -16.3810 -16.3547 -16.3547 -13.6480 -13.6480 -13.5852 -13.5852 -13.4489 -13.4489 -13.4443 -13.4443 -13.3620 -13.3620 -13.3510 -13.3510 -11.2100 -11.2100 -9.9833 -9.9833 -9.4018 -9.4018 -8.9578 -8.9578 -7.0314 -7.0314 -6.7873 -6.7873 -1.9256 -1.9256 -0.7840 -0.7840 -0.0654 -0.0654 0.0929 0.0929 0.1524 0.1524 0.3776 0.3776 0.5323 0.5323 0.7594 0.7594 0.8546 0.8546 0.9097 0.9097 0.9468 0.9468 1.1731 1.1731 1.9734 1.9734 2.8883 2.8883 3.1992 3.1992 3.4547 3.4547 3.7683 3.7683 4.0558 4.0558 4.4727 4.4727 4.6895 4.6895 4.8092 4.8092 5.3480 5.3480 5.6127 5.6127 5.6823 5.6823 5.7570 5.7570 5.9164 5.9164 5.9368 5.9368 6.1153 6.1153 6.4566 6.4566 6.7010 6.7010 9.8145 9.8145 10.2216 10.2216 10.9292 10.9292 12.0478 12.0478 12.1329 12.1329 12.5562 12.5562 13.3558 13.3558 13.4628 13.4628 14.1227 14.1227 k = 0.0000 0.0000 0.1139 ( 6877 PWs) bands (ev): -16.4222 -16.4222 -16.3877 -16.3877 -16.3810 -16.3810 -16.3548 -16.3548 -13.6480 -13.6480 -13.5851 -13.5851 -13.4489 -13.4489 -13.4446 -13.4446 -13.3620 -13.3620 -13.3510 -13.3510 -11.2063 -11.2063 -9.9998 -9.9998 -9.3837 -9.3837 -8.9629 -8.9629 -7.0297 -7.0297 -6.7890 -6.7890 -1.9303 -1.9303 -0.7760 -0.7760 -0.0645 -0.0645 0.0903 0.0903 0.1539 0.1539 0.3782 0.3782 0.5332 0.5332 0.7542 0.7542 0.8560 0.8560 0.9135 0.9135 0.9489 0.9489 1.1749 1.1749 1.9785 1.9785 2.8766 2.8766 3.1882 3.1882 3.4532 3.4532 3.7475 3.7475 4.0714 4.0714 4.4325 4.4325 4.7053 4.7053 4.8467 4.8467 5.3103 5.3103 5.6302 5.6302 5.7025 5.7025 5.7712 5.7712 5.9142 5.9142 5.9357 5.9357 6.1114 6.1114 6.4633 6.4633 6.7005 6.7005 9.8222 9.8222 10.2016 10.2016 10.9492 10.9492 12.0499 12.0499 12.1362 12.1362 12.5615 12.5615 13.3590 13.3590 13.4647 13.4647 14.0646 14.0646 k = 0.0000 0.0000 0.1265 ( 6866 PWs) bands (ev): -16.4222 -16.4222 -16.3877 -16.3877 -16.3810 -16.3810 -16.3548 -16.3548 -13.6480 -13.6480 -13.5850 -13.5850 -13.4489 -13.4489 -13.4448 -13.4448 -13.3620 -13.3620 -13.3510 -13.3510 -11.2023 -11.2023 -10.0164 -10.0164 -9.3652 -9.3652 -8.9686 -8.9686 -7.0279 -7.0279 -6.7908 -6.7908 -1.9352 -1.9352 -0.7676 -0.7676 -0.0635 -0.0635 0.0881 0.0881 0.1551 0.1551 0.3788 0.3788 0.5342 0.5342 0.7493 0.7493 0.8571 0.8571 0.9175 0.9175 0.9508 0.9508 1.1768 1.1768 1.9839 1.9839 2.8648 2.8648 3.1749 3.1749 3.4535 3.4535 3.7279 3.7279 4.0875 4.0875 4.3940 4.3940 4.7201 4.7201 4.8873 4.8873 5.2696 5.2696 5.6363 5.6363 5.7231 5.7231 5.7914 5.7914 5.9127 5.9127 5.9377 5.9377 6.1073 6.1073 6.4704 6.4704 6.6995 6.6995 9.8251 9.8251 10.1866 10.1866 10.9706 10.9706 12.0419 12.0419 12.1464 12.1464 12.5702 12.5702 13.3620 13.3620 13.4666 13.4666 14.0042 14.0042 k = 0.0000 0.0000 0.1392 ( 6859 PWs) bands (ev): -16.4222 -16.4222 -16.3877 -16.3877 -16.3810 -16.3810 -16.3548 -16.3548 -13.6480 -13.6480 -13.5848 -13.5848 -13.4488 -13.4488 -13.4451 -13.4451 -13.3620 -13.3620 -13.3510 -13.3510 -11.1983 -11.1983 -10.0326 -10.0326 -9.3467 -9.3467 -8.9748 -8.9748 -7.0261 -7.0261 -6.7927 -6.7927 -1.9401 -1.9401 -0.7590 -0.7590 -0.0625 -0.0625 0.0861 0.0861 0.1559 0.1559 0.3794 0.3794 0.5352 0.5352 0.7448 0.7448 0.8578 0.8578 0.9217 0.9217 0.9525 0.9525 1.1790 1.1790 1.9894 1.9894 2.8531 2.8531 3.1596 3.1596 3.4556 3.4556 3.7097 3.7097 4.1026 4.1026 4.3593 4.3593 4.7339 4.7339 4.9296 4.9296 5.2270 5.2270 5.6375 5.6375 5.7344 5.7344 5.8163 5.8163 5.9147 5.9147 5.9434 5.9434 6.1031 6.1031 6.4777 6.4777 6.6980 6.6980 9.8219 9.8219 10.1783 10.1783 10.9928 10.9928 12.0284 12.0284 12.1583 12.1583 12.5831 12.5831 13.3644 13.3644 13.4686 13.4686 13.9428 13.9428 k = 0.0000 0.0000 0.1519 ( 6861 PWs) bands (ev): -16.4222 -16.4222 -16.3876 -16.3876 -16.3809 -16.3809 -16.3548 -16.3548 -13.6480 -13.6480 -13.5847 -13.5847 -13.4488 -13.4488 -13.4453 -13.4453 -13.3620 -13.3620 -13.3510 -13.3510 -11.1941 -11.1941 -10.0483 -10.0483 -9.3283 -9.3283 -8.9815 -8.9815 -7.0242 -7.0242 -6.7945 -6.7945 -1.9450 -1.9450 -0.7505 -0.7505 -0.0615 -0.0615 0.0844 0.0844 0.1564 0.1564 0.3799 0.3799 0.5361 0.5361 0.7405 0.7405 0.8584 0.8584 0.9259 0.9259 0.9540 0.9540 1.1812 1.1812 1.9949 1.9949 2.8419 2.8419 3.1424 3.1424 3.4594 3.4594 3.6937 3.6937 4.1137 4.1137 4.3316 4.3316 4.7470 4.7470 4.9717 4.9717 5.1836 5.1836 5.6367 5.6367 5.7370 5.7370 5.8374 5.8374 5.9207 5.9207 5.9564 5.9564 6.0989 6.0989 6.4854 6.4854 6.6959 6.6959 9.8123 9.8123 10.1770 10.1770 11.0154 11.0154 12.0126 12.0126 12.1686 12.1686 12.6008 12.6008 13.3653 13.3653 13.4706 13.4706 13.8819 13.8819 k = 0.0000 0.0000 0.1645 ( 6863 PWs) bands (ev): -16.4222 -16.4222 -16.3876 -16.3876 -16.3809 -16.3809 -16.3549 -16.3549 -13.6480 -13.6480 -13.5846 -13.5846 -13.4488 -13.4488 -13.4456 -13.4456 -13.3619 -13.3619 -13.3510 -13.3510 -11.1900 -11.1900 -10.0632 -10.0632 -9.3102 -9.3102 -8.9885 -8.9885 -7.0224 -7.0224 -6.7964 -6.7964 -1.9497 -1.9497 -0.7422 -0.7422 -0.0604 -0.0604 0.0830 0.0830 0.1567 0.1567 0.3804 0.3804 0.5371 0.5371 0.7366 0.7366 0.8589 0.8589 0.9300 0.9300 0.9552 0.9552 1.1834 1.1834 2.0004 2.0004 2.8314 2.8314 3.1240 3.1240 3.4643 3.4643 3.6802 3.6802 4.1169 4.1169 4.3153 4.3153 4.7593 4.7593 5.0107 5.0107 5.1424 5.1424 5.6347 5.6347 5.7333 5.7333 5.8507 5.8507 5.9268 5.9268 5.9800 5.9800 6.0950 6.0950 6.4933 6.4933 6.6930 6.6930 9.7971 9.7971 10.1821 10.1821 11.0381 11.0381 11.9959 11.9959 12.1757 12.1757 12.6234 12.6234 13.3639 13.3639 13.4728 13.4728 13.8228 13.8228 k = 0.0000 0.0000 0.1772 ( 6864 PWs) bands (ev): -16.4222 -16.4222 -16.3876 -16.3876 -16.3809 -16.3809 -16.3549 -16.3549 -13.6481 -13.6481 -13.5844 -13.5844 -13.4487 -13.4487 -13.4459 -13.4459 -13.3619 -13.3619 -13.3510 -13.3510 -11.1861 -11.1861 -10.0771 -10.0771 -9.2927 -9.2927 -8.9959 -8.9959 -7.0205 -7.0205 -6.7982 -6.7982 -1.9541 -1.9541 -0.7343 -0.7343 -0.0593 -0.0593 0.0818 0.0818 0.1566 0.1566 0.3808 0.3808 0.5380 0.5380 0.7331 0.7331 0.8594 0.8594 0.9339 0.9339 0.9561 0.9561 1.1856 1.1856 2.0056 2.0056 2.8220 2.8220 3.1049 3.1049 3.4699 3.4699 3.6699 3.6699 4.1086 4.1086 4.3139 4.3139 4.7707 4.7707 5.0337 5.0337 5.1157 5.1157 5.6320 5.6320 5.7250 5.7250 5.8589 5.8589 5.9313 5.9313 6.0105 6.0105 6.0920 6.0920 6.5017 6.5017 6.6893 6.6893 9.7780 9.7780 10.1920 10.1920 11.0603 11.0603 11.9792 11.9792 12.1794 12.1794 12.6508 12.6508 13.3589 13.3589 13.4754 13.4754 13.7672 13.7672 k = 0.0000 0.0000 0.1898 ( 6857 PWs) bands (ev): -16.4222 -16.4222 -16.3876 -16.3876 -16.3809 -16.3809 -16.3549 -16.3549 -13.6481 -13.6481 -13.5843 -13.5843 -13.4487 -13.4487 -13.4461 -13.4461 -13.3619 -13.3619 -13.3510 -13.3510 -11.1823 -11.1823 -10.0899 -10.0899 -9.2759 -9.2759 -9.0035 -9.0035 -7.0188 -7.0188 -6.8000 -6.8000 -1.9583 -1.9583 -0.7269 -0.7269 -0.0583 -0.0583 0.0809 0.0809 0.1565 0.1565 0.3811 0.3811 0.5389 0.5389 0.7301 0.7301 0.8599 0.8599 0.9376 0.9376 0.9568 0.9568 1.1878 1.1878 2.0105 2.0105 2.8138 2.8138 3.0859 3.0859 3.4753 3.4753 3.6632 3.6632 4.0898 4.0898 4.3265 4.3265 4.7811 4.7811 5.0150 5.0150 5.1295 5.1295 5.6287 5.6287 5.7134 5.7134 5.8649 5.8649 5.9347 5.9347 6.0407 6.0407 6.0913 6.0913 6.5106 6.5106 6.6848 6.6848 9.7569 9.7569 10.2048 10.2048 11.0817 11.0817 11.9631 11.9631 12.1803 12.1803 12.6822 12.6822 13.3489 13.3489 13.4786 13.4786 13.7168 13.7168 k = 0.0000 0.0000 0.2025 ( 6857 PWs) bands (ev): -16.4222 -16.4222 -16.3876 -16.3876 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5842 -13.5842 -13.4486 -13.4486 -13.4464 -13.4464 -13.3619 -13.3619 -13.3510 -13.3510 -11.1788 -11.1788 -10.1012 -10.1012 -9.2602 -9.2602 -9.0112 -9.0112 -7.0172 -7.0172 -6.8016 -6.8016 -1.9620 -1.9620 -0.7201 -0.7201 -0.0573 -0.0573 0.0802 0.0802 0.1562 0.1562 0.3814 0.3814 0.5397 0.5397 0.7274 0.7274 0.8603 0.8603 0.9409 0.9409 0.9572 0.9572 1.1899 1.1899 2.0150 2.0150 2.8068 2.8068 3.0675 3.0675 3.4799 3.4799 3.6604 3.6604 4.0649 4.0649 4.3489 4.3489 4.7904 4.7904 4.9747 4.9747 5.1635 5.1635 5.6245 5.6245 5.6999 5.6999 5.8701 5.8701 5.9376 5.9376 6.0615 6.0615 6.0989 6.0989 6.5199 6.5199 6.6794 6.6794 9.7355 9.7355 10.2189 10.2189 11.1017 11.1017 11.9478 11.9478 12.1790 12.1790 12.7168 12.7168 13.3325 13.3325 13.4825 13.4825 13.6734 13.6734 k = 0.0000 0.0000 0.2151 ( 6879 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5841 -13.5841 -13.4486 -13.4486 -13.4466 -13.4466 -13.3619 -13.3619 -13.3510 -13.3510 -11.1757 -11.1757 -10.1112 -10.1112 -9.2457 -9.2457 -9.0188 -9.0188 -7.0158 -7.0158 -6.8030 -6.8030 -1.9653 -1.9653 -0.7142 -0.7142 -0.0565 -0.0565 0.0796 0.0796 0.1557 0.1557 0.3815 0.3815 0.5403 0.5403 0.7250 0.7250 0.8606 0.8606 0.9439 0.9439 0.9574 0.9574 1.1917 1.1917 2.0190 2.0190 2.8012 2.8012 3.0505 3.0505 3.4832 3.4832 3.6615 3.6615 4.0377 4.0377 4.3770 4.3770 4.7982 4.7982 4.9308 4.9308 5.1998 5.1998 5.6192 5.6192 5.6859 5.6859 5.8747 5.8747 5.9400 5.9400 6.0673 6.0673 6.1185 6.1185 6.5296 6.5296 6.6733 6.6733 9.7153 9.7153 10.2328 10.2328 11.1200 11.1200 11.9338 11.9338 12.1766 12.1766 12.7534 12.7534 13.3093 13.3093 13.4869 13.4869 13.6380 13.6380 k = 0.0000 0.0000 0.2278 ( 6881 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5840 -13.5840 -13.4485 -13.4485 -13.4468 -13.4468 -13.3619 -13.3619 -13.3510 -13.3510 -11.1730 -11.1730 -10.1194 -10.1194 -9.2329 -9.2329 -9.0258 -9.0258 -7.0145 -7.0145 -6.8042 -6.8042 -1.9681 -1.9681 -0.7092 -0.7092 -0.0558 -0.0558 0.0793 0.0793 0.1553 0.1553 0.3816 0.3816 0.5409 0.5409 0.7232 0.7232 0.8610 0.8610 0.9465 0.9465 0.9574 0.9574 1.1933 1.1933 2.0224 2.0224 2.7968 2.7968 3.0355 3.0355 3.4853 3.4853 3.6658 3.6658 4.0112 4.0112 4.4078 4.4078 4.8041 4.8041 4.8881 4.8881 5.2341 5.2341 5.6123 5.6123 5.6732 5.6732 5.8787 5.8787 5.9420 5.9420 6.0670 6.0670 6.1404 6.1404 6.5395 6.5395 6.6665 6.6665 9.6974 9.6974 10.2455 10.2455 11.1359 11.1359 11.9215 11.9215 12.1736 12.1736 12.7908 12.7908 13.2805 13.2805 13.4918 13.4918 13.6110 13.6110 k = 0.0000 0.0000 0.2404 ( 6869 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5840 -13.5840 -13.4484 -13.4484 -13.4470 -13.4470 -13.3619 -13.3619 -13.3510 -13.3510 -11.1709 -11.1709 -10.1260 -10.1260 -9.2221 -9.2221 -9.0321 -9.0321 -7.0135 -7.0135 -6.8052 -6.8052 -1.9703 -1.9703 -0.7052 -0.7052 -0.0552 -0.0552 0.0791 0.0791 0.1549 0.1549 0.3818 0.3818 0.5414 0.5414 0.7218 0.7218 0.8613 0.8613 0.9488 0.9488 0.9573 0.9573 1.1947 1.1947 2.0252 2.0252 2.7937 2.7937 3.0231 3.0231 3.4862 3.4862 3.6722 3.6722 3.9875 3.9875 4.4387 4.4387 4.8066 4.8066 4.8505 4.8505 5.2644 5.2644 5.6037 5.6037 5.6632 5.6632 5.8820 5.8820 5.9436 5.9436 6.0656 6.0656 6.1589 6.1589 6.5491 6.5491 6.6596 6.6596 9.6826 9.6826 10.2561 10.2561 11.1490 11.1490 11.9112 11.9112 12.1708 12.1708 12.8269 12.8269 13.2489 13.2489 13.4966 13.4966 13.5914 13.5914 k = 0.0000 0.0000 0.2531 ( 6866 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5839 -13.5839 -13.4484 -13.4484 -13.4471 -13.4471 -13.3618 -13.3618 -13.3510 -13.3510 -11.1693 -11.1693 -10.1307 -10.1307 -9.2139 -9.2139 -9.0371 -9.0371 -7.0128 -7.0128 -6.8060 -6.8060 -1.9719 -1.9719 -0.7023 -0.7023 -0.0547 -0.0547 0.0790 0.0790 0.1546 0.1546 0.3818 0.3818 0.5417 0.5417 0.7208 0.7208 0.8615 0.8615 0.9506 0.9506 0.9569 0.9569 1.1957 1.1957 2.0271 2.0271 2.7917 2.7917 3.0137 3.0137 3.4865 3.4865 3.6790 3.6790 3.9684 3.9684 4.4666 4.4666 4.7979 4.7979 4.8285 4.8285 5.2886 5.2886 5.5947 5.5947 5.6565 5.6565 5.8845 5.8845 5.9449 5.9449 6.0642 6.0642 6.1727 6.1727 6.5576 6.5576 6.6532 6.6532 9.6717 9.6717 10.2641 10.2641 11.1588 11.1588 11.9034 11.9034 12.1686 12.1686 12.8588 12.8588 13.2188 13.2188 13.5009 13.5009 13.5781 13.5781 k = 0.0000 0.0000 0.2657 ( 6870 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5839 -13.5839 -13.4483 -13.4483 -13.4472 -13.4472 -13.3618 -13.3618 -13.3510 -13.3510 -11.1683 -11.1683 -10.1336 -10.1336 -9.2086 -9.2086 -9.0404 -9.0404 -7.0123 -7.0123 -6.8064 -6.8064 -1.9729 -1.9729 -0.7005 -0.7005 -0.0544 -0.0544 0.0789 0.0789 0.1544 0.1544 0.3818 0.3818 0.5419 0.5419 0.7202 0.7202 0.8616 0.8616 0.9519 0.9519 0.9565 0.9565 1.1963 1.1963 2.0284 2.0284 2.7905 2.7905 3.0079 3.0079 3.4864 3.4864 3.6841 3.6841 3.9559 3.9559 4.4869 4.4869 4.7798 4.7798 4.8247 4.8247 5.3045 5.3045 5.5875 5.5875 5.6528 5.6528 5.8860 5.8860 5.9456 5.9456 6.0633 6.0633 6.1810 6.1810 6.5636 6.5636 6.6484 6.6484 9.6649 9.6649 10.2691 10.2691 11.1649 11.1649 11.8985 11.8985 12.1671 12.1671 12.8818 12.8818 13.1963 13.1963 13.5040 13.5040 13.5703 13.5703 k = 0.0000 0.0000 0.2784 ( 6880 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5839 -13.5839 -13.4483 -13.4483 -13.4473 -13.4473 -13.3618 -13.3618 -13.3510 -13.3510 -11.1680 -11.1680 -10.1346 -10.1346 -9.2069 -9.2069 -9.0416 -9.0416 -7.0122 -7.0122 -6.8066 -6.8066 -1.9732 -1.9732 -0.6999 -0.6999 -0.0543 -0.0543 0.0788 0.0788 0.1542 0.1542 0.3818 0.3818 0.5420 0.5420 0.7199 0.7199 0.8617 0.8617 0.9523 0.9523 0.9563 0.9563 1.1964 1.1964 2.0288 2.0288 2.7901 2.7901 3.0060 3.0060 3.4864 3.4864 3.6861 3.6861 3.9516 3.9516 4.4945 4.4945 4.7719 4.7719 4.8245 4.8245 5.3101 5.3101 5.5848 5.5848 5.6516 5.6516 5.8865 5.8865 5.9459 5.9459 6.0629 6.0629 6.1838 6.1838 6.5659 6.5659 6.6465 6.6465 9.6626 9.6626 10.2707 10.2707 11.1669 11.1669 11.8969 11.8969 12.1666 12.1666 12.8905 12.8905 13.1877 13.1877 13.5051 13.5051 13.5677 13.5677 k = 0.0000 0.0000 0.2784 ( 6880 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5839 -13.5839 -13.4483 -13.4483 -13.4473 -13.4473 -13.3618 -13.3618 -13.3510 -13.3510 -11.1680 -11.1680 -10.1346 -10.1346 -9.2069 -9.2069 -9.0416 -9.0416 -7.0122 -7.0122 -6.8066 -6.8066 -1.9732 -1.9732 -0.6999 -0.6999 -0.0543 -0.0543 0.0788 0.0788 0.1542 0.1542 0.3818 0.3818 0.5420 0.5420 0.7199 0.7199 0.8617 0.8617 0.9523 0.9523 0.9563 0.9563 1.1964 1.1964 2.0288 2.0288 2.7901 2.7901 3.0060 3.0060 3.4864 3.4864 3.6861 3.6861 3.9516 3.9516 4.4945 4.4945 4.7719 4.7719 4.8245 4.8245 5.3101 5.3101 5.5848 5.5848 5.6516 5.6516 5.8865 5.8865 5.9459 5.9459 6.0629 6.0629 6.1838 6.1838 6.5659 6.5659 6.6465 6.6465 9.6626 9.6626 10.2707 10.2707 11.1669 11.1669 11.8969 11.8969 12.1666 12.1666 12.8905 12.8905 13.1877 13.1877 13.5051 13.5051 13.5677 13.5677 k = 0.0000 0.0130 0.2784 ( 6873 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5839 -13.5839 -13.4483 -13.4483 -13.4473 -13.4473 -13.3618 -13.3618 -13.3510 -13.3510 -11.1680 -11.1680 -10.1345 -10.1345 -9.2069 -9.2069 -9.0415 -9.0415 -7.0123 -7.0123 -6.8065 -6.8065 -1.9736 -1.9736 -0.7000 -0.7000 -0.0542 -0.0542 0.0788 0.0788 0.1544 0.1544 0.3817 0.3817 0.5420 0.5420 0.7200 0.7200 0.8618 0.8618 0.9521 0.9521 0.9565 0.9565 1.1966 1.1966 2.0289 2.0289 2.7906 2.7906 3.0076 3.0076 3.4867 3.4867 3.6793 3.6793 3.9577 3.9577 4.4941 4.4941 4.7742 4.7742 4.8250 4.8250 5.3090 5.3090 5.5843 5.5843 5.6515 5.6515 5.8837 5.8837 5.9434 5.9434 6.0642 6.0642 6.1839 6.1839 6.5643 6.5643 6.6472 6.6472 9.6659 9.6659 10.2712 10.2712 11.1660 11.1660 11.8964 11.8964 12.1681 12.1681 12.8914 12.8914 13.1894 13.1894 13.4901 13.4901 13.5842 13.5842 k = 0.0000 0.0260 0.2784 ( 6879 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3551 -16.3551 -13.6481 -13.6481 -13.5839 -13.5839 -13.4483 -13.4483 -13.4472 -13.4472 -13.3618 -13.3618 -13.3511 -13.3511 -11.1679 -11.1679 -10.1343 -10.1343 -9.2072 -9.2072 -9.0414 -9.0414 -7.0128 -7.0128 -6.8064 -6.8064 -1.9748 -1.9748 -0.7001 -0.7001 -0.0538 -0.0538 0.0786 0.0786 0.1547 0.1547 0.3814 0.3814 0.5421 0.5421 0.7201 0.7201 0.8622 0.8622 0.9516 0.9516 0.9570 0.9570 1.1967 1.1967 2.0294 2.0294 2.7919 2.7919 3.0125 3.0125 3.4878 3.4878 3.6610 3.6610 3.9741 3.9741 4.4930 4.4930 4.7810 4.7810 4.8265 4.8265 5.3056 5.3056 5.5829 5.5829 5.6513 5.6513 5.8759 5.8759 5.9364 5.9364 6.0677 6.0677 6.1840 6.1840 6.5596 6.5596 6.6489 6.6489 9.6757 9.6757 10.2725 10.2725 11.1631 11.1631 11.8952 11.8952 12.1723 12.1723 12.8941 12.8941 13.1947 13.1947 13.4626 13.4626 13.6162 13.6162 k = 0.0000 0.0390 0.2784 ( 6876 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3551 -16.3551 -13.6481 -13.6481 -13.5839 -13.5839 -13.4484 -13.4484 -13.4472 -13.4472 -13.3618 -13.3618 -13.3511 -13.3511 -11.1678 -11.1678 -10.1339 -10.1339 -9.2076 -9.2076 -9.0412 -9.0412 -7.0136 -7.0136 -6.8062 -6.8062 -1.9768 -1.9768 -0.7004 -0.7004 -0.0531 -0.0531 0.0782 0.0782 0.1553 0.1553 0.3809 0.3809 0.5423 0.5423 0.7204 0.7204 0.8630 0.8630 0.9509 0.9509 0.9577 0.9577 1.1969 1.1969 2.0301 2.0301 2.7942 2.7942 3.0202 3.0202 3.4895 3.4895 3.6351 3.6351 3.9966 3.9966 4.4915 4.4915 4.7921 4.7921 4.8292 4.8292 5.3002 5.3002 5.5799 5.5799 5.6508 5.6508 5.8639 5.8639 5.9256 5.9256 6.0728 6.0728 6.1837 6.1837 6.5523 6.5523 6.6513 6.6513 9.6919 9.6919 10.2746 10.2746 11.1587 11.1587 11.8932 11.8932 12.1791 12.1791 12.8986 12.8986 13.2035 13.2035 13.4335 13.4335 13.6526 13.6526 k = 0.0000 0.0520 0.2784 ( 6872 PWs) bands (ev): -16.4222 -16.4222 -16.3874 -16.3874 -16.3809 -16.3809 -16.3551 -16.3551 -13.6481 -13.6481 -13.5839 -13.5839 -13.4484 -13.4484 -13.4471 -13.4471 -13.3617 -13.3617 -13.3512 -13.3512 -11.1676 -11.1676 -10.1334 -10.1334 -9.2082 -9.2082 -9.0409 -9.0409 -7.0147 -7.0147 -6.8060 -6.8060 -1.9796 -1.9796 -0.7008 -0.7008 -0.0522 -0.0522 0.0778 0.0778 0.1560 0.1560 0.3803 0.3803 0.5424 0.5424 0.7207 0.7207 0.8639 0.8639 0.9502 0.9502 0.9584 0.9584 1.1973 1.1973 2.0312 2.0312 2.7978 2.7978 3.0306 3.0306 3.4915 3.4915 3.6057 3.6057 4.0216 4.0216 4.4900 4.4900 4.8064 4.8064 4.8339 4.8339 5.2929 5.2929 5.5745 5.5745 5.6501 5.6501 5.8495 5.8495 5.9117 5.9117 6.0787 6.0787 6.1825 6.1825 6.5429 6.5429 6.6540 6.6540 9.7140 9.7140 10.2775 10.2775 11.1531 11.1531 11.8904 11.8904 12.1881 12.1881 12.9046 12.9046 13.2160 13.2160 13.4052 13.4052 13.6912 13.6912 k = 0.0000 0.0650 0.2784 ( 6863 PWs) bands (ev): -16.4222 -16.4222 -16.3874 -16.3874 -16.3809 -16.3809 -16.3552 -16.3552 -13.6481 -13.6481 -13.5839 -13.5839 -13.4485 -13.4485 -13.4470 -13.4470 -13.3616 -13.3616 -13.3513 -13.3513 -11.1673 -11.1673 -10.1327 -10.1327 -9.2089 -9.2089 -9.0406 -9.0406 -7.0160 -7.0160 -6.8057 -6.8057 -1.9831 -1.9831 -0.7013 -0.7013 -0.0510 -0.0510 0.0772 0.0772 0.1569 0.1569 0.3796 0.3796 0.5426 0.5426 0.7212 0.7212 0.8650 0.8650 0.9494 0.9494 0.9592 0.9592 1.1978 1.1978 2.0325 2.0325 2.8028 2.8028 3.0431 3.0431 3.4928 3.4928 3.5760 3.5760 4.0462 4.0462 4.4892 4.4892 4.8213 4.8213 4.8429 4.8429 5.2839 5.2839 5.5654 5.5654 5.6492 5.6492 5.8345 5.8345 5.8953 5.8953 6.0848 6.0848 6.1799 6.1799 6.5316 6.5316 6.6566 6.6566 9.7416 9.7416 10.2810 10.2810 11.1469 11.1469 11.8868 11.8868 12.1990 12.1990 12.9120 12.9120 13.2322 13.2322 13.3782 13.3782 13.7313 13.7313 k = 0.0000 0.0780 0.2784 ( 6864 PWs) bands (ev): -16.4222 -16.4222 -16.3873 -16.3873 -16.3808 -16.3808 -16.3552 -16.3552 -13.6481 -13.6481 -13.5838 -13.5838 -13.4485 -13.4485 -13.4470 -13.4470 -13.3615 -13.3615 -13.3514 -13.3514 -11.1670 -11.1670 -10.1319 -10.1319 -9.2098 -9.2098 -9.0401 -9.0401 -7.0176 -7.0176 -6.8053 -6.8053 -1.9873 -1.9873 -0.7018 -0.7018 -0.0497 -0.0497 0.0766 0.0766 0.1579 0.1579 0.3789 0.3789 0.5426 0.5426 0.7218 0.7218 0.8662 0.8662 0.9487 0.9487 0.9601 0.9601 1.1984 1.1984 2.0341 2.0341 2.8095 2.8095 3.0572 3.0572 3.4908 3.4908 3.5505 3.5505 4.0685 4.0685 4.4893 4.4893 4.8320 4.8320 4.8608 4.8608 5.2735 5.2735 5.5515 5.5515 5.6484 5.6484 5.8207 5.8207 5.8768 5.8768 6.0907 6.0907 6.1754 6.1754 6.5190 6.5190 6.6589 6.6589 9.7741 9.7741 10.2852 10.2852 11.1406 11.1406 11.8826 11.8826 12.2112 12.2112 12.9204 12.9204 13.2522 13.2522 13.3529 13.3529 13.7724 13.7724 k = 0.0000 0.0910 0.2784 ( 6861 PWs) bands (ev): -16.4223 -16.4223 -16.3872 -16.3872 -16.3808 -16.3808 -16.3553 -16.3553 -13.6482 -13.6482 -13.5838 -13.5838 -13.4486 -13.4486 -13.4469 -13.4469 -13.3614 -13.3614 -13.3515 -13.3515 -11.1667 -11.1667 -10.1310 -10.1310 -9.2108 -9.2108 -9.0396 -9.0396 -7.0194 -7.0194 -6.8049 -6.8049 -1.9921 -1.9921 -0.7022 -0.7022 -0.0484 -0.0484 0.0759 0.0759 0.1588 0.1588 0.3781 0.3781 0.5426 0.5426 0.7226 0.7226 0.8675 0.8675 0.9480 0.9480 0.9610 0.9610 1.1991 1.1991 2.0359 2.0359 2.8179 2.8179 3.0723 3.0723 3.4796 3.4796 3.5363 3.5363 4.0872 4.0872 4.4910 4.4910 4.8398 4.8398 4.8860 4.8860 5.2621 5.2621 5.5317 5.5317 5.6480 5.6480 5.8092 5.8092 5.8566 5.8566 6.0962 6.0962 6.1687 6.1687 6.5052 6.5052 6.6608 6.6608 9.8107 9.8107 10.2900 10.2900 11.1349 11.1349 11.8778 11.8778 12.2242 12.2242 12.9295 12.9295 13.2757 13.2757 13.3301 13.3301 13.8144 13.8144 k = 0.0000 0.1040 0.2784 ( 6867 PWs) bands (ev): -16.4223 -16.4223 -16.3872 -16.3872 -16.3808 -16.3808 -16.3554 -16.3554 -13.6482 -13.6482 -13.5838 -13.5838 -13.4486 -13.4486 -13.4468 -13.4468 -13.3613 -13.3613 -13.3517 -13.3517 -11.1663 -11.1663 -10.1300 -10.1300 -9.2120 -9.2120 -9.0390 -9.0390 -7.0214 -7.0214 -6.8044 -6.8044 -1.9975 -1.9975 -0.7027 -0.7027 -0.0471 -0.0471 0.0752 0.0752 0.1598 0.1598 0.3775 0.3775 0.5423 0.5423 0.7236 0.7236 0.8687 0.8687 0.9472 0.9472 0.9619 0.9619 1.2000 1.2000 2.0379 2.0379 2.8281 2.8281 3.0877 3.0877 3.4587 3.4587 3.5347 3.5347 4.1015 4.1015 4.4944 4.4944 4.8473 4.8473 4.9157 4.9157 5.2497 5.2497 5.5060 5.5060 5.6481 5.6481 5.8005 5.8005 5.8352 5.8352 6.1011 6.1011 6.1598 6.1598 6.4906 6.4906 6.6621 6.6621 9.8503 9.8503 10.2957 10.2957 11.1305 11.1305 11.8725 11.8725 12.2374 12.2374 12.9389 12.9389 13.2944 13.2944 13.3181 13.3181 13.8570 13.8570 k = 0.0000 0.1170 0.2784 ( 6871 PWs) bands (ev): -16.4223 -16.4223 -16.3871 -16.3871 -16.3808 -16.3808 -16.3554 -16.3554 -13.6482 -13.6482 -13.5838 -13.5838 -13.4486 -13.4486 -13.4468 -13.4468 -13.3612 -13.3612 -13.3519 -13.3519 -11.1660 -11.1660 -10.1288 -10.1288 -9.2133 -9.2133 -9.0384 -9.0384 -7.0236 -7.0236 -6.8040 -6.8040 -2.0034 -2.0034 -0.7030 -0.7030 -0.0458 -0.0458 0.0746 0.0746 0.1606 0.1606 0.3770 0.3770 0.5419 0.5419 0.7246 0.7246 0.8699 0.8699 0.9466 0.9466 0.9629 0.9629 1.2011 1.2011 2.0402 2.0402 2.8403 2.8403 3.1025 3.1025 3.4354 3.4354 3.5397 3.5397 4.1108 4.1108 4.4996 4.4996 4.8554 4.8554 4.9485 4.9485 5.2367 5.2367 5.4752 5.4752 5.6488 5.6488 5.7934 5.7934 5.8136 5.8136 6.1052 6.1052 6.1486 6.1486 6.4755 6.4755 6.6629 6.6629 9.8916 9.8916 10.3027 10.3027 11.1279 11.1279 11.8668 11.8668 12.2504 12.2504 12.9481 12.9481 13.2820 13.2820 13.3434 13.3434 13.8999 13.8999 k = 0.0000 0.1300 0.2784 ( 6869 PWs) bands (ev): -16.4223 -16.4223 -16.3870 -16.3870 -16.3808 -16.3808 -16.3555 -16.3555 -13.6482 -13.6482 -13.5838 -13.5838 -13.4487 -13.4487 -13.4467 -13.4467 -13.3610 -13.3610 -13.3521 -13.3521 -11.1656 -11.1656 -10.1275 -10.1275 -9.2148 -9.2148 -9.0376 -9.0376 -7.0258 -7.0258 -6.8035 -6.8035 -2.0097 -2.0097 -0.7032 -0.7032 -0.0446 -0.0446 0.0739 0.0739 0.1614 0.1614 0.3766 0.3766 0.5412 0.5412 0.7258 0.7258 0.8711 0.8711 0.9460 0.9460 0.9640 0.9640 1.2022 1.2022 2.0425 2.0425 2.8542 2.8542 3.1161 3.1161 3.4140 3.4140 3.5476 3.5476 4.1149 4.1149 4.5065 4.5065 4.8644 4.8644 4.9837 4.9837 5.2234 5.2234 5.4406 5.4406 5.6498 5.6498 5.7810 5.7810 5.7984 5.7984 6.1080 6.1080 6.1357 6.1357 6.4599 6.4599 6.6630 6.6630 9.9330 9.9330 10.3118 10.3118 11.1276 11.1276 11.8609 11.8609 12.2627 12.2627 12.9568 12.9568 13.2642 13.2642 13.3806 13.3806 13.9430 13.9430 k = 0.0000 0.1430 0.2784 ( 6871 PWs) bands (ev): -16.4223 -16.4223 -16.3869 -16.3869 -16.3808 -16.3808 -16.3556 -16.3556 -13.6482 -13.6482 -13.5838 -13.5838 -13.4487 -13.4487 -13.4466 -13.4466 -13.3609 -13.3609 -13.3523 -13.3523 -11.1652 -11.1652 -10.1261 -10.1261 -9.2164 -9.2164 -9.0368 -9.0368 -7.0282 -7.0282 -6.8031 -6.8031 -2.0163 -2.0163 -0.7032 -0.7032 -0.0436 -0.0436 0.0734 0.0734 0.1619 0.1619 0.3764 0.3764 0.5404 0.5404 0.7271 0.7271 0.8721 0.8721 0.9455 0.9455 0.9650 0.9650 1.2036 1.2036 2.0450 2.0450 2.8699 2.8699 3.1273 3.1273 3.3967 3.3967 3.5576 3.5576 4.1141 4.1141 4.5148 4.5148 4.8744 4.8744 5.0205 5.0205 5.2097 5.2097 5.4038 5.4038 5.6511 5.6511 5.7583 5.7583 5.7939 5.7939 6.1062 6.1062 6.1243 6.1243 6.4442 6.4442 6.6625 6.6625 9.9724 9.9724 10.3243 10.3243 11.1302 11.1302 11.8548 11.8548 12.2740 12.2740 12.9644 12.9644 13.2474 13.2474 13.4230 13.4230 13.9860 13.9860 k = 0.0000 0.1560 0.2784 ( 6875 PWs) bands (ev): -16.4224 -16.4224 -16.3868 -16.3868 -16.3808 -16.3808 -16.3557 -16.3557 -13.6483 -13.6483 -13.5838 -13.5838 -13.4487 -13.4487 -13.4466 -13.4466 -13.3607 -13.3607 -13.3525 -13.3525 -11.1648 -11.1648 -10.1246 -10.1246 -9.2181 -9.2181 -9.0359 -9.0359 -7.0306 -7.0306 -6.8026 -6.8026 -2.0232 -2.0232 -0.7030 -0.7030 -0.0428 -0.0428 0.0730 0.0730 0.1623 0.1623 0.3764 0.3764 0.5393 0.5393 0.7285 0.7285 0.8731 0.8731 0.9450 0.9450 0.9661 0.9661 1.2050 1.2050 2.0476 2.0476 2.8871 2.8871 3.1354 3.1354 3.3847 3.3847 3.5690 3.5690 4.1086 4.1086 4.5242 4.5242 4.8854 4.8854 5.0579 5.0579 5.1962 5.1962 5.3664 5.3664 5.6525 5.6525 5.7327 5.7327 5.7922 5.7922 6.0934 6.0934 6.1214 6.1214 6.4286 6.4286 6.6614 6.6614 10.0075 10.0075 10.3418 10.3418 11.1358 11.1358 11.8487 11.8487 12.2838 12.2838 12.9706 12.9706 13.2321 13.2321 13.4702 13.4702 14.0286 14.0286 k = 0.0000 0.1690 0.2784 ( 6873 PWs) bands (ev): -16.4224 -16.4224 -16.3867 -16.3867 -16.3808 -16.3808 -16.3558 -16.3558 -13.6483 -13.6483 -13.5838 -13.5838 -13.4487 -13.4487 -13.4465 -13.4465 -13.3605 -13.3605 -13.3528 -13.3528 -11.1644 -11.1644 -10.1231 -10.1231 -9.2200 -9.2200 -9.0350 -9.0350 -7.0330 -7.0330 -6.8022 -6.8022 -2.0303 -2.0303 -0.7025 -0.7025 -0.0423 -0.0423 0.0727 0.0727 0.1625 0.1625 0.3766 0.3766 0.5380 0.5380 0.7299 0.7299 0.8740 0.8740 0.9445 0.9445 0.9672 0.9672 1.2066 1.2066 2.0502 2.0502 2.9056 2.9056 3.1397 3.1397 3.3787 3.3787 3.5819 3.5819 4.0986 4.0986 4.5345 4.5345 4.8975 4.8975 5.0941 5.0941 5.1835 5.1835 5.3304 5.3304 5.6534 5.6534 5.7064 5.7064 5.7911 5.7911 6.0741 6.0741 6.1224 6.1224 6.4133 6.4133 6.6599 6.6599 10.0359 10.0359 10.3659 10.3659 11.1448 11.1448 11.8427 11.8427 12.2920 12.2920 12.9751 12.9751 13.2186 13.2186 13.5217 13.5217 14.0707 14.0707 k = 0.0000 0.1820 0.2784 ( 6863 PWs) bands (ev): -16.4224 -16.4224 -16.3866 -16.3866 -16.3807 -16.3807 -16.3559 -16.3559 -13.6483 -13.6483 -13.5838 -13.5838 -13.4487 -13.4487 -13.4465 -13.4465 -13.3603 -13.3603 -13.3530 -13.3530 -11.1640 -11.1640 -10.1214 -10.1214 -9.2220 -9.2220 -9.0340 -9.0340 -7.0354 -7.0354 -6.8018 -6.8018 -2.0375 -2.0375 -0.7018 -0.7018 -0.0420 -0.0420 0.0726 0.0726 0.1625 0.1625 0.3771 0.3771 0.5367 0.5367 0.7314 0.7314 0.8749 0.8749 0.9441 0.9441 0.9683 0.9683 1.2082 1.2082 2.0528 2.0528 2.9250 2.9250 3.1403 3.1403 3.3790 3.3790 3.5960 3.5960 4.0845 4.0845 4.5455 4.5455 4.9103 4.9103 5.1230 5.1230 5.1760 5.1760 5.2979 5.2979 5.6524 5.6524 5.6812 5.6812 5.7897 5.7897 6.0523 6.0523 6.1240 6.1240 6.3985 6.3985 6.6578 6.6578 10.0564 10.0564 10.3972 10.3972 11.1570 11.1570 11.8369 11.8369 12.2982 12.2982 12.9775 12.9775 13.2067 13.2067 13.5771 13.5771 14.1121 14.1121 k = 0.0000 0.1950 0.2784 ( 6866 PWs) bands (ev): -16.4224 -16.4224 -16.3865 -16.3865 -16.3807 -16.3807 -16.3560 -16.3560 -13.6483 -13.6483 -13.5838 -13.5838 -13.4487 -13.4487 -13.4464 -13.4464 -13.3601 -13.3601 -13.3533 -13.3533 -11.1637 -11.1637 -10.1197 -10.1197 -9.2241 -9.2241 -9.0329 -9.0329 -7.0378 -7.0378 -6.8014 -6.8014 -2.0447 -2.0447 -0.7007 -0.7007 -0.0420 -0.0420 0.0727 0.0727 0.1623 0.1623 0.3777 0.3777 0.5351 0.5351 0.7327 0.7327 0.8756 0.8756 0.9437 0.9437 0.9692 0.9692 1.2099 1.2099 2.0553 2.0553 2.9448 2.9448 3.1379 3.1379 3.3847 3.3847 3.6113 3.6113 4.0665 4.0665 4.5570 4.5570 4.9239 4.9239 5.1280 5.1280 5.1867 5.1867 5.2729 5.2729 5.6403 5.6403 5.6664 5.6664 5.7875 5.7875 6.0289 6.0289 6.1255 6.1255 6.3842 6.3842 6.6554 6.6554 10.0689 10.0689 10.4351 10.4351 11.1726 11.1726 11.8314 11.8314 12.3024 12.3024 12.9779 12.9779 13.1965 13.1965 13.6361 13.6361 14.1524 14.1524 k = 0.0000 0.2080 0.2784 ( 6875 PWs) bands (ev): -16.4224 -16.4224 -16.3864 -16.3864 -16.3807 -16.3807 -16.3561 -16.3561 -13.6484 -13.6484 -13.5838 -13.5838 -13.4487 -13.4487 -13.4464 -13.4464 -13.3599 -13.3599 -13.3535 -13.3535 -11.1634 -11.1634 -10.1180 -10.1180 -9.2263 -9.2263 -9.0317 -9.0317 -7.0400 -7.0400 -6.8010 -6.8010 -2.0519 -2.0519 -0.6992 -0.6992 -0.0423 -0.0423 0.0729 0.0729 0.1619 0.1619 0.3783 0.3783 0.5334 0.5334 0.7340 0.7340 0.8763 0.8763 0.9432 0.9432 0.9700 0.9700 1.2116 1.2116 2.0577 2.0577 2.9647 2.9647 3.1338 3.1338 3.3949 3.3949 3.6279 3.6279 4.0450 4.0450 4.5692 4.5692 4.9375 4.9375 5.1138 5.1138 5.2019 5.2019 5.2651 5.2651 5.6151 5.6151 5.6643 5.6643 5.7839 5.7839 6.0047 6.0047 6.1269 6.1269 6.3708 6.3708 6.6528 6.6528 10.0747 10.0747 10.4777 10.4777 11.1913 11.1913 11.8263 11.8263 12.3043 12.3043 12.9762 12.9762 13.1880 13.1880 13.6979 13.6979 14.1916 14.1916 k = 0.0000 0.2210 0.2784 ( 6885 PWs) bands (ev): -16.4225 -16.4225 -16.3863 -16.3863 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5838 -13.5838 -13.4487 -13.4487 -13.4463 -13.4463 -13.3596 -13.3596 -13.3538 -13.3538 -11.1632 -11.1632 -10.1161 -10.1161 -9.2286 -9.2286 -9.0305 -9.0305 -7.0422 -7.0422 -6.8007 -6.8007 -2.0589 -2.0589 -0.6974 -0.6974 -0.0428 -0.0428 0.0732 0.0732 0.1612 0.1612 0.3791 0.3791 0.5317 0.5317 0.7351 0.7351 0.8769 0.8769 0.9428 0.9428 0.9706 0.9706 1.2133 1.2133 2.0600 2.0600 2.9841 2.9841 3.1292 3.1292 3.4083 3.4083 3.6456 3.6456 4.0201 4.0201 4.5820 4.5820 4.9501 4.9501 5.0946 5.0946 5.2000 5.2000 5.2825 5.2825 5.5868 5.5868 5.6649 5.6649 5.7787 5.7787 5.9803 5.9803 6.1280 6.1280 6.3584 6.3584 6.6499 6.6499 10.0755 10.0755 10.5229 10.5229 11.2130 11.2130 11.8218 11.8218 12.3038 12.3038 12.9727 12.9727 13.1810 13.1810 13.7618 13.7618 14.2294 14.2294 k = 0.0000 0.2340 0.2784 ( 6883 PWs) bands (ev): -16.4225 -16.4225 -16.3863 -16.3863 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5838 -13.5838 -13.4487 -13.4487 -13.4463 -13.4463 -13.3594 -13.3594 -13.3541 -13.3541 -11.1630 -11.1630 -10.1143 -10.1143 -9.2309 -9.2309 -9.0292 -9.0292 -7.0442 -7.0442 -6.8004 -6.8004 -2.0657 -2.0657 -0.6952 -0.6952 -0.0435 -0.0435 0.0737 0.0737 0.1605 0.1605 0.3800 0.3800 0.5300 0.5300 0.7362 0.7362 0.8774 0.8774 0.9423 0.9423 0.9711 0.9711 1.2150 1.2150 2.0621 2.0621 3.0024 3.0024 3.1252 3.1252 3.4239 3.4239 3.6645 3.6645 3.9923 3.9923 4.5956 4.5956 4.9597 4.9597 5.0765 5.0765 5.1915 5.1915 5.3104 5.3104 5.5580 5.5580 5.6659 5.6659 5.7714 5.7714 5.9566 5.9566 6.1289 6.1289 6.3470 6.3470 6.6470 6.6470 10.0728 10.0728 10.5682 10.5682 11.2373 11.2373 11.8178 11.8178 12.3008 12.3008 12.9676 12.9676 13.1754 13.1754 13.8271 13.8271 14.2658 14.2658 k = 0.0000 0.2470 0.2784 ( 6875 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3563 -16.3563 -13.6484 -13.6484 -13.5838 -13.5838 -13.4486 -13.4486 -13.4463 -13.4463 -13.3591 -13.3591 -13.3544 -13.3544 -11.1629 -11.1629 -10.1124 -10.1124 -9.2334 -9.2334 -9.0279 -9.0279 -7.0460 -7.0460 -6.8002 -6.8002 -2.0723 -2.0723 -0.6926 -0.6926 -0.0443 -0.0443 0.0743 0.0743 0.1598 0.1598 0.3809 0.3809 0.5283 0.5283 0.7371 0.7371 0.8780 0.8780 0.9419 0.9419 0.9714 0.9714 1.2166 1.2166 2.0640 2.0640 3.0191 3.0191 3.1226 3.1226 3.4408 3.4408 3.6846 3.6846 3.9620 3.9620 4.6098 4.6098 4.9621 4.9621 5.0654 5.0654 5.1838 5.1838 5.3390 5.3390 5.5294 5.5294 5.6670 5.6670 5.7617 5.7617 5.9341 5.9341 6.1297 6.1297 6.3370 6.3370 6.6440 6.6440 10.0679 10.0679 10.6120 10.6120 11.2640 11.2640 11.8147 11.8147 12.2954 12.2954 12.9615 12.9615 13.1710 13.1710 13.8927 13.8927 14.3006 14.3006 k = 0.0000 0.2600 0.2784 ( 6869 PWs) bands (ev): -16.4225 -16.4225 -16.3861 -16.3861 -16.3806 -16.3806 -16.3564 -16.3564 -13.6484 -13.6484 -13.5838 -13.5838 -13.4486 -13.4486 -13.4463 -13.4463 -13.3589 -13.3589 -13.3547 -13.3547 -11.1629 -11.1629 -10.1104 -10.1104 -9.2360 -9.2360 -9.0265 -9.0265 -7.0476 -7.0476 -6.8000 -6.8000 -2.0786 -2.0786 -0.6896 -0.6896 -0.0452 -0.0452 0.0749 0.0749 0.1590 0.1590 0.3817 0.3817 0.5267 0.5267 0.7378 0.7378 0.8784 0.8784 0.9413 0.9413 0.9715 0.9715 1.2181 1.2181 2.0656 2.0656 3.0336 3.0336 3.1221 3.1221 3.4582 3.4582 3.7060 3.7060 3.9298 3.9298 4.6244 4.6244 4.9545 4.9545 5.0654 5.0654 5.1779 5.1779 5.3648 5.3648 5.5014 5.5014 5.6679 5.6679 5.7494 5.7494 5.9138 5.9138 6.1305 6.1305 6.3285 6.3285 6.6411 6.6411 10.0619 10.0619 10.6524 10.6524 11.2926 11.2926 11.8124 11.8124 12.2874 12.2874 12.9548 12.9548 13.1677 13.1677 13.9573 13.9573 14.3339 14.3339 k = 0.0000 0.2730 0.2784 ( 6868 PWs) bands (ev): -16.4225 -16.4225 -16.3861 -16.3861 -16.3806 -16.3806 -16.3564 -16.3564 -13.6485 -13.6485 -13.5838 -13.5838 -13.4486 -13.4486 -13.4463 -13.4463 -13.3586 -13.3586 -13.3550 -13.3550 -11.1630 -11.1630 -10.1085 -10.1085 -9.2386 -9.2386 -9.0251 -9.0251 -7.0490 -7.0490 -6.7998 -6.7998 -2.0844 -2.0844 -0.6863 -0.6863 -0.0461 -0.0461 0.0755 0.0755 0.1582 0.1582 0.3824 0.3824 0.5252 0.5252 0.7383 0.7383 0.8787 0.8787 0.9407 0.9407 0.9713 0.9713 1.2193 1.2193 2.0670 2.0670 3.0456 3.0456 3.1240 3.1240 3.4752 3.4752 3.7288 3.7288 3.8965 3.8965 4.6391 4.6391 4.9397 4.9397 5.0747 5.0747 5.1736 5.1736 5.3864 5.3864 5.4751 5.4751 5.6688 5.6688 5.7344 5.7344 5.8964 5.8964 6.1311 6.1311 6.3215 6.3215 6.6384 6.6384 10.0554 10.0554 10.6882 10.6882 11.3226 11.3226 11.8111 11.8111 12.2771 12.2771 12.9480 12.9480 13.1652 13.1652 14.0193 14.0193 14.3654 14.3654 k = 0.0000 0.2860 0.2784 ( 6860 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6485 -13.6485 -13.5839 -13.5839 -13.4485 -13.4485 -13.4463 -13.4463 -13.3583 -13.3583 -13.3553 -13.3553 -11.1631 -11.1631 -10.1065 -10.1065 -9.2413 -9.2413 -9.0236 -9.0236 -7.0502 -7.0502 -6.7997 -6.7997 -2.0898 -2.0898 -0.6827 -0.6827 -0.0469 -0.0469 0.0761 0.0761 0.1575 0.1575 0.3830 0.3830 0.5239 0.5239 0.7387 0.7387 0.8789 0.8789 0.9399 0.9399 0.9709 0.9709 1.2204 1.2204 2.0680 2.0680 3.0554 3.0554 3.1281 3.1281 3.4907 3.4907 3.7529 3.7529 3.8632 3.8632 4.6532 4.6532 4.9227 4.9227 5.0887 5.0887 5.1704 5.1704 5.4014 5.4014 5.4527 5.4527 5.6692 5.6692 5.7167 5.7167 5.8824 5.8824 6.1317 6.1317 6.3163 6.3163 6.6359 6.6359 10.0490 10.0490 10.7182 10.7182 11.3534 11.3534 11.8109 11.8109 12.2649 12.2649 12.9416 12.9416 13.1632 13.1632 14.0772 14.0772 14.3948 14.3948 k = 0.0000 0.2990 0.2784 ( 6868 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6485 -13.6485 -13.5839 -13.5839 -13.4485 -13.4485 -13.4462 -13.4462 -13.3581 -13.3581 -13.3556 -13.3556 -11.1634 -11.1634 -10.1045 -10.1045 -9.2441 -9.2441 -9.0221 -9.0221 -7.0512 -7.0512 -6.7996 -6.7996 -2.0946 -2.0946 -0.6788 -0.6788 -0.0476 -0.0476 0.0765 0.0765 0.1568 0.1568 0.3834 0.3834 0.5228 0.5228 0.7388 0.7388 0.8790 0.8790 0.9389 0.9389 0.9703 0.9703 1.2212 1.2212 2.0687 2.0687 3.0632 3.0632 3.1339 3.1339 3.5037 3.5037 3.7781 3.7781 3.8316 3.8316 4.6655 4.6655 4.9075 4.9075 5.1039 5.1039 5.1680 5.1680 5.4033 5.4033 5.4413 5.4413 5.6686 5.6686 5.6971 5.6971 5.8723 5.8723 6.1324 6.1324 6.3128 6.3128 6.6337 6.6337 10.0430 10.0430 10.7418 10.7418 11.3841 11.3841 11.8119 11.8119 12.2511 12.2511 12.9360 12.9360 13.1616 13.1616 14.1292 14.1292 14.4213 14.4213 k = 0.0000 0.2990 0.2784 ( 6868 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6485 -13.6485 -13.5839 -13.5839 -13.4485 -13.4485 -13.4462 -13.4462 -13.3581 -13.3581 -13.3556 -13.3556 -11.1634 -11.1634 -10.1045 -10.1045 -9.2441 -9.2441 -9.0221 -9.0221 -7.0512 -7.0512 -6.7996 -6.7996 -2.0946 -2.0946 -0.6788 -0.6788 -0.0476 -0.0476 0.0765 0.0765 0.1568 0.1568 0.3834 0.3834 0.5228 0.5228 0.7388 0.7388 0.8790 0.8790 0.9389 0.9389 0.9703 0.9703 1.2212 1.2212 2.0687 2.0687 3.0632 3.0632 3.1339 3.1339 3.5037 3.5037 3.7781 3.7781 3.8316 3.8316 4.6655 4.6655 4.9075 4.9075 5.1039 5.1039 5.1680 5.1680 5.4033 5.4033 5.4413 5.4413 5.6686 5.6686 5.6971 5.6971 5.8723 5.8723 6.1324 6.1324 6.3128 6.3128 6.6337 6.6337 10.0430 10.0430 10.7418 10.7418 11.3841 11.3841 11.8119 11.8119 12.2511 12.2511 12.9360 12.9360 13.1616 13.1616 14.1292 14.1292 14.4213 14.4213 k = 0.0000 0.3051 0.2684 ( 6871 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3566 -16.3566 -13.6485 -13.6485 -13.5838 -13.5838 -13.4485 -13.4485 -13.4464 -13.4464 -13.3580 -13.3580 -13.3557 -13.3557 -11.1615 -11.1615 -10.1098 -10.1098 -9.2353 -9.2353 -9.0269 -9.0269 -7.0504 -7.0504 -6.8009 -6.8009 -2.0981 -2.0981 -0.6812 -0.6812 -0.0478 -0.0478 0.0760 0.0760 0.1562 0.1562 0.3846 0.3846 0.5221 0.5221 0.7406 0.7406 0.8792 0.8792 0.9409 0.9409 0.9715 0.9715 1.2280 1.2280 2.0704 2.0704 3.0652 3.0652 3.1331 3.1331 3.5051 3.5051 3.7917 3.7917 3.8313 3.8313 4.6874 4.6874 4.8938 4.8938 5.1066 5.1066 5.1544 5.1544 5.3960 5.3960 5.4374 5.4374 5.6667 5.6667 5.6872 5.6872 5.8572 5.8572 6.1293 6.1293 6.3118 6.3118 6.6300 6.6300 10.0497 10.0497 10.7582 10.7582 11.4164 11.4164 11.8332 11.8332 12.2210 12.2210 12.9373 12.9373 13.1907 13.1907 14.1333 14.1333 14.4281 14.4281 k = 0.0000 0.3112 0.2585 ( 6865 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3566 -16.3566 -13.6485 -13.6485 -13.5838 -13.5838 -13.4484 -13.4484 -13.4466 -13.4466 -13.3579 -13.3579 -13.3558 -13.3558 -11.1600 -11.1600 -10.1144 -10.1144 -9.2275 -9.2275 -9.0314 -9.0314 -7.0496 -7.0496 -6.8021 -6.8021 -2.1012 -2.1012 -0.6834 -0.6834 -0.0480 -0.0480 0.0755 0.0755 0.1557 0.1557 0.3856 0.3856 0.5216 0.5216 0.7422 0.7422 0.8795 0.8795 0.9426 0.9426 0.9725 0.9725 1.2341 1.2341 2.0719 2.0719 3.0670 3.0670 3.1325 3.1325 3.5060 3.5060 3.8016 3.8016 3.8346 3.8346 4.7021 4.7021 4.8890 4.8890 5.0999 5.0999 5.1484 5.1484 5.3892 5.3892 5.4345 5.4345 5.6630 5.6630 5.6791 5.6791 5.8445 5.8445 6.1266 6.1266 6.3110 6.3110 6.6270 6.6270 10.0557 10.0557 10.7720 10.7720 11.4456 11.4456 11.8569 11.8569 12.1889 12.1889 12.9385 12.9385 13.2171 13.2171 14.1391 14.1391 14.4325 14.4325 k = 0.0000 0.3173 0.2485 ( 6863 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3566 -16.3566 -13.6485 -13.6485 -13.5837 -13.5837 -13.4483 -13.4483 -13.4467 -13.4467 -13.3578 -13.3578 -13.3559 -13.3559 -11.1586 -11.1586 -10.1181 -10.1181 -9.2207 -9.2207 -9.0355 -9.0355 -7.0490 -7.0490 -6.8030 -6.8030 -2.1038 -2.1038 -0.6851 -0.6851 -0.0481 -0.0481 0.0751 0.0751 0.1553 0.1553 0.3864 0.3864 0.5212 0.5212 0.7435 0.7435 0.8798 0.8798 0.9441 0.9441 0.9732 0.9732 1.2392 1.2392 2.0731 2.0731 3.0687 3.0687 3.1321 3.1321 3.5067 3.5067 3.8070 3.8070 3.8413 3.8413 4.7087 4.7087 4.8948 4.8948 5.0837 5.0837 5.1498 5.1498 5.3829 5.3829 5.4326 5.4326 5.6562 5.6562 5.6746 5.6746 5.8342 5.8342 6.1243 6.1243 6.3102 6.3102 6.6245 6.6245 10.0608 10.0608 10.7831 10.7831 11.4708 11.4708 11.8831 11.8831 12.1553 12.1553 12.9394 12.9394 13.2399 13.2399 14.1462 14.1462 14.4339 14.4339 k = 0.0000 0.3233 0.2386 ( 6866 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3566 -16.3566 -13.6485 -13.6485 -13.5837 -13.5837 -13.4483 -13.4483 -13.4468 -13.4468 -13.3577 -13.3577 -13.3560 -13.3560 -11.1576 -11.1576 -10.1211 -10.1211 -9.2152 -9.2152 -9.0388 -9.0388 -7.0485 -7.0485 -6.8038 -6.8038 -2.1058 -2.1058 -0.6866 -0.6866 -0.0482 -0.0482 0.0747 0.0747 0.1550 0.1550 0.3870 0.3870 0.5208 0.5208 0.7445 0.7445 0.8800 0.8800 0.9452 0.9452 0.9738 0.9738 1.2434 1.2434 2.0740 2.0740 3.0701 3.0701 3.1317 3.1317 3.5071 3.5071 3.8094 3.8094 3.8492 3.8492 4.7087 4.7087 4.9099 4.9099 5.0624 5.0624 5.1538 5.1538 5.3775 5.3775 5.4315 5.4315 5.6482 5.6482 5.6726 5.6726 5.8265 5.8265 6.1225 6.1225 6.3096 6.3096 6.6226 6.6226 10.0650 10.0650 10.7916 10.7916 11.4912 11.4912 11.9118 11.9118 12.1204 12.1204 12.9402 12.9402 13.2585 13.2585 14.1539 14.1539 14.4323 14.4323 k = 0.0000 0.3294 0.2286 ( 6871 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3566 -16.3566 -13.6485 -13.6485 -13.5837 -13.5837 -13.4482 -13.4482 -13.4469 -13.4469 -13.3576 -13.3576 -13.3561 -13.3561 -11.1568 -11.1568 -10.1232 -10.1232 -9.2111 -9.2111 -9.0414 -9.0414 -7.0481 -7.0481 -6.8044 -6.8044 -2.1073 -2.1073 -0.6876 -0.6876 -0.0483 -0.0483 0.0745 0.0745 0.1548 0.1548 0.3874 0.3874 0.5205 0.5205 0.7452 0.7452 0.8800 0.8800 0.9460 0.9460 0.9741 0.9741 1.2465 1.2465 2.0746 2.0746 3.0712 3.0712 3.1314 3.1314 3.5073 3.5073 3.8105 3.8105 3.8560 3.8560 4.7058 4.7058 4.9311 4.9311 5.0388 5.0388 5.1576 5.1576 5.3733 5.3733 5.4310 5.4310 5.6412 5.6412 5.6717 5.6717 5.8211 5.8211 6.1211 6.1211 6.3091 6.3091 6.6212 6.6212 10.0680 10.0680 10.7977 10.7977 11.5062 11.5062 11.9427 11.9427 12.0848 12.0848 12.9407 12.9407 13.2722 13.2722 14.1610 14.1610 14.4289 14.4289 k = 0.0000 0.3355 0.2187 ( 6868 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3566 -16.3566 -13.6485 -13.6485 -13.5837 -13.5837 -13.4482 -13.4482 -13.4469 -13.4469 -13.3575 -13.3575 -13.3561 -13.3561 -11.1564 -11.1564 -10.1245 -10.1245 -9.2085 -9.2085 -9.0430 -9.0430 -7.0479 -7.0479 -6.8047 -6.8047 -2.1082 -2.1082 -0.6882 -0.6882 -0.0484 -0.0484 0.0744 0.0744 0.1547 0.1547 0.3877 0.3877 0.5204 0.5204 0.7457 0.7457 0.8801 0.8801 0.9465 0.9465 0.9743 0.9743 1.2483 1.2483 2.0750 2.0750 3.0719 3.0719 3.1313 3.1313 3.5074 3.5074 3.8110 3.8110 3.8605 3.8605 4.7029 4.7029 4.9545 4.9545 5.0147 5.0147 5.1602 5.1602 5.3707 5.3707 5.4308 5.4308 5.6365 5.6365 5.6713 5.6713 5.8179 5.8179 6.1203 6.1203 6.3089 6.3089 6.6204 6.6204 10.0698 10.0698 10.8014 10.8014 11.5152 11.5152 11.9752 11.9752 12.0495 12.0495 12.9411 12.9411 13.2806 13.2806 14.1661 14.1661 14.4255 14.4255 k = 0.0000 0.3416 0.2087 ( 6866 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3567 -16.3567 -13.6485 -13.6485 -13.5837 -13.5837 -13.4482 -13.4482 -13.4470 -13.4470 -13.3575 -13.3575 -13.3561 -13.3561 -11.1562 -11.1562 -10.1249 -10.1249 -9.2077 -9.2077 -9.0435 -9.0435 -7.0478 -7.0478 -6.8049 -6.8049 -2.1085 -2.1085 -0.6884 -0.6884 -0.0484 -0.0484 0.0743 0.0743 0.1546 0.1546 0.3878 0.3878 0.5203 0.5203 0.7458 0.7458 0.8802 0.8802 0.9467 0.9467 0.9744 0.9744 1.2490 1.2490 2.0752 2.0752 3.0722 3.0722 3.1312 3.1312 3.5074 3.5074 3.8111 3.8111 3.8621 3.8621 4.7018 4.7018 4.9704 4.9704 4.9987 4.9987 5.1611 5.1611 5.3698 5.3698 5.4308 5.4308 5.6349 5.6349 5.6712 5.6712 5.8169 5.8169 6.1201 6.1201 6.3088 6.3088 6.6201 6.6201 10.0704 10.0704 10.8026 10.8026 11.5183 11.5183 12.0004 12.0004 12.0234 12.0234 12.9412 12.9412 13.2834 13.2834 14.1680 14.1680 14.4241 14.4241 k = 0.0000 0.3416 0.2087 ( 6866 PWs) bands (ev): -16.4225 -16.4225 -16.3859 -16.3859 -16.3806 -16.3806 -16.3567 -16.3567 -13.6485 -13.6485 -13.5837 -13.5837 -13.4482 -13.4482 -13.4470 -13.4470 -13.3575 -13.3575 -13.3561 -13.3561 -11.1562 -11.1562 -10.1249 -10.1249 -9.2077 -9.2077 -9.0435 -9.0435 -7.0478 -7.0478 -6.8049 -6.8049 -2.1085 -2.1085 -0.6884 -0.6884 -0.0484 -0.0484 0.0743 0.0743 0.1546 0.1546 0.3878 0.3878 0.5203 0.5203 0.7458 0.7458 0.8802 0.8802 0.9467 0.9467 0.9744 0.9744 1.2490 1.2490 2.0752 2.0752 3.0722 3.0722 3.1312 3.1312 3.5074 3.5074 3.8111 3.8111 3.8621 3.8621 4.7018 4.7018 4.9704 4.9704 4.9987 4.9987 5.1611 5.1611 5.3698 5.3698 5.4308 5.4308 5.6349 5.6349 5.6712 5.6712 5.8169 5.8169 6.1201 6.1201 6.3088 6.3088 6.6201 6.6201 10.0704 10.0704 10.8026 10.8026 11.5183 11.5183 12.0004 12.0004 12.0234 12.0234 12.9412 12.9412 13.2834 13.2834 14.1680 14.1680 14.4241 14.4241 k = 0.0132 0.3416 0.2087 ( 6864 PWs) bands (ev): -16.4226 -16.4226 -16.3858 -16.3858 -16.3806 -16.3806 -16.3566 -16.3566 -13.6488 -13.6488 -13.5831 -13.5831 -13.4487 -13.4487 -13.4463 -13.4463 -13.3576 -13.3576 -13.3562 -13.3562 -11.1554 -11.1554 -10.1244 -10.1244 -9.2079 -9.2079 -9.0443 -9.0443 -7.0475 -7.0475 -6.8048 -6.8048 -2.1109 -2.1109 -0.6911 -0.6911 -0.0484 -0.0484 0.0739 0.0739 0.1552 0.1552 0.3874 0.3874 0.5203 0.5203 0.7457 0.7457 0.8800 0.8800 0.9462 0.9462 0.9750 0.9750 1.2486 1.2486 2.0770 2.0770 3.0558 3.0558 3.1476 3.1476 3.5123 3.5123 3.8104 3.8104 3.8640 3.8640 4.6959 4.6959 4.9679 4.9679 4.9956 4.9956 5.1627 5.1627 5.3742 5.3742 5.4324 5.4324 5.6326 5.6326 5.6722 5.6722 5.8157 5.8157 6.1238 6.1238 6.3085 6.3085 6.6192 6.6192 10.0707 10.0707 10.8029 10.8029 11.5181 11.5181 11.9909 11.9909 12.0317 12.0317 12.9352 12.9352 13.2907 13.2907 14.1697 14.1697 14.4219 14.4219 k = 0.0263 0.3416 0.2087 ( 6864 PWs) bands (ev): -16.4227 -16.4227 -16.3855 -16.3855 -16.3805 -16.3805 -16.3566 -16.3566 -13.6495 -13.6495 -13.5817 -13.5817 -13.4496 -13.4496 -13.4453 -13.4453 -13.3577 -13.3577 -13.3562 -13.3562 -11.1530 -11.1530 -10.1231 -10.1231 -9.2087 -9.2087 -9.0466 -9.0466 -7.0468 -7.0468 -6.8047 -6.8047 -2.1180 -2.1180 -0.6993 -0.6993 -0.0483 -0.0483 0.0726 0.0726 0.1567 0.1567 0.3865 0.3865 0.5204 0.5204 0.7454 0.7454 0.8795 0.8795 0.9447 0.9447 0.9766 0.9766 1.2474 1.2474 2.0823 2.0823 3.0266 3.0266 3.1769 3.1769 3.5266 3.5266 3.8085 3.8085 3.8699 3.8699 4.6789 4.6789 4.9593 4.9593 4.9884 4.9884 5.1667 5.1667 5.3849 5.3849 5.4394 5.4394 5.6263 5.6263 5.6745 5.6745 5.8127 5.8127 6.1346 6.1346 6.3076 6.3076 6.6164 6.6164 10.0715 10.0715 10.8038 10.8038 11.5177 11.5177 11.9740 11.9740 12.0451 12.0451 12.9189 12.9189 13.3107 13.3107 14.1745 14.1745 14.4154 14.4154 k = 0.0395 0.3416 0.2087 ( 6862 PWs) bands (ev): -16.4229 -16.4229 -16.3850 -16.3850 -16.3803 -16.3803 -16.3566 -16.3566 -13.6507 -13.6507 -13.5793 -13.5793 -13.4505 -13.4505 -13.4441 -13.4441 -13.3580 -13.3580 -13.3563 -13.3563 -11.1490 -11.1490 -10.1208 -10.1208 -9.2101 -9.2101 -9.0503 -9.0503 -7.0457 -7.0457 -6.8045 -6.8045 -2.1297 -2.1297 -0.7129 -0.7129 -0.0481 -0.0481 0.0707 0.0707 0.1590 0.1590 0.3851 0.3851 0.5204 0.5204 0.7449 0.7449 0.8786 0.8786 0.9422 0.9422 0.9792 0.9792 1.2456 1.2456 2.0911 2.0911 2.9964 2.9964 3.2071 3.2071 3.5489 3.5489 3.8056 3.8056 3.8804 3.8804 4.6523 4.6523 4.9425 4.9425 4.9816 4.9816 5.1713 5.1713 5.3947 5.3947 5.4569 5.4569 5.6175 5.6175 5.6770 5.6770 5.8082 5.8082 6.1515 6.1515 6.3062 6.3062 6.6118 6.6118 10.0726 10.0726 10.8052 10.8052 11.5169 11.5169 11.9553 11.9553 12.0584 12.0584 12.8958 12.8958 13.3400 13.3400 14.1815 14.1815 14.4054 14.4054 k = 0.0526 0.3416 0.2087 ( 6860 PWs) bands (ev): -16.4232 -16.4232 -16.3845 -16.3845 -16.3799 -16.3799 -16.3565 -16.3565 -13.6522 -13.6522 -13.5763 -13.5763 -13.4513 -13.4513 -13.4429 -13.4429 -13.3584 -13.3584 -13.3564 -13.3564 -11.1434 -11.1434 -10.1176 -10.1176 -9.2120 -9.2120 -9.0556 -9.0556 -7.0440 -7.0440 -6.8043 -6.8043 -2.1459 -2.1459 -0.7320 -0.7320 -0.0479 -0.0479 0.0684 0.0684 0.1617 0.1617 0.3835 0.3835 0.5204 0.5204 0.7442 0.7442 0.8775 0.8775 0.9387 0.9387 0.9826 0.9826 1.2433 1.2433 2.1034 2.1034 2.9681 2.9681 3.2361 3.2361 3.5768 3.5768 3.8020 3.8020 3.8965 3.8965 4.6180 4.6180 4.9180 4.9180 4.9768 4.9768 5.1747 5.1747 5.3996 5.3996 5.4868 5.4868 5.6073 5.6073 5.6790 5.6790 5.8033 5.8033 6.1734 6.1734 6.3042 6.3042 6.6055 6.6055 10.0741 10.0741 10.8069 10.8069 11.5158 11.5158 11.9358 11.9358 12.0712 12.0712 12.8693 12.8693 13.3750 13.3750 14.1887 14.1887 14.3941 14.3941 k = 0.0658 0.3416 0.2087 ( 6858 PWs) bands (ev): -16.4235 -16.4235 -16.3841 -16.3841 -16.3794 -16.3794 -16.3564 -16.3564 -13.6537 -13.6537 -13.5727 -13.5727 -13.4521 -13.4521 -13.4416 -13.4416 -13.3590 -13.3590 -13.3564 -13.3564 -11.1361 -11.1361 -10.1135 -10.1135 -9.2144 -9.2144 -9.0624 -9.0624 -7.0419 -7.0419 -6.8040 -6.8040 -2.1661 -2.1661 -0.7566 -0.7566 -0.0475 -0.0475 0.0660 0.0660 0.1645 0.1645 0.3818 0.3818 0.5204 0.5204 0.7435 0.7435 0.8763 0.8763 0.9344 0.9344 0.9867 0.9867 1.2407 1.2407 2.1189 2.1189 2.9426 2.9426 3.2632 3.2632 3.6068 3.6068 3.7980 3.7980 3.9200 3.9200 4.5783 4.5783 4.8881 4.8881 4.9735 4.9735 5.1756 5.1756 5.4017 5.4017 5.5238 5.5238 5.5975 5.5975 5.6803 5.6803 5.7985 5.7985 6.1990 6.1990 6.3017 6.3017 6.5974 6.5974 10.0756 10.0756 10.8084 10.8084 11.5144 11.5144 11.9163 11.9163 12.0834 12.0834 12.8418 12.8418 13.4132 13.4132 14.1922 14.1922 14.3854 14.3854 k = 0.0789 0.3416 0.2087 ( 6860 PWs) bands (ev): -16.4238 -16.4238 -16.3837 -16.3837 -16.3786 -16.3786 -16.3563 -16.3563 -13.6553 -13.6553 -13.5686 -13.5686 -13.4529 -13.4529 -13.4402 -13.4402 -13.3598 -13.3598 -13.3564 -13.3564 -11.1273 -11.1273 -10.1086 -10.1086 -9.2174 -9.2174 -9.0707 -9.0707 -7.0394 -7.0394 -6.8037 -6.8037 -2.1901 -2.1901 -0.7868 -0.7868 -0.0471 -0.0471 0.0637 0.0637 0.1671 0.1671 0.3805 0.3805 0.5203 0.5203 0.7426 0.7426 0.8751 0.8751 0.9294 0.9294 0.9914 0.9914 1.2381 1.2381 2.1376 2.1376 2.9201 2.9201 3.2887 3.2887 3.6355 3.6355 3.7937 3.7937 3.9526 3.9526 4.5349 4.5349 4.8547 4.8547 4.9710 4.9710 5.1733 5.1733 5.4033 5.4033 5.5549 5.5549 5.5976 5.5976 5.6806 5.6806 5.7946 5.7946 6.2269 6.2269 6.2989 6.2989 6.5877 6.5877 10.0770 10.0770 10.8095 10.8095 11.5128 11.5128 11.8976 11.8976 12.0951 12.0951 12.8148 12.8148 13.4528 13.4528 14.1871 14.1871 14.3850 14.3850 k = 0.0921 0.3416 0.2087 ( 6862 PWs) bands (ev): -16.4241 -16.4241 -16.3834 -16.3834 -16.3775 -16.3775 -16.3561 -16.3561 -13.6568 -13.6568 -13.5643 -13.5643 -13.4536 -13.4536 -13.4387 -13.4387 -13.3607 -13.3607 -13.3564 -13.3564 -11.1169 -11.1169 -10.1027 -10.1027 -9.2209 -9.2209 -9.0805 -9.0805 -7.0364 -7.0364 -6.8033 -6.8033 -2.2175 -2.2175 -0.8224 -0.8224 -0.0465 -0.0465 0.0616 0.0616 0.1692 0.1692 0.3797 0.3797 0.5201 0.5201 0.7415 0.7415 0.8741 0.8741 0.9238 0.9238 0.9965 0.9965 1.2355 1.2355 2.1592 2.1592 2.9009 2.9009 3.3125 3.3125 3.6600 3.6600 3.7895 3.7895 3.9954 3.9954 4.4893 4.4893 4.8188 4.8188 4.9690 4.9690 5.1680 5.1680 5.4053 5.4053 5.5557 5.5557 5.6295 5.6295 5.6804 5.6804 5.7922 5.7922 6.2552 6.2552 6.2967 6.2967 6.5765 6.5765 10.0779 10.0779 10.8100 10.8100 11.5113 11.5113 11.8803 11.8803 12.1066 12.1066 12.7891 12.7891 13.4927 13.4927 14.1697 14.1697 14.3971 14.3971 k = 0.1053 0.3416 0.2087 ( 6860 PWs) bands (ev): -16.4244 -16.4244 -16.3833 -16.3833 -16.3763 -16.3763 -16.3559 -16.3559 -13.6581 -13.6581 -13.5598 -13.5598 -13.4542 -13.4542 -13.4371 -13.4371 -13.3617 -13.3617 -13.3564 -13.3564 -11.1048 -11.1048 -10.0960 -10.0960 -9.2251 -9.2251 -9.0917 -9.0917 -7.0330 -7.0330 -6.8029 -6.8029 -2.2477 -2.2477 -0.8634 -0.8634 -0.0458 -0.0458 0.0599 0.0599 0.1706 0.1706 0.3798 0.3798 0.5198 0.5198 0.7403 0.7403 0.8733 0.8733 0.9178 0.9178 1.0019 1.0019 1.2332 1.2332 2.1835 2.1835 2.8849 2.8849 3.3344 3.3344 3.6789 3.6789 3.7860 3.7860 4.0475 4.0475 4.4429 4.4429 4.7813 4.7813 4.9674 4.9674 5.1598 5.1598 5.4080 5.4080 5.5440 5.5440 5.6694 5.6694 5.6831 5.6831 5.7927 5.7927 6.2765 6.2765 6.3015 6.3015 6.5643 6.5643 10.0779 10.0779 10.8095 10.8095 11.5101 11.5101 11.8650 11.8650 12.1181 12.1181 12.7651 12.7651 13.5320 13.5320 14.1409 14.1409 14.4215 14.4215 k = 0.1184 0.3416 0.2087 ( 6854 PWs) bands (ev): -16.4246 -16.4246 -16.3833 -16.3833 -16.3749 -16.3749 -16.3557 -16.3557 -13.6591 -13.6591 -13.5553 -13.5553 -13.4548 -13.4548 -13.4354 -13.4354 -13.3629 -13.3629 -13.3563 -13.3563 -11.0912 -11.0912 -10.0884 -10.0884 -9.2299 -9.2299 -9.1045 -9.1045 -7.0291 -7.0291 -6.8025 -6.8025 -2.2804 -2.2804 -0.9095 -0.9095 -0.0449 -0.0449 0.0587 0.0587 0.1713 0.1713 0.3809 0.3809 0.5195 0.5195 0.7388 0.7388 0.8728 0.8728 0.9115 0.9115 1.0075 1.0075 1.2313 1.2313 2.2102 2.2102 2.8718 2.8718 3.3539 3.3539 3.6923 3.6923 3.7843 3.7843 4.1070 4.1070 4.3967 4.3967 4.7431 4.7431 4.9659 4.9659 5.1496 5.1496 5.4115 5.4115 5.5304 5.5304 5.6746 5.6746 5.7164 5.7164 5.8002 5.8002 6.2786 6.2786 6.3244 6.3244 6.5513 6.5513 10.0766 10.0766 10.8080 10.8080 11.5097 11.5097 11.8521 11.8521 12.1296 12.1296 12.7430 12.7430 13.5702 13.5702 14.1040 14.1040 14.4556 14.4556 k = 0.1316 0.3416 0.2087 ( 6844 PWs) bands (ev): -16.4248 -16.4248 -16.3833 -16.3833 -16.3734 -16.3734 -16.3554 -16.3554 -13.6599 -13.6599 -13.5508 -13.5508 -13.4554 -13.4554 -13.4336 -13.4336 -13.3642 -13.3642 -13.3563 -13.3563 -11.0760 -11.0760 -10.0800 -10.0800 -9.2353 -9.2353 -9.1187 -9.1187 -7.0249 -7.0249 -6.8020 -6.8020 -2.3151 -2.3151 -0.9604 -0.9604 -0.0438 -0.0438 0.0581 0.0581 0.1712 0.1712 0.3831 0.3831 0.5192 0.5192 0.7372 0.7372 0.8727 0.8727 0.9052 0.9052 1.0131 1.0131 1.2299 1.2299 2.2391 2.2391 2.8615 2.8615 3.3703 3.3703 3.6999 3.6999 3.7863 3.7863 4.1706 4.1706 4.3516 4.3516 4.7052 4.7052 4.9645 4.9645 5.1380 5.1380 5.4156 5.4156 5.5166 5.5166 5.6720 5.6720 5.7424 5.7424 5.8232 5.8232 6.2743 6.2743 6.3515 6.3515 6.5388 6.5388 10.0735 10.0735 10.8058 10.8058 11.5105 11.5105 11.8417 11.8417 12.1413 12.1413 12.7225 12.7225 13.6065 13.6065 14.0624 14.0624 14.4969 14.4969 k = 0.1447 0.3416 0.2087 ( 6842 PWs) bands (ev): -16.4248 -16.4248 -16.3834 -16.3834 -16.3719 -16.3719 -16.3551 -16.3551 -13.6603 -13.6603 -13.5464 -13.5464 -13.4559 -13.4559 -13.4317 -13.4317 -13.3656 -13.3656 -13.3562 -13.3562 -11.0592 -11.0592 -10.0708 -10.0708 -9.2415 -9.2415 -9.1344 -9.1344 -7.0203 -7.0203 -6.8015 -6.8015 -2.3513 -2.3513 -1.0159 -1.0159 -0.0426 -0.0426 0.0581 0.0581 0.1705 0.1705 0.3863 0.3863 0.5190 0.5190 0.7351 0.7351 0.8729 0.8729 0.8991 0.8991 1.0186 1.0186 1.2289 1.2289 2.2697 2.2697 2.8538 2.8538 3.3824 3.3824 3.7014 3.7014 3.7942 3.7942 4.2340 4.2340 4.3096 4.3096 4.6692 4.6692 4.9631 4.9631 5.1258 5.1258 5.4198 5.4198 5.5036 5.5036 5.6684 5.6684 5.7524 5.7524 5.8625 5.8625 6.2688 6.2688 6.3752 6.3752 6.5286 6.5286 10.0681 10.0681 10.8032 10.8032 11.5127 11.5127 11.8339 11.8339 12.1533 12.1533 12.7037 12.7037 13.6399 13.6399 14.0187 14.0187 14.5434 14.5434 k = 0.1579 0.3416 0.2087 ( 6836 PWs) bands (ev): -16.4248 -16.4248 -16.3835 -16.3835 -16.3704 -16.3704 -16.3547 -16.3547 -13.6603 -13.6603 -13.5421 -13.5421 -13.4563 -13.4563 -13.4297 -13.4297 -13.3670 -13.3670 -13.3561 -13.3561 -11.0409 -11.0409 -10.0607 -10.0607 -9.2485 -9.2485 -9.1514 -9.1514 -7.0153 -7.0153 -6.8011 -6.8011 -2.3885 -2.3885 -1.0755 -1.0755 -0.0411 -0.0411 0.0588 0.0588 0.1691 0.1691 0.3905 0.3905 0.5187 0.5187 0.7328 0.7328 0.8733 0.8733 0.8935 0.8935 1.0238 1.0238 1.2284 1.2284 2.3018 2.3018 2.8484 2.8484 3.3896 3.3896 3.6970 3.6970 3.8093 3.8093 4.2599 4.2599 4.3038 4.3038 4.6380 4.6380 4.9618 4.9618 5.1139 5.1139 5.4240 5.4240 5.4920 5.4920 5.6641 5.6641 5.7552 5.7552 5.9081 5.9081 6.2630 6.2630 6.3912 6.3912 6.5244 6.5244 10.0599 10.0599 10.8008 10.8008 11.5166 11.5166 11.8285 11.8285 12.1656 12.1656 12.6863 12.6863 13.6688 13.6688 13.9759 13.9759 14.5933 14.5933 k = 0.1711 0.3416 0.2087 ( 6838 PWs) bands (ev): -16.4246 -16.4246 -16.3837 -16.3837 -16.3689 -16.3689 -16.3542 -16.3542 -13.6599 -13.6599 -13.5382 -13.5382 -13.4566 -13.4566 -13.4276 -13.4276 -13.3686 -13.3686 -13.3560 -13.3560 -11.0210 -11.0210 -10.0499 -10.0499 -9.2564 -9.2564 -9.1696 -9.1696 -7.0100 -7.0100 -6.8007 -6.8007 -2.4262 -2.4262 -1.1387 -1.1387 -0.0393 -0.0393 0.0601 0.0601 0.1672 0.1672 0.3955 0.3955 0.5186 0.5186 0.7302 0.7302 0.8733 0.8733 0.8889 0.8889 1.0286 1.0286 1.2284 1.2284 2.3350 2.3350 2.8450 2.8450 3.3911 3.3911 3.6878 3.6878 3.8311 3.8311 4.2253 4.2253 4.3505 4.3505 4.6172 4.6172 4.9607 4.9607 5.1029 5.1029 5.4277 5.4277 5.4828 5.4828 5.6592 5.6592 5.7553 5.7553 5.9543 5.9543 6.2576 6.2576 6.3951 6.3951 6.5300 6.5300 10.0488 10.0488 10.7993 10.7993 11.5221 11.5221 11.8252 11.8252 12.1783 12.1783 12.6703 12.6703 13.6901 13.6901 13.9380 13.9380 14.6434 14.6434 k = 0.1842 0.3416 0.2087 ( 6846 PWs) bands (ev): -16.4244 -16.4244 -16.3839 -16.3839 -16.3675 -16.3675 -16.3537 -16.3537 -13.6592 -13.6592 -13.5345 -13.5345 -13.4569 -13.4569 -13.4255 -13.4255 -13.3702 -13.3702 -13.3559 -13.3559 -10.9995 -10.9995 -10.0383 -10.0383 -9.2654 -9.2654 -9.1889 -9.1889 -7.0044 -7.0044 -6.8003 -6.8003 -2.4641 -2.4641 -1.2051 -1.2051 -0.0374 -0.0374 0.0622 0.0622 0.1649 0.1649 0.4013 0.4013 0.5185 0.5185 0.7273 0.7273 0.8721 0.8721 0.8866 0.8866 1.0329 1.0329 1.2287 1.2287 2.3690 2.3690 2.8435 2.8435 3.3871 3.3871 3.6749 3.6749 3.8586 3.8586 4.1910 4.1910 4.3788 4.3788 4.6160 4.6160 4.9602 4.9602 5.0934 5.0934 5.4306 5.4306 5.4768 5.4768 5.6537 5.6537 5.7543 5.7543 5.9981 5.9981 6.2538 6.2538 6.3868 6.3868 6.5454 6.5454 10.0346 10.0346 10.7995 10.7995 11.5290 11.5290 11.8237 11.8237 12.1914 12.1914 12.6556 12.6556 13.6983 13.6983 13.9110 13.9110 14.6754 14.6754 k = 0.1974 0.3416 0.2087 ( 6834 PWs) bands (ev): -16.4240 -16.4240 -16.3841 -16.3841 -16.3662 -16.3662 -16.3531 -16.3531 -13.6580 -13.6580 -13.5311 -13.5311 -13.4571 -13.4571 -13.4232 -13.4232 -13.3718 -13.3718 -13.3558 -13.3558 -10.9765 -10.9765 -10.0260 -10.0260 -9.2758 -9.2758 -9.2089 -9.2089 -6.9985 -6.9985 -6.8000 -6.8000 -2.5017 -2.5017 -1.2741 -1.2741 -0.0351 -0.0351 0.0650 0.0650 0.1624 0.1624 0.4076 0.4076 0.5186 0.5186 0.7242 0.7242 0.8691 0.8691 0.8869 0.8869 1.0367 1.0367 1.2294 1.2294 2.4034 2.4034 2.8439 2.8439 3.3778 3.3778 3.6591 3.6591 3.8902 3.8902 4.1605 4.1605 4.3801 4.3801 4.6385 4.6385 4.9609 4.9609 5.0858 5.0858 5.4327 5.4327 5.4743 5.4743 5.6478 5.6478 5.7527 5.7527 6.0371 6.0371 6.2529 6.2529 6.3701 6.3701 6.5667 6.5667 10.0175 10.0175 10.8016 10.8016 11.5366 11.5366 11.8236 11.8236 12.2050 12.2050 12.6425 12.6425 13.6881 13.6881 13.9006 13.9006 14.6485 14.6485 k = 0.2105 0.3416 0.2087 ( 6822 PWs) bands (ev): -16.4236 -16.4236 -16.3844 -16.3844 -16.3650 -16.3650 -16.3525 -16.3525 -13.6564 -13.6564 -13.5282 -13.5282 -13.4571 -13.4571 -13.4210 -13.4210 -13.3735 -13.3735 -13.3557 -13.3557 -10.9520 -10.9520 -10.0130 -10.0130 -9.2883 -9.2883 -9.2291 -9.2291 -6.9924 -6.9924 -6.7998 -6.7998 -2.5386 -2.5386 -1.3452 -1.3452 -0.0325 -0.0325 0.0685 0.0685 0.1598 0.1598 0.4144 0.4144 0.5188 0.5188 0.7210 0.7210 0.8653 0.8653 0.8890 0.8890 1.0399 1.0399 1.2304 1.2304 2.4378 2.4378 2.8461 2.8461 3.3639 3.3639 3.6409 3.6409 3.9238 3.9238 4.1346 4.1346 4.3621 4.3621 4.6752 4.6752 4.9638 4.9638 5.0806 5.0806 5.4347 5.4347 5.4755 5.4755 5.6415 5.6415 5.7507 5.7507 6.0684 6.0684 6.2573 6.2573 6.3485 6.3485 6.5904 6.5904 9.9981 9.9981 10.8061 10.8061 11.5446 11.5446 11.8245 11.8245 12.2190 12.2190 12.6311 12.6311 13.6606 13.6606 13.9060 13.9060 14.6010 14.6010 k = 0.2237 0.3416 0.2087 ( 6824 PWs) bands (ev): -16.4230 -16.4230 -16.3846 -16.3846 -16.3639 -16.3639 -16.3518 -16.3518 -13.6543 -13.6543 -13.5256 -13.5256 -13.4571 -13.4571 -13.4188 -13.4188 -13.3751 -13.3751 -13.3556 -13.3556 -10.9260 -10.9260 -9.9994 -9.9994 -9.3035 -9.3035 -9.2485 -9.2485 -6.9860 -6.9860 -6.7996 -6.7996 -2.5744 -2.5744 -1.4179 -1.4179 -0.0297 -0.0297 0.0726 0.0726 0.1570 0.1570 0.4213 0.4213 0.5192 0.5192 0.7177 0.7177 0.8613 0.8613 0.8920 0.8920 1.0424 1.0424 1.2315 1.2315 2.4718 2.4718 2.8501 2.8501 3.3461 3.3461 3.6209 3.6209 3.9561 3.9561 4.1146 4.1146 4.3362 4.3362 4.7133 4.7133 4.9703 4.9703 5.0782 5.0782 5.4375 5.4375 5.4801 5.4801 5.6348 5.6348 5.7483 5.7483 6.0895 6.0895 6.2688 6.2688 6.3244 6.3244 6.6144 6.6144 9.9769 9.9769 10.8127 10.8127 11.5521 11.5521 11.8261 11.8261 12.2337 12.2337 12.6218 12.6218 13.6225 13.6225 13.9205 13.9205 14.5501 14.5501 k = 0.2368 0.3416 0.2087 ( 6824 PWs) bands (ev): -16.4223 -16.4223 -16.3850 -16.3850 -16.3629 -16.3629 -16.3511 -16.3511 -13.6519 -13.6519 -13.5234 -13.5234 -13.4570 -13.4570 -13.4167 -13.4167 -13.3766 -13.3766 -13.3554 -13.3554 -10.8986 -10.8986 -9.9851 -9.9851 -9.3225 -9.3225 -9.2664 -9.2664 -6.9793 -6.9793 -6.7996 -6.7996 -2.6089 -2.6089 -1.4917 -1.4917 -0.0266 -0.0266 0.0773 0.0773 0.1543 0.1543 0.4282 0.4282 0.5198 0.5198 0.7144 0.7144 0.8575 0.8575 0.8956 0.8956 1.0442 1.0442 1.2326 1.2326 2.5048 2.5048 2.8561 2.8561 3.3251 3.3251 3.5994 3.5994 3.9817 3.9817 4.1021 4.1021 4.3105 4.3105 4.7448 4.7448 4.9812 4.9812 5.0792 5.0792 5.4415 5.4415 5.4881 5.4881 5.6279 5.6279 5.7456 5.7456 6.0997 6.0997 6.2821 6.2821 6.3045 6.3045 6.6379 6.6379 9.9549 9.9549 10.8211 10.8211 11.5588 11.5588 11.8279 11.8279 12.2491 12.2491 12.6147 12.6147 13.5796 13.5796 13.9386 13.9386 14.4993 14.4993 k = 0.2500 0.3416 0.2087 ( 6832 PWs) bands (ev): -16.4215 -16.4215 -16.3853 -16.3853 -16.3620 -16.3620 -16.3503 -16.3503 -13.6491 -13.6491 -13.5217 -13.5217 -13.4568 -13.4568 -13.4147 -13.4147 -13.3779 -13.3779 -13.3553 -13.3553 -10.8697 -10.8697 -9.9702 -9.9702 -9.3453 -9.3453 -9.2826 -9.2826 -6.9725 -6.9725 -6.7997 -6.7997 -2.6416 -2.6416 -1.5662 -1.5662 -0.0234 -0.0234 0.0825 0.0825 0.1517 0.1517 0.4350 0.4350 0.5206 0.5206 0.7112 0.7112 0.8540 0.8540 0.8995 0.8995 1.0453 1.0453 1.2336 1.2336 2.5363 2.5363 2.8644 2.8644 3.3015 3.3015 3.5770 3.5770 3.9943 3.9943 4.0977 4.0977 4.2927 4.2927 4.7662 4.7662 4.9961 4.9961 5.0843 5.0843 5.4463 5.4463 5.5001 5.5001 5.6209 5.6209 5.7427 5.7427 6.1012 6.1012 6.2647 6.2647 6.3199 6.3199 6.6601 6.6601 9.9331 9.9331 10.8307 10.8307 11.5638 11.5638 11.8298 11.8298 12.2655 12.2655 12.6103 12.6103 13.5350 13.5350 13.9570 13.9570 14.4506 14.4506 k = 0.2632 0.3416 0.2087 ( 6844 PWs) bands (ev): -16.4206 -16.4206 -16.3856 -16.3856 -16.3612 -16.3612 -16.3496 -16.3496 -13.6459 -13.6459 -13.5204 -13.5204 -13.4565 -13.4565 -13.4131 -13.4131 -13.3791 -13.3791 -13.3552 -13.3552 -10.8394 -10.8394 -9.9548 -9.9548 -9.3714 -9.3714 -9.2974 -9.2974 -6.9656 -6.9656 -6.8000 -6.8000 -2.6723 -2.6723 -1.6409 -1.6409 -0.0198 -0.0198 0.0881 0.0881 0.1494 0.1494 0.4412 0.4412 0.5217 0.5217 0.7082 0.7082 0.8509 0.8509 0.9037 0.9037 1.0457 1.0457 1.2342 1.2342 2.5657 2.5657 2.8754 2.8754 3.2761 3.2761 3.5542 3.5542 3.9927 3.9927 4.0946 4.0946 4.2909 4.2909 4.7778 4.7778 5.0126 5.0126 5.0938 5.0938 5.4511 5.4511 5.5168 5.5168 5.6142 5.6142 5.7395 5.7395 6.0971 6.0971 6.2370 6.2370 6.3473 6.3473 6.6807 6.6807 9.9125 9.9125 10.8404 10.8404 11.5669 11.5669 11.8314 11.8314 12.2831 12.2831 12.6088 12.6088 13.4907 13.4907 13.9735 13.9735 14.4052 14.4052 k = 0.2763 0.3416 0.2087 ( 6838 PWs) bands (ev): -16.4197 -16.4197 -16.3860 -16.3860 -16.3604 -16.3604 -16.3488 -16.3488 -13.6424 -13.6424 -13.5195 -13.5195 -13.4561 -13.4561 -13.4117 -13.4117 -13.3799 -13.3799 -13.3551 -13.3551 -10.8077 -10.8077 -9.9390 -9.9390 -9.4003 -9.4003 -9.3114 -9.3114 -6.9585 -6.9585 -6.8004 -6.8004 -2.7008 -2.7008 -1.7154 -1.7154 -0.0161 -0.0161 0.0938 0.0938 0.1477 0.1477 0.4467 0.4467 0.5235 0.5235 0.7056 0.7056 0.8483 0.8483 0.9081 0.9081 1.0456 1.0456 1.2345 1.2345 2.5926 2.5926 2.8895 2.8895 3.2493 3.2493 3.5314 3.5314 3.9816 3.9816 4.0840 4.0840 4.3087 4.3087 4.7820 4.7820 5.0282 5.0282 5.1076 5.1076 5.4552 5.4552 5.5372 5.5372 5.6087 5.6087 5.7362 5.7362 6.0897 6.0897 6.2084 6.2084 6.3755 6.3755 6.6994 6.6994 9.8941 9.8941 10.8494 10.8494 11.5676 11.5676 11.8327 11.8327 12.3024 12.3024 12.6102 12.6102 13.4478 13.4478 13.9871 13.9871 14.3641 14.3641 k = 0.2895 0.3416 0.2087 ( 6832 PWs) bands (ev): -16.4186 -16.4186 -16.3865 -16.3865 -16.3597 -16.3597 -16.3482 -16.3482 -13.6386 -13.6386 -13.5190 -13.5190 -13.4556 -13.4556 -13.4109 -13.4109 -13.3803 -13.3803 -13.3550 -13.3550 -10.7747 -10.7747 -9.9227 -9.9227 -9.4313 -9.4313 -9.3253 -9.3253 -6.9513 -6.9513 -6.8009 -6.8009 -2.7267 -2.7267 -1.7894 -1.7894 -0.0121 -0.0121 0.0994 0.0994 0.1469 0.1469 0.4512 0.4512 0.5259 0.5259 0.7032 0.7032 0.8461 0.8461 0.9127 0.9127 1.0450 1.0450 1.2341 1.2341 2.6165 2.6165 2.9069 2.9069 3.2216 3.2216 3.5091 3.5091 3.9640 3.9640 4.0668 4.0668 4.3417 4.3417 4.7815 4.7815 5.0422 5.0422 5.1239 5.1239 5.4582 5.4582 5.5571 5.5571 5.6077 5.6077 5.7329 5.7329 6.0807 6.0807 6.1801 6.1801 6.4024 6.4024 6.7160 6.7160 9.8789 9.8789 10.8565 10.8565 11.5660 11.5660 11.8336 11.8336 12.3235 12.3235 12.6146 12.6146 13.4071 13.4071 13.9967 13.9967 14.3278 14.3278 k = 0.3026 0.3416 0.2087 ( 6830 PWs) bands (ev): -16.4175 -16.4175 -16.3869 -16.3869 -16.3591 -16.3591 -16.3475 -16.3475 -13.6344 -13.6344 -13.5190 -13.5190 -13.4550 -13.4550 -13.4106 -13.4106 -13.3802 -13.3802 -13.3549 -13.3549 -10.7404 -10.7404 -9.9061 -9.9061 -9.4640 -9.4640 -9.3392 -9.3392 -6.9440 -6.9440 -6.8017 -6.8017 -2.7499 -2.7499 -1.8625 -1.8625 -0.0080 -0.0080 0.1040 0.1040 0.1477 0.1477 0.4542 0.4542 0.5292 0.5292 0.7012 0.7012 0.8444 0.8444 0.9172 0.9172 1.0440 1.0440 1.2331 1.2331 2.6374 2.6374 2.9276 2.9276 3.1934 3.1934 3.4878 3.4878 3.9407 3.9407 4.0482 4.0482 4.3829 4.3829 4.7784 4.7784 5.0554 5.0554 5.1409 5.1409 5.4603 5.4603 5.5668 5.5668 5.6187 5.6187 5.7301 5.7301 6.0709 6.0709 6.1529 6.1529 6.4270 6.4270 6.7305 6.7305 9.8676 9.8676 10.8606 10.8606 11.5622 11.5622 11.8342 11.8342 12.3467 12.3467 12.6216 12.6216 13.3695 13.3695 14.0016 14.0016 14.2967 14.2967 k = 0.3158 0.3416 0.2087 ( 6830 PWs) bands (ev): -16.4163 -16.4163 -16.3874 -16.3874 -16.3584 -16.3584 -16.3470 -16.3470 -13.6300 -13.6300 -13.5193 -13.5193 -13.4543 -13.4543 -13.4108 -13.4108 -13.3797 -13.3797 -13.3548 -13.3548 -10.7049 -10.7049 -9.8894 -9.8894 -9.4981 -9.4981 -9.3533 -9.3533 -6.9367 -6.9367 -6.8027 -6.8027 -2.7702 -2.7702 -1.9343 -1.9343 -0.0038 -0.0038 0.1070 0.1070 0.1509 0.1509 0.4555 0.4555 0.5335 0.5335 0.6995 0.6995 0.8432 0.8432 0.9216 0.9216 1.0426 1.0426 1.2311 1.2311 2.6552 2.6552 2.9515 2.9515 3.1651 3.1651 3.4676 3.4676 3.9123 3.9123 4.0312 4.0312 4.4278 4.4278 4.7744 4.7744 5.0686 5.0686 5.1573 5.1573 5.4614 5.4614 5.5650 5.5650 5.6402 5.6402 5.7285 5.7285 6.0609 6.0609 6.1279 6.1279 6.4488 6.4488 6.7426 6.7426 9.8609 9.8609 10.8606 10.8606 11.5569 11.5569 11.8343 11.8343 12.3721 12.3721 12.6309 12.6309 13.3355 13.3355 14.0014 14.0014 14.2709 14.2709 k = 0.3289 0.3416 0.2087 ( 6812 PWs) bands (ev): -16.4151 -16.4151 -16.3879 -16.3879 -16.3578 -16.3578 -16.3466 -16.3466 -13.6253 -13.6253 -13.5200 -13.5200 -13.4535 -13.4535 -13.4116 -13.4116 -13.3788 -13.3788 -13.3548 -13.3548 -10.6682 -10.6682 -9.8727 -9.8727 -9.5332 -9.5332 -9.3679 -9.3679 -6.9294 -6.9294 -6.8039 -6.8039 -2.7874 -2.7874 -2.0047 -2.0047 0.0005 0.0005 0.1080 0.1080 0.1567 0.1567 0.4551 0.4551 0.5390 0.5390 0.6980 0.6980 0.8427 0.8427 0.9260 0.9260 1.0413 1.0413 1.2282 1.2282 2.6706 2.6706 2.9778 2.9778 3.1371 3.1371 3.4490 3.4490 3.8805 3.8805 4.0162 4.0162 4.4735 4.4735 4.7706 4.7706 5.0827 5.0827 5.1726 5.1726 5.4616 5.4616 5.5586 5.5586 5.6612 5.6612 5.7299 5.7299 6.0503 6.0503 6.1067 6.1067 6.4678 6.4678 6.7523 6.7523 9.8593 9.8593 10.8552 10.8552 11.5510 11.5510 11.8336 11.8336 12.3996 12.3996 12.6422 12.6422 13.3060 13.3060 13.9962 13.9962 14.2498 14.2498 k = 0.3421 0.3416 0.2087 ( 6810 PWs) bands (ev): -16.4138 -16.4138 -16.3885 -16.3885 -16.3571 -16.3571 -16.3462 -16.3462 -13.6204 -13.6204 -13.5210 -13.5210 -13.4526 -13.4526 -13.4128 -13.4128 -13.3776 -13.3776 -13.3548 -13.3548 -10.6303 -10.6303 -9.8563 -9.8563 -9.5689 -9.5689 -9.3828 -9.3828 -6.9221 -6.9221 -6.8053 -6.8053 -2.8014 -2.8014 -2.0733 -2.0733 0.0049 0.0049 0.1072 0.1072 0.1649 0.1649 0.4528 0.4528 0.5453 0.5453 0.6965 0.6965 0.8429 0.8429 0.9299 0.9299 1.0399 1.0399 1.2241 1.2241 2.6840 2.6840 3.0058 3.0058 3.1099 3.1099 3.4320 3.4320 3.8470 3.8470 4.0023 4.0023 4.5180 4.5180 4.7681 4.7681 5.0979 5.0979 5.1869 5.1869 5.4608 5.4608 5.5506 5.5506 5.6746 5.6746 5.7366 5.7366 6.0385 6.0385 6.0914 6.0914 6.4839 6.4839 6.7596 6.7596 9.8632 9.8632 10.8437 10.8437 11.5455 11.5455 11.8319 11.8319 12.4290 12.4290 12.6550 12.6550 13.2816 13.2816 13.9862 13.9862 14.2331 14.2331 k = 0.3553 0.3416 0.2087 ( 6806 PWs) bands (ev): -16.4125 -16.4125 -16.3890 -16.3890 -16.3565 -16.3565 -16.3459 -16.3459 -13.6154 -13.6154 -13.5224 -13.5224 -13.4517 -13.4517 -13.4143 -13.4143 -13.3761 -13.3761 -13.3548 -13.3548 -10.5914 -10.5914 -9.8408 -9.8408 -9.6046 -9.6046 -9.3982 -9.3982 -6.9148 -6.9148 -6.8070 -6.8070 -2.8120 -2.8120 -2.1398 -2.1398 0.0094 0.0094 0.1052 0.1052 0.1749 0.1749 0.4488 0.4488 0.5524 0.5524 0.6950 0.6950 0.8439 0.8439 0.9334 0.9334 1.0389 1.0389 1.2190 1.2190 2.6961 2.6961 3.0335 3.0335 3.0845 3.0845 3.4169 3.4169 3.8136 3.8136 3.9884 3.9884 4.5601 4.5601 4.7675 4.7675 5.1146 5.1146 5.2004 5.2004 5.4589 5.4589 5.5418 5.5418 5.6791 5.6791 5.7472 5.7472 6.0252 6.0252 6.0833 6.0833 6.4975 6.4975 6.7644 6.7644 9.8729 9.8729 10.8255 10.8255 11.5414 11.5414 11.8285 11.8285 12.4598 12.4598 12.6687 12.6687 13.2630 13.2630 13.9718 13.9718 14.2198 14.2198 k = 0.3684 0.3416 0.2087 ( 6818 PWs) bands (ev): -16.4112 -16.4112 -16.3897 -16.3897 -16.3558 -16.3558 -16.3458 -16.3458 -13.6102 -13.6102 -13.5242 -13.5242 -13.4506 -13.4506 -13.4160 -13.4160 -13.3746 -13.3746 -13.3549 -13.3549 -10.5514 -10.5514 -9.8274 -9.8274 -9.6390 -9.6390 -9.4140 -9.4140 -6.9076 -6.9076 -6.8090 -6.8090 -2.8191 -2.8191 -2.2041 -2.2041 0.0139 0.0139 0.1023 0.1023 0.1862 0.1862 0.4432 0.4432 0.5601 0.5601 0.6933 0.6933 0.8457 0.8457 0.9361 0.9361 1.0386 1.0386 1.2125 1.2125 2.7074 2.7074 3.0463 3.0463 3.0751 3.0751 3.4036 3.4036 3.7815 3.7815 3.9737 3.9737 4.5985 4.5985 4.7694 4.7694 5.1327 5.1327 5.2132 5.2132 5.4559 5.4559 5.5327 5.5327 5.6782 5.6782 5.7570 5.7570 6.0115 6.0115 6.0816 6.0816 6.5094 6.5094 6.7666 6.7666 9.8883 9.8883 10.8004 10.8004 11.5395 11.5395 11.8232 11.8232 12.4917 12.4917 12.6829 12.6829 13.2508 13.2508 13.9533 13.9533 14.2098 14.2098 k = 0.3816 0.3416 0.2087 ( 6818 PWs) bands (ev): -16.4098 -16.4098 -16.3903 -16.3903 -16.3552 -16.3552 -16.3457 -16.3457 -13.6048 -13.6048 -13.5262 -13.5262 -13.4495 -13.4495 -13.4179 -13.4179 -13.3729 -13.3729 -13.3551 -13.3551 -10.5106 -10.5106 -9.8186 -9.8186 -9.6696 -9.6696 -9.4303 -9.4303 -6.9005 -6.9005 -6.8113 -6.8113 -2.8227 -2.8227 -2.2660 -2.2660 0.0184 0.0184 0.0990 0.0990 0.1986 0.1986 0.4363 0.4363 0.5682 0.5682 0.6911 0.6911 0.8485 0.8485 0.9380 0.9380 1.0391 1.0391 1.2051 1.2051 2.7184 2.7184 3.0265 3.0265 3.0988 3.0988 3.3921 3.3921 3.7521 3.7521 3.9576 3.9576 4.6324 4.6324 4.7739 4.7739 5.1521 5.1521 5.2256 5.2256 5.4517 5.4517 5.5232 5.5232 5.6753 5.6753 5.7628 5.7628 5.9993 5.9993 6.0839 6.0839 6.5203 6.5203 6.7664 6.7664 9.9095 9.9095 10.7685 10.7685 11.5405 11.5405 11.8156 11.8156 12.5237 12.5237 12.6969 12.6969 13.2458 13.2458 13.9307 13.9307 14.2030 14.2030 k = 0.3947 0.3416 0.2087 ( 6814 PWs) bands (ev): -16.4085 -16.4085 -16.3910 -16.3910 -16.3545 -16.3545 -16.3458 -16.3458 -13.5995 -13.5995 -13.5286 -13.5286 -13.4483 -13.4483 -13.4199 -13.4199 -13.3712 -13.3712 -13.3553 -13.3553 -10.4689 -10.4689 -9.8194 -9.8194 -9.6914 -9.6914 -9.4471 -9.4471 -6.8935 -6.8935 -6.8138 -6.8138 -2.8226 -2.8226 -2.3253 -2.3253 0.0230 0.0230 0.0953 0.0953 0.2119 0.2119 0.4281 0.4281 0.5766 0.5766 0.6885 0.6885 0.8522 0.8522 0.9387 0.9387 1.0410 1.0410 1.1965 1.1965 2.7296 2.7296 3.0028 3.0028 3.1260 3.1260 3.3819 3.3819 3.7266 3.7266 3.9398 3.9398 4.6616 4.6616 4.7808 4.7808 5.1725 5.1725 5.2379 5.2379 5.4463 5.4463 5.5136 5.5136 5.6718 5.6718 5.7638 5.7638 5.9899 5.9899 6.0879 6.0879 6.5310 6.5310 6.7636 6.7636 9.9363 9.9363 10.7303 10.7303 11.5444 11.5444 11.8056 11.8056 12.5553 12.5553 12.7103 12.7103 13.2485 13.2485 13.9036 13.9036 14.1999 14.1999 k = 0.4079 0.3416 0.2087 ( 6814 PWs) bands (ev): -16.4071 -16.4071 -16.3918 -16.3918 -16.3538 -16.3538 -16.3459 -16.3459 -13.5941 -13.5941 -13.5313 -13.5313 -13.4471 -13.4471 -13.4220 -13.4220 -13.3696 -13.3696 -13.3556 -13.3556 -10.4264 -10.4264 -9.8349 -9.8349 -9.6990 -9.6990 -9.4643 -9.4643 -6.8867 -6.8867 -6.8166 -6.8166 -2.8189 -2.8189 -2.3818 -2.3818 0.0276 0.0276 0.0913 0.0913 0.2258 0.2258 0.4187 0.4187 0.5851 0.5851 0.6852 0.6852 0.8568 0.8568 0.9381 0.9381 1.0442 1.0442 1.1869 1.1869 2.7411 2.7411 2.9796 2.9796 3.1521 3.1521 3.3727 3.3727 3.7061 3.7061 3.9200 3.9200 4.6863 4.6863 4.7891 4.7891 5.1934 5.1934 5.2503 5.2503 5.4398 5.4398 5.5038 5.5038 5.6688 5.6688 5.7606 5.7606 5.9839 5.9839 6.0913 6.0913 6.5425 6.5425 6.7584 6.7584 9.9684 9.9684 10.6868 10.6868 11.5514 11.5514 11.7932 11.7932 12.5854 12.5854 12.7222 12.7222 13.2593 13.2593 13.8716 13.8716 14.2011 14.2011 k = 0.4211 0.3416 0.2087 ( 6806 PWs) bands (ev): -16.4058 -16.4058 -16.3926 -16.3926 -16.3531 -16.3531 -16.3462 -16.3462 -13.5886 -13.5886 -13.5343 -13.5343 -13.4457 -13.4457 -13.4241 -13.4241 -13.3680 -13.3680 -13.3560 -13.3560 -10.3832 -10.3832 -9.8636 -9.8636 -9.6940 -9.6940 -9.4818 -9.4818 -6.8801 -6.8801 -6.8197 -6.8197 -2.8114 -2.8114 -2.4353 -2.4353 0.0322 0.0322 0.0871 0.0871 0.2402 0.2402 0.4084 0.4084 0.5938 0.5938 0.6812 0.6812 0.8623 0.8623 0.9363 0.9363 1.0491 1.0491 1.1764 1.1764 2.7532 2.7532 2.9572 2.9572 3.1762 3.1762 3.3637 3.3637 3.6919 3.6919 3.8983 3.8983 4.7075 4.7075 4.7975 4.7975 5.2140 5.2140 5.2629 5.2629 5.4325 5.4325 5.4938 5.4938 5.6670 5.6670 5.7542 5.7542 5.9816 5.9816 6.0923 6.0923 6.5554 6.5554 6.7508 6.7508 10.0054 10.0054 10.6386 10.6386 11.5612 11.5612 11.7784 11.7784 12.6136 12.6136 12.7321 12.7321 13.2786 13.2786 13.8346 13.8346 14.2072 14.2072 k = 0.4342 0.3416 0.2087 ( 6806 PWs) bands (ev): -16.4045 -16.4045 -16.3934 -16.3934 -16.3524 -16.3524 -16.3465 -16.3465 -13.5832 -13.5832 -13.5376 -13.5376 -13.4443 -13.4443 -13.4262 -13.4262 -13.3665 -13.3665 -13.3565 -13.3565 -10.3394 -10.3394 -9.9000 -9.9000 -9.6818 -9.6818 -9.4998 -9.4998 -6.8736 -6.8736 -6.8232 -6.8232 -2.8002 -2.8002 -2.4857 -2.4857 0.0369 0.0369 0.0828 0.0828 0.2549 0.2549 0.3971 0.3971 0.6024 0.6024 0.6765 0.6765 0.8685 0.8685 0.9332 0.9332 1.0554 1.0554 1.1653 1.1653 2.7660 2.7660 2.9357 2.9357 3.1982 3.1982 3.3541 3.3541 3.6848 3.6848 3.8749 3.8749 4.7262 4.7262 4.8044 4.8044 5.2333 5.2333 5.2757 5.2757 5.4252 5.4252 5.4835 5.4835 5.6667 5.6667 5.7455 5.7455 5.9829 5.9829 6.0900 6.0900 6.5701 6.5701 6.7408 6.7408 10.0469 10.0469 10.5868 10.5868 11.5735 11.5735 11.7617 11.7617 12.6394 12.6394 12.7393 12.7393 13.3062 13.3062 13.7928 13.7928 14.2185 14.2185 k = 0.4474 0.3416 0.2087 ( 6808 PWs) bands (ev): -16.4032 -16.4032 -16.3943 -16.3943 -16.3518 -16.3518 -16.3469 -16.3469 -13.5779 -13.5779 -13.5411 -13.5411 -13.4429 -13.4429 -13.4283 -13.4283 -13.3651 -13.3651 -13.3571 -13.3571 -10.2951 -10.2951 -9.9403 -9.9403 -9.6663 -9.6663 -9.5180 -9.5180 -6.8674 -6.8674 -6.8269 -6.8269 -2.7853 -2.7853 -2.5330 -2.5330 0.0415 0.0415 0.0784 0.0784 0.2699 0.2699 0.3849 0.3849 0.6110 0.6110 0.6710 0.6710 0.8753 0.8753 0.9290 0.9290 1.0631 1.0631 1.1535 1.1535 2.7796 2.7796 2.9151 2.9151 3.2181 3.2181 3.3431 3.3431 3.6852 3.6852 3.8500 3.8500 4.7431 4.7431 4.8090 4.8090 5.2506 5.2506 5.2878 5.2878 5.4189 5.4189 5.4728 5.4728 5.6683 5.6683 5.7353 5.7353 5.9877 5.9877 6.0839 6.0839 6.5867 6.5867 6.7287 6.7287 10.0924 10.0924 10.5323 10.5323 11.5881 11.5881 11.7433 11.7433 12.6624 12.6624 12.7433 12.7433 13.3414 13.3414 13.7465 13.7465 14.2351 14.2351 k = 0.4605 0.3416 0.2087 ( 6800 PWs) bands (ev): -16.4019 -16.4019 -16.3953 -16.3953 -16.3511 -16.3511 -16.3474 -16.3474 -13.5727 -13.5727 -13.5449 -13.5449 -13.4413 -13.4413 -13.4304 -13.4304 -13.3637 -13.3637 -13.3577 -13.3577 -10.2505 -10.2505 -9.9827 -9.9827 -9.6489 -9.6489 -9.5365 -9.5365 -6.8614 -6.8614 -6.8310 -6.8310 -2.7665 -2.7665 -2.5769 -2.5769 0.0462 0.0462 0.0739 0.0739 0.2851 0.2851 0.3721 0.3721 0.6195 0.6195 0.6650 0.6650 0.8824 0.8824 0.9238 0.9238 1.0721 1.0721 1.1413 1.1413 2.7939 2.7939 2.8954 2.8954 3.2365 3.2365 3.3307 3.3307 3.6928 3.6928 3.8242 3.8242 4.7586 4.7586 4.8104 4.8104 5.2657 5.2657 5.2976 5.2976 5.4152 5.4152 5.4619 5.4619 5.6718 5.6718 5.7245 5.7245 5.9958 5.9958 6.0743 6.0743 6.6048 6.6048 6.7145 6.7145 10.1414 10.1414 10.4760 10.4760 11.6046 11.6046 11.7237 11.7237 12.6827 12.6827 12.7441 12.7441 13.3832 13.3832 13.6966 13.6966 14.2569 14.2569 k = 0.4737 0.3416 0.2087 ( 6796 PWs) bands (ev): -16.4007 -16.4007 -16.3963 -16.3963 -16.3504 -16.3504 -16.3479 -16.3479 -13.5676 -13.5676 -13.5490 -13.5490 -13.4397 -13.4397 -13.4324 -13.4324 -13.3625 -13.3625 -13.3585 -13.3585 -10.2056 -10.2056 -10.0264 -10.0264 -9.6307 -9.6307 -9.5553 -9.5553 -6.8556 -6.8556 -6.8353 -6.8353 -2.7441 -2.7441 -2.6175 -2.6175 0.0508 0.0508 0.0694 0.0694 0.3002 0.3002 0.3586 0.3586 0.6279 0.6279 0.6584 0.6584 0.8898 0.8898 0.9179 0.9179 1.0821 1.0821 1.1290 1.1290 2.8089 2.8089 2.8766 2.8766 3.2538 3.2538 3.3168 3.3168 3.7066 3.7066 3.7980 3.7980 4.7727 4.7727 4.8085 4.8085 5.2787 5.2787 5.3031 5.3031 5.4155 5.4155 5.4506 5.4506 5.6772 5.6772 5.7135 5.7135 6.0065 6.0065 6.0621 6.0621 6.6238 6.6238 6.6986 6.6986 10.1934 10.1934 10.4186 10.4186 11.6226 11.6226 11.7033 11.7033 12.7002 12.7002 12.7415 12.7415 13.4305 13.4305 13.6439 13.6439 14.2837 14.2837 k = 0.4868 0.3416 0.2087 ( 6798 PWs) bands (ev): -16.3995 -16.3995 -16.3973 -16.3973 -16.3497 -16.3497 -16.3485 -16.3485 -13.5627 -13.5627 -13.5534 -13.5534 -13.4379 -13.4379 -13.4343 -13.4343 -13.3613 -13.3613 -13.3593 -13.3593 -10.1606 -10.1606 -10.0707 -10.0707 -9.6120 -9.6120 -9.5742 -9.5742 -6.8501 -6.8501 -6.8399 -6.8399 -2.7179 -2.7179 -2.6545 -2.6545 0.0555 0.0555 0.0648 0.0648 0.3152 0.3152 0.3445 0.3445 0.6360 0.6360 0.6513 0.6513 0.8972 0.8972 0.9114 0.9114 1.0931 1.0931 1.1167 1.1167 2.8247 2.8247 2.8585 2.8585 3.2703 3.2703 3.3019 3.3019 3.7253 3.7253 3.7722 3.7722 4.7851 4.7851 4.8034 4.8034 5.2896 5.2896 5.3030 5.3030 5.4204 5.4204 5.4394 5.4394 5.6844 5.6844 5.7029 5.7029 6.0194 6.0194 6.0482 6.0482 6.6432 6.6432 6.6811 6.6811 10.2477 10.2477 10.3610 10.3610 11.6419 11.6419 11.6826 11.6826 12.7149 12.7149 12.7357 12.7357 13.4816 13.4816 13.5897 13.5897 14.3151 14.3151 k = 0.5000 0.3416 0.2087 ( 6796 PWs) bands (ev): -16.3984 -16.3984 -16.3984 -16.3984 -16.3491 -16.3491 -16.3491 -16.3491 -13.5579 -13.5579 -13.5579 -13.5579 -13.4362 -13.4362 -13.4362 -13.4362 -13.3603 -13.3603 -13.3603 -13.3603 -10.1156 -10.1156 -10.1156 -10.1156 -9.5931 -9.5931 -9.5931 -9.5931 -6.8449 -6.8449 -6.8449 -6.8449 -2.6880 -2.6880 -2.6880 -2.6880 0.0602 0.0602 0.0602 0.0602 0.3300 0.3300 0.3300 0.3300 0.6439 0.6439 0.6439 0.6439 0.9044 0.9044 0.9044 0.9044 1.1046 1.1046 1.1046 1.1046 2.8412 2.8412 2.8412 2.8412 3.2864 3.2864 3.2864 3.2864 3.7476 3.7476 3.7476 3.7476 4.7955 4.7955 4.7955 4.7955 5.2981 5.2981 5.2981 5.2981 5.4289 5.4289 5.4289 5.4289 5.6930 5.6930 5.6930 5.6930 6.0336 6.0336 6.0336 6.0336 6.6625 6.6625 6.6625 6.6625 10.3038 10.3038 10.3038 10.3038 11.6620 11.6620 11.6620 11.6620 12.7268 12.7268 12.7268 12.7268 13.5352 13.5352 13.5352 13.5352 14.3507 14.3507 k = 0.5000 0.3416 0.2087 ( 6796 PWs) bands (ev): -16.3984 -16.3984 -16.3984 -16.3984 -16.3491 -16.3491 -16.3491 -16.3491 -13.5579 -13.5579 -13.5579 -13.5579 -13.4362 -13.4362 -13.4362 -13.4362 -13.3603 -13.3603 -13.3603 -13.3603 -10.1156 -10.1156 -10.1156 -10.1156 -9.5931 -9.5931 -9.5931 -9.5931 -6.8449 -6.8449 -6.8449 -6.8449 -2.6880 -2.6880 -2.6880 -2.6880 0.0602 0.0602 0.0602 0.0602 0.3300 0.3300 0.3300 0.3300 0.6439 0.6439 0.6439 0.6439 0.9044 0.9044 0.9044 0.9044 1.1046 1.1046 1.1046 1.1046 2.8412 2.8412 2.8412 2.8412 3.2864 3.2864 3.2864 3.2864 3.7476 3.7476 3.7476 3.7476 4.7955 4.7955 4.7955 4.7955 5.2981 5.2981 5.2981 5.2981 5.4289 5.4289 5.4289 5.4289 5.6930 5.6930 5.6930 5.6930 6.0336 6.0336 6.0336 6.0336 6.6625 6.6625 6.6625 6.6625 10.3038 10.3038 10.3038 10.3038 11.6620 11.6620 11.6620 11.6620 12.7268 12.7268 12.7268 12.7268 13.5352 13.5352 13.5352 13.5352 14.3507 14.3507 k = 0.5000 0.3477 0.1988 ( 6798 PWs) bands (ev): -16.3984 -16.3984 -16.3984 -16.3984 -16.3491 -16.3491 -16.3490 -16.3490 -13.5580 -13.5580 -13.5578 -13.5578 -13.4362 -13.4362 -13.4361 -13.4361 -13.3603 -13.3603 -13.3602 -13.3602 -10.1156 -10.1156 -10.1156 -10.1156 -9.5931 -9.5931 -9.5931 -9.5931 -6.8449 -6.8449 -6.8449 -6.8449 -2.6880 -2.6880 -2.6879 -2.6879 0.0577 0.0577 0.0626 0.0626 0.3285 0.3285 0.3316 0.3316 0.6405 0.6405 0.6471 0.6471 0.9033 0.9033 0.9054 0.9054 1.1039 1.1039 1.1052 1.1052 2.8364 2.8364 2.8451 2.8451 3.2857 3.2857 3.2891 3.2891 3.7380 3.7380 3.7572 3.7572 4.7900 4.7900 4.7988 4.7988 5.2925 5.2925 5.2962 5.2962 5.4312 5.4312 5.4336 5.4336 5.6866 5.6866 5.7009 5.7009 6.0314 6.0314 6.0365 6.0365 6.6622 6.6622 6.6633 6.6633 10.3037 10.3037 10.3046 10.3046 11.6590 11.6590 11.6621 11.6621 12.7208 12.7208 12.7305 12.7305 13.5285 13.5285 13.5380 13.5380 14.3460 14.3460 k = 0.5000 0.3538 0.1888 ( 6788 PWs) bands (ev): -16.3984 -16.3984 -16.3984 -16.3984 -16.3491 -16.3491 -16.3490 -16.3490 -13.5581 -13.5581 -13.5578 -13.5578 -13.4363 -13.4363 -13.4360 -13.4360 -13.3603 -13.3603 -13.3602 -13.3602 -10.1158 -10.1158 -10.1157 -10.1157 -9.5930 -9.5930 -9.5929 -9.5929 -6.8449 -6.8449 -6.8449 -6.8449 -2.6877 -2.6877 -2.6875 -2.6875 0.0552 0.0552 0.0651 0.0651 0.3269 0.3269 0.3331 0.3331 0.6370 0.6370 0.6503 0.6503 0.9021 0.9021 0.9064 0.9064 1.1031 1.1031 1.1057 1.1057 2.8307 2.8307 2.8479 2.8479 3.2869 3.2869 3.2939 3.2939 3.7285 3.7285 3.7667 3.7667 4.7825 4.7825 4.8000 4.8000 5.2817 5.2817 5.2874 5.2874 5.4397 5.4397 5.4430 5.4430 5.6821 5.6821 5.7100 5.7100 6.0297 6.0297 6.0400 6.0400 6.6622 6.6622 6.6646 6.6646 10.3043 10.3043 10.3059 10.3059 11.6530 11.6530 11.6595 11.6595 12.7126 12.7126 12.7322 12.7322 13.5191 13.5191 13.5364 13.5364 14.3524 14.3524 k = 0.5000 0.3598 0.1789 ( 6796 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3491 -16.3491 -16.3490 -16.3490 -13.5581 -13.5581 -13.5577 -13.5577 -13.4363 -13.4363 -13.4360 -13.4360 -13.3604 -13.3604 -13.3601 -13.3601 -10.1160 -10.1160 -10.1159 -10.1159 -9.5928 -9.5928 -9.5927 -9.5927 -6.8449 -6.8449 -6.8449 -6.8449 -2.6872 -2.6872 -2.6869 -2.6869 0.0526 0.0526 0.0674 0.0674 0.3252 0.3252 0.3345 0.3345 0.6335 0.6335 0.6532 0.6532 0.9007 0.9007 0.9072 0.9072 1.1022 1.1022 1.1060 1.1060 2.8244 2.8244 2.8495 2.8495 3.2899 3.2899 3.3007 3.3007 3.7193 3.7193 3.7762 3.7762 4.7732 4.7732 4.7990 4.7990 5.2682 5.2682 5.2740 5.2740 5.4510 5.4510 5.4540 5.4540 5.6804 5.6804 5.7204 5.7204 6.0286 6.0286 6.0444 6.0444 6.6626 6.6626 6.6662 6.6662 10.3057 10.3057 10.3078 10.3078 11.6440 11.6440 11.6543 11.6543 12.7022 12.7022 12.7319 12.7319 13.5079 13.5079 13.5301 13.5301 14.3698 14.3698 k = 0.5000 0.3659 0.1689 ( 6804 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3491 -16.3491 -16.3490 -16.3490 -13.5582 -13.5582 -13.5576 -13.5576 -13.4364 -13.4364 -13.4359 -13.4359 -13.3604 -13.3604 -13.3601 -13.3601 -10.1163 -10.1163 -10.1162 -10.1162 -9.5925 -9.5925 -9.5924 -9.5924 -6.8450 -6.8450 -6.8449 -6.8449 -2.6865 -2.6865 -2.6861 -2.6861 0.0501 0.0501 0.0695 0.0695 0.3235 0.3235 0.3358 0.3358 0.6300 0.6300 0.6560 0.6560 0.8993 0.8993 0.9078 0.9078 1.1012 1.1012 1.1061 1.1061 2.8176 2.8176 2.8502 2.8502 3.2943 3.2943 3.3092 3.3092 3.7106 3.7106 3.7856 3.7856 4.7623 4.7623 4.7959 4.7959 5.2540 5.2540 5.2584 5.2584 5.4614 5.4614 5.4643 5.4643 5.6828 5.6828 5.7322 5.7322 6.0281 6.0281 6.0498 6.0498 6.6635 6.6635 6.6681 6.6681 10.3079 10.3079 10.3100 10.3100 11.6323 11.6323 11.6469 11.6469 12.6900 12.6900 12.7300 12.7300 13.4958 13.4958 13.5192 13.5192 14.3976 14.3976 k = 0.5000 0.3720 0.1590 ( 6804 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5583 -13.5583 -13.5576 -13.5576 -13.4364 -13.4364 -13.4359 -13.4359 -13.3604 -13.3604 -13.3601 -13.3601 -10.1167 -10.1167 -10.1165 -10.1165 -9.5922 -9.5922 -9.5920 -9.5920 -6.8450 -6.8450 -6.8450 -6.8450 -2.6856 -2.6856 -2.6851 -2.6851 0.0477 0.0477 0.0716 0.0716 0.3218 0.3218 0.3371 0.3371 0.6264 0.6264 0.6587 0.6587 0.8978 0.8978 0.9084 0.9084 1.1002 1.1002 1.1062 1.1062 2.8107 2.8107 2.8499 2.8499 3.3000 3.3000 3.3192 3.3192 3.7025 3.7025 3.7950 3.7950 4.7501 4.7501 4.7910 4.7910 5.2399 5.2399 5.2420 5.2420 5.4680 5.4680 5.4723 5.4723 5.6905 5.6905 5.7453 5.7453 6.0283 6.0283 6.0564 6.0564 6.6646 6.6646 6.6703 6.6703 10.3108 10.3108 10.3125 10.3125 11.6181 11.6181 11.6378 11.6378 12.6760 12.6760 12.7266 12.7266 13.4837 13.4837 13.5045 13.5045 14.4346 14.4346 k = 0.5000 0.3781 0.1490 ( 6802 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3489 -16.3489 -13.5583 -13.5583 -13.5575 -13.5575 -13.4365 -13.4365 -13.4358 -13.4358 -13.3605 -13.3605 -13.3600 -13.3600 -10.1171 -10.1171 -10.1169 -10.1169 -9.5917 -9.5917 -9.5916 -9.5916 -6.8451 -6.8451 -6.8450 -6.8450 -2.6846 -2.6846 -2.6840 -2.6840 0.0454 0.0454 0.0736 0.0736 0.3200 0.3200 0.3384 0.3384 0.6230 0.6230 0.6611 0.6611 0.8962 0.8962 0.9089 0.9089 1.0991 1.0991 1.1061 1.1061 2.8037 2.8037 2.8489 2.8489 3.3065 3.3065 3.3301 3.3301 3.6956 3.6956 3.8043 3.8043 4.7370 4.7370 4.7844 4.7844 5.2259 5.2259 5.2265 5.2265 5.4691 5.4691 5.4771 5.4771 5.7039 5.7039 5.7596 5.7596 6.0293 6.0293 6.0642 6.0642 6.6661 6.6661 6.6728 6.6728 10.3144 10.3144 10.3150 10.3150 11.6016 11.6016 11.6274 11.6274 12.6607 12.6607 12.7221 12.7221 13.4720 13.4720 13.4865 13.4865 14.4793 14.4793 k = 0.5000 0.3842 0.1390 ( 6806 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3489 -16.3489 -13.5584 -13.5584 -13.5574 -13.5574 -13.4365 -13.4365 -13.4358 -13.4358 -13.3605 -13.3605 -13.3600 -13.3600 -10.1177 -10.1177 -10.1174 -10.1174 -9.5912 -9.5912 -9.5911 -9.5911 -6.8451 -6.8451 -6.8451 -6.8451 -2.6834 -2.6834 -2.6827 -2.6827 0.0432 0.0432 0.0753 0.0753 0.3183 0.3183 0.3395 0.3395 0.6195 0.6195 0.6633 0.6633 0.8945 0.8945 0.9093 0.9093 1.0980 1.0980 1.1059 1.1059 2.7970 2.7970 2.8472 2.8472 3.3138 3.3138 3.3413 3.3413 3.6901 3.6901 3.8135 3.8135 4.7233 4.7233 4.7766 4.7766 5.2102 5.2102 5.2139 5.2139 5.4645 5.4645 5.4784 5.4784 5.7222 5.7222 5.7748 5.7748 6.0313 6.0313 6.0735 6.0735 6.6677 6.6677 6.6755 6.6755 10.3174 10.3174 10.3186 10.3186 11.5834 11.5834 11.6162 11.6162 12.6444 12.6444 12.7166 12.7166 13.4610 13.4610 13.4662 13.4662 14.5304 14.5304 k = 0.5000 0.3842 0.1390 ( 6806 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3489 -16.3489 -13.5584 -13.5584 -13.5574 -13.5574 -13.4365 -13.4365 -13.4358 -13.4358 -13.3605 -13.3605 -13.3600 -13.3600 -10.1177 -10.1177 -10.1174 -10.1174 -9.5912 -9.5912 -9.5911 -9.5911 -6.8451 -6.8451 -6.8451 -6.8451 -2.6834 -2.6834 -2.6827 -2.6827 0.0432 0.0432 0.0753 0.0753 0.3183 0.3183 0.3395 0.3395 0.6195 0.6195 0.6633 0.6633 0.8945 0.8945 0.9093 0.9093 1.0980 1.0980 1.1059 1.1059 2.7970 2.7970 2.8472 2.8472 3.3138 3.3138 3.3413 3.3413 3.6901 3.6901 3.8135 3.8135 4.7233 4.7233 4.7766 4.7766 5.2102 5.2102 5.2139 5.2139 5.4645 5.4645 5.4784 5.4784 5.7222 5.7222 5.7748 5.7748 6.0313 6.0313 6.0735 6.0735 6.6677 6.6677 6.6755 6.6755 10.3174 10.3174 10.3186 10.3186 11.5834 11.5834 11.6162 11.6162 12.6444 12.6444 12.7166 12.7166 13.4610 13.4610 13.4662 13.4662 14.5304 14.5304 k = 0.5000 0.3817 0.1268 ( 6810 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3489 -16.3489 -13.5583 -13.5583 -13.5575 -13.5575 -13.4365 -13.4365 -13.4358 -13.4358 -13.3605 -13.3605 -13.3600 -13.3600 -10.1184 -10.1184 -10.1181 -10.1181 -9.5903 -9.5903 -9.5901 -9.5901 -6.8453 -6.8453 -6.8452 -6.8452 -2.6825 -2.6825 -2.6816 -2.6816 0.0402 0.0402 0.0764 0.0764 0.3178 0.3178 0.3393 0.3393 0.6155 0.6155 0.6643 0.6643 0.8930 0.8930 0.9083 0.9083 1.0976 1.0976 1.1052 1.1052 2.7852 2.7852 2.8401 2.8401 3.3223 3.3223 3.3592 3.3592 3.6818 3.6818 3.8301 3.8301 4.7327 4.7327 4.7792 4.7792 5.1930 5.1930 5.1982 5.1982 5.4445 5.4445 5.4635 5.4635 5.7389 5.7389 5.7841 5.7841 6.0425 6.0425 6.0896 6.0896 6.6715 6.6715 6.6807 6.6807 10.3199 10.3199 10.3246 10.3246 11.5782 11.5782 11.5905 11.5905 12.6115 12.6115 12.7014 12.7014 13.4559 13.4559 13.4563 13.4563 14.5899 14.5899 k = 0.5000 0.3792 0.1145 ( 6820 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3489 -16.3489 -13.5583 -13.5583 -13.5575 -13.5575 -13.4365 -13.4365 -13.4359 -13.4359 -13.3605 -13.3605 -13.3600 -13.3600 -10.1193 -10.1193 -10.1190 -10.1190 -9.5892 -9.5892 -9.5890 -9.5890 -6.8454 -6.8454 -6.8453 -6.8453 -2.6815 -2.6815 -2.6806 -2.6806 0.0377 0.0377 0.0772 0.0772 0.3172 0.3172 0.3389 0.3389 0.6117 0.6117 0.6648 0.6648 0.8914 0.8914 0.9070 0.9070 1.0971 1.0971 1.1044 1.1044 2.7739 2.7739 2.8321 2.8321 3.3297 3.3297 3.3740 3.3740 3.6794 3.6794 3.8481 3.8481 4.7451 4.7451 4.7855 4.7855 5.1733 5.1733 5.1802 5.1802 5.4212 5.4212 5.4457 5.4457 5.7548 5.7548 5.7928 5.7928 6.0561 6.0561 6.1070 6.1070 6.6753 6.6753 6.6858 6.6858 10.3224 10.3224 10.3326 10.3326 11.5660 11.5660 11.5728 11.5728 12.5763 12.5763 12.6812 12.6812 13.4459 13.4459 13.4512 13.4512 14.6551 14.6551 k = 0.5000 0.3767 0.1022 ( 6822 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5582 -13.5582 -13.5575 -13.5575 -13.4366 -13.4366 -13.4359 -13.4359 -13.3604 -13.3604 -13.3600 -13.3600 -10.1202 -10.1202 -10.1199 -10.1199 -9.5880 -9.5880 -9.5878 -9.5878 -6.8455 -6.8455 -6.8454 -6.8454 -2.6806 -2.6806 -2.6795 -2.6795 0.0355 0.0355 0.0777 0.0777 0.3168 0.3168 0.3384 0.3384 0.6083 0.6083 0.6648 0.6648 0.8898 0.8898 0.9056 0.9056 1.0965 1.0965 1.1035 1.1035 2.7633 2.7633 2.8237 2.8237 3.3351 3.3351 3.3837 3.3837 3.6849 3.6849 3.8683 3.8683 4.7598 4.7598 4.7953 4.7953 5.1508 5.1508 5.1599 5.1599 5.3960 5.3960 5.4256 5.4256 5.7694 5.7694 5.8009 5.8009 6.0715 6.0715 6.1247 6.1247 6.6791 6.6791 6.6906 6.6906 10.3259 10.3259 10.3412 10.3412 11.5433 11.5433 11.5678 11.5678 12.5393 12.5393 12.6562 12.6562 13.4368 13.4368 13.4459 13.4459 14.7243 14.7243 k = 0.5000 0.3742 0.0899 ( 6818 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5581 -13.5581 -13.5575 -13.5575 -13.4366 -13.4366 -13.4360 -13.4360 -13.3604 -13.3604 -13.3600 -13.3600 -10.1212 -10.1212 -10.1208 -10.1208 -9.5868 -9.5868 -9.5866 -9.5866 -6.8456 -6.8456 -6.8455 -6.8455 -2.6796 -2.6796 -2.6784 -2.6784 0.0337 0.0337 0.0780 0.0780 0.3164 0.3164 0.3377 0.3377 0.6054 0.6054 0.6644 0.6644 0.8881 0.8881 0.9038 0.9038 1.0960 1.0960 1.1025 1.1025 2.7538 2.7538 2.8153 2.8153 3.3383 3.3383 3.3868 3.3868 3.6996 3.6996 3.8908 3.8908 4.7765 4.7765 4.8079 4.8079 5.1254 5.1254 5.1372 5.1372 5.3703 5.3703 5.4043 5.4043 5.7827 5.7827 5.8088 5.8088 6.0881 6.0881 6.1422 6.1422 6.6830 6.6830 6.6952 6.6952 10.3302 10.3302 10.3500 10.3500 11.5229 11.5229 11.5635 11.5635 12.5011 12.5011 12.6272 12.6272 13.4288 13.4288 13.4406 13.4406 14.7964 14.7964 k = 0.5000 0.3716 0.0777 ( 6810 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5581 -13.5581 -13.5576 -13.5576 -13.4366 -13.4366 -13.4360 -13.4360 -13.3604 -13.3604 -13.3600 -13.3600 -10.1222 -10.1222 -10.1219 -10.1219 -9.5855 -9.5855 -9.5853 -9.5853 -6.8457 -6.8457 -6.8456 -6.8456 -2.6786 -2.6786 -2.6774 -2.6774 0.0324 0.0324 0.0778 0.0778 0.3161 0.3161 0.3369 0.3369 0.6031 0.6031 0.6636 0.6636 0.8865 0.8865 0.9020 0.9020 1.0955 1.0955 1.1016 1.1016 2.7455 2.7455 2.8070 2.8070 3.3389 3.3389 3.3833 3.3833 3.7234 3.7234 3.9160 3.9160 4.7943 4.7943 4.8228 4.8228 5.0970 5.0970 5.1123 5.1123 5.3450 5.3450 5.3823 5.3823 5.7947 5.7947 5.8163 5.8163 6.1051 6.1051 6.1589 6.1589 6.6868 6.6868 6.6996 6.6996 10.3351 10.3351 10.3587 10.3587 11.5055 11.5055 11.5603 11.5603 12.4622 12.4622 12.5946 12.5946 13.4219 13.4219 13.4353 13.4353 14.8698 14.8698 k = 0.5000 0.3691 0.0654 ( 6818 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5580 -13.5580 -13.5576 -13.5576 -13.4366 -13.4366 -13.4361 -13.4361 -13.3604 -13.3604 -13.3601 -13.3601 -10.1233 -10.1233 -10.1229 -10.1229 -9.5841 -9.5841 -9.5839 -9.5839 -6.8458 -6.8458 -6.8457 -6.8457 -2.6776 -2.6776 -2.6763 -2.6763 0.0315 0.0315 0.0772 0.0772 0.3158 0.3158 0.3359 0.3359 0.6013 0.6013 0.6623 0.6623 0.8849 0.8849 0.8998 0.8998 1.0949 1.0949 1.1005 1.1005 2.7385 2.7385 2.7990 2.7990 3.3370 3.3370 3.3746 3.3746 3.7550 3.7550 3.9438 3.9438 4.8125 4.8125 4.8388 4.8388 5.0663 5.0663 5.0856 5.0856 5.3208 5.3208 5.3604 5.3604 5.8055 5.8055 5.8234 5.8234 6.1221 6.1221 6.1744 6.1744 6.6906 6.6906 6.7035 6.7035 10.3403 10.3403 10.3669 10.3669 11.4913 11.4913 11.5583 11.5583 12.4230 12.4230 12.5591 12.5591 13.4161 13.4161 13.4301 13.4301 14.9434 14.9434 k = 0.5000 0.3666 0.0531 ( 6824 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5580 -13.5580 -13.5576 -13.5576 -13.4366 -13.4366 -13.4362 -13.4362 -13.3604 -13.3604 -13.3601 -13.3601 -10.1243 -10.1243 -10.1239 -10.1239 -9.5828 -9.5828 -9.5826 -9.5826 -6.8459 -6.8459 -6.8458 -6.8458 -2.6767 -2.6767 -2.6754 -2.6754 0.0311 0.0311 0.0763 0.0763 0.3156 0.3156 0.3348 0.3348 0.6002 0.6002 0.6604 0.6604 0.8833 0.8833 0.8976 0.8976 1.0944 1.0944 1.0995 1.0995 2.7328 2.7328 2.7915 2.7915 3.3328 3.3328 3.3625 3.3625 3.7925 3.7925 3.9739 3.9739 4.8299 4.8299 4.8543 4.8543 5.0346 5.0346 5.0579 5.0579 5.2979 5.2979 5.3387 5.3387 5.8151 5.8151 5.8301 5.8301 6.1386 6.1386 6.1885 6.1885 6.6943 6.6943 6.7072 6.7072 10.3456 10.3456 10.3745 10.3745 11.4810 11.4810 11.5579 11.5579 12.3842 12.3842 12.5215 12.5215 13.4114 13.4114 13.4253 13.4253 15.0159 15.0159 k = 0.5000 0.3641 0.0408 ( 6828 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5579 -13.5579 -13.5576 -13.5576 -13.4366 -13.4366 -13.4362 -13.4362 -13.3604 -13.3604 -13.3601 -13.3601 -10.1253 -10.1253 -10.1250 -10.1250 -9.5815 -9.5815 -9.5813 -9.5813 -6.8459 -6.8459 -6.8459 -6.8459 -2.6758 -2.6758 -2.6745 -2.6745 0.0311 0.0311 0.0749 0.0749 0.3156 0.3156 0.3335 0.3335 0.5998 0.5998 0.6582 0.6582 0.8819 0.8819 0.8953 0.8953 1.0939 1.0939 1.0985 1.0985 2.7284 2.7284 2.7845 2.7845 3.3268 3.3268 3.3486 3.3486 3.8343 3.8343 4.0061 4.0061 4.8446 4.8446 4.8661 4.8661 5.0054 5.0054 5.0311 5.0311 5.2764 5.2764 5.3176 5.3176 5.8238 5.8238 5.8364 5.8364 6.1543 6.1543 6.2009 6.2009 6.6979 6.6979 6.7104 6.7104 10.3509 10.3509 10.3810 10.3810 11.4746 11.4746 11.5589 11.5589 12.3462 12.3462 12.4823 12.4823 13.4074 13.4074 13.4207 13.4207 15.0861 15.0861 k = 0.5000 0.3616 0.0285 ( 6822 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5578 -13.5578 -13.5576 -13.5576 -13.4366 -13.4366 -13.4363 -13.4363 -13.3603 -13.3603 -13.3601 -13.3601 -10.1263 -10.1263 -10.1260 -10.1260 -9.5803 -9.5803 -9.5801 -9.5801 -6.8460 -6.8460 -6.8460 -6.8460 -2.6749 -2.6749 -2.6737 -2.6737 0.0316 0.0316 0.0732 0.0732 0.3156 0.3156 0.3322 0.3322 0.6002 0.6002 0.6555 0.6555 0.8806 0.8806 0.8930 0.8930 1.0934 1.0934 1.0976 1.0976 2.7254 2.7254 2.7780 2.7780 3.3193 3.3193 3.3340 3.3340 3.8790 3.8790 4.0397 4.0397 4.8533 4.8533 4.8673 4.8673 4.9857 4.9857 5.0087 5.0087 5.2563 5.2563 5.2971 5.2971 5.8315 5.8315 5.8421 5.8421 6.1689 6.1689 6.2117 6.2117 6.7014 6.7014 6.7133 6.7133 10.3561 10.3561 10.3863 10.3863 11.4723 11.4723 11.5612 11.5612 12.3100 12.3100 12.4424 12.4424 13.4043 13.4043 13.4165 13.4165 15.1527 15.1527 k = 0.5000 0.3591 0.0163 ( 6832 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3490 -16.3490 -13.5578 -13.5578 -13.5576 -13.5576 -13.4367 -13.4367 -13.4363 -13.4363 -13.3603 -13.3603 -13.3601 -13.3601 -10.1272 -10.1272 -10.1269 -10.1269 -9.5791 -9.5791 -9.5789 -9.5789 -6.8461 -6.8461 -6.8460 -6.8460 -2.6741 -2.6741 -2.6730 -2.6730 0.0326 0.0326 0.0710 0.0710 0.3158 0.3158 0.3307 0.3307 0.6012 0.6012 0.6524 0.6524 0.8795 0.8795 0.8906 0.8906 1.0930 1.0930 1.0966 1.0966 2.7236 2.7236 2.7719 2.7719 3.3111 3.3111 3.3197 3.3197 3.9255 3.9255 4.0739 4.0739 4.8511 4.8511 4.8512 4.8512 4.9829 4.9829 4.9958 4.9958 5.2373 5.2373 5.2772 5.2772 5.8383 5.8383 5.8472 5.8472 6.1824 6.1824 6.2207 6.2207 6.7047 6.7047 6.7157 6.7157 10.3610 10.3610 10.3903 10.3903 11.4741 11.4741 11.5644 11.5644 12.2762 12.2762 12.4023 12.4023 13.4017 13.4017 13.4126 13.4126 15.2144 15.2144 k = 0.5000 0.3566 0.0040 ( 6838 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3491 -16.3491 -13.5578 -13.5578 -13.5576 -13.5576 -13.4367 -13.4367 -13.4364 -13.4364 -13.3603 -13.3603 -13.3601 -13.3601 -10.1280 -10.1280 -10.1277 -10.1277 -9.5780 -9.5780 -9.5779 -9.5779 -6.8461 -6.8461 -6.8461 -6.8461 -2.6733 -2.6733 -2.6723 -2.6723 0.0340 0.0340 0.0685 0.0685 0.3160 0.3160 0.3292 0.3292 0.6029 0.6029 0.6489 0.6489 0.8786 0.8786 0.8884 0.8884 1.0927 1.0927 1.0958 1.0958 2.7231 2.7231 2.7662 2.7662 3.3024 3.3024 3.3065 3.3065 3.9729 3.9729 4.1077 4.1077 4.8216 4.8216 4.8358 4.8358 4.9937 4.9937 4.9952 4.9952 5.2192 5.2192 5.2577 5.2577 5.8443 5.8443 5.8517 5.8517 6.1945 6.1945 6.2280 6.2280 6.7079 6.7079 6.7178 6.7178 10.3657 10.3657 10.3930 10.3930 11.4796 11.4796 11.5679 11.5679 12.2457 12.2457 12.3630 12.3630 13.3997 13.3997 13.4091 13.4091 15.2670 15.2670 k = 0.5000 0.3541-0.0083 ( 6836 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3491 -16.3491 -13.5577 -13.5577 -13.5576 -13.5576 -13.4367 -13.4367 -13.4364 -13.4364 -13.3603 -13.3603 -13.3601 -13.3601 -10.1287 -10.1287 -10.1285 -10.1285 -9.5771 -9.5771 -9.5770 -9.5770 -6.8462 -6.8462 -6.8461 -6.8461 -2.6727 -2.6727 -2.6718 -2.6718 0.0358 0.0358 0.0658 0.0658 0.3165 0.3165 0.3277 0.3277 0.6052 0.6052 0.6451 0.6451 0.8779 0.8779 0.8862 0.8862 1.0925 1.0925 1.0950 1.0950 2.7235 2.7235 2.7608 2.7608 3.2939 3.2939 3.2949 3.2949 4.0199 4.0199 4.1397 4.1397 4.7871 4.7871 4.8106 4.8106 5.0042 5.0042 5.0108 5.0108 5.2019 5.2019 5.2385 5.2385 5.8494 5.8494 5.8554 5.8554 6.2052 6.2052 6.2336 6.2336 6.7108 6.7108 6.7194 6.7194 10.3700 10.3700 10.3944 10.3944 11.4885 11.4885 11.5711 11.5711 12.2197 12.2197 12.3250 12.3250 13.3982 13.3982 13.4060 13.4060 15.3110 15.3110 k = 0.5000 0.3516-0.0206 ( 6844 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3491 -16.3491 -13.5577 -13.5577 -13.5576 -13.5576 -13.4367 -13.4367 -13.4365 -13.4365 -13.3603 -13.3603 -13.3602 -13.3602 -10.1293 -10.1293 -10.1291 -10.1291 -9.5763 -9.5763 -9.5762 -9.5762 -6.8462 -6.8462 -6.8462 -6.8462 -2.6721 -2.6721 -2.6714 -2.6714 0.0380 0.0380 0.0628 0.0628 0.3170 0.3170 0.3261 0.3261 0.6080 0.6080 0.6410 0.6410 0.8775 0.8775 0.8842 0.8842 1.0923 1.0923 1.0943 1.0943 2.7250 2.7250 2.7557 2.7557 3.2851 3.2851 3.2861 3.2861 4.0656 4.0656 4.1683 4.1683 4.7531 4.7531 4.7809 4.7809 5.0182 5.0182 5.0298 5.0298 5.1855 5.1855 5.2196 5.2196 5.8537 5.8537 5.8585 5.8585 6.2145 6.2145 6.2375 6.2375 6.7134 6.7134 6.7205 6.7205 10.3741 10.3741 10.3947 10.3947 11.4999 11.4999 11.5728 11.5728 12.1993 12.1993 12.2894 12.2894 13.3971 13.3971 13.4033 13.4033 15.3491 15.3491 k = 0.5000 0.3491-0.0328 ( 6842 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3491 -16.3491 -13.5577 -13.5577 -13.5576 -13.5576 -13.4367 -13.4367 -13.4365 -13.4365 -13.3603 -13.3603 -13.3602 -13.3602 -10.1298 -10.1298 -10.1296 -10.1296 -9.5757 -9.5757 -9.5756 -9.5756 -6.8462 -6.8462 -6.8462 -6.8462 -2.6716 -2.6716 -2.6710 -2.6710 0.0406 0.0406 0.0596 0.0596 0.3177 0.3177 0.3246 0.3246 0.6114 0.6114 0.6368 0.6368 0.8774 0.8774 0.8825 0.8825 1.0922 1.0922 1.0937 1.0937 2.7272 2.7272 2.7508 2.7508 3.2775 3.2775 3.2793 3.2793 4.1084 4.1084 4.1911 4.1911 4.7234 4.7234 4.7509 4.7509 5.0342 5.0342 5.0485 5.0485 5.1706 5.1706 5.2011 5.2011 5.8572 5.8572 5.8607 5.8607 6.2224 6.2224 6.2398 6.2398 6.7158 6.7158 6.7212 6.7212 10.3779 10.3779 10.3940 10.3940 11.5131 11.5131 11.5724 11.5724 12.1854 12.1854 12.2570 12.2570 13.3964 13.3964 13.4011 13.4011 15.3806 15.3806 k = 0.5000 0.3466-0.0451 ( 6832 PWs) bands (ev): -16.3984 -16.3984 -16.3983 -16.3983 -16.3492 -16.3492 -16.3491 -16.3491 -13.5576 -13.5576 -13.5576 -13.5576 -13.4367 -13.4367 -13.4366 -13.4366 -13.3602 -13.3602 -13.3602 -13.3602 -10.1301 -10.1301 -10.1300 -10.1300 -9.5752 -9.5752 -9.5751 -9.5751 -6.8463 -6.8463 -6.8462 -6.8462 -2.6712 -2.6712 -2.6709 -2.6709 0.0435 0.0435 0.0564 0.0564 0.3186 0.3186 0.3232 0.3232 0.6152 0.6152 0.6324 0.6324 0.8775 0.8775 0.8810 0.8810 1.0923 1.0923 1.0933 1.0933 2.7301 2.7301 2.7462 2.7462 3.2723 3.2723 3.2739 3.2739 4.1466 4.1466 4.2053 4.2053 4.7015 4.7015 4.7238 4.7238 5.0502 5.0502 5.0646 5.0646 5.1584 5.1584 5.1834 5.1834 5.8599 5.8599 5.8622 5.8622 6.2289 6.2289 6.2405 6.2405 6.7177 6.7177 6.7214 6.7214 10.3814 10.3814 10.3925 10.3925 11.5270 11.5270 11.5690 11.5690 12.1790 12.1790 12.2289 12.2289 13.3962 13.3962 13.3992 13.3992 15.4047 15.4047 k = 0.5000 0.3441-0.0574 ( 6832 PWs) bands (ev): -16.3984 -16.3984 -16.3984 -16.3984 -16.3491 -16.3491 -16.3491 -16.3491 -13.5576 -13.5576 -13.5576 -13.5576 -13.4366 -13.4366 -13.4366 -13.4366 -13.3602 -13.3602 -13.3602 -13.3602 -10.1303 -10.1303 -10.1302 -10.1302 -9.5749 -9.5749 -9.5749 -9.5749 -6.8463 -6.8463 -6.8463 -6.8463 -2.6710 -2.6710 -2.6708 -2.6708 0.0465 0.0465 0.0530 0.0530 0.3196 0.3196 0.3219 0.3219 0.6193 0.6193 0.6280 0.6280 0.8780 0.8780 0.8797 0.8797 1.0924 1.0924 1.0929 1.0929 2.7336 2.7336 2.7417 2.7417 3.2693 3.2693 3.2703 3.2703 4.1776 4.1776 4.2084 4.2084 4.6901 4.6901 4.7028 4.7028 5.0644 5.0644 5.0744 5.0744 5.1521 5.1521 5.1673 5.1673 5.8617 5.8617 5.8628 5.8628 6.2340 6.2340 6.2398 6.2398 6.7193 6.7193 6.7211 6.7211 10.3847 10.3847 10.3903 10.3903 11.5406 11.5406 11.5624 11.5624 12.1804 12.1804 12.2061 12.2061 13.3963 13.3963 13.3978 13.3978 15.4206 15.4207 k = 0.5000 0.3416-0.0697 ( 6836 PWs) bands (ev): -16.3984 -16.3984 -16.3984 -16.3984 -16.3491 -16.3491 -16.3491 -16.3491 -13.5576 -13.5576 -13.5576 -13.5576 -13.4366 -13.4366 -13.4366 -13.4366 -13.3602 -13.3602 -13.3602 -13.3602 -10.1303 -10.1303 -10.1303 -10.1303 -9.5748 -9.5748 -9.5748 -9.5748 -6.8463 -6.8463 -6.8463 -6.8463 -2.6708 -2.6708 -2.6708 -2.6708 0.0497 0.0497 0.0497 0.0497 0.3207 0.3207 0.3207 0.3207 0.6236 0.6236 0.6236 0.6236 0.8787 0.8787 0.8787 0.8787 1.0926 1.0926 1.0926 1.0926 2.7375 2.7375 2.7375 2.7375 3.2687 3.2687 3.2687 3.2687 4.1989 4.1989 4.1989 4.1989 4.6907 4.6907 4.6907 4.6907 5.0739 5.0739 5.0739 5.0739 5.1555 5.1555 5.1555 5.1555 5.8627 5.8627 5.8627 5.8627 6.2376 6.2376 6.2376 6.2376 6.7204 6.7204 6.7204 6.7204 10.3877 10.3877 10.3877 10.3877 11.5527 11.5527 11.5527 11.5527 12.1897 12.1897 12.1897 12.1897 13.3969 13.3969 13.3969 13.3969 15.4277 15.4277 k = 0.5000 0.3416-0.0697 ( 6836 PWs) bands (ev): -16.3984 -16.3984 -16.3984 -16.3984 -16.3491 -16.3491 -16.3491 -16.3491 -13.5576 -13.5576 -13.5576 -13.5576 -13.4366 -13.4366 -13.4366 -13.4366 -13.3602 -13.3602 -13.3602 -13.3602 -10.1303 -10.1303 -10.1303 -10.1303 -9.5748 -9.5748 -9.5748 -9.5748 -6.8463 -6.8463 -6.8463 -6.8463 -2.6708 -2.6708 -2.6708 -2.6708 0.0497 0.0497 0.0497 0.0497 0.3207 0.3207 0.3207 0.3207 0.6236 0.6236 0.6236 0.6236 0.8787 0.8787 0.8787 0.8787 1.0926 1.0926 1.0926 1.0926 2.7375 2.7375 2.7375 2.7375 3.2687 3.2687 3.2687 3.2687 4.1989 4.1989 4.1989 4.1989 4.6907 4.6907 4.6907 4.6907 5.0739 5.0739 5.0739 5.0739 5.1555 5.1555 5.1555 5.1555 5.8627 5.8627 5.8627 5.8627 6.2376 6.2376 6.2376 6.2376 6.7204 6.7204 6.7204 6.7204 10.3877 10.3877 10.3877 10.3877 11.5527 11.5527 11.5527 11.5527 12.1897 12.1897 12.1897 12.1897 13.3969 13.3969 13.3969 13.3969 15.4277 15.4277 k = 0.4868 0.3416-0.0697 ( 6832 PWs) bands (ev): -16.3995 -16.3995 -16.3973 -16.3973 -16.3498 -16.3498 -16.3485 -16.3485 -13.5624 -13.5624 -13.5531 -13.5531 -13.4383 -13.4383 -13.4348 -13.4348 -13.3613 -13.3613 -13.3593 -13.3593 -10.1771 -10.1771 -10.0838 -10.0838 -9.5822 -9.5822 -9.5673 -9.5673 -6.8529 -6.8529 -6.8399 -6.8399 -2.6984 -2.6984 -2.6396 -2.6396 0.0463 0.0463 0.0531 0.0531 0.3071 0.3071 0.3339 0.3339 0.6167 0.6167 0.6302 0.6302 0.8716 0.8716 0.8854 0.8854 1.0811 1.0811 1.1045 1.1045 2.7323 2.7323 2.7431 2.7431 3.2648 3.2648 3.2733 3.2733 4.1543 4.1543 4.2405 4.2405 4.6779 4.6779 4.7074 4.7074 5.0674 5.0674 5.0794 5.0794 5.1473 5.1473 5.1652 5.1652 5.8606 5.8606 5.8647 5.8647 6.2318 6.2318 6.2439 6.2439 6.7164 6.7164 6.7202 6.7202 10.3488 10.3488 10.4276 10.4276 11.5352 11.5352 11.5703 11.5703 12.1865 12.1865 12.1949 12.1949 13.3375 13.3375 13.4556 13.4556 15.3881 15.3881 k = 0.4737 0.3416-0.0697 ( 6830 PWs) bands (ev): -16.4007 -16.4007 -16.3962 -16.3962 -16.3504 -16.3504 -16.3480 -16.3480 -13.5673 -13.5673 -13.5487 -13.5487 -13.4399 -13.4399 -13.4330 -13.4330 -13.3624 -13.3624 -13.3584 -13.3584 -10.2239 -10.2239 -10.0378 -10.0378 -9.5893 -9.5893 -9.5599 -9.5599 -6.8599 -6.8599 -6.8338 -6.8338 -2.7222 -2.7222 -2.6046 -2.6046 0.0430 0.0430 0.0565 0.0565 0.2932 0.2932 0.3466 0.3466 0.6096 0.6096 0.6365 0.6365 0.8642 0.8642 0.8916 0.8916 1.0704 1.0704 1.1167 1.1167 2.7275 2.7275 2.7493 2.7493 3.2612 3.2612 3.2785 3.2785 4.1078 4.1078 4.2778 4.2778 4.6685 4.6685 4.7283 4.7283 5.0595 5.0595 5.0842 5.0842 5.1409 5.1409 5.1761 5.1761 5.8586 5.8586 5.8666 5.8666 6.2265 6.2265 6.2507 6.2507 6.7084 6.7084 6.7157 6.7157 10.3111 10.3111 10.4680 10.4680 11.5179 11.5179 11.5876 11.5876 12.1854 12.1854 12.2022 12.2022 13.2784 13.2784 13.5128 13.5128 15.3492 15.3492 k = 0.4605 0.3416-0.0697 ( 6834 PWs) bands (ev): -16.4019 -16.4019 -16.3952 -16.3952 -16.3511 -16.3511 -16.3475 -16.3475 -13.5724 -13.5724 -13.5447 -13.5447 -13.4414 -13.4414 -13.4311 -13.4311 -13.3637 -13.3637 -13.3577 -13.3577 -10.2706 -10.2706 -9.9925 -9.9925 -9.5961 -9.5961 -9.5527 -9.5527 -6.8670 -6.8670 -6.8280 -6.8280 -2.7423 -2.7423 -2.5661 -2.5661 0.0395 0.0395 0.0599 0.0599 0.2791 0.2791 0.3587 0.3587 0.6024 0.6024 0.6423 0.6423 0.8567 0.8567 0.8973 0.8973 1.0605 1.0605 1.1291 1.1291 2.7230 2.7230 2.7562 2.7562 3.2577 3.2577 3.2846 3.2846 4.0605 4.0605 4.3101 4.3101 4.6620 4.6620 4.7535 4.7535 5.0502 5.0502 5.0884 5.0884 5.1367 5.1367 5.1878 5.1878 5.8563 5.8563 5.8684 5.8684 6.2216 6.2216 6.2578 6.2578 6.6964 6.6964 6.7072 6.7072 10.2749 10.2749 10.5085 10.5085 11.5010 11.5010 11.6043 11.6043 12.1862 12.1862 12.2114 12.2114 13.2209 13.2209 13.5675 13.5675 15.3113 15.3113 k = 0.4474 0.3416-0.0697 ( 6826 PWs) bands (ev): -16.4032 -16.4032 -16.3943 -16.3943 -16.3518 -16.3518 -16.3470 -16.3470 -13.5777 -13.5777 -13.5409 -13.5409 -13.4429 -13.4429 -13.4291 -13.4291 -13.3650 -13.3650 -13.3570 -13.3570 -10.3171 -10.3171 -9.9485 -9.9485 -9.6021 -9.6021 -9.5456 -9.5456 -6.8744 -6.8744 -6.8224 -6.8224 -2.7587 -2.7587 -2.5240 -2.5240 0.0361 0.0361 0.0633 0.0633 0.2651 0.2651 0.3702 0.3702 0.5953 0.5953 0.6476 0.6476 0.8493 0.8493 0.9023 0.9023 1.0516 1.0516 1.1413 1.1413 2.7187 2.7187 2.7637 2.7637 3.2540 3.2540 3.2915 3.2915 4.0136 4.0136 4.3369 4.3369 4.6575 4.6575 4.7829 4.7829 5.0397 5.0397 5.0926 5.0926 5.1350 5.1350 5.2003 5.2003 5.8538 5.8538 5.8700 5.8700 6.2170 6.2170 6.2650 6.2650 6.6810 6.6810 6.6950 6.6950 10.2406 10.2406 10.5486 10.5486 11.4846 11.4846 11.6201 11.6201 12.1888 12.1888 12.2223 12.2223 13.1662 13.1662 13.6192 13.6192 15.2749 15.2749 k = 0.4342 0.3416-0.0697 ( 6826 PWs) bands (ev): -16.4044 -16.4044 -16.3934 -16.3934 -16.3524 -16.3524 -16.3466 -16.3466 -13.5830 -13.5830 -13.5373 -13.5373 -13.4442 -13.4442 -13.4270 -13.4270 -13.3665 -13.3665 -13.3564 -13.3564 -10.3631 -10.3631 -9.9064 -9.9064 -9.6068 -9.6068 -9.5386 -9.5386 -6.8820 -6.8820 -6.8172 -6.8172 -2.7713 -2.7713 -2.4785 -2.4785 0.0326 0.0326 0.0666 0.0666 0.2511 0.2511 0.3808 0.3808 0.5881 0.5881 0.6522 0.6522 0.8421 0.8421 0.9066 0.9066 1.0439 1.0439 1.1531 1.1531 2.7146 2.7146 2.7722 2.7722 3.2496 3.2496 3.2992 3.2992 3.9680 3.9680 4.3584 4.3584 4.6545 4.6545 4.8154 4.8154 5.0284 5.0284 5.0971 5.0971 5.1360 5.1360 5.2135 5.2135 5.8508 5.8508 5.8712 5.8712 6.2123 6.2123 6.2720 6.2720 6.6626 6.6626 6.6796 6.6796 10.2081 10.2081 10.5879 10.5879 11.4688 11.4688 11.6347 11.6347 12.1929 12.1929 12.2347 12.2347 13.1156 13.1156 13.6671 13.6671 15.2402 15.2402 k = 0.4211 0.3416-0.0697 ( 6834 PWs) bands (ev): -16.4058 -16.4058 -16.3926 -16.3926 -16.3531 -16.3531 -16.3463 -16.3463 -13.5884 -13.5884 -13.5341 -13.5341 -13.4455 -13.4455 -13.4249 -13.4249 -13.3680 -13.3680 -13.3560 -13.3560 -10.4086 -10.4086 -9.8670 -9.8670 -9.6094 -9.6094 -9.5319 -9.5319 -6.8898 -6.8898 -6.8123 -6.8123 -2.7802 -2.7802 -2.4295 -2.4295 0.0291 0.0291 0.0700 0.0700 0.2374 0.2374 0.3905 0.3905 0.5809 0.5809 0.6560 0.6560 0.8352 0.8352 0.9100 0.9100 1.0372 1.0372 1.1642 1.1642 2.7106 2.7106 2.7816 2.7816 3.2440 3.2440 3.3077 3.3077 3.9248 3.9248 4.3754 4.3754 4.6521 4.6521 4.8493 4.8493 5.0170 5.0170 5.1023 5.1023 5.1399 5.1399 5.2274 5.2274 5.8469 5.8469 5.8719 5.8719 6.2073 6.2073 6.2782 6.2782 6.6418 6.6418 6.6618 6.6618 10.1777 10.1777 10.6258 10.6258 11.4535 11.4535 11.6478 11.6478 12.1981 12.1981 12.2483 12.2483 13.0707 13.0707 13.7107 13.7107 15.2077 15.2077 k = 0.4079 0.3416-0.0697 ( 6836 PWs) bands (ev): -16.4071 -16.4071 -16.3918 -16.3918 -16.3538 -16.3538 -16.3461 -16.3461 -13.5939 -13.5939 -13.5312 -13.5312 -13.4467 -13.4467 -13.4228 -13.4228 -13.3696 -13.3696 -13.3556 -13.3556 -10.4535 -10.4535 -9.8318 -9.8318 -9.6087 -9.6087 -9.5252 -9.5252 -6.8978 -6.8978 -6.8078 -6.8078 -2.7855 -2.7855 -2.3773 -2.3773 0.0255 0.0255 0.0733 0.0733 0.2240 0.2240 0.3994 0.3994 0.5739 0.5739 0.6589 0.6589 0.8289 0.8289 0.9127 0.9127 1.0317 1.0317 1.1745 1.1745 2.7065 2.7065 2.7920 2.7920 3.2366 3.2366 3.3170 3.3170 3.8847 3.8847 4.3887 4.3887 4.6497 4.6497 4.8814 4.8814 5.0072 5.0072 5.1089 5.1089 5.1470 5.1470 5.2422 5.2422 5.8416 5.8416 5.8720 5.8720 6.2016 6.2016 6.2832 6.2832 6.6195 6.6195 6.6426 6.6426 10.1493 10.1493 10.6618 10.6618 11.4385 11.4385 11.6590 11.6590 12.2039 12.2039 12.2629 12.2629 13.0329 13.0329 13.7497 13.7497 15.1775 15.1775 k = 0.3947 0.3416-0.0697 ( 6838 PWs) bands (ev): -16.4085 -16.4085 -16.3911 -16.3911 -16.3545 -16.3545 -16.3459 -16.3459 -13.5993 -13.5993 -13.5286 -13.5286 -13.4478 -13.4478 -13.4208 -13.4208 -13.3713 -13.3713 -13.3553 -13.3553 -10.4977 -10.4977 -9.8026 -9.8026 -9.6032 -9.6032 -9.5186 -9.5186 -6.9058 -6.9058 -6.8035 -6.8035 -2.7871 -2.7871 -2.3218 -2.3218 0.0218 0.0218 0.0765 0.0765 0.2112 0.2112 0.4072 0.4072 0.5669 0.5669 0.6610 0.6610 0.8234 0.8234 0.9146 0.9146 1.0274 1.0274 1.1838 1.1838 2.7024 2.7024 2.8035 2.8035 3.2269 3.2269 3.3271 3.3271 3.8486 3.8486 4.3995 4.3995 4.6468 4.6468 4.9064 4.9064 5.0025 5.0025 5.1174 5.1174 5.1579 5.1579 5.2578 5.2578 5.8342 5.8342 5.8713 5.8713 6.1948 6.1948 6.2860 6.2860 6.5967 6.5967 6.6232 6.6232 10.1230 10.1230 10.6953 10.6953 11.4236 11.4236 11.6681 11.6681 12.2098 12.2098 12.2783 12.2783 13.0037 13.0037 13.7836 13.7836 15.1502 15.1502 k = 0.3816 0.3416-0.0697 ( 6838 PWs) bands (ev): -16.4098 -16.4098 -16.3904 -16.3904 -16.3551 -16.3551 -16.3459 -16.3459 -13.6047 -13.6047 -13.5263 -13.5263 -13.4488 -13.4488 -13.4187 -13.4187 -13.3730 -13.3730 -13.3550 -13.3550 -10.5410 -10.5410 -9.7812 -9.7812 -9.5913 -9.5913 -9.5116 -9.5116 -6.9140 -6.9140 -6.7996 -6.7996 -2.7852 -2.7852 -2.2633 -2.2633 0.0180 0.0180 0.0798 0.0798 0.1989 0.1989 0.4140 0.4140 0.5602 0.5602 0.6621 0.6621 0.8187 0.8187 0.9156 0.9156 1.0243 1.0243 1.1920 1.1920 2.6980 2.6980 2.8161 2.8161 3.2144 3.2144 3.3378 3.3378 3.8170 3.8170 4.4085 4.4085 4.6432 4.6432 4.9171 4.9171 5.0081 5.0081 5.1275 5.1275 5.1739 5.1739 5.2744 5.2744 5.8240 5.8240 5.8697 5.8697 6.1866 6.1866 6.2859 6.2859 6.5744 6.5744 6.6049 6.6049 10.0988 10.0988 10.7259 10.7259 11.4086 11.4086 11.6751 11.6751 12.2156 12.2156 12.2943 12.2943 12.9841 12.9841 13.8123 13.8123 15.1260 15.1260 k = 0.3684 0.3416-0.0697 ( 6828 PWs) bands (ev): -16.4112 -16.4112 -16.3897 -16.3897 -16.3557 -16.3557 -16.3459 -16.3459 -13.6100 -13.6100 -13.5244 -13.5244 -13.4498 -13.4498 -13.4167 -13.4167 -13.3746 -13.3746 -13.3549 -13.3549 -10.5835 -10.5835 -9.7682 -9.7682 -9.5732 -9.5732 -9.5036 -9.5036 -6.9223 -6.9223 -6.7959 -6.7959 -2.7798 -2.7798 -2.2018 -2.2018 0.0141 0.0141 0.0830 0.0830 0.1874 0.1874 0.4197 0.4197 0.5537 0.5537 0.6626 0.6626 0.8148 0.8148 0.9158 0.9158 1.0222 1.0222 1.1989 1.1989 2.6931 2.6931 2.8299 2.8299 3.1991 3.1991 3.3493 3.3493 3.7904 3.7904 4.4166 4.4166 4.6388 4.6388 4.9135 4.9135 5.0226 5.0226 5.1386 5.1386 5.1962 5.1962 5.2923 5.2923 5.8097 5.8097 5.8672 5.8672 6.1771 6.1771 6.2819 6.2819 6.5540 6.5540 6.5890 6.5890 10.0766 10.0766 10.7529 10.7529 11.3931 11.3931 11.6798 11.6798 12.2211 12.2211 12.3108 12.3108 12.9747 12.9747 13.8356 13.8356 15.1052 15.1052 k = 0.3553 0.3416-0.0697 ( 6830 PWs) bands (ev): -16.4125 -16.4125 -16.3891 -16.3891 -16.3564 -16.3564 -16.3461 -16.3461 -13.6153 -13.6153 -13.5227 -13.5227 -13.4506 -13.4506 -13.4149 -13.4149 -13.3763 -13.3763 -13.3548 -13.3548 -10.6249 -10.6249 -9.7624 -9.7624 -9.5518 -9.5518 -9.4929 -9.4929 -6.9306 -6.9306 -6.7926 -6.7926 -2.7710 -2.7710 -2.1376 -2.1376 0.0101 0.0101 0.0861 0.0861 0.1766 0.1766 0.4242 0.4242 0.5474 0.5474 0.6624 0.6624 0.8117 0.8117 0.9152 0.9152 1.0208 1.0208 1.2045 1.2045 2.6875 2.6875 2.8445 2.8445 3.1809 3.1809 3.3613 3.3613 3.7689 3.7689 4.4242 4.4242 4.6336 4.6336 4.9022 4.9022 5.0397 5.0397 5.1497 5.1497 5.2246 5.2246 5.3116 5.3116 5.7902 5.7902 5.8634 5.8634 6.1666 6.1666 6.2731 6.2731 6.5367 6.5367 6.5764 6.5764 10.0565 10.0565 10.7759 10.7759 11.3766 11.3766 11.6825 11.6825 12.2264 12.2264 12.3276 12.3276 12.9756 12.9756 13.8535 13.8535 15.0882 15.0882 k = 0.3421 0.3416-0.0697 ( 6832 PWs) bands (ev): -16.4138 -16.4138 -16.3885 -16.3885 -16.3570 -16.3570 -16.3463 -16.3463 -13.6203 -13.6203 -13.5215 -13.5215 -13.4514 -13.4514 -13.4133 -13.4133 -13.3778 -13.3778 -13.3547 -13.3547 -10.6654 -10.6654 -9.7620 -9.7620 -9.5324 -9.5324 -9.4763 -9.4763 -6.9390 -6.9390 -6.7896 -6.7896 -2.7589 -2.7589 -2.0708 -2.0708 0.0060 0.0060 0.0890 0.0890 0.1668 0.1668 0.4274 0.4274 0.5414 0.5414 0.6617 0.6617 0.8094 0.8094 0.9140 0.9140 1.0202 1.0202 1.2085 1.2085 2.6809 2.6809 2.8598 2.8598 3.1607 3.1607 3.3740 3.3740 3.7520 3.7520 4.4317 4.4317 4.6280 4.6280 4.8876 4.8876 5.0561 5.0561 5.1603 5.1603 5.2572 5.2572 5.3327 5.3327 5.7645 5.7645 5.8583 5.8583 6.1558 6.1558 6.2592 6.2592 6.5230 6.5230 6.5679 6.5679 10.0382 10.0382 10.7943 10.7943 11.3592 11.3592 11.6836 11.6836 12.2320 12.2320 12.3446 12.3446 12.9864 12.9864 13.8660 13.8660 15.0752 15.0752 k = 0.3289 0.3416-0.0697 ( 6832 PWs) bands (ev): -16.4151 -16.4151 -16.3880 -16.3880 -16.3576 -16.3576 -16.3467 -16.3467 -13.6252 -13.6252 -13.5206 -13.5206 -13.4521 -13.4521 -13.4120 -13.4120 -13.3791 -13.3791 -13.3547 -13.3547 -10.7047 -10.7047 -9.7650 -9.7650 -9.5191 -9.5191 -9.4515 -9.4515 -6.9473 -6.9473 -6.7868 -6.7868 -2.7437 -2.7437 -2.0015 -2.0015 0.0018 0.0018 0.0918 0.0918 0.1579 0.1579 0.4293 0.4293 0.5360 0.5360 0.6608 0.6608 0.8077 0.8077 0.9122 0.9122 1.0200 1.0200 1.2111 1.2111 2.6731 2.6731 2.8751 2.8751 3.1394 3.1394 3.3872 3.3872 3.7393 3.7393 4.4393 4.4393 4.6219 4.6219 4.8717 4.8717 5.0718 5.0718 5.1703 5.1703 5.2910 5.2910 5.3563 5.3563 5.7320 5.7320 5.8515 5.8515 6.1458 6.1458 6.2409 6.2409 6.5132 6.5132 6.5635 6.5635 10.0218 10.0218 10.8075 10.8075 11.3408 11.3408 11.6836 11.6836 12.2384 12.2384 12.3615 12.3615 13.0060 13.0060 13.8734 13.8734 15.0667 15.0667 k = 0.3158 0.3416-0.0697 ( 6832 PWs) bands (ev): -16.4163 -16.4163 -16.3875 -16.3875 -16.3583 -16.3583 -16.3471 -16.3471 -13.6299 -13.6299 -13.5200 -13.5200 -13.4528 -13.4528 -13.4111 -13.4111 -13.3801 -13.3801 -13.3548 -13.3548 -10.7428 -10.7428 -9.7701 -9.7701 -9.5108 -9.5108 -9.4210 -9.4210 -6.9556 -6.9556 -6.7844 -6.7844 -2.7254 -2.7254 -1.9300 -1.9300 -0.0025 -0.0025 0.0944 0.0944 0.1501 0.1501 0.4298 0.4298 0.5310 0.5310 0.6600 0.6600 0.8065 0.8065 0.9099 0.9099 1.0201 1.0201 1.2123 1.2123 2.6634 2.6634 2.8897 2.8897 3.1190 3.1190 3.4009 3.4009 3.7300 3.7300 4.4473 4.4473 4.6157 4.6157 4.8555 4.8555 5.0872 5.0872 5.1798 5.1798 5.3231 5.3231 5.3830 5.3830 5.6925 5.6925 5.8426 5.8426 6.1373 6.1373 6.2195 6.2195 6.5068 6.5068 6.5629 6.5629 10.0072 10.0072 10.8150 10.8150 11.3218 11.3218 11.6829 11.6829 12.2460 12.2460 12.3782 12.3782 13.0333 13.0333 13.8758 13.8758 15.0627 15.0627 k = 0.3026 0.3416-0.0697 ( 6834 PWs) bands (ev): -16.4175 -16.4175 -16.3870 -16.3870 -16.3589 -16.3589 -16.3476 -16.3476 -13.6344 -13.6344 -13.5199 -13.5199 -13.4533 -13.4533 -13.4107 -13.4107 -13.3807 -13.3807 -13.3549 -13.3549 -10.7796 -10.7796 -9.7766 -9.7766 -9.5053 -9.5053 -9.3879 -9.3879 -6.9639 -6.9639 -6.7822 -6.7822 -2.7044 -2.7044 -1.8565 -1.8565 -0.0068 -0.0068 0.0967 0.0967 0.1435 0.1435 0.4289 0.4289 0.5266 0.5266 0.6592 0.6592 0.8058 0.8058 0.9072 0.9072 1.0204 1.0204 1.2120 1.2120 2.6516 2.6516 2.9019 2.9019 3.1019 3.1019 3.4150 3.4150 3.7232 3.7232 4.4556 4.4556 4.6093 4.6093 4.8398 4.8398 5.1026 5.1026 5.1887 5.1887 5.3511 5.3511 5.4131 5.4131 5.6473 5.6473 5.8312 5.8312 6.1308 6.1308 6.1966 6.1966 6.5029 6.5029 6.5653 6.5653 9.9944 9.9944 10.8162 10.8162 11.3029 11.3029 11.6822 11.6822 12.2551 12.2551 12.3942 12.3942 13.0670 13.0670 13.8734 13.8734 15.0635 15.0635 k = 0.2895 0.3416-0.0697 ( 6836 PWs) bands (ev): -16.4186 -16.4186 -16.3866 -16.3866 -16.3596 -16.3596 -16.3482 -16.3482 -13.6385 -13.6385 -13.5201 -13.5201 -13.4538 -13.4538 -13.4108 -13.4108 -13.3809 -13.3809 -13.3549 -13.3549 -10.8152 -10.8152 -9.7839 -9.7839 -9.5011 -9.5011 -9.3540 -9.3540 -6.9720 -6.9720 -6.7802 -6.7802 -2.6806 -2.6806 -1.7812 -1.7812 -0.0111 -0.0111 0.0987 0.0987 0.1380 0.1380 0.4266 0.4266 0.5229 0.5229 0.6588 0.6588 0.8054 0.8054 0.9041 0.9041 1.0206 1.0206 1.2105 1.2105 2.6371 2.6371 2.9098 2.9098 3.0909 3.0909 3.4294 3.4294 3.7179 3.7179 4.4642 4.4642 4.6028 4.6028 4.8251 4.8251 5.1180 5.1180 5.1970 5.1970 5.3745 5.3745 5.4449 5.4449 5.5987 5.5987 5.8168 5.8168 6.1261 6.1261 6.1742 6.1742 6.5007 6.5007 6.5702 6.5702 9.9832 9.9832 10.8105 10.8105 11.2852 11.2852 11.6816 11.6816 12.2657 12.2657 12.4093 12.4093 13.1055 13.1055 13.8668 13.8668 15.0690 15.0690 k = 0.2763 0.3416-0.0697 ( 6840 PWs) bands (ev): -16.4197 -16.4197 -16.3862 -16.3862 -16.3603 -16.3603 -16.3489 -16.3489 -13.6424 -13.6424 -13.5207 -13.5207 -13.4542 -13.4542 -13.4115 -13.4115 -13.3805 -13.3805 -13.3551 -13.3551 -10.8495 -10.8495 -9.7917 -9.7917 -9.4979 -9.4979 -9.3202 -9.3202 -6.9801 -6.9801 -6.7785 -6.7785 -2.6544 -2.6544 -1.7044 -1.7044 -0.0154 -0.0154 0.1000 0.1000 0.1340 0.1340 0.4230 0.4230 0.5197 0.5197 0.6588 0.6588 0.8053 0.8053 0.9007 0.9007 1.0207 1.0207 1.2077 1.2077 2.6194 2.6194 2.9118 2.9118 3.0888 3.0888 3.4439 3.4439 3.7135 3.7135 4.4731 4.4731 4.5959 4.5959 4.8120 4.8120 5.1324 5.1324 5.2049 5.2049 5.3922 5.3922 5.4750 5.4750 5.5527 5.5527 5.7991 5.7991 6.1223 6.1223 6.1549 6.1549 6.4993 6.4993 6.5767 6.5767 9.9737 9.9737 10.7978 10.7978 11.2697 11.2697 11.6815 11.6815 12.2778 12.2778 12.4231 12.4231 13.1475 13.1475 13.8565 13.8565 15.0787 15.0787 k = 0.2632 0.3416-0.0697 ( 6836 PWs) bands (ev): -16.4206 -16.4206 -16.3858 -16.3858 -16.3611 -16.3611 -16.3496 -16.3496 -13.6460 -13.6460 -13.5217 -13.5217 -13.4544 -13.4544 -13.4126 -13.4126 -13.3797 -13.3797 -13.3552 -13.3552 -10.8823 -10.8823 -9.7997 -9.7997 -9.4954 -9.4954 -9.2870 -9.2870 -6.9880 -6.9880 -6.7770 -6.7770 -2.6259 -2.6259 -1.6264 -1.6264 -0.0196 -0.0196 0.1008 0.1008 0.1314 0.1314 0.4182 0.4182 0.5172 0.5172 0.6594 0.6594 0.8054 0.8054 0.8971 0.8971 1.0204 1.0204 1.2040 1.2040 2.5981 2.5981 2.9081 2.9081 3.0960 3.0960 3.4584 3.4584 3.7093 3.7093 4.4819 4.4819 4.5881 4.5881 4.8011 4.8011 5.1441 5.1441 5.2122 5.2122 5.3994 5.3994 5.4891 5.4891 5.5310 5.5310 5.7780 5.7780 6.1159 6.1159 6.1426 6.1426 6.4982 6.4982 6.5844 6.5844 9.9658 9.9658 10.7782 10.7782 11.2571 11.2571 11.6817 11.6817 12.2911 12.2911 12.4355 12.4355 13.1912 13.1912 13.8434 13.8434 15.0911 15.0911 k = 0.2500 0.3416-0.0697 ( 6846 PWs) bands (ev): -16.4215 -16.4215 -16.3854 -16.3854 -16.3619 -16.3619 -16.3503 -16.3503 -13.6491 -13.6491 -13.5231 -13.5231 -13.4546 -13.4546 -13.4142 -13.4142 -13.3786 -13.3786 -13.3553 -13.3553 -10.9137 -10.9137 -9.8079 -9.8079 -9.4933 -9.4933 -9.2548 -9.2548 -6.9957 -6.9957 -6.7757 -6.7757 -2.5954 -2.5954 -1.5475 -1.5475 -0.0236 -0.0236 0.1007 0.1007 0.1302 0.1302 0.4124 0.4124 0.5152 0.5152 0.6605 0.6605 0.8056 0.8056 0.8932 0.8932 1.0197 1.0197 1.1993 1.1993 2.5731 2.5731 2.9009 2.9009 3.1110 3.1110 3.4728 3.4728 3.7047 3.7047 4.4901 4.4901 4.5792 4.5792 4.7932 4.7932 5.1492 5.1492 5.2192 5.2192 5.3876 5.3876 5.4841 5.4841 5.5504 5.5504 5.7537 5.7537 6.1053 6.1053 6.1396 6.1396 6.4966 6.4966 6.5927 6.5927 9.9592 9.9592 10.7524 10.7524 11.2479 11.2479 11.6821 11.6821 12.3054 12.3054 12.4462 12.4462 13.2349 13.2349 13.8289 13.8289 15.1012 15.1012 k = 0.2368 0.3416-0.0697 ( 6854 PWs) bands (ev): -16.4223 -16.4223 -16.3851 -16.3851 -16.3628 -16.3628 -16.3510 -16.3510 -13.6520 -13.6520 -13.5250 -13.5250 -13.4548 -13.4548 -13.4161 -13.4161 -13.3773 -13.3773 -13.3555 -13.3555 -10.9437 -10.9437 -9.8160 -9.8160 -9.4916 -9.4916 -9.2237 -9.2237 -7.0032 -7.0032 -6.7747 -6.7747 -2.5632 -2.5632 -1.4680 -1.4680 -0.0274 -0.0274 0.1000 0.1000 0.1302 0.1302 0.4056 0.4056 0.5138 0.5138 0.6622 0.6622 0.8060 0.8060 0.8893 0.8893 1.0184 1.0184 1.1940 1.1940 2.5444 2.5444 2.8928 2.8928 3.1313 3.1313 3.4867 3.4867 3.6995 3.6995 4.4962 4.4962 4.5693 4.5693 4.7886 4.7886 5.1414 5.1414 5.2260 5.2260 5.3679 5.3679 5.4904 5.4904 5.5764 5.5764 5.7267 5.7267 6.0941 6.0941 6.1419 6.1419 6.4940 6.4940 6.6014 6.6014 9.9541 9.9541 10.7215 10.7215 11.2421 11.2421 11.6825 11.6825 12.3205 12.3205 12.4552 12.4552 13.2761 13.2761 13.8148 13.8148 15.0985 15.0985 k = 0.2237 0.3416-0.0697 ( 6862 PWs) bands (ev): -16.4230 -16.4230 -16.3848 -16.3848 -16.3638 -16.3638 -16.3517 -16.3517 -13.6544 -13.6544 -13.5272 -13.5272 -13.4548 -13.4548 -13.4181 -13.4181 -13.3757 -13.3757 -13.3556 -13.3556 -10.9722 -10.9722 -9.8240 -9.8240 -9.4903 -9.4903 -9.1939 -9.1939 -7.0104 -7.0104 -6.7738 -6.7738 -2.5296 -2.5296 -1.3883 -1.3883 -0.0309 -0.0309 0.0990 0.0990 0.1313 0.1313 0.3982 0.3982 0.5127 0.5127 0.6645 0.6645 0.8065 0.8065 0.8853 0.8853 1.0166 1.0166 1.1881 1.1881 2.5125 2.5125 2.8856 2.8856 3.1550 3.1550 3.5000 3.5000 3.6933 3.6933 4.4968 4.4968 4.5603 4.5603 4.7878 4.7878 5.1169 5.1169 5.2328 5.2328 5.3595 5.3595 5.5022 5.5022 5.6011 5.6011 5.6982 5.6982 6.0848 6.0848 6.1466 6.1466 6.4900 6.4900 6.6101 6.6101 9.9500 9.9500 10.6869 10.6869 11.2394 11.2394 11.6828 11.6828 12.3360 12.3360 12.4625 12.4625 13.3117 13.3117 13.8041 13.8041 15.0816 15.0816 k = 0.2105 0.3416-0.0697 ( 6868 PWs) bands (ev): -16.4236 -16.4236 -16.3846 -16.3846 -16.3650 -16.3650 -16.3524 -16.3524 -13.6564 -13.6564 -13.5299 -13.5299 -13.4548 -13.4548 -13.4202 -13.4202 -13.3741 -13.3741 -13.3557 -13.3557 -10.9992 -10.9992 -9.8318 -9.8318 -9.4892 -9.4892 -9.1656 -9.1656 -7.0174 -7.0174 -6.7730 -6.7730 -2.4948 -2.4948 -1.3088 -1.3088 -0.0342 -0.0342 0.0978 0.0978 0.1331 0.1331 0.3902 0.3902 0.5120 0.5120 0.6673 0.6673 0.8072 0.8072 0.8812 0.8812 1.0139 1.0139 1.1819 1.1819 2.4777 2.4777 2.8803 2.8803 3.1807 3.1807 3.5124 3.5124 3.6862 3.6862 4.4861 4.4861 4.5561 4.5561 4.7905 4.7905 5.0802 5.0802 5.2394 5.2394 5.3662 5.3662 5.5142 5.5142 5.6235 5.6235 5.6696 5.6696 6.0778 6.0778 6.1527 6.1527 6.4844 6.4844 6.6186 6.6186 9.9469 9.9469 10.6499 10.6499 11.2394 11.2394 11.6825 11.6825 12.3517 12.3517 12.4682 12.4682 13.3377 13.3377 13.8004 13.8004 15.0607 15.0607 k = 0.1974 0.3416-0.0697 ( 6868 PWs) bands (ev): -16.4240 -16.4240 -16.3843 -16.3843 -16.3662 -16.3662 -16.3530 -16.3530 -13.6580 -13.6580 -13.5329 -13.5329 -13.4547 -13.4547 -13.4223 -13.4223 -13.3724 -13.3724 -13.3559 -13.3559 -11.0246 -11.0246 -9.8394 -9.8394 -9.4884 -9.4884 -9.1387 -9.1387 -7.0242 -7.0242 -6.7724 -6.7724 -2.4593 -2.4593 -1.2299 -1.2299 -0.0370 -0.0370 0.0967 0.0967 0.1352 0.1352 0.3818 0.3818 0.5117 0.5117 0.6706 0.6706 0.8079 0.8079 0.8773 0.8773 1.0106 1.0106 1.1757 1.1757 2.4409 2.4409 2.8775 2.8775 3.2074 3.2074 3.5239 3.5239 3.6782 3.6782 4.4617 4.4617 4.5573 4.5573 4.7963 4.7963 5.0404 5.0404 5.2458 5.2458 5.3834 5.3834 5.5233 5.5233 5.6414 5.6414 5.6450 5.6450 6.0728 6.0728 6.1596 6.1596 6.4768 6.4768 6.6267 6.6267 9.9444 9.9444 10.6122 10.6122 11.2418 11.2418 11.6816 11.6816 12.3673 12.3673 12.4724 12.4724 13.3507 13.3507 13.8076 13.8076 15.0413 15.0413 k = 0.1842 0.3416-0.0697 ( 6864 PWs) bands (ev): -16.4244 -16.4244 -16.3841 -16.3841 -16.3675 -16.3675 -16.3535 -16.3535 -13.6592 -13.6592 -13.5363 -13.5363 -13.4545 -13.4545 -13.4245 -13.4245 -13.3707 -13.3707 -13.3560 -13.3560 -11.0484 -11.0484 -9.8466 -9.8466 -9.4878 -9.4878 -9.1134 -9.1134 -7.0306 -7.0306 -6.7719 -6.7719 -2.4233 -2.4233 -1.1522 -1.1522 -0.0396 -0.0396 0.0957 0.0957 0.1377 0.1377 0.3732 0.3732 0.5118 0.5118 0.6743 0.6743 0.8088 0.8088 0.8736 0.8736 1.0064 1.0064 1.1695 1.1695 2.4026 2.4026 2.8775 2.8775 3.2345 3.2345 3.5341 3.5341 3.6695 3.6695 4.4254 4.4254 4.5606 4.5606 4.8044 4.8044 5.0050 5.0050 5.2521 5.2521 5.4067 5.4067 5.5259 5.5259 5.6223 5.6223 5.6608 5.6608 6.0697 6.0697 6.1671 6.1671 6.4670 6.4670 6.6343 6.6343 9.9421 9.9421 10.5749 10.5749 11.2461 11.2461 11.6799 11.6799 12.3826 12.3826 12.4757 12.4757 13.3484 13.3484 13.8276 13.8276 15.0248 15.0248 k = 0.1711 0.3416-0.0697 ( 6860 PWs) bands (ev): -16.4246 -16.4246 -16.3839 -16.3839 -16.3689 -16.3689 -16.3540 -16.3540 -13.6600 -13.6600 -13.5400 -13.5400 -13.4543 -13.4543 -13.4266 -13.4266 -13.3691 -13.3691 -13.3561 -13.3561 -11.0707 -11.0707 -9.8535 -9.8535 -9.4874 -9.4874 -9.0897 -9.0897 -7.0366 -7.0366 -6.7716 -6.7716 -2.3872 -2.3872 -1.0759 -1.0759 -0.0418 -0.0418 0.0949 0.0949 0.1403 0.1403 0.3645 0.3645 0.5121 0.5121 0.6784 0.6784 0.8098 0.8098 0.8700 0.8700 1.0013 1.0013 1.1635 1.1635 2.3636 2.3636 2.8803 2.8803 3.2612 3.2612 3.5428 3.5428 3.6603 3.6603 4.3788 4.3788 4.5633 4.5633 4.8136 4.8136 4.9791 4.9791 5.2582 5.2582 5.4332 5.4332 5.5178 5.5178 5.6122 5.6122 5.6757 5.6757 6.0680 6.0680 6.1747 6.1747 6.4551 6.4551 6.6412 6.6412 9.9397 9.9397 10.5392 10.5392 11.2522 11.2522 11.6771 11.6771 12.3970 12.3970 12.4787 12.4787 13.3320 13.3320 13.8596 13.8596 15.0118 15.0118 k = 0.1579 0.3416-0.0697 ( 6864 PWs) bands (ev): -16.4248 -16.4248 -16.3838 -16.3838 -16.3704 -16.3704 -16.3544 -16.3544 -13.6604 -13.6604 -13.5440 -13.5440 -13.4540 -13.4540 -13.4286 -13.4286 -13.3675 -13.3675 -13.3562 -13.3562 -11.0914 -11.0914 -9.8600 -9.8600 -9.4872 -9.4872 -9.0677 -9.0677 -7.0423 -7.0423 -6.7713 -6.7713 -2.3514 -2.3514 -1.0018 -1.0018 -0.0436 -0.0436 0.0942 0.0942 0.1429 0.1429 0.3557 0.3557 0.5128 0.5128 0.6827 0.6827 0.8110 0.8110 0.8668 0.8668 0.9953 0.9953 1.1577 1.1577 2.3244 2.3244 2.8860 2.8860 3.2870 3.2870 3.5500 3.5500 3.6511 3.6511 4.3235 4.3235 4.5639 4.5639 4.8231 4.8231 4.9649 4.9649 5.2642 5.2642 5.4610 5.4610 5.5002 5.5002 5.6123 5.6123 5.6885 5.6885 6.0675 6.0675 6.1823 6.1823 6.4409 6.4409 6.6475 6.6475 9.9367 9.9367 10.5060 10.5060 11.2597 11.2597 11.6732 11.6732 12.4100 12.4100 12.4822 12.4822 13.3042 13.3042 13.9007 13.9007 15.0022 15.0022 k = 0.1447 0.3416-0.0697 ( 6860 PWs) bands (ev): -16.4248 -16.4248 -16.3837 -16.3837 -16.3719 -16.3719 -16.3548 -16.3548 -13.6603 -13.6603 -13.5482 -13.5482 -13.4536 -13.4536 -13.4305 -13.4305 -13.3660 -13.3660 -13.3563 -13.3563 -11.1104 -11.1104 -9.8661 -9.8661 -9.4870 -9.4870 -9.0474 -9.0474 -7.0477 -7.0477 -6.7711 -6.7711 -2.3164 -2.3164 -0.9304 -0.9304 -0.0452 -0.0452 0.0936 0.0936 0.1456 0.1456 0.3470 0.3470 0.5137 0.5137 0.6871 0.6871 0.8124 0.8124 0.8640 0.8640 0.9885 0.9885 1.1524 1.1524 2.2856 2.2856 2.8948 2.8948 3.3114 3.3114 3.5552 3.5552 3.6422 3.6422 4.2611 4.2611 4.5623 4.5623 4.8322 4.8322 4.9626 4.9626 5.2700 5.2700 5.4742 5.4742 5.4927 5.4927 5.6181 5.6181 5.6996 5.6996 6.0680 6.0680 6.1897 6.1897 6.4247 6.4247 6.6531 6.6531 9.9327 9.9327 10.4763 10.4763 11.2685 11.2685 11.6681 11.6681 12.4204 12.4204 12.4875 12.4875 13.2684 13.2684 13.9479 13.9479 14.9959 14.9959 k = 0.1316 0.3416-0.0697 ( 6860 PWs) bands (ev): -16.4248 -16.4248 -16.3836 -16.3836 -16.3734 -16.3734 -16.3551 -16.3551 -13.6599 -13.6599 -13.5526 -13.5526 -13.4532 -13.4532 -13.4322 -13.4322 -13.3645 -13.3645 -13.3563 -13.3563 -11.1279 -11.1279 -9.8717 -9.8717 -9.4870 -9.4870 -9.0288 -9.0288 -7.0526 -7.0526 -6.7710 -6.7710 -2.2826 -2.2826 -0.8621 -0.8621 -0.0464 -0.0464 0.0931 0.0931 0.1482 0.1482 0.3386 0.3386 0.5149 0.5149 0.6915 0.6915 0.8141 0.8141 0.8617 0.8617 0.9809 0.9809 1.1474 1.1474 2.2479 2.2479 2.9067 2.9067 3.3337 3.3337 3.5583 3.5583 3.6343 3.6343 4.1941 4.1941 4.5587 4.5587 4.8411 4.8411 4.9700 4.9700 5.2755 5.2755 5.4521 5.4521 5.5187 5.5187 5.6265 5.6265 5.7092 5.7092 6.0690 6.0690 6.1966 6.1966 6.4066 6.4066 6.6579 6.6579 9.9276 9.9276 10.4506 10.4506 11.2784 11.2784 11.6617 11.6617 12.4273 12.4273 12.4960 12.4960 13.2274 13.2274 13.9981 13.9981 14.9927 14.9927 k = 0.1184 0.3416-0.0697 ( 6852 PWs) bands (ev): -16.4246 -16.4246 -16.3836 -16.3836 -16.3749 -16.3749 -16.3553 -16.3553 -13.6592 -13.6592 -13.5571 -13.5571 -13.4528 -13.4528 -13.4339 -13.4339 -13.3632 -13.3632 -13.3564 -13.3564 -11.1437 -11.1437 -9.8769 -9.8769 -9.4870 -9.4870 -9.0119 -9.0119 -7.0571 -7.0571 -6.7710 -6.7710 -2.2503 -2.2503 -0.7977 -0.7977 -0.0474 -0.0474 0.0926 0.0926 0.1507 0.1507 0.3306 0.3306 0.5163 0.5163 0.6958 0.6958 0.8161 0.8161 0.8600 0.8600 0.9726 0.9726 1.1430 1.1430 2.2118 2.2118 2.9219 2.9219 3.3531 3.3531 3.5589 3.5589 3.6280 3.6280 4.1248 4.1248 4.5537 4.5537 4.8499 4.8499 4.9844 4.9844 5.2806 5.2806 5.4297 5.4297 5.5438 5.5438 5.6364 5.6364 5.7181 5.7181 6.0705 6.0705 6.2029 6.2029 6.3869 6.3869 6.6620 6.6620 9.9211 9.9211 10.4291 10.4291 11.2894 11.2894 11.6542 11.6542 12.4308 12.4308 12.5081 12.5081 13.1833 13.1833 14.0492 14.0492 14.9923 14.9923 k = 0.1053 0.3416-0.0697 ( 6858 PWs) bands (ev): -16.4244 -16.4244 -16.3836 -16.3836 -16.3763 -16.3763 -16.3555 -16.3555 -13.6581 -13.6581 -13.5617 -13.5617 -13.4523 -13.4523 -13.4355 -13.4355 -13.3620 -13.3620 -13.3564 -13.3564 -11.1578 -11.1578 -9.8816 -9.8816 -9.4871 -9.4871 -8.9968 -8.9968 -7.0612 -7.0612 -6.7710 -6.7710 -2.2200 -2.2200 -0.7377 -0.7377 -0.0481 -0.0481 0.0920 0.0920 0.1530 0.1530 0.3231 0.3231 0.5178 0.5178 0.6997 0.6997 0.8185 0.8185 0.8589 0.8589 0.9637 0.9637 1.1390 1.1390 2.1777 2.1777 2.9405 2.9405 3.3687 3.3687 3.5571 3.5571 3.6237 3.6237 4.0555 4.0555 4.5478 4.5478 4.8587 4.8587 5.0032 5.0032 5.2849 5.2849 5.4094 5.4094 5.5651 5.5651 5.6476 5.6476 5.7271 5.7271 6.0722 6.0722 6.2084 6.2084 6.3661 6.3661 6.6654 6.6654 9.9133 9.9133 10.4119 10.4119 11.3012 11.3012 11.6456 11.6456 12.4315 12.4315 12.5231 12.5231 13.1378 13.1378 14.0994 14.0994 14.9945 14.9945 k = 0.0921 0.3416-0.0697 ( 6856 PWs) bands (ev): -16.4242 -16.4242 -16.3838 -16.3838 -16.3776 -16.3776 -16.3557 -16.3557 -13.6568 -13.6568 -13.5661 -13.5661 -13.4518 -13.4518 -13.4369 -13.4369 -13.3610 -13.3610 -13.3565 -13.3565 -11.1703 -11.1703 -9.8857 -9.8857 -9.4872 -9.4872 -8.9834 -8.9834 -7.0648 -7.0648 -6.7710 -6.7710 -2.1921 -2.1921 -0.6827 -0.6827 -0.0486 -0.0486 0.0913 0.0913 0.1552 0.1552 0.3164 0.3164 0.5195 0.5195 0.7033 0.7033 0.8214 0.8214 0.8584 0.8584 0.9544 0.9544 1.1354 1.1354 2.1463 2.1463 2.9624 2.9624 3.3793 3.3793 3.5535 3.5535 3.6213 3.6213 3.9886 3.9886 4.5418 4.5418 4.8674 4.8674 5.0243 5.0243 5.2878 5.2878 5.3922 5.3922 5.5815 5.5815 5.6596 5.6596 5.7371 5.7371 6.0740 6.0740 6.2130 6.2130 6.3447 6.3447 6.6682 6.6682 9.9046 9.9046 10.3987 10.3987 11.3137 11.3137 11.6360 11.6360 12.4306 12.4306 12.5403 12.5403 13.0921 13.0921 14.1471 14.1471 14.9989 14.9989 k = 0.0789 0.3416-0.0697 ( 6856 PWs) bands (ev): -16.4239 -16.4239 -16.3840 -16.3840 -16.3786 -16.3786 -16.3558 -16.3558 -13.6553 -13.6553 -13.5705 -13.5705 -13.4513 -13.4513 -13.4383 -13.4383 -13.3600 -13.3600 -13.3565 -13.3565 -11.1811 -11.1811 -9.8894 -9.8894 -9.4873 -9.4873 -8.9718 -8.9718 -7.0680 -7.0680 -6.7710 -6.7710 -2.1669 -2.1669 -0.6334 -0.6334 -0.0489 -0.0489 0.0905 0.0905 0.1571 0.1571 0.3103 0.3103 0.5212 0.5212 0.7064 0.7064 0.8248 0.8248 0.8587 0.8587 0.9448 0.9448 1.1321 1.1321 2.1178 2.1178 2.9878 2.9878 3.3834 3.3834 3.5492 3.5492 3.6206 3.6206 3.9264 3.9264 4.5360 4.5360 4.8756 4.8756 5.0462 5.0462 5.2890 5.2890 5.3789 5.3789 5.5926 5.5926 5.6712 5.6712 5.7493 5.7493 6.0755 6.0755 6.2165 6.2165 6.3236 6.3236 6.6704 6.6704 9.8953 9.8953 10.3890 10.3890 11.3265 11.3265 11.6258 11.6258 12.4288 12.4288 12.5592 12.5592 13.0474 13.0474 14.1911 14.1911 15.0052 15.0052 k = 0.0658 0.3416-0.0697 ( 6848 PWs) bands (ev): -16.4235 -16.4235 -16.3844 -16.3844 -16.3794 -16.3794 -16.3560 -16.3560 -13.6537 -13.6537 -13.5745 -13.5745 -13.4508 -13.4508 -13.4395 -13.4395 -13.3593 -13.3593 -13.3564 -13.3564 -11.1903 -11.1903 -9.8925 -9.8925 -9.4875 -9.4875 -8.9620 -8.9620 -7.0707 -7.0707 -6.7710 -6.7710 -2.1450 -2.1450 -0.5904 -0.5904 -0.0490 -0.0490 0.0895 0.0895 0.1588 0.1588 0.3051 0.3051 0.5228 0.5228 0.7089 0.7089 0.8285 0.8285 0.8599 0.8599 0.9350 0.9350 1.1294 1.1294 2.0929 2.0929 3.0164 3.0164 3.3794 3.3794 3.5455 3.5455 3.6209 3.6209 3.8711 3.8711 4.5307 4.5307 4.8829 4.8829 5.0675 5.0675 5.2880 5.2880 5.3697 5.3697 5.5995 5.5995 5.6809 5.6809 5.7639 5.7639 6.0768 6.0768 6.2185 6.2185 6.3039 6.3039 6.6721 6.6721 9.8862 9.8862 10.3822 10.3822 11.3392 11.3392 11.6154 11.6154 12.4267 12.4267 12.5790 12.5790 13.0047 13.0047 14.2303 14.2303 15.0131 15.0131 k = 0.0526 0.3416-0.0697 ( 6842 PWs) bands (ev): -16.4232 -16.4232 -16.3849 -16.3849 -16.3800 -16.3800 -16.3561 -16.3561 -13.6521 -13.6521 -13.5781 -13.5781 -13.4502 -13.4502 -13.4405 -13.4405 -13.3587 -13.3587 -13.3564 -13.3564 -11.1978 -11.1978 -9.8950 -9.8950 -9.4876 -9.4876 -8.9540 -8.9540 -7.0730 -7.0730 -6.7711 -6.7711 -2.1265 -2.1265 -0.5542 -0.5542 -0.0490 -0.0490 0.0884 0.0884 0.1602 0.1602 0.3009 0.3009 0.5243 0.5243 0.7109 0.7109 0.8324 0.8324 0.8619 0.8619 0.9253 0.9253 1.1271 1.1271 2.0719 2.0719 3.0478 3.0478 3.3665 3.3665 3.5430 3.5430 3.6219 3.6219 3.8247 3.8247 4.5262 4.5262 4.8892 4.8892 5.0870 5.0870 5.2852 5.2852 5.3643 5.3643 5.6032 5.6032 5.6879 5.6879 5.7800 5.7800 6.0777 6.0777 6.2187 6.2187 6.2868 6.2868 6.6733 6.6733 9.8778 9.8778 10.3777 10.3777 11.3513 11.3513 11.6051 11.6051 12.4246 12.4246 12.5993 12.5993 12.9649 12.9649 14.2635 14.2635 15.0218 15.0218 k = 0.0395 0.3416-0.0697 ( 6844 PWs) bands (ev): -16.4230 -16.4230 -16.3854 -16.3854 -16.3804 -16.3804 -16.3561 -16.3561 -13.6506 -13.6506 -13.5812 -13.5812 -13.4497 -13.4497 -13.4415 -13.4415 -13.3583 -13.3583 -13.3563 -13.3563 -11.2037 -11.2037 -9.8970 -9.8970 -9.4877 -9.4877 -8.9477 -8.9477 -7.0747 -7.0747 -6.7711 -6.7711 -2.1119 -2.1119 -0.5254 -0.5254 -0.0490 -0.0490 0.0872 0.0872 0.1613 0.1613 0.2976 0.2976 0.5256 0.5256 0.7123 0.7123 0.8358 0.8358 0.8651 0.8651 0.9156 0.9156 1.1252 1.1252 2.0551 2.0551 3.0812 3.0812 3.3454 3.3454 3.5419 3.5419 3.6232 3.6232 3.7884 3.7884 4.5225 4.5225 4.8942 4.8942 5.1035 5.1035 5.2814 5.2814 5.3618 5.3618 5.6050 5.6050 5.6926 5.6926 5.7957 5.7957 6.0781 6.0781 6.2169 6.2169 6.2738 6.2738 6.6742 6.6742 9.8705 9.8705 10.3749 10.3749 11.3621 11.3621 11.5958 11.5958 12.4228 12.4228 12.6191 12.6191 12.9296 12.9296 14.2902 14.2902 15.0305 15.0305 k = 0.0263 0.3416-0.0697 ( 6844 PWs) bands (ev): -16.4227 -16.4227 -16.3858 -16.3858 -16.3806 -16.3806 -16.3562 -16.3562 -13.6494 -13.6494 -13.5836 -13.5836 -13.4493 -13.4493 -13.4422 -13.4422 -13.3580 -13.3580 -13.3562 -13.3562 -11.2079 -11.2079 -9.8985 -9.8985 -9.4878 -9.4878 -8.9433 -8.9433 -7.0760 -7.0760 -6.7712 -6.7712 -2.1012 -2.1012 -0.5045 -0.5045 -0.0489 -0.0489 0.0863 0.0863 0.1620 0.1620 0.2953 0.2953 0.5266 0.5266 0.7133 0.7133 0.8385 0.8385 0.8693 0.8693 0.9066 0.9066 1.1239 1.1239 2.0429 2.0429 3.1146 3.1146 3.3191 3.3191 3.5417 3.5417 3.6246 3.6246 3.7627 3.7627 4.5198 4.5198 4.8978 4.8978 5.1161 5.1161 5.2778 5.2778 5.3610 5.3610 5.6057 5.6057 5.6956 5.6956 5.8089 5.8089 6.0780 6.0780 6.2134 6.2134 6.2655 6.2655 6.6748 6.6748 9.8651 9.8651 10.3733 10.3733 11.3709 11.3709 11.5882 11.5882 12.4214 12.4214 12.6366 12.6366 12.9006 12.9006 14.3097 14.3097 15.0384 15.0384 k = 0.0132 0.3416-0.0697 ( 6840 PWs) bands (ev): -16.4226 -16.4226 -16.3861 -16.3861 -16.3807 -16.3807 -16.3562 -16.3562 -13.6486 -13.6486 -13.5850 -13.5850 -13.4490 -13.4490 -13.4427 -13.4427 -13.3579 -13.3579 -13.3561 -13.3561 -11.2104 -11.2104 -9.8993 -9.8993 -9.4879 -9.4879 -8.9406 -8.9406 -7.0767 -7.0767 -6.7712 -6.7712 -2.0948 -2.0948 -0.4918 -0.4918 -0.0489 -0.0489 0.0856 0.0856 0.1625 0.1625 0.2940 0.2940 0.5272 0.5272 0.7139 0.7139 0.8402 0.8402 0.8740 0.8740 0.8990 0.8990 1.1231 1.1231 2.0355 2.0355 3.1434 3.1434 3.2937 3.2937 3.5418 3.5418 3.6256 3.6256 3.7475 3.7475 4.5182 4.5182 4.9000 4.9000 5.1241 5.1241 5.2753 5.2753 5.3608 5.3608 5.6058 5.6058 5.6972 5.6972 5.8177 5.8177 6.0779 6.0779 6.2100 6.2100 6.2612 6.2612 6.6751 6.6751 9.8616 9.8616 10.3724 10.3724 11.3766 11.3766 11.5831 11.5831 12.4205 12.4205 12.6494 12.6494 12.8809 12.8809 14.3215 14.3215 15.0440 15.0440 k = 0.0000 0.3416-0.0697 ( 6846 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5856 -13.5856 -13.4488 -13.4488 -13.4429 -13.4429 -13.3578 -13.3578 -13.3561 -13.3561 -11.2112 -11.2112 -9.8996 -9.8996 -9.4879 -9.4879 -8.9397 -8.9397 -7.0770 -7.0770 -6.7712 -6.7712 -2.0926 -2.0926 -0.4875 -0.4875 -0.0489 -0.0489 0.0854 0.0854 0.1626 0.1626 0.2935 0.2935 0.5273 0.5273 0.7141 0.7141 0.8408 0.8408 0.8766 0.8766 0.8954 0.8954 1.1229 1.1229 2.0331 2.0331 3.1563 3.1563 3.2818 3.2818 3.5419 3.5419 3.6260 3.6260 3.7425 3.7425 4.5176 4.5176 4.9007 4.9007 5.1268 5.1268 5.2745 5.2745 5.3609 5.3609 5.6057 5.6057 5.6977 5.6977 5.8208 5.8208 6.0778 6.0778 6.2086 6.2086 6.2600 6.2600 6.6752 6.6752 9.8604 9.8604 10.3722 10.3722 11.3786 11.3786 11.5813 11.5813 12.4202 12.4202 12.6542 12.6542 12.8738 12.8738 14.3254 14.3254 15.0461 15.0461 k = 0.0000 0.3416-0.0697 ( 6846 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5856 -13.5856 -13.4488 -13.4488 -13.4429 -13.4429 -13.3578 -13.3578 -13.3561 -13.3561 -11.2112 -11.2112 -9.8996 -9.8996 -9.4879 -9.4879 -8.9397 -8.9397 -7.0770 -7.0770 -6.7712 -6.7712 -2.0926 -2.0926 -0.4875 -0.4875 -0.0489 -0.0489 0.0854 0.0854 0.1626 0.1626 0.2935 0.2935 0.5273 0.5273 0.7141 0.7141 0.8408 0.8408 0.8766 0.8766 0.8954 0.8954 1.1229 1.1229 2.0331 2.0331 3.1563 3.1563 3.2818 3.2818 3.5419 3.5419 3.6260 3.6260 3.7425 3.7425 4.5176 4.5176 4.9007 4.9007 5.1268 5.1268 5.2745 5.2745 5.3609 5.3609 5.6057 5.6057 5.6977 5.6977 5.8208 5.8208 6.0778 6.0778 6.2086 6.2086 6.2600 6.2600 6.6752 6.6752 9.8604 9.8604 10.3722 10.3722 11.3786 11.3786 11.5813 11.5813 12.4202 12.4202 12.6542 12.6542 12.8738 12.8738 14.3254 14.3254 15.0461 15.0461 k = 0.0000 0.3441-0.0574 ( 6840 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5855 -13.5855 -13.4488 -13.4488 -13.4429 -13.4429 -13.3578 -13.3578 -13.3561 -13.3561 -11.2109 -11.2109 -9.9013 -9.9013 -9.4861 -9.4861 -8.9400 -8.9400 -7.0768 -7.0768 -6.7713 -6.7713 -2.0926 -2.0926 -0.4891 -0.4891 -0.0489 -0.0489 0.0855 0.0855 0.1627 0.1627 0.2945 0.2945 0.5272 0.5272 0.7140 0.7140 0.8415 0.8415 0.8765 0.8765 0.8962 0.8962 1.1231 1.1231 2.0333 2.0333 3.1554 3.1554 3.2810 3.2810 3.5419 3.5419 3.6274 3.6274 3.7423 3.7423 4.5173 4.5173 4.9020 4.9020 5.1265 5.1265 5.2754 5.2754 5.3603 5.3603 5.6049 5.6049 5.6973 5.6973 5.8194 5.8194 6.0757 6.0757 6.2080 6.2080 6.2615 6.2615 6.6751 6.6751 9.8610 9.8610 10.3752 10.3752 11.3777 11.3777 11.5824 11.5824 12.4199 12.4199 12.6563 12.6563 12.8743 12.8743 14.3252 14.3252 15.0356 15.0356 k = 0.0000 0.3466-0.0451 ( 6849 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5855 -13.5855 -13.4488 -13.4488 -13.4429 -13.4429 -13.3578 -13.3578 -13.3561 -13.3561 -11.2102 -11.2102 -9.9062 -9.9062 -9.4810 -9.4810 -8.9410 -8.9410 -7.0764 -7.0764 -6.7718 -6.7718 -2.0924 -2.0924 -0.4937 -0.4937 -0.0490 -0.0490 0.0858 0.0858 0.1626 0.1626 0.2974 0.2974 0.5269 0.5269 0.7140 0.7140 0.8435 0.8435 0.8763 0.8763 0.8981 0.8981 1.1240 1.1240 2.0338 2.0338 3.1530 3.1530 3.2787 3.2787 3.5419 3.5419 3.6315 3.6315 3.7418 3.7418 4.5167 4.5167 4.9056 4.9056 5.1258 5.1258 5.2783 5.2783 5.3586 5.3586 5.6025 5.6025 5.6964 5.6964 5.8150 5.8150 6.0700 6.0700 6.2064 6.2064 6.2655 6.2655 6.6747 6.6747 9.8627 9.8627 10.3840 10.3840 11.3751 11.3751 11.5856 11.5856 12.4187 12.4187 12.6626 12.6626 12.8757 12.8757 14.3245 14.3245 15.0103 15.0103 k = 0.0000 0.3491-0.0328 ( 6850 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5855 -13.5855 -13.4488 -13.4488 -13.4430 -13.4430 -13.3578 -13.3578 -13.3561 -13.3561 -11.2089 -11.2089 -9.9141 -9.9141 -9.4727 -9.4727 -8.9426 -8.9426 -7.0758 -7.0758 -6.7725 -6.7725 -2.0923 -2.0923 -0.5012 -0.5012 -0.0490 -0.0490 0.0862 0.0862 0.1625 0.1625 0.3021 0.3021 0.5264 0.5264 0.7139 0.7139 0.8468 0.8468 0.8762 0.8762 0.9011 0.9011 1.1255 1.1255 2.0348 2.0348 3.1490 3.1490 3.2748 3.2748 3.5422 3.5422 3.6379 3.6379 3.7411 3.7411 4.5158 4.5158 4.9112 4.9112 5.1247 5.1247 5.2828 5.2828 5.3559 5.3559 5.5985 5.5985 5.6949 5.6949 5.8078 5.8078 6.0611 6.0611 6.2039 6.2039 6.2713 6.2713 6.6741 6.6741 9.8658 9.8658 10.3985 10.3985 11.3710 11.3710 11.5908 11.5908 12.4168 12.4168 12.6729 12.6729 12.8781 12.8781 14.3233 14.3233 14.9766 14.9766 k = 0.0000 0.3516-0.0206 ( 6841 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3562 -16.3562 -13.6484 -13.6484 -13.5854 -13.5854 -13.4488 -13.4488 -13.4431 -13.4431 -13.3578 -13.3578 -13.3560 -13.3560 -11.2071 -11.2071 -9.9245 -9.9245 -9.4616 -9.4616 -8.9448 -8.9448 -7.0749 -7.0749 -6.7735 -6.7735 -2.0920 -2.0920 -0.5112 -0.5112 -0.0491 -0.0491 0.0866 0.0866 0.1625 0.1625 0.3084 0.3084 0.5259 0.5259 0.7140 0.7140 0.8512 0.8512 0.8764 0.8764 0.9051 0.9051 1.1277 1.1277 2.0362 2.0362 3.1437 3.1437 3.2693 3.2693 3.5429 3.5429 3.6458 3.6458 3.7405 3.7405 4.5152 4.5152 4.9183 4.9183 5.1233 5.1233 5.2887 5.2887 5.3523 5.3523 5.5928 5.5928 5.6931 5.6931 5.7981 5.7981 6.0501 6.0501 6.2008 6.2008 6.2780 6.2780 6.6731 6.6731 9.8702 9.8702 10.4179 10.4179 11.3657 11.3657 11.5979 11.5979 12.4140 12.4140 12.6872 12.6872 12.8815 12.8815 14.3217 14.3217 14.9370 14.9370 k = 0.0000 0.3541-0.0083 ( 6849 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3563 -16.3563 -13.6484 -13.6484 -13.5853 -13.5853 -13.4488 -13.4488 -13.4433 -13.4433 -13.3578 -13.3578 -13.3560 -13.3560 -11.2049 -11.2049 -9.9369 -9.9369 -9.4484 -9.4484 -8.9477 -8.9477 -7.0738 -7.0738 -6.7748 -6.7748 -2.0918 -2.0918 -0.5233 -0.5233 -0.0492 -0.0492 0.0869 0.0869 0.1622 0.1622 0.3157 0.3157 0.5252 0.5252 0.7142 0.7142 0.8564 0.8564 0.8770 0.8770 0.9096 0.9096 1.1306 1.1306 2.0379 2.0379 3.1374 3.1374 3.2624 3.2624 3.5439 3.5439 3.6548 3.6548 3.7405 3.7405 4.5154 4.5154 4.9262 4.9262 5.1218 5.1218 5.2955 5.2955 5.3479 5.3479 5.5856 5.5856 5.6909 5.6909 5.7860 5.7860 6.0378 6.0378 6.1972 6.1972 6.2847 6.2847 6.6717 6.6717 9.8762 9.8762 10.4416 10.4416 11.3596 11.3596 11.6066 11.6066 12.4104 12.4104 12.7053 12.7053 12.8859 12.8859 14.3194 14.3194 14.8928 14.8928 k = 0.0000 0.3566 0.0040 ( 6850 PWs) bands (ev): -16.4225 -16.4225 -16.3862 -16.3862 -16.3807 -16.3807 -16.3563 -16.3563 -13.6484 -13.6484 -13.5852 -13.5852 -13.4488 -13.4488 -13.4435 -13.4435 -13.3578 -13.3578 -13.3560 -13.3560 -11.2022 -11.2022 -9.9509 -9.9509 -9.4333 -9.4333 -8.9512 -8.9512 -7.0725 -7.0725 -6.7763 -6.7763 -2.0915 -2.0915 -0.5370 -0.5370 -0.0493 -0.0493 0.0870 0.0870 0.1620 0.1620 0.3239 0.3239 0.5245 0.5245 0.7146 0.7146 0.8618 0.8618 0.8784 0.8784 0.9148 0.9148 1.1344 1.1344 2.0399 2.0399 3.1304 3.1304 3.2540 3.2540 3.5450 3.5450 3.6642 3.6642 3.7416 3.7416 4.5166 4.5166 4.9342 4.9342 5.1203 5.1203 5.3022 5.3022 5.3435 5.3435 5.5768 5.5768 5.6887 5.6887 5.7722 5.7722 6.0248 6.0248 6.1931 6.1931 6.2910 6.2910 6.6700 6.6700 9.8840 9.8840 10.4689 10.4689 11.3531 11.3531 11.6167 11.6167 12.4058 12.4058 12.7268 12.7268 12.8912 12.8912 14.3166 14.3166 14.8450 14.8450 k = 0.0000 0.3591 0.0163 ( 6847 PWs) bands (ev): -16.4225 -16.4225 -16.3861 -16.3861 -16.3807 -16.3807 -16.3563 -16.3563 -13.6484 -13.6484 -13.5851 -13.5851 -13.4488 -13.4488 -13.4437 -13.4437 -13.3579 -13.3579 -13.3560 -13.3560 -11.1992 -11.1992 -9.9659 -9.9659 -9.4169 -9.4169 -8.9553 -8.9553 -7.0710 -7.0710 -6.7780 -6.7780 -2.0912 -2.0912 -0.5518 -0.5518 -0.0493 -0.0493 0.0868 0.0868 0.1617 0.1617 0.3324 0.3324 0.5239 0.5239 0.7153 0.7153 0.8667 0.8667 0.8812 0.8812 0.9204 0.9204 1.1389 1.1389 2.0422 2.0422 3.1228 3.1228 3.2444 3.2444 3.5460 3.5460 3.6737 3.6737 3.7440 3.7440 4.5195 4.5195 4.9417 4.9417 5.1190 5.1190 5.3068 5.3068 5.3406 5.3406 5.5668 5.5668 5.6864 5.6864 5.7572 5.7572 6.0115 6.0115 6.1885 6.1885 6.2967 6.2967 6.6679 6.6679 9.8935 9.8935 10.4989 10.4989 11.3466 11.3466 11.6283 11.6283 12.4000 12.4000 12.7515 12.7515 12.8977 12.8977 14.3130 14.3130 14.7945 14.7945 k = 0.0000 0.3616 0.0285 ( 6853 PWs) bands (ev): -16.4225 -16.4225 -16.3861 -16.3861 -16.3807 -16.3807 -16.3563 -16.3563 -13.6484 -13.6484 -13.5850 -13.5850 -13.4488 -13.4488 -13.4439 -13.4439 -13.3579 -13.3579 -13.3560 -13.3560 -11.1959 -11.1959 -9.9816 -9.9816 -9.3995 -9.3995 -8.9599 -8.9599 -7.0693 -7.0693 -6.7799 -6.7799 -2.0910 -2.0910 -0.5672 -0.5672 -0.0493 -0.0493 0.0864 0.0864 0.1613 0.1613 0.3408 0.3408 0.5234 0.5234 0.7164 0.7164 0.8702 0.8702 0.8859 0.8859 0.9263 0.9263 1.1442 1.1442 2.0447 2.0447 3.1151 3.1151 3.2336 3.2336 3.5463 3.5463 3.6833 3.6833 3.7481 3.7481 4.5242 4.5242 4.9478 4.9478 5.1177 5.1177 5.3063 5.3063 5.3421 5.3421 5.5555 5.5555 5.6840 5.6840 5.7420 5.7420 5.9981 5.9981 6.1835 6.1835 6.3013 6.3013 6.6654 6.6654 9.9048 9.9048 10.5306 10.5306 11.3406 11.3406 11.6412 11.6412 12.3931 12.3931 12.7787 12.7787 12.9055 12.9055 14.3084 14.3084 14.7424 14.7424 k = 0.0000 0.3641 0.0408 ( 6851 PWs) bands (ev): -16.4225 -16.4225 -16.3861 -16.3861 -16.3807 -16.3807 -16.3563 -16.3563 -13.6484 -13.6484 -13.5849 -13.5849 -13.4488 -13.4488 -13.4442 -13.4442 -13.3579 -13.3579 -13.3559 -13.3559 -11.1923 -11.1923 -9.9977 -9.9977 -9.3815 -9.3815 -8.9652 -8.9652 -7.0674 -7.0674 -6.7820 -6.7820 -2.0909 -2.0909 -0.5829 -0.5829 -0.0493 -0.0493 0.0857 0.0857 0.1609 0.1609 0.3488 0.3488 0.5231 0.5231 0.7179 0.7179 0.8723 0.8723 0.8922 0.8922 0.9324 0.9324 1.1505 1.1505 2.0474 2.0474 3.1074 3.1074 3.2220 3.2220 3.5457 3.5457 3.6932 3.6932 3.7535 3.7535 4.5312 4.5312 4.9522 4.9522 5.1166 5.1166 5.2999 5.2999 5.3483 5.3483 5.5432 5.5432 5.6816 5.6816 5.7274 5.7274 5.9848 5.9848 6.1781 6.1781 6.3051 6.3051 6.6625 6.6625 9.9176 9.9176 10.5631 10.5631 11.3356 11.3356 11.6553 11.6553 12.3847 12.3847 12.8077 12.8077 12.9152 12.9152 14.3024 14.3024 14.6898 14.6898 k = 0.0000 0.3666 0.0531 ( 6854 PWs) bands (ev): -16.4225 -16.4225 -16.3861 -16.3861 -16.3807 -16.3807 -16.3564 -16.3564 -13.6484 -13.6484 -13.5847 -13.5847 -13.4488 -13.4488 -13.4444 -13.4444 -13.3579 -13.3579 -13.3559 -13.3559 -11.1885 -11.1885 -10.0137 -10.0137 -9.3631 -9.3631 -8.9710 -8.9710 -7.0654 -7.0654 -6.7842 -6.7842 -2.0908 -2.0908 -0.5984 -0.5984 -0.0492 -0.0492 0.0847 0.0847 0.1604 0.1604 0.3561 0.3561 0.5228 0.5228 0.7198 0.7198 0.8738 0.8738 0.8993 0.8993 0.9386 0.9386 1.1578 1.1578 2.0502 2.0502 3.1000 3.1000 3.2097 3.2097 3.5437 3.5437 3.7040 3.7040 3.7600 3.7600 4.5404 4.5404 4.9544 4.9544 5.1157 5.1157 5.2895 5.2895 5.3569 5.3569 5.5299 5.5299 5.6789 5.6789 5.7148 5.7148 5.9714 5.9714 6.1724 6.1724 6.3078 6.3078 6.6593 6.6593 9.9320 9.9320 10.5954 10.5954 11.3320 11.3320 11.6707 11.6707 12.3748 12.3748 12.8368 12.8368 12.9279 12.9279 14.2946 14.2946 14.6381 14.6381 k = 0.0000 0.3691 0.0654 ( 6854 PWs) bands (ev): -16.4225 -16.4225 -16.3861 -16.3861 -16.3807 -16.3807 -16.3564 -16.3564 -13.6484 -13.6484 -13.5846 -13.5846 -13.4487 -13.4487 -13.4447 -13.4447 -13.3579 -13.3579 -13.3558 -13.3558 -11.1846 -11.1846 -10.0294 -10.0294 -9.3446 -9.3446 -8.9774 -8.9774 -7.0634 -7.0634 -6.7865 -6.7865 -2.0909 -2.0909 -0.6134 -0.6134 -0.0490 -0.0490 0.0837 0.0837 0.1599 0.1599 0.3626 0.3626 0.5227 0.5227 0.7221 0.7221 0.8749 0.8749 0.9064 0.9064 0.9446 0.9446 1.1658 1.1658 2.0532 2.0532 3.0930 3.0930 3.1970 3.1970 3.5404 3.5404 3.7161 3.7161 3.7668 3.7668 4.5521 4.5521 4.9541 4.9541 5.1148 5.1148 5.2765 5.2765 5.3663 5.3663 5.5160 5.5160 5.6760 5.6760 5.7049 5.7049 5.9579 5.9579 6.1664 6.1664 6.3097 6.3097 6.6558 6.6558 9.9475 9.9475 10.6264 10.6264 11.3305 11.3305 11.6874 11.6874 12.3631 12.3631 12.8635 12.8635 12.9458 12.9458 14.2841 14.2841 14.5889 14.5889 k = 0.0000 0.3716 0.0777 ( 6861 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3807 -16.3807 -16.3564 -16.3564 -13.6484 -13.6484 -13.5845 -13.5845 -13.4487 -13.4487 -13.4450 -13.4450 -13.3579 -13.3579 -13.3558 -13.3558 -11.1806 -11.1806 -10.0445 -10.0445 -9.3262 -9.3262 -8.9842 -8.9842 -7.0612 -7.0612 -6.7888 -6.7888 -2.0911 -2.0911 -0.6276 -0.6276 -0.0489 -0.0489 0.0825 0.0825 0.1593 0.1593 0.3681 0.3681 0.5227 0.5227 0.7248 0.7248 0.8758 0.8758 0.9133 0.9133 0.9503 0.9503 1.1746 1.1746 2.0561 2.0561 3.0865 3.0865 3.1843 3.1843 3.5358 3.5358 3.7297 3.7297 3.7735 3.7735 4.5663 4.5663 4.9512 4.9512 5.1139 5.1139 5.2612 5.2612 5.3757 5.3757 5.5015 5.5015 5.6729 5.6729 5.6983 5.6983 5.9442 5.9442 6.1604 6.1604 6.3109 6.3109 6.6521 6.6521 9.9638 9.9638 10.6551 10.6551 11.3315 11.3315 11.7052 11.7052 12.3496 12.3496 12.8851 12.8851 12.9710 12.9710 14.2699 14.2699 14.5438 14.5438 k = 0.0000 0.3742 0.0899 ( 6866 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6484 -13.6484 -13.5843 -13.5843 -13.4487 -13.4487 -13.4452 -13.4452 -13.3580 -13.3580 -13.3558 -13.3558 -11.1767 -11.1767 -10.0588 -10.0588 -9.3082 -9.3082 -8.9914 -8.9914 -7.0591 -7.0591 -6.7912 -6.7912 -2.0914 -2.0914 -0.6407 -0.6407 -0.0487 -0.0487 0.0812 0.0812 0.1588 0.1588 0.3727 0.3727 0.5227 0.5227 0.7276 0.7276 0.8766 0.8766 0.9197 0.9197 0.9556 0.9556 1.1839 1.1839 2.0590 2.0590 3.0806 3.0806 3.1719 3.1719 3.5302 3.5302 3.7446 3.7446 3.7799 3.7799 4.5827 4.5827 4.9459 4.9459 5.1130 5.1130 5.2442 5.2442 5.3848 5.3848 5.4868 5.4868 5.6704 5.6704 5.6945 5.6945 5.9301 5.9301 6.1543 6.1543 6.3115 6.3115 6.6483 6.6483 9.9806 9.9806 10.6808 10.6808 11.3355 11.3355 11.7243 11.7243 12.3340 12.3340 12.9010 12.9010 13.0037 13.0037 14.2508 14.2508 14.5048 14.5048 k = 0.0000 0.3767 0.1022 ( 6859 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6485 -13.6485 -13.5842 -13.5842 -13.4486 -13.4486 -13.4455 -13.4455 -13.3580 -13.3580 -13.3557 -13.3557 -11.1730 -11.1730 -10.0721 -10.0721 -9.2908 -9.2908 -8.9990 -8.9990 -7.0570 -7.0570 -6.7935 -6.7935 -2.0919 -2.0919 -0.6525 -0.6525 -0.0484 -0.0484 0.0800 0.0800 0.1583 0.1583 0.3765 0.3765 0.5227 0.5227 0.7306 0.7306 0.8774 0.8774 0.9255 0.9255 0.9604 0.9604 1.1936 1.1936 2.0618 2.0618 3.0753 3.0753 3.1603 3.1603 3.5239 3.5239 3.7597 3.7597 3.7865 3.7865 4.6013 4.6013 4.9383 4.9383 5.1118 5.1118 5.2257 5.2257 5.3929 5.3929 5.4723 5.4723 5.6689 5.6689 5.6930 5.6930 5.9157 5.9157 6.1483 6.1483 6.3119 6.3119 6.6445 6.6445 9.9974 9.9974 10.7026 10.7026 11.3429 11.3429 11.7446 11.7446 12.3164 12.3164 12.9127 12.9127 13.0413 13.0413 14.2261 14.2261 14.4734 14.4734 k = 0.0000 0.3792 0.1145 ( 6861 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6485 -13.6485 -13.5841 -13.5841 -13.4486 -13.4486 -13.4458 -13.4458 -13.3580 -13.3580 -13.3557 -13.3557 -11.1695 -11.1695 -10.0843 -10.0843 -9.2741 -9.2741 -9.0067 -9.0067 -7.0549 -7.0549 -6.7957 -6.7957 -2.0927 -2.0927 -0.6629 -0.6629 -0.0481 -0.0481 0.0787 0.0787 0.1578 0.1578 0.3794 0.3794 0.5228 0.5228 0.7335 0.7335 0.8780 0.8780 0.9307 0.9307 0.9644 0.9644 1.2032 1.2032 2.0643 2.0643 3.0707 3.0707 3.1498 3.1498 3.5172 3.5172 3.7717 3.7717 3.7961 3.7961 4.6217 4.6217 4.9290 4.9290 5.1101 5.1101 5.2062 5.2062 5.3997 5.3997 5.4587 5.4587 5.6685 5.6685 5.6932 5.6932 5.9011 5.9011 6.1425 6.1425 6.3121 6.3121 6.6407 6.6407 10.0137 10.0137 10.7201 10.7201 11.3536 11.3536 11.7660 11.7660 12.2966 12.2966 12.9220 12.9220 13.0814 13.0814 14.1963 14.1963 14.4497 14.4497 k = 0.0000 0.3817 0.1268 ( 6866 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6485 -13.6485 -13.5840 -13.5840 -13.4486 -13.4486 -13.4460 -13.4460 -13.3581 -13.3581 -13.3556 -13.3556 -11.1662 -11.1662 -10.0951 -10.0951 -9.2584 -9.2584 -9.0145 -9.0145 -7.0530 -7.0530 -6.7977 -6.7977 -2.0935 -2.0935 -0.6717 -0.6717 -0.0479 -0.0479 0.0776 0.0776 0.1572 0.1572 0.3817 0.3817 0.5228 0.5228 0.7363 0.7363 0.8785 0.8785 0.9352 0.9352 0.9677 0.9677 1.2126 1.2126 2.0667 2.0667 3.0667 3.0667 3.1409 3.1409 3.5104 3.5104 3.7773 3.7773 3.8118 3.8118 4.6433 4.6433 4.9185 4.9185 5.1077 5.1077 5.1866 5.1866 5.4039 5.4039 5.4476 5.4476 5.6686 5.6686 5.6947 5.6947 5.8865 5.8865 6.1372 6.1372 6.3123 6.3123 6.6370 6.6370 10.0291 10.0291 10.7331 10.7331 11.3675 11.3675 11.7885 11.7885 12.2748 12.2748 12.9296 12.9296 13.1221 13.1221 14.1631 14.1631 14.4329 14.4329 k = 0.0000 0.3842 0.1390 ( 6868 PWs) bands (ev): -16.4225 -16.4225 -16.3860 -16.3860 -16.3806 -16.3806 -16.3565 -16.3565 -13.6485 -13.6485 -13.5839 -13.5839 -13.4485 -13.4485 -13.4462 -13.4462 -13.3581 -13.3581 -13.3556 -13.3556 -11.1634 -11.1634 -10.1045 -10.1045 -9.2441 -9.2441 -9.0221 -9.0221 -7.0512 -7.0512 -6.7996 -6.7996 -2.0946 -2.0946 -0.6788 -0.6788 -0.0476 -0.0476 0.0765 0.0765 0.1568 0.1568 0.3834 0.3834 0.5228 0.5228 0.7388 0.7388 0.8790 0.8790 0.9389 0.9389 0.9703 0.9703 1.2212 1.2212 2.0687 2.0687 3.0632 3.0632 3.1339 3.1339 3.5037 3.5037 3.7781 3.7781 3.8316 3.8316 4.6655 4.6655 4.9075 4.9075 5.1039 5.1039 5.1680 5.1680 5.4033 5.4033 5.4413 5.4413 5.6686 5.6686 5.6971 5.6971 5.8723 5.8723 6.1324 6.1324 6.3128 6.3128 6.6337 6.6337 10.0430 10.0430 10.7418 10.7418 11.3841 11.3841 11.8119 11.8119 12.2511 12.2511 12.9360 12.9360 13.1616 13.1616 14.1292 14.1292 14.4213 14.4213 k = 0.5000 0.2990 0.2784 ( 6806 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3489 -16.3489 -13.5584 -13.5584 -13.5574 -13.5574 -13.4365 -13.4365 -13.4358 -13.4358 -13.3605 -13.3605 -13.3600 -13.3600 -10.1177 -10.1177 -10.1174 -10.1174 -9.5912 -9.5912 -9.5911 -9.5911 -6.8451 -6.8451 -6.8451 -6.8451 -2.6834 -2.6834 -2.6827 -2.6827 0.0432 0.0432 0.0753 0.0753 0.3183 0.3183 0.3395 0.3395 0.6195 0.6195 0.6633 0.6633 0.8945 0.8945 0.9093 0.9093 1.0980 1.0980 1.1059 1.1059 2.7970 2.7970 2.8472 2.8472 3.3138 3.3138 3.3413 3.3413 3.6901 3.6901 3.8135 3.8135 4.7233 4.7233 4.7766 4.7766 5.2102 5.2102 5.2139 5.2139 5.4645 5.4645 5.4784 5.4784 5.7222 5.7222 5.7748 5.7748 6.0313 6.0313 6.0735 6.0735 6.6677 6.6677 6.6755 6.6755 10.3174 10.3174 10.3186 10.3186 11.5834 11.5834 11.6162 11.6162 12.6444 12.6444 12.7166 12.7166 13.4610 13.4610 13.4662 13.4662 14.5304 14.5304 k = 0.5000 0.2860 0.2784 ( 6806 PWs) bands (ev): -16.3985 -16.3985 -16.3983 -16.3983 -16.3492 -16.3492 -16.3489 -16.3489 -13.5586 -13.5586 -13.5573 -13.5573 -13.4366 -13.4366 -13.4356 -13.4356 -13.3606 -13.3606 -13.3599 -13.3599 -10.1177 -10.1177 -10.1175 -10.1175 -9.5915 -9.5915 -9.5913 -9.5913 -6.8451 -6.8451 -6.8450 -6.8450 -2.6824 -2.6824 -2.6818 -2.6818 0.0440 0.0440 0.0766 0.0766 0.3161 0.3161 0.3415 0.3415 0.6198 0.6198 0.6654 0.6654 0.8936 0.8936 0.9109 0.9109 1.0966 1.0966 1.1062 1.1062 2.8027 2.8027 2.8532 2.8532 3.3134 3.3134 3.3344 3.3344 3.6972 3.6972 3.8083 3.8083 4.6913 4.6913 4.7622 4.7622 5.2061 5.2061 5.2125 5.2125 5.4758 5.4758 5.4942 5.4942 5.7325 5.7325 5.7864 5.7864 6.0228 6.0228 6.0697 6.0697 6.6649 6.6649 6.6723 6.6723 10.3132 10.3132 10.3261 10.3261 11.5609 11.5609 11.6333 11.6333 12.6585 12.6585 12.7233 12.7233 13.4427 13.4427 13.4484 13.4484 14.5462 14.5462 k = 0.5000 0.2730 0.2784 ( 6804 PWs) bands (ev): -16.3986 -16.3986 -16.3982 -16.3982 -16.3493 -16.3493 -16.3488 -16.3488 -13.5588 -13.5588 -13.5572 -13.5572 -13.4366 -13.4366 -13.4355 -13.4355 -13.3606 -13.3606 -13.3598 -13.3598 -10.1178 -10.1178 -10.1176 -10.1176 -9.5918 -9.5918 -9.5916 -9.5916 -6.8450 -6.8450 -6.8448 -6.8448 -2.6814 -2.6814 -2.6809 -2.6809 0.0454 0.0454 0.0783 0.0783 0.3141 0.3141 0.3434 0.3434 0.6206 0.6206 0.6678 0.6678 0.8928 0.8928 0.9125 0.9125 1.0952 1.0952 1.1062 1.1062 2.8095 2.8095 2.8600 2.8600 3.3109 3.3109 3.3262 3.3262 3.7059 3.7059 3.8046 3.8046 4.6598 4.6598 4.7477 4.7477 5.2009 5.2009 5.2093 5.2093 5.4866 5.4866 5.5090 5.5090 5.7426 5.7426 5.7973 5.7973 6.0140 6.0140 6.0660 6.0660 6.6605 6.6605 6.6677 6.6677 10.3105 10.3105 10.3352 10.3352 11.5408 11.5408 11.6532 11.6532 12.6724 12.6724 12.7294 12.7294 13.4143 13.4143 13.4338 13.4338 14.5670 14.5670 k = 0.5000 0.2600 0.2784 ( 6800 PWs) bands (ev): -16.3986 -16.3986 -16.3982 -16.3982 -16.3493 -16.3493 -16.3488 -16.3488 -13.5590 -13.5590 -13.5571 -13.5571 -13.4367 -13.4367 -13.4353 -13.4353 -13.3607 -13.3607 -13.3597 -13.3597 -10.1179 -10.1179 -10.1177 -10.1177 -9.5921 -9.5921 -9.5919 -9.5919 -6.8448 -6.8448 -6.8447 -6.8447 -2.6804 -2.6804 -2.6799 -2.6799 0.0473 0.0473 0.0804 0.0804 0.3121 0.3121 0.3452 0.3452 0.6218 0.6218 0.6704 0.6704 0.8921 0.8921 0.9140 0.9140 1.0938 1.0938 1.1059 1.1059 2.8174 2.8174 2.8676 2.8676 3.3062 3.3062 3.3168 3.3168 3.7161 3.7161 3.8026 3.8026 4.6292 4.6292 4.7331 4.7331 5.1945 5.1945 5.2042 5.2042 5.4969 5.4969 5.5228 5.5228 5.7524 5.7524 5.8074 5.8074 6.0050 6.0050 6.0627 6.0627 6.6545 6.6545 6.6619 6.6619 10.3093 10.3093 10.3458 10.3458 11.5233 11.5233 11.6758 11.6758 12.6862 12.6862 12.7346 12.7346 13.3815 13.3815 13.4176 13.4176 14.5921 14.5921 k = 0.5000 0.2470 0.2784 ( 6804 PWs) bands (ev): -16.3987 -16.3987 -16.3982 -16.3982 -16.3493 -16.3493 -16.3488 -16.3488 -13.5592 -13.5592 -13.5570 -13.5570 -13.4367 -13.4367 -13.4352 -13.4352 -13.3607 -13.3607 -13.3596 -13.3596 -10.1180 -10.1180 -10.1178 -10.1178 -9.5924 -9.5924 -9.5922 -9.5922 -6.8446 -6.8446 -6.8445 -6.8445 -2.6794 -2.6794 -2.6790 -2.6790 0.0498 0.0498 0.0827 0.0827 0.3103 0.3103 0.3467 0.3467 0.6234 0.6234 0.6732 0.6732 0.8915 0.8915 0.9154 0.9154 1.0923 1.0923 1.1054 1.1054 2.8265 2.8265 2.8758 2.8758 3.2992 3.2992 3.3066 3.3066 3.7273 3.7273 3.8025 3.8025 4.5999 4.5999 4.7186 4.7186 5.1869 5.1869 5.1975 5.1975 5.5062 5.5062 5.5352 5.5352 5.7620 5.7620 5.8165 5.8165 5.9962 5.9962 6.0600 6.0600 6.6471 6.6471 6.6549 6.6549 10.3097 10.3097 10.3578 10.3578 11.5084 11.5084 11.7010 11.7010 12.6995 12.6995 12.7386 12.7386 13.3451 13.3451 13.3999 13.3999 14.6207 14.6207 k = 0.5000 0.2340 0.2784 ( 6808 PWs) bands (ev): -16.3987 -16.3987 -16.3982 -16.3982 -16.3493 -16.3493 -16.3487 -16.3487 -13.5594 -13.5594 -13.5570 -13.5570 -13.4367 -13.4367 -13.4350 -13.4350 -13.3607 -13.3607 -13.3595 -13.3595 -10.1182 -10.1182 -10.1180 -10.1180 -9.5927 -9.5927 -9.5925 -9.5925 -6.8444 -6.8444 -6.8442 -6.8442 -2.6783 -2.6783 -2.6780 -2.6780 0.0527 0.0527 0.0854 0.0854 0.3086 0.3086 0.3481 0.3481 0.6256 0.6256 0.6762 0.6762 0.8909 0.8909 0.9166 0.9166 1.0909 1.0909 1.1047 1.1047 2.8366 2.8366 2.8843 2.8843 3.2899 3.2899 3.2961 3.2961 3.7393 3.7393 3.8042 3.8042 4.5721 4.5721 4.7042 4.7042 5.1781 5.1781 5.1892 5.1892 5.5143 5.5143 5.5461 5.5461 5.7713 5.7713 5.8244 5.8244 5.9880 5.9880 6.0581 6.0581 6.6383 6.6383 6.6467 6.6467 10.3116 10.3116 10.3709 10.3709 11.4963 11.4963 11.7285 11.7285 12.7123 12.7123 12.7409 12.7409 13.3063 13.3063 13.3811 13.3811 14.6522 14.6522 k = 0.5000 0.2210 0.2784 ( 6816 PWs) bands (ev): -16.3987 -16.3987 -16.3982 -16.3982 -16.3493 -16.3493 -16.3487 -16.3487 -13.5595 -13.5595 -13.5570 -13.5570 -13.4366 -13.4366 -13.4349 -13.4349 -13.3607 -13.3607 -13.3595 -13.3595 -10.1184 -10.1184 -10.1183 -10.1183 -9.5931 -9.5931 -9.5929 -9.5929 -6.8441 -6.8441 -6.8440 -6.8440 -2.6773 -2.6773 -2.6770 -2.6770 0.0562 0.0562 0.0882 0.0882 0.3070 0.3070 0.3491 0.3491 0.6282 0.6282 0.6794 0.6794 0.8904 0.8904 0.9177 0.9177 1.0894 1.0894 1.1037 1.1037 2.8477 2.8477 2.8930 2.8930 3.2785 3.2785 3.2854 3.2854 3.7516 3.7516 3.8077 3.8077 4.5462 4.5462 4.6900 4.6900 5.1683 5.1683 5.1795 5.1795 5.5205 5.5205 5.5551 5.5551 5.7805 5.7805 5.8311 5.8311 5.9807 5.9807 6.0576 6.0576 6.6282 6.6282 6.6376 6.6376 10.3150 10.3150 10.3851 10.3851 11.4871 11.4871 11.7583 11.7583 12.7245 12.7245 12.7410 12.7410 13.2659 13.2659 13.3612 13.3612 14.6857 14.6857 k = 0.5000 0.2080 0.2784 ( 6818 PWs) bands (ev): -16.3987 -16.3987 -16.3982 -16.3982 -16.3493 -16.3493 -16.3487 -16.3487 -13.5597 -13.5597 -13.5570 -13.5570 -13.4366 -13.4366 -13.4347 -13.4347 -13.3607 -13.3607 -13.3594 -13.3594 -10.1187 -10.1187 -10.1185 -10.1185 -9.5934 -9.5934 -9.5932 -9.5932 -6.8439 -6.8439 -6.8437 -6.8437 -2.6762 -2.6762 -2.6760 -2.6760 0.0600 0.0600 0.0913 0.0913 0.3056 0.3056 0.3499 0.3499 0.6314 0.6314 0.6826 0.6826 0.8899 0.8899 0.9186 0.9186 1.0881 1.0881 1.1026 1.1026 2.8597 2.8597 2.9017 2.9017 3.2653 3.2653 3.2750 3.2750 3.7639 3.7639 3.8128 3.8128 4.5225 4.5225 4.6762 4.6762 5.1579 5.1579 5.1686 5.1686 5.5244 5.5244 5.5619 5.5619 5.7894 5.7894 5.8364 5.8364 5.9750 5.9750 6.0585 6.0585 6.6169 6.6169 6.6276 6.6276 10.3199 10.3199 10.3999 10.3999 11.4810 11.4810 11.7899 11.7899 12.7361 12.7361 12.7384 12.7384 13.2253 13.2253 13.3402 13.3402 14.7206 14.7206 k = 0.5000 0.1950 0.2784 ( 6836 PWs) bands (ev): -16.3988 -16.3988 -16.3982 -16.3982 -16.3493 -16.3493 -16.3487 -16.3487 -13.5598 -13.5598 -13.5570 -13.5570 -13.4365 -13.4365 -13.4346 -13.4346 -13.3607 -13.3607 -13.3593 -13.3593 -10.1189 -10.1189 -10.1188 -10.1188 -9.5938 -9.5938 -9.5935 -9.5935 -6.8436 -6.8436 -6.8434 -6.8434 -2.6752 -2.6752 -2.6750 -2.6750 0.0642 0.0642 0.0944 0.0944 0.3043 0.3043 0.3503 0.3503 0.6350 0.6350 0.6860 0.6860 0.8895 0.8895 0.9192 0.9192 1.0868 1.0868 1.1012 1.1012 2.8725 2.8725 2.9100 2.9100 3.2506 3.2506 3.2653 3.2653 3.7759 3.7759 3.8192 3.8192 4.5013 4.5013 4.6628 4.6628 5.1470 5.1470 5.1568 5.1568 5.5254 5.5254 5.5661 5.5661 5.7980 5.7980 5.8404 5.8404 5.9714 5.9714 6.0613 6.0613 6.6046 6.6046 6.6169 6.6169 10.3261 10.3261 10.4151 10.4151 11.4780 11.4780 11.8229 11.8229 12.7325 12.7325 12.7470 12.7470 13.1855 13.1855 13.3182 13.3182 14.7560 14.7560 k = 0.5000 0.1820 0.2784 ( 6836 PWs) bands (ev): -16.3988 -16.3988 -16.3982 -16.3982 -16.3493 -16.3493 -16.3486 -16.3486 -13.5599 -13.5599 -13.5570 -13.5570 -13.4365 -13.4365 -13.4345 -13.4345 -13.3607 -13.3607 -13.3593 -13.3593 -10.1192 -10.1192 -10.1191 -10.1191 -9.5941 -9.5941 -9.5939 -9.5939 -6.8433 -6.8433 -6.8431 -6.8431 -2.6742 -2.6742 -2.6741 -2.6741 0.0688 0.0688 0.0977 0.0977 0.3033 0.3033 0.3505 0.3505 0.6392 0.6392 0.6894 0.6894 0.8892 0.8892 0.9197 0.9197 1.0857 1.0857 1.0998 1.0998 2.8859 2.8859 2.9178 2.9178 3.2349 3.2349 3.2564 3.2564 3.7872 3.7872 3.8266 3.8266 4.4830 4.4830 4.6496 4.6496 5.1359 5.1359 5.1444 5.1444 5.5232 5.5232 5.5674 5.5674 5.8061 5.8061 5.8433 5.8433 5.9704 5.9704 6.0660 6.0660 6.5914 6.5914 6.6055 6.6055 10.3337 10.3337 10.4304 10.4304 11.4784 11.4784 11.8569 11.8569 12.7226 12.7226 12.7572 12.7572 13.1479 13.1479 13.2951 13.2951 14.7912 14.7912 k = 0.5000 0.1690 0.2784 ( 6824 PWs) bands (ev): -16.3988 -16.3988 -16.3982 -16.3982 -16.3493 -16.3493 -16.3486 -16.3486 -13.5600 -13.5600 -13.5571 -13.5571 -13.4364 -13.4364 -13.4344 -13.4344 -13.3607 -13.3607 -13.3592 -13.3592 -10.1195 -10.1195 -10.1193 -10.1193 -9.5944 -9.5944 -9.5942 -9.5942 -6.8429 -6.8429 -6.8427 -6.8427 -2.6732 -2.6732 -2.6731 -2.6731 0.0736 0.0736 0.1010 0.1010 0.3025 0.3025 0.3503 0.3503 0.6438 0.6438 0.6928 0.6928 0.8889 0.8889 0.9199 0.9199 1.0847 1.0847 1.0983 1.0983 2.8996 2.8996 2.9247 2.9247 3.2187 3.2187 3.2487 3.2487 3.7977 3.7977 3.8347 3.8347 4.4677 4.4677 4.6369 4.6369 5.1250 5.1250 5.1316 5.1316 5.5177 5.5177 5.5656 5.5656 5.8137 5.8137 5.8451 5.8451 5.9724 5.9724 6.0726 6.0726 6.5775 6.5775 6.5935 6.5935 10.3424 10.3424 10.4454 10.4454 11.4821 11.4821 11.8913 11.8913 12.7085 12.7085 12.7667 12.7667 13.1137 13.1137 13.2708 13.2708 14.8257 14.8257 k = 0.5000 0.1560 0.2784 ( 6828 PWs) bands (ev): -16.3988 -16.3988 -16.3982 -16.3982 -16.3493 -16.3493 -16.3486 -16.3486 -13.5601 -13.5601 -13.5572 -13.5572 -13.4363 -13.4363 -13.4343 -13.4343 -13.3606 -13.3606 -13.3592 -13.3592 -10.1198 -10.1198 -10.1196 -10.1196 -9.5948 -9.5948 -9.5946 -9.5946 -6.8426 -6.8426 -6.8424 -6.8424 -2.6723 -2.6723 -2.6722 -2.6722 0.0786 0.0786 0.1043 0.1043 0.3019 0.3019 0.3496 0.3496 0.6488 0.6488 0.6962 0.6962 0.8887 0.8887 0.9198 0.9198 1.0838 1.0838 1.0967 1.0967 2.9134 2.9134 2.9305 2.9305 3.2026 3.2026 3.2422 3.2422 3.8071 3.8071 3.8429 3.8429 4.4557 4.4557 4.6245 4.6245 5.1145 5.1145 5.1187 5.1187 5.5088 5.5088 5.5606 5.5606 5.8205 5.8205 5.8463 5.8463 5.9777 5.9777 6.0809 6.0809 6.5630 6.5630 6.5812 6.5812 10.3522 10.3522 10.4597 10.4597 11.4895 11.4895 11.9253 11.9253 12.6902 12.6902 12.7755 12.7755 13.0837 13.0837 13.2452 13.2452 14.8586 14.8586 k = 0.5000 0.1430 0.2784 ( 6826 PWs) bands (ev): -16.3988 -16.3988 -16.3982 -16.3982 -16.3493 -16.3493 -16.3486 -16.3486 -13.5601 -13.5601 -13.5573 -13.5573 -13.4362 -13.4362 -13.4343 -13.4343 -13.3606 -13.3606 -13.3592 -13.3592 -10.1201 -10.1201 -10.1199 -10.1199 -9.5951 -9.5951 -9.5949 -9.5949 -6.8423 -6.8423 -6.8421 -6.8421 -2.6714 -2.6714 -2.6714 -2.6714 0.0837 0.0837 0.1075 0.1075 0.3016 0.3016 0.3486 0.3486 0.6542 0.6542 0.6995 0.6995 0.8885 0.8885 0.9193 0.9193 1.0830 1.0830 1.0951 1.0951 2.9270 2.9270 2.9351 2.9351 3.1871 3.1871 3.2372 3.2372 3.8154 3.8154 3.8511 3.8511 4.4469 4.4469 4.6124 4.6124 5.1047 5.1047 5.1062 5.1062 5.4971 5.4971 5.5526 5.5526 5.8265 5.8265 5.8472 5.8472 5.9862 5.9862 6.0905 6.0905 6.5481 6.5481 6.5684 6.5684 10.3629 10.3629 10.4730 10.4730 11.5006 11.5006 11.9578 11.9578 12.6684 12.6684 12.7835 12.7835 13.0584 13.0584 13.2183 13.2183 14.8895 14.8895 k = 0.5000 0.1300 0.2784 ( 6828 PWs) bands (ev): -16.3988 -16.3988 -16.3982 -16.3982 -16.3493 -16.3493 -16.3486 -16.3486 -13.5601 -13.5601 -13.5574 -13.5574 -13.4360 -13.4360 -13.4342 -13.4342 -13.3605 -13.3605 -13.3592 -13.3592 -10.1204 -10.1204 -10.1202 -10.1202 -9.5954 -9.5954 -9.5952 -9.5952 -6.8419 -6.8419 -6.8417 -6.8417 -2.6706 -2.6706 -2.6706 -2.6706 0.0888 0.0888 0.1105 0.1105 0.3015 0.3015 0.3471 0.3471 0.6599 0.6599 0.7026 0.7026 0.8884 0.8884 0.9185 0.9185 1.0824 1.0824 1.0935 1.0935 2.9384 2.9384 2.9397 2.9397 3.1729 3.1729 3.2333 3.2333 3.8225 3.8225 3.8588 3.8588 4.4415 4.4415 4.6007 4.6007 5.0941 5.0941 5.0959 5.0959 5.4829 5.4829 5.5416 5.5416 5.8316 5.8316 5.8478 5.8478 5.9976 5.9976 6.1012 6.1012 6.5330 6.5330 6.5554 6.5554 10.3744 10.3744 10.4849 10.4849 11.5155 11.5155 11.9875 11.9875 12.6446 12.6446 12.7907 12.7907 13.0377 13.0377 13.1903 13.1903 14.9167 14.9167 k = 0.5000 0.1170 0.2784 ( 6830 PWs) bands (ev): -16.3988 -16.3988 -16.3983 -16.3983 -16.3492 -16.3492 -16.3486 -16.3486 -13.5601 -13.5601 -13.5576 -13.5576 -13.4359 -13.4359 -13.4342 -13.4342 -13.3604 -13.3604 -13.3592 -13.3592 -10.1206 -10.1206 -10.1205 -10.1205 -9.5957 -9.5957 -9.5955 -9.5955 -6.8416 -6.8416 -6.8414 -6.8414 -2.6698 -2.6698 -2.6698 -2.6698 0.0938 0.0938 0.1134 0.1134 0.3017 0.3017 0.3453 0.3453 0.6658 0.6658 0.7055 0.7055 0.8885 0.8885 0.9174 0.9174 1.0819 1.0819 1.0919 1.0919 2.9406 2.9406 2.9511 2.9511 3.1608 3.1608 3.2305 3.2305 3.8286 3.8286 3.8658 3.8658 4.4392 4.4392 4.5892 4.5892 5.0829 5.0829 5.0882 5.0882 5.4672 5.4672 5.5280 5.5280 5.8359 5.8359 5.8485 5.8485 6.0114 6.0114 6.1124 6.1124 6.5180 6.5180 6.5423 6.5423 10.3865 10.3865 10.4951 10.4951 11.5343 11.5343 12.0125 12.0125 12.6212 12.6212 12.7968 12.7968 13.0212 13.0212 13.1612 13.1612 14.9280 14.9280 k = 0.5000 0.1040 0.2784 ( 6828 PWs) bands (ev): -16.3988 -16.3988 -16.3983 -16.3983 -16.3492 -16.3492 -16.3486 -16.3486 -13.5601 -13.5601 -13.5577 -13.5577 -13.4357 -13.4357 -13.4342 -13.4342 -13.3604 -13.3604 -13.3592 -13.3592 -10.1209 -10.1209 -10.1208 -10.1208 -9.5960 -9.5960 -9.5958 -9.5958 -6.8413 -6.8413 -6.8411 -6.8411 -2.6691 -2.6691 -2.6691 -2.6691 0.0987 0.0987 0.1160 0.1160 0.3023 0.3023 0.3432 0.3432 0.6719 0.6719 0.7081 0.7081 0.8886 0.8886 0.9159 0.9159 1.0815 1.0815 1.0904 1.0904 2.9419 2.9419 2.9604 2.9604 3.1517 3.1517 3.2283 3.2283 3.8339 3.8339 3.8716 3.8716 4.4397 4.4397 4.5781 4.5781 5.0729 5.0729 5.0816 5.0816 5.4506 5.4506 5.5124 5.5124 5.8395 5.8395 5.8492 5.8492 6.0271 6.0271 6.1237 6.1237 6.5034 6.5034 6.5291 6.5291 10.3991 10.3991 10.5034 10.5034 11.5570 11.5570 12.0307 12.0307 12.6013 12.6013 12.8016 12.8016 13.0080 13.0080 13.1314 13.1314 14.9382 14.9382 k = 0.5000 0.0910 0.2784 ( 6824 PWs) bands (ev): -16.3988 -16.3988 -16.3983 -16.3983 -16.3492 -16.3492 -16.3487 -16.3487 -13.5601 -13.5601 -13.5579 -13.5579 -13.4356 -13.4356 -13.4342 -13.4342 -13.3603 -13.3603 -13.3592 -13.3592 -10.1211 -10.1211 -10.1210 -10.1210 -9.5962 -9.5962 -9.5961 -9.5961 -6.8410 -6.8410 -6.8409 -6.8409 -2.6685 -2.6685 -2.6685 -2.6685 0.1033 0.1033 0.1184 0.1184 0.3032 0.3032 0.3407 0.3407 0.6779 0.6779 0.7104 0.7104 0.8889 0.8889 0.9142 0.9142 1.0813 1.0813 1.0890 1.0890 2.9425 2.9425 2.9669 2.9669 3.1462 3.1462 3.2264 3.2264 3.8385 3.8385 3.8763 3.8763 4.4427 4.4427 4.5672 4.5672 5.0642 5.0642 5.0761 5.0761 5.4341 5.4341 5.4953 5.4953 5.8425 5.8425 5.8499 5.8499 6.0440 6.0440 6.1346 6.1346 6.4894 6.4894 6.5160 6.5160 10.4119 10.4119 10.5096 10.5096 11.5836 11.5836 12.0400 12.0400 12.5877 12.5877 12.8046 12.8046 12.9976 12.9976 13.1014 13.1014 14.9474 14.9474 k = 0.5000 0.0780 0.2784 ( 6824 PWs) bands (ev): -16.3988 -16.3988 -16.3983 -16.3983 -16.3491 -16.3491 -16.3487 -16.3487 -13.5600 -13.5600 -13.5581 -13.5581 -13.4355 -13.4355 -13.4342 -13.4342 -13.3602 -13.3602 -13.3592 -13.3592 -10.1213 -10.1213 -10.1212 -10.1212 -9.5964 -9.5964 -9.5963 -9.5963 -6.8408 -6.8408 -6.8406 -6.8406 -2.6680 -2.6680 -2.6679 -2.6679 0.1076 0.1076 0.1205 0.1205 0.3044 0.3044 0.3379 0.3379 0.6838 0.6838 0.7122 0.7122 0.8894 0.8894 0.9121 0.9121 1.0811 1.0811 1.0876 1.0876 2.9428 2.9428 2.9703 2.9703 3.1448 3.1448 3.2242 3.2242 3.8429 3.8429 3.8795 3.8795 4.4478 4.4478 4.5566 4.5566 5.0572 5.0572 5.0715 5.0715 5.4186 5.4186 5.4774 5.4774 5.8451 5.8451 5.8507 5.8507 6.0616 6.0616 6.1445 6.1445 6.4764 6.4764 6.5032 6.5032 10.4249 10.4249 10.5136 10.5136 11.6138 11.6138 12.0385 12.0385 12.5830 12.5830 12.8052 12.8052 12.9892 12.9892 13.0720 13.0720 14.9561 14.9561 k = 0.5000 0.0650 0.2784 ( 6830 PWs) bands (ev): -16.3987 -16.3987 -16.3984 -16.3984 -16.3491 -16.3491 -16.3487 -16.3487 -13.5599 -13.5599 -13.5583 -13.5583 -13.4353 -13.4353 -13.4342 -13.4342 -13.3601 -13.3601 -13.3593 -13.3593 -10.1215 -10.1215 -10.1214 -10.1214 -9.5966 -9.5966 -9.5965 -9.5965 -6.8405 -6.8405 -6.8404 -6.8404 -2.6675 -2.6675 -2.6674 -2.6674 0.1115 0.1115 0.1221 0.1221 0.3060 0.3060 0.3349 0.3349 0.6895 0.6895 0.7135 0.7135 0.8901 0.8901 0.9099 0.9099 1.0811 1.0811 1.0864 1.0864 2.9430 2.9430 2.9706 2.9706 3.1473 3.1473 3.2214 3.2214 3.8472 3.8472 3.8812 3.8812 4.4544 4.4544 4.5464 4.5464 5.0520 5.0520 5.0676 5.0676 5.4050 5.4050 5.4592 5.4592 5.8472 5.8472 5.8514 5.8514 6.0794 6.0794 6.1528 6.1528 6.4650 6.4650 6.4907 6.4907 10.4378 10.4378 10.5153 10.5153 11.6474 11.6474 12.0257 12.0257 12.5882 12.5882 12.8024 12.8024 12.9825 12.9825 13.0444 13.0444 14.9645 14.9645 k = 0.5000 0.0520 0.2784 ( 6830 PWs) bands (ev): -16.3987 -16.3987 -16.3984 -16.3984 -16.3491 -16.3491 -16.3487 -16.3487 -13.5598 -13.5598 -13.5585 -13.5585 -13.4352 -13.4352 -13.4343 -13.4343 -13.3600 -13.3600 -13.3593 -13.3593 -10.1217 -10.1217 -10.1216 -10.1216 -9.5967 -9.5967 -9.5967 -9.5967 -6.8403 -6.8403 -6.8403 -6.8403 -2.6671 -2.6671 -2.6670 -2.6670 0.1150 0.1150 0.1234 0.1234 0.3079 0.3079 0.3317 0.3317 0.6948 0.6948 0.7142 0.7142 0.8911 0.8911 0.9074 0.9074 1.0811 1.0811 1.0853 1.0853 2.9435 2.9435 2.9685 2.9685 3.1531 3.1531 3.2176 3.2176 3.8515 3.8515 3.8814 3.8814 4.4622 4.4622 4.5364 4.5364 5.0486 5.0486 5.0640 5.0640 5.3942 5.3942 5.4415 5.4415 5.8489 5.8489 5.8520 5.8520 6.0968 6.0968 6.1589 6.1589 6.4556 6.4556 6.4790 6.4790 10.4503 10.4503 10.5148 10.5148 11.6842 11.6842 12.0027 12.0027 12.6026 12.6026 12.7951 12.7951 12.9772 12.9772 13.0199 13.0199 14.9726 14.9726 k = 0.5000 0.0390 0.2784 ( 6826 PWs) bands (ev): -16.3987 -16.3987 -16.3985 -16.3985 -16.3490 -16.3490 -16.3488 -16.3488 -13.5597 -13.5597 -13.5587 -13.5587 -13.4350 -13.4350 -13.4343 -13.4343 -13.3599 -13.3599 -13.3594 -13.3594 -10.1218 -10.1218 -10.1217 -10.1217 -9.5969 -9.5969 -9.5968 -9.5968 -6.8402 -6.8402 -6.8401 -6.8401 -2.6668 -2.6668 -2.6667 -2.6667 0.1180 0.1180 0.1242 0.1242 0.3102 0.3102 0.3284 0.3284 0.6997 0.6997 0.7144 0.7144 0.8923 0.8923 0.9049 0.9049 1.0813 1.0813 1.0844 1.0844 2.9446 2.9446 2.9649 2.9649 3.1612 3.1612 3.2125 3.2125 3.8561 3.8561 3.8802 3.8802 4.4708 4.4708 4.5267 4.5267 5.0470 5.0470 5.0607 5.0607 5.3869 5.3869 5.4250 5.4250 5.8503 5.8503 5.8525 5.8525 6.1133 6.1133 6.1621 6.1621 6.4488 6.4488 6.4683 6.4683 10.4624 10.4624 10.5122 10.5122 11.7236 11.7236 11.9715 11.9715 12.6244 12.6244 12.7821 12.7821 12.9732 12.9732 13.0000 13.0000 14.9804 14.9804 k = 0.5000 0.0260 0.2784 ( 6830 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3488 -16.3488 -13.5595 -13.5595 -13.5588 -13.5588 -13.4349 -13.4349 -13.4344 -13.4344 -13.3598 -13.3598 -13.3595 -13.3595 -10.1219 -10.1219 -10.1218 -10.1218 -9.5969 -9.5969 -9.5969 -9.5969 -6.8401 -6.8401 -6.8400 -6.8400 -2.6666 -2.6666 -2.6665 -2.6665 0.1204 0.1204 0.1246 0.1246 0.3127 0.3127 0.3251 0.3251 0.7039 0.7039 0.7138 0.7138 0.8939 0.8939 0.9024 0.9024 1.0815 1.0815 1.0836 1.0836 2.9463 2.9463 2.9605 2.9605 3.1706 3.1706 3.2062 3.2062 3.8608 3.8608 3.8778 3.8778 4.4798 4.4798 4.5171 4.5171 5.0471 5.0471 5.0573 5.0573 5.3836 5.3836 5.4104 5.4104 5.8514 5.8514 5.8528 5.8528 6.1283 6.1283 6.1621 6.1621 6.4449 6.4449 6.4590 6.4590 10.4737 10.4737 10.5076 10.5076 11.7650 11.7650 11.9345 11.9345 12.6512 12.6512 12.7631 12.7631 12.9707 12.9707 12.9855 12.9855 14.9879 14.9879 k = 0.5000 0.0130 0.2784 ( 6818 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3489 -16.3489 -16.3488 -16.3488 -13.5594 -13.5594 -13.5590 -13.5590 -13.4347 -13.4347 -13.4345 -13.4345 -13.3597 -13.3597 -13.3596 -13.3596 -10.1219 -10.1219 -10.1219 -10.1219 -9.5970 -9.5970 -9.5970 -9.5970 -6.8400 -6.8400 -6.8400 -6.8400 -2.6664 -2.6664 -2.6664 -2.6664 0.1223 0.1223 0.1244 0.1244 0.3156 0.3156 0.3219 0.3219 0.7075 0.7075 0.7124 0.7124 0.8957 0.8957 0.9000 0.9000 1.0819 1.0819 1.0829 1.0829 2.9488 2.9488 2.9562 2.9562 3.1803 3.1803 3.1985 3.1985 3.8656 3.8656 3.8743 3.8743 4.4890 4.4890 4.5077 4.5077 5.0485 5.0485 5.0540 5.0540 5.3845 5.3845 5.3983 5.3983 5.8522 5.8522 5.8528 5.8528 6.1411 6.1411 6.1585 6.1585 6.4441 6.4441 6.4515 6.4515 10.4841 10.4841 10.5013 10.5013 11.8078 11.8078 11.8938 11.8938 12.6807 12.6807 12.7387 12.7387 12.9698 12.9698 12.9762 12.9762 14.9949 14.9949 k = 0.5000-0.0000 0.2784 ( 6820 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5592 -13.5592 -13.4346 -13.4346 -13.4346 -13.4346 -13.3596 -13.3596 -13.3596 -13.3596 -10.1219 -10.1219 -10.1219 -10.1219 -9.5970 -9.5970 -9.5970 -9.5970 -6.8400 -6.8400 -6.8400 -6.8400 -2.6664 -2.6664 -2.6664 -2.6664 0.1236 0.1236 0.1236 0.1236 0.3187 0.3187 0.3187 0.3187 0.7103 0.7103 0.7103 0.7103 0.8978 0.8978 0.8978 0.8978 1.0823 1.0823 1.0823 1.0823 2.9522 2.9522 2.9522 2.9522 3.1898 3.1898 3.1898 3.1898 3.8702 3.8702 3.8702 3.8702 4.4983 4.4983 4.4983 4.4983 5.0510 5.0510 5.0510 5.0510 5.3895 5.3895 5.3895 5.3895 5.8526 5.8526 5.8526 5.8526 6.1514 6.1514 6.1514 6.1514 6.4464 6.4464 6.4464 6.4464 10.4934 10.4934 10.4934 10.4934 11.8511 11.8511 11.8511 11.8511 12.7106 12.7106 12.7106 12.7106 12.9714 12.9714 12.9714 12.9714 15.0010 15.0010 k = 0.5000-0.0000 0.2784 ( 6820 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5592 -13.5592 -13.4346 -13.4346 -13.4346 -13.4346 -13.3596 -13.3596 -13.3596 -13.3596 -10.1219 -10.1219 -10.1219 -10.1219 -9.5970 -9.5970 -9.5970 -9.5970 -6.8400 -6.8400 -6.8400 -6.8400 -2.6664 -2.6664 -2.6664 -2.6664 0.1236 0.1236 0.1236 0.1236 0.3187 0.3187 0.3187 0.3187 0.7103 0.7103 0.7103 0.7103 0.8978 0.8978 0.8978 0.8978 1.0823 1.0823 1.0823 1.0823 2.9522 2.9522 2.9522 2.9522 3.1898 3.1898 3.1898 3.1898 3.8702 3.8702 3.8702 3.8702 4.4983 4.4983 4.4983 4.4983 5.0510 5.0510 5.0510 5.0510 5.3895 5.3895 5.3895 5.3895 5.8526 5.8526 5.8526 5.8526 6.1514 6.1514 6.1514 6.1514 6.4464 6.4464 6.4464 6.4464 10.4934 10.4934 10.4934 10.4934 11.8511 11.8511 11.8511 11.8511 12.7106 12.7106 12.7106 12.7106 12.9714 12.9714 12.9714 12.9714 15.0010 15.0010 k = 0.5000-0.0000 0.2657 ( 6818 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5592 -13.5592 -13.4346 -13.4346 -13.4346 -13.4346 -13.3596 -13.3596 -13.3596 -13.3596 -10.1220 -10.1220 -10.1220 -10.1220 -9.5969 -9.5969 -9.5969 -9.5969 -6.8400 -6.8400 -6.8400 -6.8400 -2.6664 -2.6664 -2.6663 -2.6663 0.1215 0.1215 0.1255 0.1255 0.3179 0.3179 0.3193 0.3193 0.7067 0.7067 0.7138 0.7138 0.8976 0.8976 0.8977 0.8977 1.0819 1.0819 1.0829 1.0829 2.9526 2.9526 2.9531 2.9531 3.1824 3.1824 3.1968 3.1968 3.8628 3.8628 3.8815 3.8815 4.4958 4.4958 4.4990 4.4990 5.0437 5.0437 5.0558 5.0558 5.3830 5.3830 5.3976 5.3976 5.8456 5.8456 5.8538 5.8538 6.1515 6.1515 6.1529 6.1529 6.4460 6.4460 6.4491 6.4491 10.4902 10.4902 10.4974 10.4974 11.8427 11.8427 11.8607 11.8607 12.7010 12.7010 12.7154 12.7154 12.9616 12.9616 12.9855 12.9855 15.0008 15.0008 k = 0.5000-0.0000 0.2531 ( 6820 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5592 -13.5592 -13.4346 -13.4346 -13.4346 -13.4346 -13.3596 -13.3596 -13.3596 -13.3596 -10.1223 -10.1223 -10.1222 -10.1222 -9.5966 -9.5966 -9.5965 -9.5965 -6.8400 -6.8400 -6.8400 -6.8400 -2.6666 -2.6666 -2.6663 -2.6663 0.1191 0.1191 0.1271 0.1271 0.3171 0.3171 0.3199 0.3199 0.7030 0.7030 0.7171 0.7171 0.8972 0.8972 0.8974 0.8974 1.0816 1.0816 1.0834 1.0834 2.9543 2.9543 2.9551 2.9551 3.1747 3.1747 3.2033 3.2033 3.8595 3.8595 3.8965 3.8965 4.4912 4.4912 4.4978 4.4978 5.0349 5.0349 5.0578 5.0578 5.3782 5.3782 5.4065 5.4065 5.8334 5.8334 5.8491 5.8491 6.1533 6.1533 6.1558 6.1558 6.4477 6.4477 6.4538 6.4538 10.4879 10.4879 10.5021 10.5021 11.8357 11.8357 11.8717 11.8717 12.6883 12.6883 12.7139 12.7139 12.9576 12.9576 13.0022 13.0022 15.0015 15.0015 k = 0.5000-0.0000 0.2404 ( 6812 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5591 -13.5591 -13.4347 -13.4347 -13.4346 -13.4346 -13.3596 -13.3596 -13.3596 -13.3596 -10.1228 -10.1228 -10.1226 -10.1226 -9.5960 -9.5960 -9.5960 -9.5960 -6.8400 -6.8400 -6.8400 -6.8400 -2.6668 -2.6668 -2.6664 -2.6664 0.1165 0.1165 0.1284 0.1284 0.3162 0.3162 0.3204 0.3204 0.6993 0.6993 0.7200 0.7200 0.8967 0.8967 0.8970 0.8970 1.0813 1.0813 1.0841 1.0841 2.9574 2.9574 2.9583 2.9583 3.1671 3.1671 3.2094 3.2094 3.8603 3.8603 3.9148 3.9148 4.4845 4.4845 4.4946 4.4946 5.0256 5.0256 5.0572 5.0572 5.3748 5.3748 5.4152 5.4152 5.8170 5.8170 5.8391 5.8391 6.1566 6.1566 6.1593 6.1593 6.4516 6.4516 6.4604 6.4604 10.4865 10.4865 10.5074 10.5074 11.8300 11.8300 11.8838 11.8838 12.6738 12.6738 12.7053 12.7053 12.9604 12.9604 13.0205 13.0205 15.0027 15.0027 k = 0.5000-0.0000 0.2278 ( 6820 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5591 -13.5591 -13.4347 -13.4347 -13.4347 -13.4347 -13.3596 -13.3596 -13.3596 -13.3596 -10.1234 -10.1234 -10.1232 -10.1232 -9.5952 -9.5952 -9.5952 -9.5952 -6.8401 -6.8401 -6.8401 -6.8401 -2.6670 -2.6670 -2.6665 -2.6665 0.1138 0.1138 0.1292 0.1292 0.3153 0.3153 0.3206 0.3206 0.6956 0.6956 0.7225 0.7225 0.8958 0.8958 0.8963 0.8963 1.0812 1.0812 1.0847 1.0847 2.9616 2.9616 2.9623 2.9623 3.1598 3.1598 3.2150 3.2150 3.8654 3.8654 3.9364 3.9364 4.4752 4.4752 4.4893 4.4893 5.0168 5.0168 5.0545 5.0545 5.3720 5.3720 5.4226 5.4226 5.7978 5.7978 5.8250 5.8250 6.1606 6.1606 6.1629 6.1629 6.4575 6.4575 6.4687 6.4687 10.4860 10.4860 10.5134 10.5134 11.8256 11.8256 11.8970 11.8970 12.6582 12.6582 12.6899 12.6899 12.9696 12.9696 13.0395 13.0395 15.0041 15.0041 k = 0.5000-0.0000 0.2151 ( 6830 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5591 -13.5591 -13.4347 -13.4347 -13.4347 -13.4347 -13.3596 -13.3596 -13.3596 -13.3596 -10.1242 -10.1242 -10.1239 -10.1239 -9.5943 -9.5943 -9.5942 -9.5942 -6.8401 -6.8401 -6.8401 -6.8401 -2.6672 -2.6672 -2.6666 -2.6666 0.1109 0.1109 0.1297 0.1297 0.3144 0.3144 0.3207 0.3207 0.6920 0.6920 0.7247 0.7247 0.8948 0.8948 0.8955 0.8955 1.0811 1.0811 1.0853 1.0853 2.9668 2.9668 2.9668 2.9668 3.1532 3.1532 3.2203 3.2203 3.8745 3.8745 3.9607 3.9607 4.4633 4.4633 4.4817 4.4817 5.0096 5.0096 5.0507 5.0507 5.3683 5.3683 5.4274 5.4274 5.7772 5.7772 5.8079 5.8079 6.1650 6.1650 6.1663 6.1663 6.4652 6.4652 6.4785 6.4785 10.4865 10.4865 10.5198 10.5198 11.8225 11.8225 11.9111 11.9111 12.6423 12.6423 12.6690 12.6690 12.9842 12.9842 13.0587 13.0587 15.0051 15.0051 k = 0.5000-0.0000 0.2025 ( 6832 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5590 -13.5590 -13.4347 -13.4347 -13.4347 -13.4347 -13.3596 -13.3596 -13.3596 -13.3596 -10.1251 -10.1251 -10.1248 -10.1248 -9.5931 -9.5931 -9.5931 -9.5931 -6.8402 -6.8402 -6.8402 -6.8402 -2.6675 -2.6675 -2.6668 -2.6668 0.1081 0.1081 0.1298 0.1298 0.3136 0.3136 0.3207 0.3207 0.6887 0.6887 0.7264 0.7264 0.8937 0.8937 0.8946 0.8946 1.0812 1.0812 1.0860 1.0860 2.9717 2.9717 2.9726 2.9726 3.1478 3.1478 3.2258 3.2258 3.8876 3.8876 3.9875 3.9875 4.4487 4.4487 4.4715 4.4715 5.0048 5.0048 5.0469 5.0469 5.3626 5.3626 5.4287 5.4287 5.7562 5.7562 5.7890 5.7890 6.1693 6.1693 6.1694 6.1694 6.4744 6.4744 6.4893 6.4893 10.4879 10.4879 10.5266 10.5266 11.8207 11.8207 11.9259 11.9259 12.6264 12.6264 12.6441 12.6441 13.0027 13.0027 13.0778 13.0778 15.0053 15.0053 k = 0.5000-0.0000 0.1898 ( 6818 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5590 -13.5590 -13.4347 -13.4347 -13.4347 -13.4347 -13.3596 -13.3596 -13.3596 -13.3596 -10.1261 -10.1261 -10.1257 -10.1257 -9.5919 -9.5919 -9.5918 -9.5918 -6.8402 -6.8402 -6.8402 -6.8402 -2.6678 -2.6678 -2.6671 -2.6671 0.1053 0.1053 0.1295 0.1295 0.3128 0.3128 0.3205 0.3205 0.6858 0.6858 0.7276 0.7276 0.8925 0.8925 0.8937 0.8937 1.0814 1.0814 1.0867 1.0867 2.9764 2.9764 2.9787 2.9787 3.1442 3.1442 3.2316 3.2316 3.9043 3.9043 4.0166 4.0166 4.4314 4.4314 4.4585 4.4585 5.0027 5.0027 5.0440 5.0440 5.3535 5.3535 5.4255 5.4255 5.7361 5.7361 5.7696 5.7696 6.1718 6.1718 6.1736 6.1736 6.4848 6.4848 6.5007 6.5007 10.4902 10.4902 10.5336 10.5336 11.8201 11.8201 11.9413 11.9413 12.6107 12.6107 12.6164 12.6164 13.0241 13.0241 13.0967 13.0967 15.0040 15.0040 k = 0.5000-0.0000 0.1772 ( 6816 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5590 -13.5590 -13.4348 -13.4348 -13.4348 -13.4348 -13.3596 -13.3596 -13.3596 -13.3596 -10.1272 -10.1272 -10.1268 -10.1268 -9.5905 -9.5905 -9.5904 -9.5904 -6.8403 -6.8403 -6.8403 -6.8403 -2.6681 -2.6681 -2.6673 -2.6673 0.1026 0.1026 0.1288 0.1288 0.3120 0.3120 0.3202 0.3202 0.6832 0.6832 0.7283 0.7283 0.8911 0.8911 0.8926 0.8926 1.0816 1.0816 1.0872 1.0872 2.9809 2.9809 2.9845 2.9845 3.1427 3.1427 3.2381 3.2381 3.9244 3.9244 4.0476 4.0476 4.4117 4.4117 4.4427 4.4427 5.0037 5.0037 5.0426 5.0426 5.3404 5.3404 5.4174 5.4174 5.7172 5.7172 5.7503 5.7503 6.1740 6.1740 6.1777 6.1777 6.4959 6.4959 6.5125 6.5125 10.4935 10.4935 10.5408 10.5408 11.8208 11.8208 11.9570 11.9570 12.5870 12.5870 12.5954 12.5954 13.0473 13.0473 13.1153 13.1153 15.0007 15.0007 k = 0.5000-0.0000 0.1645 ( 6822 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5590 -13.5590 -13.4348 -13.4348 -13.4348 -13.4348 -13.3596 -13.3596 -13.3596 -13.3596 -10.1283 -10.1283 -10.1279 -10.1279 -9.5890 -9.5890 -9.5889 -9.5889 -6.8404 -6.8404 -6.8404 -6.8404 -2.6685 -2.6685 -2.6676 -2.6676 0.1000 0.1000 0.1277 0.1277 0.3113 0.3113 0.3196 0.3196 0.6809 0.6809 0.7284 0.7284 0.8897 0.8897 0.8915 0.8915 1.0820 1.0820 1.0878 1.0878 2.9847 2.9847 2.9894 2.9894 3.1442 3.1442 3.2455 3.2455 3.9473 3.9473 4.0802 4.0802 4.3901 4.3901 4.4242 4.4242 5.0074 5.0074 5.0428 5.0428 5.3233 5.3233 5.4043 5.4043 5.6999 5.6999 5.7314 5.7314 6.1762 6.1762 6.1817 6.1817 6.5074 6.5074 6.5244 6.5244 10.4976 10.4976 10.5480 10.5480 11.8227 11.8227 11.9726 11.9726 12.5570 12.5570 12.5805 12.5805 13.0717 13.0717 13.1337 13.1337 14.9952 14.9952 k = 0.5000-0.0000 0.1519 ( 6830 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5593 -13.5593 -13.5589 -13.5589 -13.4349 -13.4349 -13.4348 -13.4348 -13.3596 -13.3596 -13.3596 -13.3596 -10.1295 -10.1295 -10.1291 -10.1291 -9.5874 -9.5874 -9.5874 -9.5874 -6.8405 -6.8405 -6.8405 -6.8405 -2.6688 -2.6688 -2.6679 -2.6679 0.0976 0.0976 0.1262 0.1262 0.3106 0.3106 0.3190 0.3190 0.6792 0.6792 0.7280 0.7280 0.8883 0.8883 0.8903 0.8903 1.0824 1.0824 1.0883 1.0883 2.9877 2.9877 2.9930 2.9930 3.1489 3.1489 3.2540 3.2540 3.9726 3.9726 4.1140 4.1140 4.3675 4.3675 4.4033 4.4033 5.0135 5.0135 5.0441 5.0441 5.3030 5.3030 5.3869 5.3869 5.6838 5.6838 5.7130 5.7130 6.1786 6.1786 6.1858 6.1858 6.5189 6.5189 6.5359 6.5359 10.5026 10.5026 10.5551 10.5551 11.8258 11.8258 11.9877 11.9877 12.5271 12.5271 12.5660 12.5660 13.0968 13.0968 13.1518 13.1518 14.9871 14.9871 k = 0.5000-0.0000 0.1392 ( 6822 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5589 -13.5589 -13.4349 -13.4349 -13.4349 -13.4349 -13.3596 -13.3596 -13.3596 -13.3596 -10.1307 -10.1307 -10.1303 -10.1303 -9.5859 -9.5859 -9.5858 -9.5858 -6.8406 -6.8406 -6.8405 -6.8405 -2.6692 -2.6692 -2.6683 -2.6683 0.0954 0.0954 0.1244 0.1244 0.3100 0.3100 0.3182 0.3182 0.6779 0.6779 0.7271 0.7271 0.8870 0.8870 0.8892 0.8892 1.0829 1.0829 1.0888 1.0888 2.9899 2.9899 2.9951 2.9951 3.1569 3.1569 3.2636 3.2636 3.9994 3.9994 4.1484 4.1484 4.3447 4.3447 4.3807 4.3807 5.0209 5.0209 5.0456 5.0456 5.2814 5.2814 5.3663 5.3663 5.6683 5.6683 5.6946 5.6946 6.1814 6.1814 6.1901 6.1901 6.5303 6.5303 6.5470 6.5470 10.5082 10.5082 10.5618 10.5618 11.8302 11.8302 12.0020 12.0020 12.4981 12.4981 12.5520 12.5520 13.1220 13.1220 13.1696 13.1696 14.9766 14.9766 k = 0.5000-0.0000 0.1265 ( 6836 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5589 -13.5589 -13.4349 -13.4349 -13.4349 -13.4349 -13.3596 -13.3596 -13.3596 -13.3596 -10.1319 -10.1319 -10.1315 -10.1315 -9.5843 -9.5843 -9.5842 -9.5842 -6.8407 -6.8407 -6.8406 -6.8406 -2.6695 -2.6695 -2.6686 -2.6686 0.0935 0.0935 0.1222 0.1222 0.3095 0.3095 0.3173 0.3173 0.6771 0.6771 0.7257 0.7257 0.8857 0.8857 0.8881 0.8881 1.0834 1.0834 1.0891 1.0891 2.9911 2.9911 2.9957 2.9957 3.1682 3.1682 3.2742 3.2742 4.0268 4.0268 4.1824 4.1824 4.3233 4.3233 4.3575 4.3575 5.0285 5.0285 5.0450 5.0450 5.2613 5.2613 5.3443 5.3443 5.6527 5.6527 5.6759 5.6759 6.1846 6.1846 6.1946 6.1946 6.5413 6.5413 6.5573 6.5573 10.5145 10.5145 10.5682 10.5682 11.8358 11.8358 12.0146 12.0146 12.4708 12.4708 12.5383 12.5383 13.1469 13.1469 13.1870 13.1870 14.9638 14.9638 k = 0.5000-0.0000 0.1139 ( 6838 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5589 -13.5589 -13.4350 -13.4350 -13.4350 -13.4350 -13.3596 -13.3596 -13.3596 -13.3596 -10.1331 -10.1331 -10.1326 -10.1326 -9.5828 -9.5828 -9.5827 -9.5827 -6.8407 -6.8407 -6.8407 -6.8407 -2.6698 -2.6698 -2.6689 -2.6689 0.0919 0.0919 0.1198 0.1198 0.3091 0.3091 0.3164 0.3164 0.6769 0.6769 0.7238 0.7238 0.8845 0.8845 0.8870 0.8870 1.0839 1.0839 1.0894 1.0894 2.9914 2.9914 2.9951 2.9951 3.1821 3.1821 3.2853 3.2853 4.0533 4.0533 4.2139 4.2139 4.3050 4.3050 4.3359 4.3359 5.0343 5.0343 5.0396 5.0396 5.2464 5.2464 5.3234 5.3234 5.6364 5.6364 5.6563 5.6563 6.1884 6.1884 6.1992 6.1992 6.5516 6.5516 6.5668 6.5668 10.5214 10.5214 10.5739 10.5739 11.8428 11.8428 12.0252 12.0252 12.4460 12.4460 12.5248 12.5248 13.1710 13.1710 13.2039 13.2039 14.9493 14.9493 k = 0.5000-0.0000 0.1012 ( 6836 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3489 -16.3489 -13.5592 -13.5592 -13.5589 -13.5589 -13.4350 -13.4350 -13.4350 -13.4350 -13.3596 -13.3596 -13.3596 -13.3596 -10.1342 -10.1342 -10.1338 -10.1338 -9.5813 -9.5813 -9.5813 -9.5813 -6.8408 -6.8408 -6.8408 -6.8408 -2.6701 -2.6701 -2.6693 -2.6693 0.0907 0.0907 0.1172 0.1172 0.3087 0.3087 0.3155 0.3155 0.6772 0.6772 0.7215 0.7215 0.8835 0.8835 0.8860 0.8860 1.0845 1.0845 1.0896 1.0896 2.9911 2.9911 2.9938 2.9938 3.1982 3.1982 3.2966 3.2966 4.0767 4.0767 4.2365 4.2365 4.2925 4.2925 4.3226 4.3226 5.0266 5.0266 5.0360 5.0360 5.2399 5.2399 5.3064 5.3064 5.6189 5.6189 5.6355 5.6355 6.1927 6.1927 6.2040 6.2040 6.5612 6.5612 6.5753 6.5753 10.5286 10.5286 10.5789 10.5789 11.8511 11.8511 12.0328 12.0328 12.4246 12.4246 12.5116 12.5116 13.1941 13.1941 13.2203 13.2203 14.9336 14.9336 k = 0.5000-0.0000 0.0886 ( 6852 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3489 -16.3489 -13.5592 -13.5592 -13.5589 -13.5589 -13.4350 -13.4350 -13.4350 -13.4350 -13.3596 -13.3596 -13.3596 -13.3596 -10.1352 -10.1352 -10.1348 -10.1348 -9.5800 -9.5800 -9.5799 -9.5799 -6.8409 -6.8409 -6.8409 -6.8409 -2.6704 -2.6704 -2.6696 -2.6696 0.0898 0.0898 0.1143 0.1143 0.3084 0.3084 0.3145 0.3145 0.6779 0.6779 0.7187 0.7187 0.8826 0.8826 0.8850 0.8850 1.0851 1.0851 1.0897 1.0897 2.9902 2.9902 2.9919 2.9919 3.2157 3.2157 3.3076 3.3076 4.0941 4.0941 4.2378 4.2378 4.2890 4.2890 4.3298 4.3298 5.0059 5.0059 5.0312 5.0312 5.2430 5.2430 5.2962 5.2962 5.5998 5.5998 5.6133 5.6133 6.1974 6.1974 6.2086 6.2086 6.5699 6.5699 6.5828 6.5828 10.5360 10.5360 10.5830 10.5830 11.8608 11.8608 12.0367 12.0367 12.4075 12.4075 12.4985 12.4985 13.2156 13.2156 13.2358 13.2358 14.9175 14.9175 k = 0.5000-0.0000 0.0759 ( 6848 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3489 -16.3489 -13.5591 -13.5591 -13.5589 -13.5589 -13.4351 -13.4351 -13.4350 -13.4350 -13.3596 -13.3596 -13.3596 -13.3596 -10.1361 -10.1361 -10.1358 -10.1358 -9.5787 -9.5787 -9.5787 -9.5787 -6.8410 -6.8410 -6.8409 -6.8409 -2.6706 -2.6706 -2.6699 -2.6699 0.0894 0.0894 0.1114 0.1114 0.3083 0.3083 0.3135 0.3135 0.6792 0.6792 0.7157 0.7157 0.8819 0.8819 0.8841 0.8841 1.0857 1.0857 1.0898 1.0898 2.9890 2.9890 2.9899 2.9899 3.2340 3.2340 3.3176 3.3176 4.1034 4.1034 4.2215 4.2215 4.2966 4.2966 4.3538 4.3538 4.9796 4.9796 5.0187 5.0187 5.2544 5.2544 5.2945 5.2945 5.5793 5.5793 5.5897 5.5897 6.2023 6.2023 6.2129 6.2129 6.5777 6.5777 6.5891 6.5891 10.5436 10.5436 10.5862 10.5862 11.8719 11.8719 12.0365 12.0365 12.3951 12.3951 12.4855 12.4855 13.2353 13.2353 13.2503 13.2503 14.9019 14.9019 k = 0.5000-0.0000 0.0633 ( 6844 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3489 -16.3489 -13.5591 -13.5591 -13.5589 -13.5589 -13.4351 -13.4351 -13.4351 -13.4351 -13.3596 -13.3596 -13.3596 -13.3596 -10.1369 -10.1369 -10.1366 -10.1366 -9.5776 -9.5776 -9.5776 -9.5776 -6.8410 -6.8410 -6.8410 -6.8410 -2.6708 -2.6708 -2.6702 -2.6702 0.0894 0.0894 0.1085 0.1085 0.3082 0.3082 0.3127 0.3127 0.6809 0.6809 0.7125 0.7125 0.8813 0.8813 0.8833 0.8833 1.0862 1.0862 1.0898 1.0898 2.9877 2.9877 2.9879 2.9879 3.2525 3.2525 3.3260 3.3260 4.1056 4.1056 4.1996 4.1996 4.3146 4.3146 4.3819 4.3819 4.9511 4.9511 4.9990 4.9990 5.2718 5.2718 5.3011 5.3011 5.5573 5.5573 5.5650 5.5650 6.2071 6.2071 6.2168 6.2168 6.5845 6.5845 6.5943 6.5943 10.5510 10.5510 10.5882 10.5882 11.8844 11.8844 12.0320 12.0320 12.3879 12.3879 12.4726 12.4726 13.2527 13.2527 13.2633 13.2633 14.8874 14.8874 k = 0.5000-0.0000 0.0506 ( 6844 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3489 -16.3489 -13.5591 -13.5591 -13.5589 -13.5589 -13.4351 -13.4351 -13.4351 -13.4351 -13.3596 -13.3596 -13.3596 -13.3596 -10.1376 -10.1376 -10.1373 -10.1373 -9.5767 -9.5767 -9.5767 -9.5767 -6.8411 -6.8411 -6.8411 -6.8411 -2.6709 -2.6709 -2.6705 -2.6705 0.0898 0.0898 0.1055 0.1055 0.3082 0.3082 0.3118 0.3118 0.6831 0.6831 0.7090 0.7090 0.8809 0.8809 0.8826 0.8826 1.0868 1.0868 1.0897 1.0897 2.9861 2.9861 2.9863 2.9863 3.2705 3.2705 3.3321 3.3321 4.1040 4.1040 4.1773 4.1773 4.3395 4.3395 4.4080 4.4080 4.9237 4.9237 4.9744 4.9744 5.2930 5.2930 5.3143 5.3143 5.5343 5.5343 5.5394 5.5394 6.2117 6.2117 6.2200 6.2200 6.5903 6.5903 6.5983 6.5983 10.5582 10.5582 10.5892 10.5892 11.8982 11.8982 12.0233 12.0233 12.3856 12.3856 12.4597 12.4597 13.2674 13.2674 13.2747 13.2747 14.8750 14.8750 k = 0.5000-0.0000 0.0380 ( 6840 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3489 -16.3489 -13.5590 -13.5590 -13.5589 -13.5589 -13.4351 -13.4351 -13.4351 -13.4351 -13.3596 -13.3596 -13.3596 -13.3596 -10.1381 -10.1381 -10.1379 -10.1379 -9.5760 -9.5760 -9.5759 -9.5759 -6.8411 -6.8411 -6.8411 -6.8411 -2.6710 -2.6710 -2.6707 -2.6707 0.0906 0.0906 0.1027 0.1027 0.3083 0.3083 0.3110 0.3110 0.6856 0.6856 0.7055 0.7055 0.8807 0.8807 0.8820 0.8820 1.0874 1.0874 1.0896 1.0896 2.9847 2.9847 2.9850 2.9850 3.2875 3.2875 3.3355 3.3355 4.1020 4.1020 4.1565 4.1565 4.3675 4.3675 4.4289 4.4289 4.9008 4.9008 4.9478 4.9478 5.3164 5.3164 5.3317 5.3317 5.5109 5.5109 5.5137 5.5137 6.2159 6.2159 6.2224 6.2224 6.5951 6.5951 6.6012 6.6012 10.5650 10.5650 10.5889 10.5889 11.9133 11.9133 12.0113 12.0113 12.3876 12.3876 12.4469 12.4469 13.2793 13.2793 13.2839 13.2839 14.8654 14.8654 k = 0.5000-0.0000 0.0253 ( 6838 PWs) bands (ev): -16.3986 -16.3986 -16.3985 -16.3985 -16.3490 -16.3490 -16.3490 -16.3490 -13.5590 -13.5590 -13.5589 -13.5589 -13.4351 -13.4351 -13.4351 -13.4351 -13.3596 -13.3596 -13.3596 -13.3596 -10.1385 -10.1385 -10.1384 -10.1384 -9.5754 -9.5754 -9.5754 -9.5754 -6.8411 -6.8411 -6.8411 -6.8411 -2.6711 -2.6711 -2.6708 -2.6708 0.0918 0.0918 0.1000 0.1000 0.3085 0.3085 0.3104 0.3104 0.6884 0.6884 0.7019 0.7019 0.8806 0.8806 0.8815 0.8815 1.0879 1.0879 1.0893 1.0893 2.9837 2.9837 2.9840 2.9840 3.3026 3.3026 3.3356 3.3356 4.1019 4.1019 4.1383 4.1383 4.3951 4.3951 4.4417 4.4417 4.8855 4.8855 4.9221 4.9221 5.3400 5.3400 5.3504 5.3504 5.4884 5.4884 5.4892 5.4892 6.2193 6.2193 6.2238 6.2238 6.5989 6.5989 6.6030 6.6030 10.5712 10.5712 10.5875 10.5875 11.9293 11.9293 11.9967 11.9967 12.3931 12.3931 12.4344 12.4344 13.2880 13.2880 13.2907 13.2907 14.8589 14.8589 k = 0.5000-0.0000 0.0127 ( 6834 PWs) bands (ev): -16.3985 -16.3985 -16.3985 -16.3985 -16.3490 -16.3490 -16.3490 -16.3490 -13.5590 -13.5590 -13.5589 -13.5589 -13.4351 -13.4351 -13.4351 -13.4351 -13.3596 -13.3596 -13.3596 -13.3596 -10.1387 -10.1387 -10.1386 -10.1386 -9.5751 -9.5751 -9.5751 -9.5751 -6.8412 -6.8412 -6.8412 -6.8412 -2.6711 -2.6711 -2.6710 -2.6710 0.0934 0.0934 0.0975 0.0975 0.3089 0.3089 0.3098 0.3098 0.6916 0.6916 0.6983 0.6983 0.8806 0.8806 0.8811 0.8811 1.0883 1.0883 1.0891 1.0891 2.9831 2.9831 2.9833 2.9833 3.3155 3.3155 3.3323 3.3323 4.1051 4.1051 4.1233 4.1233 4.4190 4.4190 4.4444 4.4444 4.8801 4.8801 4.9004 4.9004 5.3605 5.3605 5.3663 5.3663 5.4692 5.4692 5.4695 5.4695 6.2219 6.2219 6.2242 6.2242 6.6015 6.6015 6.6036 6.6036 10.5767 10.5767 10.5850 10.5850 11.9462 11.9462 11.9804 11.9804 12.4012 12.4012 12.4224 12.4224 13.2935 13.2935 13.2947 13.2947 14.8562 14.8562 k = 0.5000-0.0000-0.0000 ( 6830 PWs) bands (ev): -16.3985 -16.3985 -16.3985 -16.3985 -16.3490 -16.3490 -16.3490 -16.3490 -13.5590 -13.5590 -13.5590 -13.5590 -13.4351 -13.4351 -13.4351 -13.4351 -13.3596 -13.3596 -13.3596 -13.3596 -10.1387 -10.1387 -10.1387 -10.1387 -9.5750 -9.5750 -9.5750 -9.5750 -6.8412 -6.8412 -6.8412 -6.8412 -2.6711 -2.6711 -2.6711 -2.6711 0.0953 0.0953 0.0953 0.0953 0.3093 0.3093 0.3093 0.3093 0.6949 0.6949 0.6949 0.6949 0.8808 0.8808 0.8808 0.8808 1.0887 1.0887 1.0887 1.0887 2.9830 2.9830 2.9830 2.9830 3.3255 3.3255 3.3255 3.3255 4.1122 4.1122 4.1122 4.1122 4.4364 4.4364 4.4364 4.4364 4.8855 4.8855 4.8855 4.8855 5.3715 5.3715 5.3715 5.3715 5.4610 5.4610 5.4610 5.4610 6.2236 6.2236 6.2236 6.2236 6.6031 6.6031 6.6031 6.6031 10.5813 10.5813 10.5813 10.5813 11.9634 11.9634 11.9634 11.9634 12.4111 12.4111 12.4111 12.4111 13.2957 13.2957 13.2957 13.2957 14.8573 14.8573 k = 0.0000 0.0000 0.2784 ( 6880 PWs) bands (ev): -16.4222 -16.4222 -16.3875 -16.3875 -16.3809 -16.3809 -16.3550 -16.3550 -13.6481 -13.6481 -13.5839 -13.5839 -13.4483 -13.4483 -13.4473 -13.4473 -13.3618 -13.3618 -13.3510 -13.3510 -11.1680 -11.1680 -10.1346 -10.1346 -9.2069 -9.2069 -9.0416 -9.0416 -7.0122 -7.0122 -6.8066 -6.8066 -1.9732 -1.9732 -0.6999 -0.6999 -0.0543 -0.0543 0.0788 0.0788 0.1542 0.1542 0.3818 0.3818 0.5420 0.5420 0.7199 0.7199 0.8617 0.8617 0.9523 0.9523 0.9563 0.9563 1.1964 1.1964 2.0288 2.0288 2.7901 2.7901 3.0060 3.0060 3.4864 3.4864 3.6861 3.6861 3.9516 3.9516 4.4945 4.4945 4.7719 4.7719 4.8245 4.8245 5.3101 5.3101 5.5848 5.5848 5.6516 5.6516 5.8865 5.8865 5.9459 5.9459 6.0629 6.0629 6.1838 6.1838 6.5659 6.5659 6.6465 6.6465 9.6626 9.6626 10.2707 10.2707 11.1669 11.1669 11.8969 11.8969 12.1666 12.1666 12.8905 12.8905 13.1877 13.1877 13.5051 13.5051 13.5677 13.5677 k = 0.0132-0.0000 0.2784 ( 6878 PWs) bands (ev): -16.4223 -16.4223 -16.3874 -16.3874 -16.3808 -16.3808 -16.3550 -16.3550 -13.6484 -13.6484 -13.5833 -13.5833 -13.4490 -13.4490 -13.4466 -13.4466 -13.3618 -13.3618 -13.3511 -13.3511 -11.1672 -11.1672 -10.1341 -10.1341 -9.2071 -9.2071 -9.0423 -9.0423 -7.0120 -7.0120 -6.8065 -6.8065 -1.9760 -1.9760 -0.7031 -0.7031 -0.0545 -0.0545 0.0791 0.0791 0.1547 0.1547 0.3819 0.3819 0.5419 0.5419 0.7204 0.7204 0.8616 0.8616 0.9473 0.9473 0.9614 0.9614 1.1965 1.1965 2.0307 2.0307 2.7847 2.7847 3.0113 3.0113 3.4862 3.4862 3.6919 3.6919 3.9528 3.9528 4.4822 4.4822 4.7705 4.7705 4.8351 4.8351 5.3084 5.3084 5.5833 5.5833 5.6498 5.6498 5.8856 5.8856 5.9464 5.9464 6.0472 6.0472 6.2014 6.2014 6.5654 6.5654 6.6460 6.6460 9.6639 9.6639 10.2710 10.2710 11.1676 11.1676 11.8967 11.8967 12.1674 12.1674 12.8901 12.8901 13.1886 13.1886 13.5011 13.5011 13.5718 13.5718 k = 0.0263-0.0000 0.2784 ( 6880 PWs) bands (ev): -16.4224 -16.4224 -16.3871 -16.3871 -16.3807 -16.3807 -16.3550 -16.3550 -13.6492 -13.6492 -13.5818 -13.5818 -13.4499 -13.4499 -13.4455 -13.4455 -13.3618 -13.3618 -13.3513 -13.3513 -11.1648 -11.1648 -10.1327 -10.1327 -9.2079 -9.2079 -9.0446 -9.0446 -7.0114 -7.0114 -6.8064 -6.8064 -1.9841 -1.9841 -0.7127 -0.7127 -0.0548 -0.0548 0.0797 0.0797 0.1559 0.1559 0.3822 0.3822 0.5418 0.5418 0.7218 0.7218 0.8615 0.8615 0.9410 0.9410 0.9682 0.9682 1.1967 1.1967 2.0366 2.0366 2.7698 2.7698 3.0259 3.0259 3.4861 3.4861 3.7086 3.7086 3.9566 3.9566 4.4498 4.4498 4.7645 4.7645 4.8645 4.8645 5.3034 5.3034 5.5790 5.5790 5.6443 5.6443 5.8830 5.8830 5.9470 5.9470 6.0157 6.0157 6.2392 6.2392 6.5639 6.5639 6.6445 6.6445 9.6679 9.6679 10.2718 10.2718 11.1696 11.1696 11.8963 11.8963 12.1697 12.1697 12.8890 12.8890 13.1913 13.1913 13.4913 13.4913 13.5819 13.5819 k = 0.0395-0.0000 0.2784 ( 6884 PWs) bands (ev): -16.4226 -16.4226 -16.3866 -16.3866 -16.3805 -16.3805 -16.3550 -16.3550 -13.6505 -13.6505 -13.5794 -13.5794 -13.4508 -13.4508 -13.4443 -13.4443 -13.3619 -13.3619 -13.3516 -13.3516 -11.1608 -11.1608 -10.1304 -10.1304 -9.2093 -9.2093 -9.0484 -9.0484 -7.0105 -7.0105 -6.8062 -6.8062 -1.9976 -1.9976 -0.7286 -0.7286 -0.0552 -0.0552 0.0808 0.0808 0.1580 0.1580 0.3828 0.3828 0.5415 0.5415 0.7241 0.7241 0.8613 0.8613 0.9347 0.9347 0.9751 0.9751 1.1969 1.1969 2.0462 2.0462 2.7489 2.7489 3.0472 3.0472 3.4865 3.4865 3.7348 3.7348 3.9632 3.9632 4.4054 4.4054 4.7530 4.7530 4.9055 4.9055 5.2950 5.2950 5.5721 5.5721 5.6354 5.6354 5.8787 5.8787 5.9425 5.9425 5.9876 5.9876 6.2834 6.2834 6.5615 6.5615 6.6419 6.6419 9.6743 9.6743 10.2732 10.2732 11.1729 11.1729 11.8957 11.8957 12.1735 12.1735 12.8869 12.8869 13.1956 13.1956 13.4791 13.4791 13.5953 13.5953 k = 0.0526-0.0000 0.2784 ( 6880 PWs) bands (ev): -16.4230 -16.4230 -16.3861 -16.3861 -16.3801 -16.3801 -16.3549 -16.3549 -13.6520 -13.6520 -13.5762 -13.5762 -13.4517 -13.4517 -13.4430 -13.4430 -13.3619 -13.3619 -13.3521 -13.3521 -11.1551 -11.1551 -10.1272 -10.1272 -9.2112 -9.2112 -9.0537 -9.0537 -7.0091 -7.0091 -6.8059 -6.8059 -2.0161 -2.0161 -0.7507 -0.7507 -0.0557 -0.0557 0.0822 0.0822 0.1608 0.1608 0.3835 0.3835 0.5412 0.5412 0.7271 0.7271 0.8610 0.8610 0.9287 0.9287 0.9820 0.9820 1.1973 1.1973 2.0594 2.0594 2.7250 2.7250 3.0728 3.0728 3.4880 3.4880 3.7680 3.7680 3.9731 3.9731 4.3549 4.3549 4.7362 4.7362 4.9515 4.9515 5.2829 5.2829 5.5629 5.5629 5.6233 5.6233 5.8726 5.8726 5.9222 5.9222 5.9786 5.9786 6.3292 6.3292 6.5583 6.5583 6.6382 6.6382 9.6830 9.6830 10.2753 10.2753 11.1775 11.1775 11.8947 11.8947 12.1786 12.1786 12.8835 12.8835 13.2015 13.2015 13.4663 13.4663 13.6106 13.6106 k = 0.0658-0.0000 0.2784 ( 6874 PWs) bands (ev): -16.4233 -16.4233 -16.3856 -16.3856 -16.3796 -16.3796 -16.3548 -16.3548 -13.6537 -13.6537 -13.5725 -13.5725 -13.4525 -13.4525 -13.4416 -13.4416 -13.3619 -13.3619 -13.3527 -13.3527 -11.1479 -11.1479 -10.1231 -10.1231 -9.2136 -9.2136 -9.0605 -9.0605 -7.0074 -7.0074 -6.8056 -6.8056 -2.0392 -2.0392 -0.7787 -0.7787 -0.0562 -0.0562 0.0839 0.0839 0.1644 0.1644 0.3845 0.3845 0.5409 0.5409 0.7309 0.7309 0.8607 0.8607 0.9231 0.9231 0.9889 0.9889 1.1977 1.1977 2.0758 2.0758 2.7004 2.7004 3.1015 3.1015 3.4908 3.4908 3.8054 3.8054 3.9871 3.9871 4.3022 4.3022 4.7147 4.7147 4.9980 4.9980 5.2673 5.2673 5.5521 5.5521 5.6087 5.6087 5.8645 5.8645 5.8941 5.8941 5.9828 5.9828 6.3746 6.3746 6.5541 6.5541 6.6336 6.6336 9.6938 9.6938 10.2782 10.2782 11.1836 11.1836 11.8934 11.8934 12.1850 12.1850 12.8785 12.8785 13.2086 13.2086 13.4541 13.4541 13.6274 13.6274 k = 0.0789-0.0000 0.2784 ( 6880 PWs) bands (ev): -16.4236 -16.4236 -16.3851 -16.3851 -16.3788 -16.3788 -16.3548 -16.3548 -13.6554 -13.6554 -13.5683 -13.5683 -13.4533 -13.4533 -13.4402 -13.4402 -13.3619 -13.3619 -13.3534 -13.3534 -11.1391 -11.1391 -10.1181 -10.1181 -9.2167 -9.2167 -9.0688 -9.0688 -7.0054 -7.0054 -6.8052 -6.8052 -2.0665 -2.0665 -0.8124 -0.8124 -0.0567 -0.0567 0.0857 0.0857 0.1685 0.1685 0.3856 0.3856 0.5405 0.5405 0.7352 0.7352 0.8602 0.8602 0.9178 0.9178 0.9957 0.9957 1.1981 1.1981 2.0950 2.0950 2.6767 2.6767 3.1326 3.1326 3.4950 3.4950 3.8434 3.8434 4.0066 4.0066 4.2500 4.2500 4.6890 4.6890 5.0413 5.0413 5.2485 5.2485 5.5403 5.5403 5.5924 5.5924 5.8531 5.8531 5.8684 5.8684 5.9914 5.9914 6.4187 6.4187 6.5494 6.5494 6.6280 6.6280 9.7064 9.7064 10.2822 10.2822 11.1911 11.1911 11.8917 11.8917 12.1926 12.1926 12.8715 12.8715 13.2167 13.2167 13.4433 13.4433 13.6460 13.6460 k = 0.0921-0.0000 0.2784 ( 6870 PWs) bands (ev): -16.4240 -16.4240 -16.3847 -16.3847 -16.3778 -16.3778 -16.3546 -16.3546 -13.6570 -13.6570 -13.5638 -13.5638 -13.4540 -13.4540 -13.4386 -13.4386 -13.3620 -13.3620 -13.3542 -13.3542 -11.1286 -11.1286 -10.1121 -10.1121 -9.2203 -9.2203 -9.0786 -9.0786 -7.0029 -7.0029 -6.8047 -6.8047 -2.0975 -2.0975 -0.8516 -0.8516 -0.0571 -0.0571 0.0877 0.0877 0.1731 0.1731 0.3870 0.3870 0.5402 0.5402 0.7400 0.7400 0.8597 0.8597 0.9130 0.9130 1.0025 1.0025 1.1986 1.1986 2.1166 2.1166 2.6551 2.6551 3.1659 3.1659 3.5005 3.5005 3.8775 3.8775 4.0322 4.0322 4.2017 4.2017 4.6594 4.6594 5.0764 5.0764 5.2293 5.2293 5.5285 5.5285 5.5757 5.5757 5.8356 5.8356 5.8504 5.8504 6.0025 6.0025 6.4601 6.4601 6.5442 6.5442 6.6218 6.6218 9.7204 9.7204 10.2874 10.2874 11.2001 11.2001 11.8896 11.8896 12.2010 12.2010 12.8622 12.8622 13.2256 13.2256 13.4344 13.4344 13.6666 13.6666 k = 0.1053-0.0000 0.2784 ( 6872 PWs) bands (ev): -16.4243 -16.4243 -16.3845 -16.3845 -16.3766 -16.3766 -16.3545 -16.3545 -13.6584 -13.6584 -13.5592 -13.5592 -13.4547 -13.4547 -13.4370 -13.4370 -13.3622 -13.3622 -13.3550 -13.3550 -11.1166 -11.1166 -10.1053 -10.1053 -9.2245 -9.2245 -9.0900 -9.0900 -7.0002 -7.0002 -6.8042 -6.8042 -2.1317 -2.1317 -0.8958 -0.8958 -0.0572 -0.0572 0.0897 0.0897 0.1782 0.1782 0.3886 0.3886 0.5399 0.5399 0.7451 0.7451 0.8591 0.8591 0.9087 0.9087 1.0090 1.0090 1.1990 1.1990 2.1400 2.1400 2.6367 2.6367 3.2011 3.2011 3.5069 3.5069 3.9035 3.9035 4.0592 4.0592 4.1659 4.1659 4.6265 4.6265 5.0940 5.0940 5.2166 5.2166 5.5178 5.5178 5.5602 5.5602 5.8153 5.8153 5.8364 5.8364 6.0153 6.0153 6.4964 6.4964 6.5399 6.5399 6.6159 6.6159 9.7354 9.7354 10.2942 10.2942 11.2106 11.2106 11.8871 11.8871 12.2101 12.2101 12.8504 12.8504 13.2347 13.2347 13.4276 13.4276 13.6898 13.6898 k = 0.1184-0.0000 0.2784 ( 6862 PWs) bands (ev): -16.4245 -16.4245 -16.3843 -16.3843 -16.3752 -16.3752 -16.3544 -16.3544 -13.6595 -13.6595 -13.5546 -13.5546 -13.4553 -13.4553 -13.4353 -13.4353 -13.3625 -13.3625 -13.3559 -13.3559 -11.1029 -11.1029 -10.0977 -10.0977 -9.2294 -9.2294 -9.1028 -9.1028 -6.9971 -6.9971 -6.8036 -6.8036 -2.1686 -2.1686 -0.9447 -0.9447 -0.0570 -0.0570 0.0918 0.0918 0.1835 0.1835 0.3904 0.3904 0.5398 0.5398 0.7503 0.7503 0.8586 0.8586 0.9049 0.9049 1.0154 1.0154 1.1994 1.1994 2.1645 2.1645 2.6223 2.6223 3.2380 3.2380 3.5141 3.5141 3.9180 3.9180 4.0663 4.0663 4.1670 4.1670 4.5909 4.5909 5.0846 5.0846 5.2185 5.2185 5.5090 5.5090 5.5475 5.5475 5.7961 5.7961 5.8222 5.8222 6.0298 6.0298 6.5175 6.5175 6.5435 6.5435 6.6130 6.6130 9.7509 9.7509 10.3030 10.3030 11.2227 11.2227 11.8842 11.8842 12.2195 12.2195 12.8362 12.8362 13.2439 13.2439 13.4228 13.4228 13.7161 13.7161 k = 0.1316-0.0000 0.2784 ( 6864 PWs) bands (ev): -16.4247 -16.4247 -16.3843 -16.3843 -16.3737 -16.3737 -16.3542 -16.3542 -13.6604 -13.6604 -13.5500 -13.5500 -13.4559 -13.4559 -13.4334 -13.4334 -13.3629 -13.3629 -13.3566 -13.3566 -11.0877 -11.0877 -10.0892 -10.0892 -9.2349 -9.2349 -9.1171 -9.1171 -6.9936 -6.9936 -6.8031 -6.8031 -2.2076 -2.2076 -0.9979 -0.9979 -0.0564 -0.0564 0.0938 0.0938 0.1891 0.1891 0.3924 0.3924 0.5397 0.5397 0.7554 0.7554 0.8579 0.8579 0.9017 0.9017 1.0215 1.0215 1.1997 1.1997 2.1894 2.1894 2.6126 2.6126 3.2761 3.2761 3.5215 3.5215 3.9170 3.9170 4.0544 4.0544 4.2074 4.2074 4.5534 4.5534 5.0533 5.0533 5.2284 5.2284 5.5026 5.5026 5.5390 5.5390 5.7783 5.7783 5.8069 5.8069 6.0459 6.0459 6.5165 6.5165 6.5546 6.5546 6.6204 6.6204 9.7667 9.7667 10.3139 10.3139 11.2362 11.2362 11.8810 11.8810 12.2290 12.2290 12.8201 12.8201 13.2526 13.2526 13.4197 13.4197 13.7461 13.7461 k = 0.1447-0.0000 0.2784 ( 6860 PWs) bands (ev): -16.4248 -16.4248 -16.3843 -16.3843 -16.3721 -16.3721 -16.3539 -16.3539 -13.6609 -13.6609 -13.5455 -13.5455 -13.4564 -13.4564 -13.4315 -13.4315 -13.3636 -13.3636 -13.3572 -13.3572 -11.0709 -11.0709 -10.0798 -10.0798 -9.2411 -9.2411 -9.1328 -9.1328 -6.9899 -6.9899 -6.8025 -6.8025 -2.2482 -2.2482 -1.0549 -1.0549 -0.0554 -0.0554 0.0960 0.0960 0.1947 0.1947 0.3947 0.3947 0.5397 0.5397 0.7603 0.7603 0.8574 0.8574 0.8989 0.8989 1.0273 1.0273 1.2000 1.2000 2.2140 2.2140 2.6083 2.6083 3.3151 3.3151 3.5285 3.5285 3.8990 3.8990 4.0498 4.0498 4.2619 4.2619 4.5149 4.5149 5.0108 5.0108 5.2355 5.2355 5.4986 5.4986 5.5359 5.5359 5.7613 5.7613 5.7905 5.7905 6.0636 6.0636 6.5099 6.5099 6.5531 6.5531 6.6414 6.6414 9.7823 9.7823 10.3274 10.3274 11.2512 11.2512 11.8775 11.8775 12.2382 12.2382 12.8024 12.8024 13.2606 13.2606 13.4179 13.4179 13.7800 13.7800 k = 0.1579-0.0000 0.2784 ( 6858 PWs) bands (ev): -16.4248 -16.4248 -16.3844 -16.3844 -16.3705 -16.3705 -16.3536 -16.3536 -13.6610 -13.6610 -13.5412 -13.5412 -13.4568 -13.4568 -13.4295 -13.4295 -13.3646 -13.3646 -13.3576 -13.3576 -11.0525 -11.0525 -10.0697 -10.0697 -9.2482 -9.2482 -9.1500 -9.1500 -6.9858 -6.9858 -6.8019 -6.8019 -2.2897 -2.2897 -1.1154 -1.1154 -0.0539 -0.0539 0.0982 0.0982 0.2002 0.2002 0.3971 0.3971 0.5398 0.5398 0.7649 0.7649 0.8569 0.8569 0.8968 0.8968 1.0328 1.0328 1.2001 1.2001 2.2377 2.2377 2.6100 2.6100 3.3541 3.3541 3.5343 3.5343 3.8710 3.8710 4.0550 4.0550 4.3204 4.3204 4.4768 4.4768 4.9629 4.9629 5.2356 5.2356 5.4964 5.4964 5.5384 5.5384 5.7448 5.7448 5.7731 5.7731 6.0829 6.0829 6.5022 6.5022 6.5430 6.5430 6.6678 6.6678 9.7976 9.7976 10.3436 10.3436 11.2675 11.2675 11.8738 11.8738 12.2468 12.2468 12.7840 12.7840 13.2676 13.2676 13.4168 13.4168 13.8182 13.8182 k = 0.1711-0.0000 0.2784 ( 6862 PWs) bands (ev): -16.4247 -16.4247 -16.3845 -16.3845 -16.3690 -16.3690 -16.3533 -16.3533 -13.6607 -13.6607 -13.5371 -13.5371 -13.4571 -13.4571 -13.4273 -13.4273 -13.3658 -13.3658 -13.3579 -13.3579 -11.0325 -11.0325 -10.0587 -10.0587 -9.2561 -9.2561 -9.1683 -9.1683 -6.9815 -6.9815 -6.8014 -6.8014 -2.3319 -2.3319 -1.1788 -1.1788 -0.0520 -0.0520 0.1004 0.1004 0.2057 0.2057 0.3996 0.3996 0.5402 0.5402 0.7690 0.7690 0.8568 0.8568 0.8951 0.8951 1.0379 1.0379 1.2001 1.2001 2.2598 2.2598 2.6179 2.6179 3.3918 3.3918 3.5381 3.5381 3.8419 3.8419 4.0642 4.0642 4.3779 4.3779 4.4417 4.4417 4.9128 4.9128 5.2287 5.2287 5.4953 5.4953 5.5449 5.5449 5.7283 5.7283 5.7550 5.7550 6.1032 6.1032 6.4940 6.4940 6.5289 6.5289 6.6942 6.6942 9.8122 9.8122 10.3626 10.3626 11.2850 11.2850 11.8701 11.8701 12.2544 12.2544 12.7655 12.7655 13.2732 13.2732 13.4158 13.4158 13.8607 13.8607 k = 0.1842-0.0000 0.2784 ( 6860 PWs) bands (ev): -16.4244 -16.4244 -16.3846 -16.3846 -16.3675 -16.3675 -16.3529 -16.3529 -13.6600 -13.6600 -13.5334 -13.5334 -13.4574 -13.4574 -13.4251 -13.4251 -13.3672 -13.3672 -13.3580 -13.3580 -11.0110 -11.0110 -10.0470 -10.0470 -9.2652 -9.2652 -9.1878 -9.1878 -6.9769 -6.9769 -6.8009 -6.8009 -2.3740 -2.3740 -1.2447 -1.2447 -0.0494 -0.0494 0.1027 0.1027 0.2109 0.2109 0.4023 0.4023 0.5407 0.5407 0.7724 0.7724 0.8569 0.8569 0.8939 0.8939 1.0426 1.0426 1.1999 1.1999 2.2801 2.2801 2.6321 2.6321 3.4253 3.4253 3.5402 3.5402 3.8173 3.8173 4.0729 4.0729 4.3999 4.3999 4.4435 4.4435 4.8633 4.8633 5.2169 5.2169 5.4953 5.4953 5.5531 5.5531 5.7116 5.7116 5.7368 5.7368 6.1242 6.1242 6.4855 6.4855 6.5129 6.5129 6.7187 6.7187 9.8264 9.8264 10.3844 10.3844 11.3035 11.3035 11.8667 11.8667 12.2608 12.2608 12.7478 12.7478 13.2773 13.2773 13.4145 13.4145 13.9076 13.9076 k = 0.1974-0.0000 0.2784 ( 6860 PWs) bands (ev): -16.4241 -16.4241 -16.3848 -16.3848 -16.3661 -16.3661 -16.3525 -16.3525 -13.6589 -13.6589 -13.5300 -13.5300 -13.4575 -13.4575 -13.4229 -13.4229 -13.3687 -13.3687 -13.3580 -13.3580 -10.9880 -10.9880 -10.0346 -10.0346 -9.2757 -9.2757 -9.2080 -9.2080 -6.9720 -6.9720 -6.8004 -6.8004 -2.4158 -2.4158 -1.3126 -1.3126 -0.0462 -0.0462 0.1051 0.1051 0.2159 0.2159 0.4052 0.4052 0.5415 0.5415 0.7751 0.7751 0.8575 0.8575 0.8931 0.8931 1.0468 1.0468 1.1994 1.1994 2.2988 2.2988 2.6523 2.6523 3.4488 3.4488 3.5444 3.5444 3.8007 3.8007 4.0777 4.0777 4.3755 4.3755 4.4922 4.4922 4.8175 4.8175 5.2024 5.2024 5.4961 5.4961 5.5604 5.5604 5.6942 5.6942 5.7193 5.7193 6.1451 6.1451 6.4756 6.4756 6.4972 6.4972 6.7406 6.7406 9.8403 9.8403 10.4089 10.4089 11.3228 11.3228 11.8636 11.8636 12.2657 12.2657 12.7315 12.7315 13.2797 13.2797 13.4123 13.4123 13.9585 13.9585 k = 0.2105-0.0000 0.2784 ( 6868 PWs) bands (ev): -16.4237 -16.4237 -16.3850 -16.3850 -16.3648 -16.3648 -16.3520 -16.3520 -13.6574 -13.6574 -13.5271 -13.5271 -13.4575 -13.4575 -13.4206 -13.4206 -13.3702 -13.3702 -13.3579 -13.3579 -10.9634 -10.9634 -10.0214 -10.0214 -9.2882 -9.2882 -9.2284 -9.2284 -6.9669 -6.9669 -6.8001 -6.8001 -2.4568 -2.4568 -1.3822 -1.3822 -0.0426 -0.0426 0.1075 0.1075 0.2205 0.2205 0.4080 0.4080 0.5427 0.5427 0.7770 0.7770 0.8586 0.8586 0.8926 0.8926 1.0505 1.0505 1.1987 1.1987 2.3161 2.3161 2.6778 2.6778 3.4535 3.4535 3.5578 3.5578 3.7930 3.7930 4.0758 4.0758 4.3559 4.3559 4.5341 4.5341 4.7805 4.7805 5.1877 5.1877 5.4975 5.4975 5.5647 5.5647 5.6761 5.6761 5.7036 5.7036 6.1649 6.1649 6.4614 6.4614 6.4853 6.4853 6.7595 6.7595 9.8540 9.8540 10.4356 10.4356 11.3425 11.3425 11.8614 11.8614 12.2690 12.2690 12.7172 12.7172 13.2802 13.2802 13.4090 13.4090 14.0132 14.0132 k = 0.2237-0.0000 0.2784 ( 6870 PWs) bands (ev): -16.4231 -16.4231 -16.3852 -16.3852 -16.3635 -16.3635 -16.3514 -16.3514 -13.6554 -13.6554 -13.5245 -13.5245 -13.4575 -13.4575 -13.4183 -13.4183 -13.3718 -13.3718 -13.3578 -13.3578 -10.9373 -10.9373 -10.0076 -10.0076 -9.3034 -9.3034 -9.2481 -9.2481 -6.9616 -6.9616 -6.7998 -6.7998 -2.4966 -2.4966 -1.4529 -1.4529 -0.0382 -0.0382 0.1101 0.1101 0.2247 0.2247 0.4108 0.4108 0.5442 0.5442 0.7781 0.7781 0.8600 0.8600 0.8925 0.8925 1.0537 1.0537 1.1977 1.1977 2.3327 2.3327 2.7077 2.7077 3.4401 3.4401 3.5799 3.5799 3.7937 3.7937 4.0662 4.0662 4.3431 4.3431 4.5609 4.5609 4.7592 4.7592 5.1750 5.1750 5.4994 5.4994 5.5644 5.5644 5.6575 5.6575 5.6907 5.6907 6.1826 6.1826 6.4421 6.4421 6.4787 6.4787 6.7752 6.7752 9.8680 9.8680 10.4642 10.4642 11.3625 11.3625 11.8603 11.8603 12.2708 12.2708 12.7050 12.7050 13.2790 13.2790 13.4041 13.4041 14.0714 14.0714 k = 0.2368-0.0000 0.2784 ( 6872 PWs) bands (ev): -16.4224 -16.4224 -16.3855 -16.3855 -16.3624 -16.3624 -16.3508 -16.3508 -13.6531 -13.6531 -13.5224 -13.5224 -13.4573 -13.4573 -13.4161 -13.4161 -13.3734 -13.3734 -13.3576 -13.3576 -10.9098 -10.9098 -9.9932 -9.9932 -9.3223 -9.3223 -9.2664 -9.2664 -6.9561 -6.9561 -6.7996 -6.7996 -2.5348 -2.5348 -1.5244 -1.5244 -0.0332 -0.0332 0.1128 0.1128 0.2286 0.2286 0.4134 0.4134 0.5462 0.5462 0.7785 0.7785 0.8619 0.8619 0.8926 0.8926 1.0564 1.0564 1.1964 1.1964 2.3492 2.3492 2.7413 2.7413 3.4165 3.4165 3.6031 3.6031 3.8009 3.8009 4.0503 4.0503 4.3336 4.3336 4.5706 4.5706 4.7575 4.7575 5.1667 5.1667 5.5010 5.5010 5.5589 5.5589 5.6392 5.6392 5.6814 5.6814 6.1972 6.1972 6.4198 6.4198 6.4758 6.4758 6.7876 6.7876 9.8827 9.8827 10.4940 10.4940 11.3823 11.3823 11.8607 11.8607 12.2713 12.2713 12.6953 12.6953 13.2761 13.2761 13.3974 13.3974 14.1327 14.1327 k = 0.2500-0.0000 0.2784 ( 6876 PWs) bands (ev): -16.4217 -16.4217 -16.3858 -16.3858 -16.3615 -16.3615 -16.3502 -16.3502 -13.6503 -13.6503 -13.5207 -13.5207 -13.4570 -13.4570 -13.4141 -13.4141 -13.3748 -13.3748 -13.3574 -13.3574 -10.8808 -10.8808 -9.9782 -9.9782 -9.3451 -9.3451 -9.2828 -9.2828 -6.9504 -6.9504 -6.7996 -6.7996 -2.5712 -2.5712 -1.5963 -1.5963 -0.0276 -0.0276 0.1156 0.1156 0.2321 0.2321 0.4158 0.4158 0.5488 0.5488 0.7784 0.7784 0.8640 0.8640 0.8929 0.8929 1.0586 1.0586 1.1947 1.1947 2.3661 2.3661 2.7776 2.7776 3.3881 3.3881 3.6220 3.6220 3.8129 3.8129 4.0315 4.0315 4.3213 4.3213 4.5733 4.5733 4.7677 4.7677 5.1651 5.1651 5.5007 5.5007 5.5493 5.5493 5.6217 5.6217 5.6757 5.6757 6.2079 6.2079 6.3960 6.3960 6.4755 6.4755 6.7966 6.7966 9.8985 9.8985 10.5244 10.5244 11.4019 11.4019 11.8631 11.8631 12.2708 12.2708 12.6880 12.6880 13.2715 13.2715 13.3887 13.3887 14.1967 14.1967 k = 0.2632-0.0000 0.2784 ( 6864 PWs) bands (ev): -16.4208 -16.4208 -16.3861 -16.3861 -16.3606 -16.3606 -16.3495 -16.3495 -13.6472 -13.6472 -13.5195 -13.5195 -13.4566 -13.4566 -13.4123 -13.4123 -13.3761 -13.3761 -13.3572 -13.3572 -10.8504 -10.8504 -9.9626 -9.9626 -9.3714 -9.3714 -9.2979 -9.2979 -6.9446 -6.9446 -6.7996 -6.7996 -2.6054 -2.6054 -1.6683 -1.6683 -0.0214 -0.0214 0.1185 0.1185 0.2351 0.2351 0.4178 0.4178 0.5520 0.5520 0.7777 0.7777 0.8664 0.8664 0.8935 0.8935 1.0602 1.0602 1.1926 1.1926 2.3838 2.3838 2.8158 2.8158 3.3579 3.3579 3.6329 3.6329 3.8283 3.8283 4.0132 4.0132 4.3019 4.3019 4.5813 4.5813 4.7786 4.7786 5.1717 5.1717 5.4952 5.4952 5.5400 5.5400 5.6052 5.6052 5.6735 5.6735 6.2143 6.2143 6.3713 6.3713 6.4773 6.4773 6.8022 6.8022 9.9158 9.9158 10.5546 10.5546 11.4208 11.4208 11.8676 11.8676 12.2698 12.2698 12.6830 12.6830 13.2654 13.2654 13.3779 13.3779 14.2631 14.2631 k = 0.2763-0.0000 0.2784 ( 6868 PWs) bands (ev): -16.4199 -16.4199 -16.3865 -16.3865 -16.3598 -16.3598 -16.3489 -16.3489 -13.6437 -13.6437 -13.5188 -13.5188 -13.4561 -13.4561 -13.4108 -13.4108 -13.3770 -13.3770 -13.3569 -13.3569 -10.8186 -10.8186 -9.9466 -9.9466 -9.4004 -9.4004 -9.3122 -9.3122 -6.9386 -6.9386 -6.7999 -6.7999 -2.6372 -2.6372 -1.7399 -1.7399 -0.0147 -0.0147 0.1215 0.1215 0.2379 0.2379 0.4191 0.4191 0.5560 0.5560 0.7766 0.7766 0.8689 0.8689 0.8941 0.8941 1.0613 1.0613 1.1900 1.1900 2.4028 2.4028 2.8553 2.8553 3.3276 3.3276 3.6338 3.6338 3.8462 3.8462 3.9975 3.9975 4.2763 4.2763 4.5989 4.5989 4.7842 4.7842 5.1864 5.1864 5.4805 5.4805 5.5361 5.5361 5.5898 5.5898 5.6743 5.6743 6.2165 6.2165 6.3460 6.3460 6.4803 6.4803 6.8044 6.8044 9.9348 9.9348 10.5839 10.5839 11.4393 11.4393 11.8746 11.8746 12.2688 12.2688 12.6800 12.6800 13.2577 13.2577 13.3650 13.3650 14.3314 14.3314 k = 0.2895-0.0000 0.2784 ( 6864 PWs) bands (ev): -16.4188 -16.4188 -16.3868 -16.3868 -16.3590 -16.3590 -16.3483 -16.3483 -13.6399 -13.6399 -13.5184 -13.5184 -13.4554 -13.4554 -13.4098 -13.4098 -13.3776 -13.3776 -13.3567 -13.3567 -10.7854 -10.7854 -9.9301 -9.9301 -9.4316 -9.4316 -9.3262 -9.3262 -6.9326 -6.9326 -6.8003 -6.8003 -2.6663 -2.6663 -1.8108 -1.8108 -0.0074 -0.0074 0.1245 0.1245 0.2403 0.2403 0.4198 0.4198 0.5609 0.5609 0.7752 0.7752 0.8714 0.8714 0.8949 0.8949 1.0618 1.0618 1.1869 1.1869 2.4232 2.4232 2.8953 2.8953 3.2983 3.2983 3.6242 3.6242 3.8656 3.8656 3.9840 3.9840 4.2492 4.2492 4.6239 4.6239 4.7841 4.7841 5.2072 5.2072 5.4590 5.4590 5.5367 5.5367 5.5760 5.5760 5.6779 5.6779 6.2150 6.2150 6.3206 6.3206 6.4838 6.4838 6.8031 6.8031 9.9558 9.9558 10.6114 10.6114 11.4572 11.4572 11.8839 11.8839 12.2685 12.2685 12.6791 12.6791 13.2484 13.2484 13.3500 13.3500 14.4013 14.4013 k = 0.3026-0.0000 0.2784 ( 6866 PWs) bands (ev): -16.4177 -16.4177 -16.3873 -16.3873 -16.3583 -16.3583 -16.3477 -16.3477 -13.6358 -13.6358 -13.5185 -13.5185 -13.4547 -13.4547 -13.4094 -13.4094 -13.3778 -13.3778 -13.3565 -13.3565 -10.7510 -10.7510 -9.9134 -9.9134 -9.4645 -9.4645 -9.3403 -9.3403 -6.9264 -6.9264 -6.8009 -6.8009 -2.6926 -2.6926 -1.8809 -1.8809 0.0003 0.0003 0.1276 0.1276 0.2425 0.2425 0.4195 0.4195 0.5667 0.5667 0.7735 0.7735 0.8738 0.8738 0.8958 0.8958 1.0620 1.0620 1.1833 1.1833 2.4453 2.4453 2.9351 2.9351 3.2707 3.2707 3.6052 3.6052 3.8855 3.8855 3.9698 3.9698 4.2265 4.2265 4.6513 4.6513 4.7813 4.7813 5.2306 5.2306 5.4345 5.4345 5.5371 5.5371 5.5660 5.5660 5.6846 5.6846 6.2103 6.2103 6.2955 6.2955 6.4867 6.4867 6.7984 6.7984 9.9790 9.9790 10.6363 10.6363 11.4751 11.4751 11.8953 11.8953 12.2695 12.2695 12.6799 12.6799 13.2372 13.2372 13.3332 13.3332 14.4724 14.4724 k = 0.3158-0.0000 0.2784 ( 6856 PWs) bands (ev): -16.4166 -16.4166 -16.3877 -16.3877 -16.3577 -16.3577 -16.3472 -16.3472 -13.6314 -13.6314 -13.5189 -13.5189 -13.4539 -13.4539 -13.4095 -13.4095 -13.3775 -13.3775 -13.3563 -13.3563 -10.7153 -10.7153 -9.8965 -9.8965 -9.4989 -9.4989 -9.3547 -9.3547 -6.9202 -6.9202 -6.8018 -6.8018 -2.7158 -2.7158 -1.9497 -1.9497 0.0085 0.0085 0.1306 0.1306 0.2445 0.2445 0.4184 0.4184 0.5734 0.5734 0.7716 0.7716 0.8762 0.8762 0.8968 0.8968 1.0617 1.0617 1.1791 1.1791 2.4692 2.4692 2.9739 2.9739 3.2455 3.2455 3.5793 3.5793 3.9034 3.9034 3.9529 3.9529 4.2129 4.2129 4.6735 4.6735 4.7827 4.7827 5.2523 5.2523 5.4101 5.4101 5.5319 5.5319 5.5643 5.5643 5.6949 5.6949 6.2029 6.2029 6.2713 6.2713 6.4883 6.4883 6.7905 6.7905 10.0044 10.0044 10.6579 10.6579 11.4932 11.4932 11.9083 11.9083 12.2724 12.2724 12.6825 12.6825 13.2240 13.2240 13.3148 13.3148 14.5441 14.5441 k = 0.3289-0.0000 0.2784 ( 6852 PWs) bands (ev): -16.4153 -16.4153 -16.3882 -16.3882 -16.3570 -16.3570 -16.3467 -16.3467 -13.6268 -13.6268 -13.5198 -13.5198 -13.4530 -13.4530 -13.4101 -13.4101 -13.3768 -13.3768 -13.3561 -13.3561 -10.6783 -10.6783 -9.8796 -9.8796 -9.5342 -9.5342 -9.3694 -9.3694 -6.9140 -6.9140 -6.8028 -6.8028 -2.7358 -2.7358 -2.0170 -2.0170 0.0171 0.0171 0.1336 0.1336 0.2465 0.2465 0.4163 0.4163 0.5810 0.5810 0.7694 0.7694 0.8784 0.8784 0.8978 0.8978 1.0612 1.0612 1.1744 1.1744 2.4948 2.4948 3.0106 3.0106 3.2231 3.2231 3.5490 3.5490 3.9075 3.9075 3.9425 3.9425 4.2104 4.2104 4.6817 4.6817 4.7968 4.7968 5.2674 5.2674 5.3890 5.3890 5.5215 5.5215 5.5701 5.5701 5.7095 5.7095 6.1934 6.1934 6.2484 6.2484 6.4878 6.4878 6.7793 6.7793 10.0319 10.0319 10.6754 10.6754 11.5122 11.5122 11.9219 11.9219 12.2781 12.2781 12.6868 12.6868 13.2083 13.2083 13.2952 13.2952 14.6159 14.6159 k = 0.3421-0.0000 0.2784 ( 6850 PWs) bands (ev): -16.4141 -16.4141 -16.3887 -16.3887 -16.3564 -16.3564 -16.3464 -16.3464 -13.6219 -13.6219 -13.5210 -13.5210 -13.4520 -13.4520 -13.4111 -13.4111 -13.3757 -13.3757 -13.3559 -13.3559 -10.6403 -10.6403 -9.8631 -9.8631 -9.5702 -9.5702 -9.3845 -9.3845 -6.9077 -6.9077 -6.8041 -6.8041 -2.7524 -2.7524 -2.0825 -2.0825 0.0259 0.0259 0.1363 0.1363 0.2486 0.2486 0.4132 0.4132 0.5894 0.5894 0.7671 0.7671 0.8804 0.8804 0.8988 0.8988 1.0605 1.0605 1.1690 1.1690 2.5223 2.5223 3.0441 3.0441 3.2040 3.2040 3.5163 3.5163 3.8840 3.8840 3.9531 3.9531 4.2179 4.2179 4.6758 4.6758 4.8235 4.8235 5.2707 5.2707 5.3755 5.3755 5.5097 5.5097 5.5797 5.5797 5.7289 5.7289 6.1820 6.1820 6.2277 6.2277 6.4850 6.4850 6.7651 6.7651 10.0616 10.0616 10.6882 10.6882 11.5324 11.5324 11.9351 11.9351 12.2873 12.2873 12.6928 12.6928 13.1897 13.1897 13.2748 13.2748 14.6869 14.6869 k = 0.3553-0.0000 0.2784 ( 6844 PWs) bands (ev): -16.4127 -16.4127 -16.3893 -16.3893 -16.3558 -16.3558 -16.3461 -16.3461 -13.6169 -13.6169 -13.5225 -13.5225 -13.4509 -13.4509 -13.4126 -13.4126 -13.3744 -13.3744 -13.3558 -13.3558 -10.6011 -10.6011 -9.8474 -9.8474 -9.6063 -9.6063 -9.4001 -9.4001 -6.9015 -6.9015 -6.8056 -6.8056 -2.7656 -2.7656 -2.1461 -2.1461 0.0350 0.0350 0.1388 0.1388 0.2509 0.2509 0.4090 0.4090 0.5986 0.5986 0.7646 0.7646 0.8823 0.8823 0.8998 0.8998 1.0597 1.0597 1.1632 1.1632 2.5516 2.5516 3.0724 3.0724 3.1891 3.1891 3.4829 3.4829 3.8520 3.8520 3.9677 3.9677 4.2327 4.2327 4.6624 4.6624 4.8558 4.8558 5.2601 5.2601 5.3713 5.3713 5.4977 5.4977 5.5916 5.5916 5.7529 5.7529 6.1689 6.1689 6.2097 6.2097 6.4795 6.4795 6.7479 6.7479 10.0932 10.0932 10.6959 10.6959 11.5541 11.5541 11.9468 11.9468 12.3008 12.3008 12.7005 12.7005 13.1681 13.1681 13.2539 13.2539 14.7552 14.7552 k = 0.3684-0.0000 0.2784 ( 6838 PWs) bands (ev): -16.4114 -16.4114 -16.3899 -16.3899 -16.3552 -16.3552 -16.3460 -16.3460 -13.6117 -13.6117 -13.5244 -13.5244 -13.4498 -13.4498 -13.4143 -13.4143 -13.3729 -13.3729 -13.3557 -13.3557 -10.5609 -10.5609 -9.8338 -9.8338 -9.6410 -9.6410 -9.4161 -9.4161 -6.8953 -6.8953 -6.8074 -6.8074 -2.7752 -2.7752 -2.2075 -2.2075 0.0441 0.0441 0.1408 0.1408 0.2537 0.2537 0.4039 0.4039 0.6084 0.6084 0.7618 0.7618 0.8840 0.8840 0.9007 0.9007 1.0590 1.0590 1.1567 1.1567 2.5826 2.5826 3.0930 3.0930 3.1793 3.1793 3.4501 3.4501 3.8198 3.8198 3.9803 3.9803 4.2524 4.2524 4.6465 4.6465 4.8886 4.8886 5.2400 5.2400 5.3725 5.3725 5.4859 5.4859 5.6057 5.6057 5.7807 5.7807 6.1546 6.1546 6.1951 6.1951 6.4716 6.4716 6.7280 6.7280 10.1266 10.1266 10.6985 10.6985 11.5776 11.5776 11.9559 11.9559 12.3193 12.3193 12.7101 12.7101 13.1433 13.1433 13.2324 13.2324 14.8155 14.8155 k = 0.3816-0.0000 0.2784 ( 6834 PWs) bands (ev): -16.4101 -16.4101 -16.3906 -16.3906 -16.3546 -16.3546 -16.3459 -16.3459 -13.6064 -13.6064 -13.5266 -13.5266 -13.4486 -13.4486 -13.4162 -13.4162 -13.3714 -13.3714 -13.3557 -13.3557 -10.5198 -10.5198 -9.8248 -9.8248 -9.6721 -9.6721 -9.4326 -9.4326 -6.8891 -6.8891 -6.8094 -6.8094 -2.7811 -2.7811 -2.2666 -2.2666 0.0534 0.0534 0.1424 0.1424 0.2568 0.2568 0.3980 0.3980 0.6187 0.6187 0.7588 0.7588 0.8856 0.8856 0.9015 0.9015 1.0585 1.0585 1.1498 1.1498 2.6152 2.6152 3.1040 3.1040 3.1751 3.1751 3.4187 3.4187 3.7913 3.7913 3.9895 3.9895 4.2753 4.2753 4.6302 4.6302 4.9193 4.9193 5.2158 5.2158 5.3750 5.3750 5.4743 5.4743 5.6221 5.6221 5.8108 5.8108 6.1401 6.1401 6.1836 6.1836 6.4614 6.4614 6.7055 6.7055 10.1614 10.1614 10.6958 10.6958 11.6028 11.6028 11.9615 11.9615 12.3432 12.3432 12.7215 12.7215 13.1157 13.1157 13.2103 13.2103 14.8551 14.8551 k = 0.3947-0.0000 0.2784 ( 6832 PWs) bands (ev): -16.4087 -16.4087 -16.3913 -16.3913 -16.3540 -16.3540 -16.3459 -16.3459 -13.6010 -13.6010 -13.5291 -13.5291 -13.4473 -13.4473 -13.4182 -13.4182 -13.3698 -13.3698 -13.3558 -13.3558 -10.4778 -10.4778 -9.8251 -9.8251 -9.6944 -9.6944 -9.4495 -9.4495 -6.8831 -6.8831 -6.8117 -6.8117 -2.7834 -2.7834 -2.3231 -2.3231 0.0625 0.0625 0.1434 0.1434 0.2606 0.2606 0.3911 0.3911 0.6294 0.6294 0.7555 0.7555 0.8871 0.8871 0.9021 0.9021 1.0583 1.0583 1.1425 1.1425 2.6494 2.6494 3.1065 3.1065 3.1736 3.1736 3.3892 3.3892 3.7692 3.7692 3.9943 3.9943 4.3001 4.3001 4.6147 4.6147 4.9465 4.9465 5.1906 5.1906 5.3768 5.3768 5.4629 5.4629 5.6411 5.6411 5.8411 5.8411 6.1267 6.1267 6.1751 6.1751 6.4495 6.4495 6.6807 6.6807 10.1975 10.1975 10.6881 10.6881 11.6295 11.6295 11.9632 11.9632 12.3723 12.3723 12.7346 12.7346 13.0855 13.0855 13.1873 13.1873 14.8709 14.8709 k = 0.4079-0.0000 0.2784 ( 6824 PWs) bands (ev): -16.4074 -16.4074 -16.3920 -16.3920 -16.3533 -16.3533 -16.3460 -16.3460 -13.5956 -13.5956 -13.5319 -13.5319 -13.4460 -13.4460 -13.4203 -13.4203 -13.3683 -13.3683 -13.3560 -13.3560 -10.4350 -10.4350 -9.8401 -9.8401 -9.7027 -9.7027 -9.4669 -9.4669 -6.8771 -6.8771 -6.8143 -6.8143 -2.7819 -2.7819 -2.3769 -2.3769 0.0716 0.0716 0.1437 0.1437 0.2652 0.2652 0.3836 0.3836 0.6403 0.6403 0.7518 0.7518 0.8885 0.8885 0.9024 0.9024 1.0587 1.0587 1.1349 1.1349 2.6850 2.6850 3.1042 3.1042 3.1704 3.1704 3.3614 3.3614 3.7559 3.7559 3.9943 3.9943 4.3262 4.3262 4.6002 4.6002 4.9696 4.9696 5.1660 5.1660 5.3779 5.3779 5.4517 5.4517 5.6628 5.6628 5.8691 5.8691 6.1159 6.1159 6.1693 6.1693 6.4367 6.4367 6.6538 6.6538 10.2344 10.2344 10.6757 10.6757 11.6574 11.6574 11.9608 11.9608 12.4064 12.4064 12.7492 12.7492 13.0535 13.0535 13.1630 13.1630 14.8780 14.8780 k = 0.4211-0.0000 0.2784 ( 6826 PWs) bands (ev): -16.4060 -16.4060 -16.3928 -16.3928 -16.3527 -16.3527 -16.3462 -16.3462 -13.5902 -13.5902 -13.5350 -13.5350 -13.4446 -13.4446 -13.4224 -13.4224 -13.3668 -13.3668 -13.3562 -13.3562 -10.3915 -10.3915 -9.8686 -9.8686 -9.6982 -9.6982 -9.4846 -9.4846 -6.8713 -6.8713 -6.8172 -6.8172 -2.7767 -2.7767 -2.4278 -2.4278 0.0803 0.0803 0.1432 0.1432 0.2706 0.2706 0.3753 0.3753 0.6512 0.6512 0.7476 0.7476 0.8899 0.8899 0.9024 0.9024 1.0597 1.0597 1.1271 1.1271 2.7218 2.7218 3.0988 3.0988 3.1638 3.1638 3.3347 3.3347 3.7522 3.7522 3.9892 3.9892 4.3527 4.3527 4.5869 4.5869 4.9885 4.9885 5.1429 5.1429 5.3783 5.3783 5.4407 5.4407 5.6871 5.6871 5.8918 5.8918 6.1090 6.1090 6.1661 6.1661 6.4241 6.4241 6.6251 6.6251 10.2720 10.2720 10.6590 10.6590 11.6860 11.6860 11.9544 11.9544 12.4447 12.4447 12.7647 12.7647 13.0205 13.0205 13.1375 13.1375 14.8847 14.8847 k = 0.4342-0.0000 0.2784 ( 6820 PWs) bands (ev): -16.4047 -16.4047 -16.3936 -16.3936 -16.3520 -16.3520 -16.3465 -16.3465 -13.5848 -13.5848 -13.5384 -13.5384 -13.4431 -13.4431 -13.4245 -13.4245 -13.3654 -13.3654 -13.3565 -13.3565 -10.3475 -10.3475 -9.9050 -9.9050 -9.6862 -9.6862 -9.5027 -9.5027 -6.8656 -6.8656 -6.8203 -6.8203 -2.7677 -2.7677 -2.4758 -2.4758 0.0888 0.0888 0.1419 0.1419 0.2769 0.2769 0.3666 0.3666 0.6620 0.6620 0.7430 0.7430 0.8912 0.8912 0.9023 0.9023 1.0614 1.0614 1.1191 1.1191 2.7596 2.7596 3.0894 3.0894 3.1564 3.1564 3.3082 3.3082 3.7581 3.7581 3.9790 3.9790 4.3793 4.3793 4.5742 4.5742 5.0036 5.0036 5.1218 5.1218 5.3786 5.3786 5.4300 5.4300 5.7137 5.7137 5.9063 5.9063 6.1074 6.1074 6.1651 6.1651 6.4132 6.4132 6.5950 6.5950 10.3099 10.3099 10.6385 10.6385 11.7149 11.7149 11.9444 11.9444 12.4863 12.4863 12.7797 12.7797 12.9881 12.9881 13.1106 13.1106 14.8939 14.8939 k = 0.4474-0.0000 0.2784 ( 6822 PWs) bands (ev): -16.4034 -16.4034 -16.3945 -16.3945 -16.3514 -16.3514 -16.3469 -16.3469 -13.5794 -13.5794 -13.5421 -13.5421 -13.4415 -13.4415 -13.4266 -13.4266 -13.3640 -13.3640 -13.3569 -13.3569 -10.3029 -10.3029 -9.9454 -9.9454 -9.6706 -9.6706 -9.5212 -9.5212 -6.8601 -6.8601 -6.8237 -6.8237 -2.7549 -2.7549 -2.5206 -2.5206 0.0968 0.0968 0.1398 0.1398 0.2839 0.2839 0.3573 0.3573 0.6726 0.6726 0.7378 0.7378 0.8925 0.8925 0.9018 0.9018 1.0639 1.0639 1.1112 1.1112 2.7981 2.7981 3.0733 3.0733 3.1525 3.1525 3.2818 3.2818 3.7721 3.7721 3.9640 3.9640 4.4055 4.4055 4.5615 4.5615 5.0155 5.0155 5.1031 5.1031 5.3791 5.3791 5.4199 5.4199 5.7418 5.7418 5.9109 5.9109 6.1116 6.1116 6.1655 6.1655 6.4061 6.4061 6.5639 6.5639 10.3478 10.3478 10.6147 10.6147 11.7437 11.7437 11.9310 11.9310 12.5305 12.5305 12.7911 12.7911 12.9594 12.9594 13.0826 13.0826 14.9066 14.9066 k = 0.4605-0.0000 0.2784 ( 6824 PWs) bands (ev): -16.4021 -16.4021 -16.3955 -16.3955 -16.3507 -16.3507 -16.3473 -16.3473 -13.5742 -13.5742 -13.5460 -13.5460 -13.4399 -13.4399 -13.4287 -13.4287 -13.3628 -13.3628 -13.3575 -13.3575 -10.2579 -10.2579 -9.9881 -9.9881 -9.6532 -9.6532 -9.5399 -9.5399 -6.8547 -6.8547 -6.8274 -6.8274 -2.7383 -2.7383 -2.5621 -2.5621 0.1043 0.1043 0.1369 0.1369 0.2917 0.2917 0.3478 0.3478 0.6828 0.6828 0.7319 0.7319 0.8938 0.8938 0.9010 0.9010 1.0672 1.0672 1.1034 1.1034 2.8371 2.8371 3.0500 3.0500 3.1545 3.1545 3.2559 3.2559 3.7922 3.7922 3.9449 3.9449 4.4309 4.4309 4.5482 4.5482 5.0252 5.0252 5.0869 5.0869 5.3802 5.3802 5.4106 5.4106 5.7707 5.7707 5.9060 5.9060 6.1200 6.1200 6.1657 6.1657 6.4048 6.4048 6.5326 6.5326 10.3854 10.3854 10.5878 10.5878 11.7721 11.7721 11.9146 11.9146 12.5761 12.5761 12.7929 12.7929 12.9404 12.9404 13.0539 13.0539 14.9235 14.9235 k = 0.4737-0.0000 0.2784 ( 6822 PWs) bands (ev): -16.4009 -16.4009 -16.3964 -16.3964 -16.3501 -16.3501 -16.3478 -16.3478 -13.5690 -13.5690 -13.5502 -13.5502 -13.4382 -13.4382 -13.4307 -13.4307 -13.3616 -13.3616 -13.3581 -13.3581 -10.2127 -10.2127 -10.0321 -10.0321 -9.6349 -9.6349 -9.5588 -9.5588 -6.8496 -6.8496 -6.8313 -6.8313 -2.7180 -2.7180 -2.6003 -2.6003 0.1114 0.1114 0.1332 0.1332 0.3002 0.3002 0.3381 0.3381 0.6926 0.6926 0.7254 0.7254 0.8951 0.8951 0.9001 0.9001 1.0715 1.0715 1.0959 1.0959 2.8761 2.8761 3.0209 3.0209 3.1619 3.1619 3.2314 3.2314 3.8164 3.8164 3.9222 3.9222 4.4551 4.4551 4.5335 4.5335 5.0337 5.0337 5.0730 5.0730 5.3821 5.3821 5.4023 5.4023 5.7995 5.7995 5.8934 5.8934 6.1305 6.1305 6.1640 6.1640 6.4111 6.4111 6.5017 6.5017 10.4224 10.4224 10.5584 10.5584 11.7996 11.7996 11.8957 11.8957 12.6221 12.6221 12.7785 12.7785 12.9377 12.9377 13.0252 13.0252 14.9448 14.9448 k = 0.4868-0.0000 0.2784 ( 6822 PWs) bands (ev): -16.3997 -16.3997 -16.3975 -16.3975 -16.3495 -16.3495 -16.3483 -16.3483 -13.5640 -13.5640 -13.5546 -13.5546 -13.4365 -13.4365 -13.4327 -13.4327 -13.3606 -13.3606 -13.3588 -13.3588 -10.1673 -10.1673 -10.0768 -10.0768 -9.6161 -9.6161 -9.5779 -9.5779 -6.8447 -6.8447 -6.8355 -6.8355 -2.6940 -2.6940 -2.6351 -2.6351 0.1178 0.1178 0.1288 0.1288 0.3092 0.3092 0.3283 0.3283 0.7018 0.7018 0.7182 0.7182 0.8965 0.8965 0.8990 0.8990 1.0765 1.0765 1.0888 1.0888 2.9147 2.9147 2.9879 2.9879 3.1739 3.1739 3.2092 3.2092 3.8429 3.8429 3.8970 3.8970 4.4776 4.4776 4.5169 4.5169 5.0420 5.0420 5.0611 5.0611 5.3852 5.3852 5.3952 5.3952 5.8271 5.8271 5.8751 5.8751 6.1414 6.1414 6.1592 6.1592 6.4253 6.4253 6.4725 6.4725 10.4585 10.4585 10.5268 10.5268 11.8261 11.8261 11.8744 11.8744 12.6675 12.6675 12.7491 12.7491 12.9501 12.9501 12.9972 12.9972 14.9707 14.9707 k = 0.5000-0.0000 0.2784 ( 6820 PWs) bands (ev): -16.3986 -16.3986 -16.3986 -16.3986 -16.3489 -16.3489 -16.3489 -16.3489 -13.5592 -13.5592 -13.5592 -13.5592 -13.4346 -13.4346 -13.4346 -13.4346 -13.3596 -13.3596 -13.3596 -13.3596 -10.1219 -10.1219 -10.1219 -10.1219 -9.5970 -9.5970 -9.5970 -9.5970 -6.8400 -6.8400 -6.8400 -6.8400 -2.6664 -2.6664 -2.6664 -2.6664 0.1236 0.1236 0.1236 0.1236 0.3187 0.3187 0.3187 0.3187 0.7103 0.7103 0.7103 0.7103 0.8978 0.8978 0.8978 0.8978 1.0823 1.0823 1.0823 1.0823 2.9522 2.9522 2.9522 2.9522 3.1898 3.1898 3.1898 3.1898 3.8702 3.8702 3.8702 3.8702 4.4983 4.4983 4.4983 4.4983 5.0510 5.0510 5.0510 5.0510 5.3895 5.3895 5.3895 5.3895 5.8526 5.8526 5.8526 5.8526 6.1514 6.1514 6.1514 6.1514 6.4464 6.4464 6.4464 6.4464 10.4934 10.4934 10.4934 10.4934 11.8511 11.8511 11.8511 11.8511 12.7106 12.7106 12.7106 12.7106 12.9714 12.9714 12.9714 12.9714 15.0010 15.0010 Writing output data file CdBiClO2.save init_run : 1.32s CPU 1.73s WALL ( 1 calls) electrons : 492.16s CPU 497.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 492.14s CPU 497.84s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.39s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.13s WALL ( 263 calls) cegterg : 464.53s CPU 469.25s WALL ( 369 calls) Called by sum_band: Called by *egterg: h_psi : 192.75s CPU 194.89s WALL ( 5828 calls) s_psi : 20.97s CPU 20.91s WALL ( 5828 calls) g_psi : 0.66s CPU 0.65s WALL ( 5196 calls) cdiaghg : 207.08s CPU 209.63s WALL ( 5459 calls) cegterg:over : 26.91s CPU 26.80s WALL ( 5196 calls) cegterg:upda : 20.42s CPU 20.78s WALL ( 5196 calls) cegterg:last : 10.89s CPU 10.92s WALL ( 895 calls) cdiaghg:chol : 12.79s CPU 13.23s WALL ( 5459 calls) cdiaghg:inve : 10.67s CPU 10.64s WALL ( 5459 calls) cdiaghg:para : 18.24s CPU 18.34s WALL ( 10918 calls) Called by h_psi: h_psi:vloc : 147.77s CPU 149.90s WALL ( 5828 calls) h_psi:vnl : 44.32s CPU 44.29s WALL ( 5828 calls) add_vuspsi : 24.01s CPU 24.09s WALL ( 5828 calls) General routines calbec : 20.30s CPU 20.17s WALL ( 5828 calls) fft : 0.04s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 126.20s CPU 128.23s WALL ( 1347048 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.30s CPU 0.54s WALL ( 526 calls) Parallel routines fft_scatter : 45.86s CPU 46.90s WALL ( 1347071 calls) PWSCF : 8m48.10s CPU 9m 8.27s WALL This run was terminated on: 14:35: 3 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=