Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8:18:32 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbxNCl3x2.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 33 9 2371 1057 154 Max 57 34 10 2375 1076 159 Sum 4069 2383 661 170775 76753 11191 bravais-lattice index = 14 lattice parameter (alat) = 13.5495 a.u. unit-cell volume = 1758.9374 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.549454 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Pb 14.00 207.20000 Pb( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found 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 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0161290 -0.0093121 0.0131693), wk = 0.0047619 k( 3) = ( 0.0322581 -0.0186242 0.0263386), wk = 0.0047619 k( 4) = ( 0.0483871 -0.0279363 0.0395079), wk = 0.0047619 k( 5) = ( 0.0645161 -0.0372484 0.0526772), wk = 0.0047619 k( 6) = ( 0.0806452 -0.0465605 0.0658465), wk = 0.0047619 k( 7) = ( 0.0967742 -0.0558726 0.0790158), wk = 0.0047619 k( 8) = ( 0.1129032 -0.0651847 0.0921851), wk = 0.0047619 k( 9) = ( 0.1290323 -0.0744968 0.1053544), wk = 0.0047619 k( 10) = ( 0.1451613 -0.0838089 0.1185237), wk = 0.0047619 k( 11) = ( 0.1612903 -0.0931210 0.1316930), wk = 0.0047619 k( 12) = ( 0.1774194 -0.1024331 0.1448623), wk = 0.0047619 k( 13) = ( 0.1935484 -0.1117452 0.1580316), wk = 0.0047619 k( 14) = ( 0.2096774 -0.1210573 0.1712009), wk = 0.0047619 k( 15) = ( 0.2258064 -0.1303694 0.1843702), wk = 0.0047619 k( 16) = ( 0.2419355 -0.1396815 0.1975395), wk = 0.0047619 k( 17) = ( 0.2580645 -0.1489936 0.2107088), wk = 0.0047619 k( 18) = ( 0.2741936 -0.1583057 0.2238781), wk = 0.0047619 k( 19) = ( 0.2903226 -0.1676178 0.2370474), wk = 0.0047619 k( 20) = ( 0.3064516 -0.1769299 0.2502167), wk = 0.0047619 k( 21) = ( 0.3225807 -0.1862420 0.2633860), wk = 0.0047619 k( 22) = ( 0.3387097 -0.1955541 0.2765553), wk = 0.0047619 k( 23) = ( 0.3548387 -0.2048662 0.2897246), wk = 0.0047619 k( 24) = ( 0.3709677 -0.2141783 0.3028939), wk = 0.0047619 k( 25) = ( 0.3870968 -0.2234904 0.3160632), wk = 0.0047619 k( 26) = ( 0.4032258 -0.2328025 0.3292325), wk = 0.0047619 k( 27) = ( 0.4193548 -0.2421146 0.3424018), wk = 0.0047619 k( 28) = ( 0.4354839 -0.2514267 0.3555711), wk = 0.0047619 k( 29) = ( 0.4516129 -0.2607388 0.3687404), wk = 0.0047619 k( 30) = ( 0.4677419 -0.2700509 0.3819097), wk = 0.0047619 k( 31) = ( 0.4838710 -0.2793630 0.3950790), wk = 0.0047619 k( 32) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 k( 33) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 k( 34) = ( 0.5000000 -0.2706329 0.4210060), wk = 0.0047619 k( 35) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0047619 k( 36) = ( 0.5000000 -0.2345485 0.4465216), wk = 0.0047619 k( 37) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0047619 k( 38) = ( 0.5000000 -0.1984642 0.4720371), wk = 0.0047619 k( 39) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0047619 k( 40) = ( 0.5000000 -0.1623798 0.4975526), wk = 0.0047619 k( 41) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0047619 k( 42) = ( 0.5000000 -0.1262954 0.5230681), wk = 0.0047619 k( 43) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0047619 k( 44) = ( 0.5000000 -0.0902110 0.5485836), wk = 0.0047619 k( 45) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0047619 k( 46) = ( 0.5000000 -0.0541266 0.5740992), wk = 0.0047619 k( 47) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0047619 k( 48) = ( 0.5000000 -0.0180422 0.5996147), wk = 0.0047619 k( 49) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 50) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 51) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0047619 k( 52) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0047619 k( 53) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0047619 k( 54) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0047619 k( 55) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0047619 k( 56) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0047619 k( 57) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0047619 k( 58) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0047619 k( 59) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0047619 k( 60) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0047619 k( 61) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 62) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 63) = ( 0.3636364 0.2099456 0.5938157), wk = 0.0047619 k( 64) = ( 0.3522727 0.2033848 0.5752589), wk = 0.0047619 k( 65) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0047619 k( 66) = ( 0.3295455 0.1902632 0.5381455), wk = 0.0047619 k( 67) = ( 0.3181818 0.1837024 0.5195887), wk = 0.0047619 k( 68) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0047619 k( 69) = ( 0.2954545 0.1705808 0.4824752), wk = 0.0047619 k( 70) = ( 0.2840909 0.1640200 0.4639185), wk = 0.0047619 k( 71) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0047619 k( 72) = ( 0.2613636 0.1508984 0.4268050), wk = 0.0047619 k( 73) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0047619 k( 74) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0047619 k( 75) = ( 0.2272727 0.1312160 0.3711348), wk = 0.0047619 k( 76) = ( 0.2159091 0.1246552 0.3525781), wk = 0.0047619 k( 77) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0047619 k( 78) = ( 0.1931818 0.1115336 0.3154646), wk = 0.0047619 k( 79) = ( 0.1818182 0.1049728 0.2969078), wk = 0.0047619 k( 80) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0047619 k( 81) = ( 0.1590909 0.0918512 0.2597944), wk = 0.0047619 k( 82) = ( 0.1477273 0.0852904 0.2412376), wk = 0.0047619 k( 83) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0047619 k( 84) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0047619 k( 85) = ( 0.1136364 0.0656080 0.1855674), wk = 0.0047619 k( 86) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0047619 k( 87) = ( 0.0909091 0.0524864 0.1484539), wk = 0.0047619 k( 88) = ( 0.0795455 0.0459256 0.1298972), wk = 0.0047619 k( 89) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0047619 k( 90) = ( 0.0568182 0.0328040 0.0927837), wk = 0.0047619 k( 91) = ( 0.0454546 0.0262432 0.0742270), wk = 0.0047619 k( 92) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0047619 k( 93) = ( 0.0227273 0.0131216 0.0371135), wk = 0.0047619 k( 94) = ( 0.0113636 0.0065608 0.0185567), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0106917 0.0075602), wk = 0.0047619 k( 98) = ( 0.0370370 0.0213833 0.0151203), wk = 0.0047619 k( 99) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0047619 k( 100) = ( 0.0740741 0.0427667 0.0302406), wk = 0.0047619 k( 101) = ( 0.0925926 0.0534584 0.0378008), wk = 0.0047619 k( 102) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0047619 k( 103) = ( 0.1296296 0.0748417 0.0529211), wk = 0.0047619 k( 104) = ( 0.1481482 0.0855334 0.0604812), wk = 0.0047619 k( 105) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0047619 k( 106) = ( 0.1851852 0.1069167 0.0756015), wk = 0.0047619 k( 107) = ( 0.2037037 0.1176084 0.0831617), wk = 0.0047619 k( 108) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0047619 k( 109) = ( 0.2407407 0.1389917 0.0982820), wk = 0.0047619 k( 110) = ( 0.2592593 0.1496834 0.1058421), wk = 0.0047619 k( 111) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0047619 k( 112) = ( 0.2962963 0.1710667 0.1209625), wk = 0.0047619 k( 113) = ( 0.3148148 0.1817584 0.1285226), wk = 0.0047619 k( 114) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0047619 k( 115) = ( 0.3518519 0.2031418 0.1436429), wk = 0.0047619 k( 116) = ( 0.3703704 0.2138334 0.1512031), wk = 0.0047619 k( 117) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0047619 k( 118) = ( 0.4074074 0.2352168 0.1663234), wk = 0.0047619 k( 119) = ( 0.4259259 0.2459085 0.1738835), wk = 0.0047619 k( 120) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0047619 k( 121) = ( 0.4629630 0.2672918 0.1890038), wk = 0.0047619 k( 122) = ( 0.4814815 0.2779835 0.1965640), wk = 0.0047619 k( 123) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 124) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 125) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0047619 k( 126) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0047619 k( 127) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0047619 k( 128) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0047619 k( 129) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0047619 k( 130) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0047619 k( 131) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0047619 k( 132) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0047619 k( 133) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0047619 k( 134) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0047619 k( 135) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0047619 k( 136) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0047619 k( 137) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0047619 k( 138) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0047619 k( 139) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0047619 k( 140) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0047619 k( 141) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0047619 k( 142) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0047619 k( 143) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 144) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 145) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0047619 k( 146) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0047619 k( 147) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0047619 k( 148) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0047619 k( 149) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0047619 k( 150) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0047619 k( 151) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0047619 k( 152) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0047619 k( 153) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0047619 k( 154) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0047619 k( 155) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 156) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 157) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0047619 k( 158) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0047619 k( 159) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0047619 k( 160) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0047619 k( 161) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0047619 k( 162) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0047619 k( 163) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0047619 k( 164) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0047619 k( 165) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0047619 k( 166) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0047619 k( 167) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0047619 k( 168) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0047619 k( 169) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0047619 k( 170) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0047619 k( 171) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0047619 k( 172) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0047619 k( 173) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0047619 k( 174) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0047619 k( 175) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0047619 k( 176) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0047619 k( 177) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0047619 k( 178) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 179) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 180) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0047619 k( 181) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0047619 k( 182) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0047619 k( 183) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0047619 k( 184) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0047619 k( 185) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0047619 k( 186) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0047619 k( 187) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0047619 k( 188) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0047619 k( 189) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0047619 k( 190) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0047619 k( 191) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0047619 k( 192) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0047619 k( 193) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0047619 k( 194) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0047619 k( 195) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0047619 k( 196) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0047619 k( 197) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0047619 k( 198) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 199) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 200) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0047619 k( 201) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0047619 k( 202) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0047619 k( 203) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0047619 k( 204) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0047619 k( 205) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0047619 k( 206) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0047619 k( 207) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0047619 k( 208) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0047619 k( 209) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0047619 k( 210) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0047619 k( 3) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0047619 k( 4) = ( 0.0483871 -0.0000000 0.0483871), wk = 0.0047619 k( 5) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0047619 k( 6) = ( 0.0806452 -0.0000000 0.0806452), wk = 0.0047619 k( 7) = ( 0.0967742 -0.0000000 0.0967742), wk = 0.0047619 k( 8) = ( 0.1129032 -0.0000000 0.1129032), wk = 0.0047619 k( 9) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0047619 k( 10) = ( 0.1451613 -0.0000000 0.1451613), wk = 0.0047619 k( 11) = ( 0.1612903 -0.0000000 0.1612903), wk = 0.0047619 k( 12) = ( 0.1774194 -0.0000000 0.1774194), wk = 0.0047619 k( 13) = ( 0.1935484 -0.0000000 0.1935484), wk = 0.0047619 k( 14) = ( 0.2096774 -0.0000000 0.2096774), wk = 0.0047619 k( 15) = ( 0.2258064 0.0000000 0.2258065), wk = 0.0047619 k( 16) = ( 0.2419355 -0.0000000 0.2419355), wk = 0.0047619 k( 17) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0047619 k( 18) = ( 0.2741936 0.0000000 0.2741936), wk = 0.0047619 k( 19) = ( 0.2903226 -0.0000000 0.2903226), wk = 0.0047619 k( 20) = ( 0.3064516 -0.0000000 0.3064516), wk = 0.0047619 k( 21) = ( 0.3225807 0.0000000 0.3225807), wk = 0.0047619 k( 22) = ( 0.3387097 -0.0000000 0.3387097), wk = 0.0047619 k( 23) = ( 0.3548387 -0.0000000 0.3548387), wk = 0.0047619 k( 24) = ( 0.3709677 -0.0000000 0.3709677), wk = 0.0047619 k( 25) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0047619 k( 26) = ( 0.4032258 -0.0000000 0.4032258), wk = 0.0047619 k( 27) = ( 0.4193548 -0.0000000 0.4193548), wk = 0.0047619 k( 28) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0047619 k( 29) = ( 0.4516129 0.0000000 0.4516129), wk = 0.0047619 k( 30) = ( 0.4677419 -0.0000000 0.4677419), wk = 0.0047619 k( 31) = ( 0.4838710 -0.0000000 0.4838710), wk = 0.0047619 k( 32) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 33) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 34) = ( 0.5000000 0.0156250 0.5156250), wk = 0.0047619 k( 35) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0047619 k( 36) = ( 0.5000000 0.0468750 0.5468750), wk = 0.0047619 k( 37) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0047619 k( 38) = ( 0.5000000 0.0781250 0.5781250), wk = 0.0047619 k( 39) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0047619 k( 40) = ( 0.5000000 0.1093750 0.6093750), wk = 0.0047619 k( 41) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0047619 k( 42) = ( 0.5000000 0.1406250 0.6406250), wk = 0.0047619 k( 43) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0047619 k( 44) = ( 0.5000000 0.1718750 0.6718750), wk = 0.0047619 k( 45) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0047619 k( 46) = ( 0.5000000 0.2031250 0.7031250), wk = 0.0047619 k( 47) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0047619 k( 48) = ( 0.5000000 0.2343750 0.7343750), wk = 0.0047619 k( 49) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 50) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 51) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0047619 k( 52) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0047619 k( 53) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0047619 k( 54) = ( 0.4545455 0.2954546 0.7500000), wk = 0.0047619 k( 55) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0047619 k( 56) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0047619 k( 57) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0047619 k( 58) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0047619 k( 59) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0047619 k( 60) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0047619 k( 61) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 62) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 63) = ( 0.3636364 0.3636364 0.7272727), wk = 0.0047619 k( 64) = ( 0.3522727 0.3522727 0.7045455), wk = 0.0047619 k( 65) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0047619 k( 66) = ( 0.3295455 0.3295455 0.6590909), wk = 0.0047619 k( 67) = ( 0.3181818 0.3181818 0.6363636), wk = 0.0047619 k( 68) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0047619 k( 69) = ( 0.2954545 0.2954546 0.5909091), wk = 0.0047619 k( 70) = ( 0.2840909 0.2840909 0.5681818), wk = 0.0047619 k( 71) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0047619 k( 72) = ( 0.2613636 0.2613636 0.5227273), wk = 0.0047619 k( 73) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0047619 k( 74) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0047619 k( 75) = ( 0.2272727 0.2272727 0.4545455), wk = 0.0047619 k( 76) = ( 0.2159091 0.2159091 0.4318182), wk = 0.0047619 k( 77) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0047619 k( 78) = ( 0.1931818 0.1931818 0.3863636), wk = 0.0047619 k( 79) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0047619 k( 80) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0047619 k( 81) = ( 0.1590909 0.1590909 0.3181818), wk = 0.0047619 k( 82) = ( 0.1477273 0.1477273 0.2954545), wk = 0.0047619 k( 83) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0047619 k( 84) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0047619 k( 85) = ( 0.1136364 0.1136364 0.2272727), wk = 0.0047619 k( 86) = ( 0.1022727 0.1022727 0.2045455), wk = 0.0047619 k( 87) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0047619 k( 88) = ( 0.0795455 0.0795455 0.1590909), wk = 0.0047619 k( 89) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0047619 k( 90) = ( 0.0568182 0.0568182 0.1136364), wk = 0.0047619 k( 91) = ( 0.0454546 0.0454546 0.0909091), wk = 0.0047619 k( 92) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0047619 k( 93) = ( 0.0227273 0.0227273 0.0454546), wk = 0.0047619 k( 94) = ( 0.0113636 0.0113636 0.0227273), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0047619 k( 98) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0047619 k( 99) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0047619 k( 100) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0047619 k( 101) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0047619 k( 102) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0047619 k( 103) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0047619 k( 104) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0047619 k( 105) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0047619 k( 106) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0047619 k( 107) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0047619 k( 108) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0047619 k( 109) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0047619 k( 110) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0047619 k( 111) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0047619 k( 112) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0047619 k( 113) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0047619 k( 114) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 115) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0047619 k( 116) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0047619 k( 117) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0047619 k( 118) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0047619 k( 119) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0047619 k( 120) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0047619 k( 121) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0047619 k( 122) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0047619 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 125) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0047619 k( 126) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0047619 k( 127) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0047619 k( 128) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0047619 k( 129) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0047619 k( 130) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0047619 k( 131) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0047619 k( 132) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0047619 k( 133) = ( 0.5592105 0.3815790 0.5592105), wk = 0.0047619 k( 134) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0047619 k( 135) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0047619 k( 136) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0047619 k( 137) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0047619 k( 138) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0047619 k( 139) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0047619 k( 140) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0047619 k( 141) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0047619 k( 142) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0047619 k( 143) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 144) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 145) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0047619 k( 146) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0047619 k( 147) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0047619 k( 148) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0047619 k( 149) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0047619 k( 150) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0047619 k( 151) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0047619 k( 152) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0047619 k( 153) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0047619 k( 154) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0047619 k( 155) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 156) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 157) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0047619 k( 158) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0047619 k( 159) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0047619 k( 160) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0047619 k( 161) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0047619 k( 162) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0047619 k( 163) = ( 0.5000000 0.3295455 0.6704545), wk = 0.0047619 k( 164) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0047619 k( 165) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0047619 k( 166) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0047619 k( 167) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0047619 k( 168) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0047619 k( 169) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0047619 k( 170) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0047619 k( 171) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0047619 k( 172) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0047619 k( 173) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0047619 k( 174) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0047619 k( 175) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0047619 k( 176) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0047619 k( 177) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0047619 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 180) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0047619 k( 181) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0047619 k( 182) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0047619 k( 183) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0047619 k( 184) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0047619 k( 185) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0047619 k( 186) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0047619 k( 187) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0047619 k( 188) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0047619 k( 189) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0047619 k( 190) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0047619 k( 191) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0047619 k( 192) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0047619 k( 193) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0047619 k( 194) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0047619 k( 195) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0047619 k( 196) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0047619 k( 197) = ( 0.3815789 0.3815790 0.7368421), wk = 0.0047619 k( 198) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 199) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 200) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0047619 k( 201) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0047619 k( 202) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0047619 k( 203) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0047619 k( 204) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0047619 k( 205) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0047619 k( 206) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0047619 k( 207) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0047619 k( 208) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0047619 k( 209) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0047619 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 Dense grid: 170775 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 76753 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 270, 80) NL pseudopotentials 0.55 Mb ( 135, 266) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2374) G-vector shells 0.01 Mb ( 803) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.32 Mb ( 270, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 0.65 Mb ( 266, 2, 80) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./PbxNCl3x2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.7 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 14.2 secs Computing kpt #: 9 total cpu time spent up to now is 17.1 secs Computing kpt #: 10 total cpu time spent up to now is 19.4 secs Computing kpt #: 11 total cpu time spent up to now is 21.1 secs Computing kpt #: 12 total cpu time spent up to now is 22.8 secs Computing kpt #: 13 total cpu time spent up to now is 24.3 secs Computing kpt #: 14 total cpu time spent up to now is 25.9 secs Computing kpt #: 15 total cpu time spent up to now is 27.4 secs Computing kpt #: 16 total cpu time spent up to now is 29.0 secs Computing kpt #: 17 total cpu time spent up to now is 30.6 secs Computing kpt #: 18 total cpu time spent up to now is 32.7 secs Computing kpt #: 19 total cpu time spent up to now is 35.2 secs Computing kpt #: 20 total cpu time spent up to now is 37.8 secs Computing kpt #: 21 total cpu time spent up to now is 39.8 secs Computing kpt #: 22 total cpu time spent up to now is 41.4 secs Computing kpt #: 23 total cpu time spent up to now is 42.9 secs Computing kpt #: 24 total cpu time spent up to now is 44.4 secs Computing kpt #: 25 total cpu time spent up to now is 45.9 secs Computing kpt #: 26 total cpu time spent up to now is 47.4 secs Computing kpt #: 27 total cpu time spent up to now is 48.7 secs Computing kpt #: 28 total cpu time spent up to now is 50.2 secs Computing kpt #: 29 total cpu time spent up to now is 51.4 secs Computing kpt #: 30 total cpu time spent up to now is 52.8 secs Computing kpt #: 31 total cpu time spent up to now is 54.2 secs Computing kpt #: 32 total cpu time spent up to now is 55.5 secs Computing kpt #: 33 total cpu time spent up to now is 56.8 secs Computing kpt #: 34 total cpu time spent up to now is 58.1 secs Computing kpt #: 35 total cpu time spent up to now is 59.3 secs Computing kpt #: 36 total cpu time spent up to now is 60.7 secs Computing kpt #: 37 total cpu time spent up to now is 62.2 secs Computing kpt #: 38 total cpu time spent up to now is 63.4 secs Computing kpt #: 39 total cpu time spent up to now is 64.6 secs Computing kpt #: 40 total cpu time spent up to now is 66.0 secs Computing kpt #: 41 total cpu time spent up to now is 67.3 secs Computing kpt #: 42 total cpu time spent up to now is 68.9 secs Computing kpt #: 43 total cpu time spent up to now is 70.4 secs Computing kpt #: 44 total cpu time spent up to now is 71.6 secs Computing kpt #: 45 total cpu time spent up to now is 73.3 secs Computing kpt #: 46 total cpu time spent up to now is 74.9 secs Computing kpt #: 47 total cpu time spent up to now is 76.5 secs Computing kpt #: 48 total cpu time spent up to now is 77.8 secs Computing kpt #: 49 total cpu time spent up to now is 79.3 secs Computing kpt #: 50 total cpu time spent up to now is 80.7 secs Computing kpt #: 51 total cpu time spent up to now is 82.4 secs Computing kpt #: 52 total cpu time spent up to now is 83.8 secs Computing kpt #: 53 total cpu time spent up to now is 85.2 secs Computing kpt #: 54 total cpu time spent up to now is 86.7 secs Computing kpt #: 55 total cpu time spent up to now is 88.1 secs Computing kpt #: 56 total cpu time spent up to now is 89.6 secs Computing kpt #: 57 total cpu time spent up to now is 91.0 secs Computing kpt #: 58 total cpu time spent up to now is 92.4 secs Computing kpt #: 59 total cpu time spent up to now is 93.8 secs Computing kpt #: 60 total cpu time spent up to now is 95.1 secs Computing kpt #: 61 total cpu time spent up to now is 96.6 secs Computing kpt #: 62 total cpu time spent up to now is 98.2 secs Computing kpt #: 63 total cpu time spent up to now is 99.6 secs Computing kpt #: 64 total cpu time spent up to now is 100.8 secs Computing kpt #: 65 total cpu time spent up to now is 102.3 secs Computing kpt #: 66 total cpu time spent up to now is 104.5 secs Computing kpt #: 67 total cpu time spent up to now is 105.9 secs Computing kpt #: 68 total cpu time spent up to now is 107.3 secs Computing kpt #: 69 total cpu time spent up to now is 108.5 secs Computing kpt #: 70 total cpu time spent up to now is 109.7 secs Computing kpt #: 71 total cpu time spent up to now is 111.1 secs Computing kpt #: 72 total cpu time spent up to now is 112.4 secs Computing kpt #: 73 total cpu time spent up to now is 113.7 secs Computing kpt #: 74 total cpu time spent up to now is 114.9 secs Computing kpt #: 75 total cpu time spent up to now is 116.1 secs Computing kpt #: 76 total cpu time spent up to now is 117.2 secs Computing kpt #: 77 total cpu time spent up to now is 118.4 secs Computing kpt #: 78 total cpu time spent up to now is 119.7 secs Computing kpt #: 79 total cpu time spent up to now is 121.0 secs Computing kpt #: 80 total cpu time spent up to now is 122.2 secs Computing kpt #: 81 total cpu time spent up to now is 123.4 secs Computing kpt #: 82 total cpu time spent up to now is 124.7 secs Computing kpt #: 83 total cpu time spent up to now is 126.0 secs Computing kpt #: 84 total cpu time spent up to now is 127.7 secs Computing kpt #: 85 total cpu time spent up to now is 130.0 secs Computing kpt #: 86 total cpu time spent up to now is 132.2 secs Computing kpt #: 87 total cpu time spent up to now is 133.8 secs Computing kpt #: 88 total cpu time spent up to now is 135.3 secs Computing kpt #: 89 total cpu time spent up to now is 136.8 secs Computing kpt #: 90 total cpu time spent up to now is 138.3 secs Computing kpt #: 91 total cpu time spent up to now is 140.0 secs Computing kpt #: 92 total cpu time spent up to now is 141.5 secs Computing kpt #: 93 total cpu time spent up to now is 143.2 secs Computing kpt #: 94 total cpu time spent up to now is 146.5 secs Computing kpt #: 95 total cpu time spent up to now is 147.7 secs Computing kpt #: 96 total cpu time spent up to now is 149.1 secs Computing kpt #: 97 total cpu time spent up to now is 153.0 secs Computing kpt #: 98 total cpu time spent up to now is 154.5 secs Computing kpt #: 99 total cpu time spent up to now is 156.1 secs Computing kpt #: 100 total cpu time spent up to now is 157.7 secs Computing kpt #: 101 total cpu time spent up to now is 159.4 secs Computing kpt #: 102 total cpu time spent up to now is 160.8 secs Computing kpt #: 103 total cpu time spent up to now is 162.4 secs Computing kpt #: 104 total cpu time spent up to now is 163.9 secs Computing kpt #: 105 total cpu time spent up to now is 165.4 secs Computing kpt #: 106 total cpu time spent up to now is 166.8 secs Computing kpt #: 107 total cpu time spent up to now is 168.3 secs Computing kpt #: 108 total cpu time spent up to now is 169.6 secs Computing kpt #: 109 total cpu time spent up to now is 171.0 secs Computing kpt #: 110 total cpu time spent up to now is 172.4 secs Computing kpt #: 111 total cpu time spent up to now is 173.8 secs Computing kpt #: 112 total cpu time spent up to now is 175.1 secs Computing kpt #: 113 total cpu time spent up to now is 177.2 secs Computing kpt #: 114 total cpu time spent up to now is 179.3 secs Computing kpt #: 115 total cpu time spent up to now is 181.1 secs Computing kpt #: 116 total cpu time spent up to now is 183.0 secs Computing kpt #: 117 total cpu time spent up to now is 184.9 secs Computing kpt #: 118 total cpu time spent up to now is 186.3 secs Computing kpt #: 119 total cpu time spent up to now is 187.5 secs Computing kpt #: 120 total cpu time spent up to now is 188.8 secs Computing kpt #: 121 total cpu time spent up to now is 190.1 secs Computing kpt #: 122 total cpu time spent up to now is 191.3 secs Computing kpt #: 123 total cpu time spent up to now is 192.6 secs Computing kpt #: 124 total cpu time spent up to now is 193.8 secs Computing kpt #: 125 total cpu time spent up to now is 195.0 secs Computing kpt #: 126 total cpu time spent up to now is 196.2 secs Computing kpt #: 127 total cpu time spent up to now is 197.4 secs Computing kpt #: 128 total cpu time spent up to now is 198.8 secs Computing kpt #: 129 total cpu time spent up to now is 200.0 secs Computing kpt #: 130 total cpu time spent up to now is 201.2 secs Computing kpt #: 131 total cpu time spent up to now is 202.4 secs Computing kpt #: 132 total cpu time spent up to now is 203.7 secs Computing kpt #: 133 total cpu time spent up to now is 205.0 secs Computing kpt #: 134 total cpu time spent up to now is 206.2 secs Computing kpt #: 135 total cpu time spent up to now is 207.5 secs Computing kpt #: 136 total cpu time spent up to now is 208.7 secs Computing kpt #: 137 total cpu time spent up to now is 210.0 secs Computing kpt #: 138 total cpu time spent up to now is 211.3 secs Computing kpt #: 139 total cpu time spent up to now is 212.6 secs Computing kpt #: 140 total cpu time spent up to now is 213.9 secs Computing kpt #: 141 total cpu time spent up to now is 215.4 secs Computing kpt #: 142 total cpu time spent up to now is 216.7 secs Computing kpt #: 143 total cpu time spent up to now is 218.2 secs Computing kpt #: 144 total cpu time spent up to now is 219.6 secs Computing kpt #: 145 total cpu time spent up to now is 221.0 secs Computing kpt #: 146 total cpu time spent up to now is 222.5 secs Computing kpt #: 147 total cpu time spent up to now is 224.0 secs Computing kpt #: 148 total cpu time spent up to now is 226.9 secs Computing kpt #: 149 total cpu time spent up to now is 228.4 secs Computing kpt #: 150 total cpu time spent up to now is 229.9 secs Computing kpt #: 151 total cpu time spent up to now is 231.3 secs Computing kpt #: 152 total cpu time spent up to now is 232.7 secs Computing kpt #: 153 total cpu time spent up to now is 234.2 secs Computing kpt #: 154 total cpu time spent up to now is 235.7 secs Computing kpt #: 155 total cpu time spent up to now is 237.2 secs Computing kpt #: 156 total cpu time spent up to now is 238.7 secs Computing kpt #: 157 total cpu time spent up to now is 241.2 secs Computing kpt #: 158 total cpu time spent up to now is 243.4 secs Computing kpt #: 159 total cpu time spent up to now is 246.0 secs Computing kpt #: 160 total cpu time spent up to now is 247.8 secs Computing kpt #: 161 total cpu time spent up to now is 249.1 secs Computing kpt #: 162 total cpu time spent up to now is 250.4 secs Computing kpt #: 163 total cpu time spent up to now is 251.6 secs Computing kpt #: 164 total cpu time spent up to now is 252.9 secs Computing kpt #: 165 total cpu time spent up to now is 254.2 secs Computing kpt #: 166 total cpu time spent up to now is 255.5 secs Computing kpt #: 167 total cpu time spent up to now is 256.8 secs Computing kpt #: 168 total cpu time spent up to now is 258.5 secs Computing kpt #: 169 total cpu time spent up to now is 260.4 secs Computing kpt #: 170 total cpu time spent up to now is 261.7 secs Computing kpt #: 171 total cpu time spent up to now is 263.1 secs Computing kpt #: 172 total cpu time spent up to now is 264.3 secs Computing kpt #: 173 total cpu time spent up to now is 265.5 secs Computing kpt #: 174 total cpu time spent up to now is 266.8 secs Computing kpt #: 175 total cpu time spent up to now is 268.2 secs Computing kpt #: 176 total cpu time spent up to now is 269.4 secs Computing kpt #: 177 total cpu time spent up to now is 270.6 secs Computing kpt #: 178 total cpu time spent up to now is 271.8 secs Computing kpt #: 179 total cpu time spent up to now is 273.0 secs Computing kpt #: 180 total cpu time spent up to now is 274.3 secs Computing kpt #: 181 total cpu time spent up to now is 275.5 secs Computing kpt #: 182 total cpu time spent up to now is 276.7 secs Computing kpt #: 183 total cpu time spent up to now is 277.9 secs Computing kpt #: 184 total cpu time spent up to now is 279.2 secs Computing kpt #: 185 total cpu time spent up to now is 280.5 secs Computing kpt #: 186 total cpu time spent up to now is 281.8 secs Computing kpt #: 187 total cpu time spent up to now is 283.1 secs Computing kpt #: 188 total cpu time spent up to now is 284.4 secs Computing kpt #: 189 total cpu time spent up to now is 285.6 secs Computing kpt #: 190 total cpu time spent up to now is 286.8 secs Computing kpt #: 191 total cpu time spent up to now is 288.1 secs Computing kpt #: 192 total cpu time spent up to now is 289.4 secs Computing kpt #: 193 total cpu time spent up to now is 290.6 secs Computing kpt #: 194 total cpu time spent up to now is 292.0 secs Computing kpt #: 195 total cpu time spent up to now is 293.4 secs Computing kpt #: 196 total cpu time spent up to now is 294.8 secs Computing kpt #: 197 total cpu time spent up to now is 296.1 secs Computing kpt #: 198 total cpu time spent up to now is 297.3 secs Computing kpt #: 199 total cpu time spent up to now is 298.7 secs Computing kpt #: 200 total cpu time spent up to now is 300.1 secs Computing kpt #: 201 total cpu time spent up to now is 301.7 secs Computing kpt #: 202 total cpu time spent up to now is 303.1 secs Computing kpt #: 203 total cpu time spent up to now is 304.6 secs Computing kpt #: 204 total cpu time spent up to now is 306.0 secs Computing kpt #: 205 total cpu time spent up to now is 307.4 secs Computing kpt #: 206 total cpu time spent up to now is 308.6 secs Computing kpt #: 207 total cpu time spent up to now is 310.1 secs Computing kpt #: 208 total cpu time spent up to now is 311.3 secs Computing kpt #: 209 total cpu time spent up to now is 312.7 secs Computing kpt #: 210 total cpu time spent up to now is 315.1 secs ethr = 1.52E-08, avg # of iterations = 21.9 total cpu time spent up to now is 315.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7592 -14.7592 -14.7592 -14.7592 -14.3574 -14.3574 -13.9467 -13.9467 -13.1669 -13.1669 -13.1258 -13.1258 -13.1258 -13.1258 -12.3628 -12.3628 -12.3628 -12.3628 -11.6514 -11.6514 -11.6320 -11.6320 -6.9430 -6.9430 -3.2079 -3.2079 -2.8514 -2.8514 -2.8514 -2.8514 -1.9449 -1.9449 -1.9449 -1.9449 -1.8899 -1.8899 -0.8196 -0.8196 -0.6776 -0.6776 -0.6776 -0.6776 -0.6058 -0.6058 -0.6058 -0.6058 -0.5437 -0.5437 -0.4424 -0.4424 -0.4424 -0.4424 -0.0138 -0.0138 0.0591 0.0591 0.0591 0.0591 0.2466 0.2466 0.2524 0.2524 0.2524 0.2524 0.2556 0.2556 0.3104 0.3104 0.3104 0.3104 1.1766 1.1766 5.6155 5.6155 7.0588 7.0588 k = 0.0161-0.0093 0.0132 ( 9573 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7592 -14.7592 -14.7592 -14.7592 -14.3574 -14.3574 -13.9464 -13.9464 -13.1669 -13.1669 -13.1259 -13.1259 -13.1259 -13.1259 -12.3633 -12.3633 -12.3628 -12.3628 -11.6515 -11.6515 -11.6320 -11.6320 -6.9422 -6.9422 -3.2075 -3.2075 -2.8509 -2.8509 -2.8507 -2.8507 -1.9441 -1.9441 -1.9439 -1.9439 -1.8890 -1.8890 -0.8204 -0.8204 -0.6793 -0.6793 -0.6779 -0.6779 -0.6062 -0.6062 -0.6061 -0.6061 -0.5440 -0.5440 -0.4441 -0.4441 -0.4424 -0.4424 -0.0147 -0.0147 0.0577 0.0577 0.0587 0.0587 0.2461 0.2461 0.2518 0.2518 0.2520 0.2520 0.2550 0.2550 0.3091 0.3091 0.3101 0.3101 1.1804 1.1804 5.6167 5.6167 7.0603 7.0603 k = 0.0323-0.0186 0.0263 ( 9541 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7594 -14.7594 -14.7592 -14.7592 -14.3574 -14.3574 -13.9453 -13.9453 -13.1670 -13.1670 -13.1259 -13.1259 -13.1259 -13.1259 -12.3648 -12.3648 -12.3627 -12.3627 -11.6515 -11.6515 -11.6321 -11.6321 -6.9400 -6.9400 -3.2060 -3.2060 -2.8494 -2.8494 -2.8488 -2.8488 -1.9419 -1.9419 -1.9407 -1.9407 -1.8863 -1.8863 -0.8229 -0.8229 -0.6841 -0.6841 -0.6786 -0.6786 -0.6072 -0.6072 -0.6069 -0.6069 -0.5449 -0.5449 -0.4491 -0.4491 -0.4425 -0.4425 -0.0174 -0.0174 0.0536 0.0536 0.0575 0.0575 0.2445 0.2445 0.2503 0.2503 0.2508 0.2508 0.2531 0.2531 0.3054 0.3054 0.3090 0.3090 1.1916 1.1916 5.6206 5.6206 7.0648 7.0648 k = 0.0484-0.0279 0.0395 ( 9537 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7596 -14.7596 -14.7592 -14.7592 -14.3574 -14.3574 -13.9434 -13.9434 -13.1671 -13.1671 -13.1261 -13.1261 -13.1260 -13.1260 -12.3674 -12.3674 -12.3627 -12.3627 -11.6516 -11.6516 -11.6323 -11.6323 -6.9363 -6.9363 -3.2036 -3.2036 -2.8470 -2.8470 -2.8457 -2.8457 -1.9382 -1.9382 -1.9355 -1.9355 -1.8818 -1.8818 -0.8272 -0.8272 -0.6918 -0.6918 -0.6800 -0.6800 -0.6088 -0.6088 -0.6083 -0.6083 -0.5464 -0.5464 -0.4575 -0.4575 -0.4426 -0.4426 -0.0221 -0.0221 0.0468 0.0468 0.0557 0.0557 0.2411 0.2411 0.2479 0.2479 0.2484 0.2484 0.2506 0.2506 0.2995 0.2995 0.3073 0.3073 1.2099 1.2099 5.6269 5.6269 7.0723 7.0723 k = 0.0645-0.0372 0.0527 ( 9549 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7598 -14.7598 -14.7592 -14.7592 -14.3574 -14.3574 -13.9409 -13.9409 -13.1672 -13.1672 -13.1263 -13.1263 -13.1262 -13.1262 -12.3709 -12.3709 -12.3626 -12.3626 -11.6517 -11.6517 -11.6326 -11.6326 -6.9311 -6.9311 -3.2003 -3.2003 -2.8437 -2.8437 -2.8412 -2.8412 -1.9331 -1.9331 -1.9283 -1.9283 -1.8754 -1.8754 -0.8337 -0.8337 -0.7019 -0.7019 -0.6821 -0.6821 -0.6108 -0.6108 -0.6100 -0.6100 -0.5483 -0.5483 -0.4693 -0.4693 -0.4428 -0.4428 -0.0289 -0.0289 0.0373 0.0373 0.0535 0.0535 0.2357 0.2357 0.2425 0.2425 0.2465 0.2465 0.2482 0.2482 0.2922 0.2922 0.3048 0.3048 1.2349 1.2349 5.6357 5.6357 7.0827 7.0828 k = 0.0806-0.0466 0.0658 ( 9569 PWs) bands (ev): -17.0575 -17.0575 -17.0574 -17.0574 -14.7602 -14.7602 -14.7592 -14.7592 -14.3574 -14.3574 -13.9377 -13.9377 -13.1674 -13.1674 -13.1265 -13.1265 -13.1264 -13.1264 -12.3754 -12.3754 -12.3625 -12.3625 -11.6519 -11.6519 -11.6329 -11.6329 -6.9245 -6.9245 -3.1961 -3.1961 -2.8394 -2.8394 -2.8355 -2.8355 -1.9267 -1.9267 -1.9190 -1.9190 -1.8672 -1.8672 -0.8429 -0.8429 -0.7139 -0.7139 -0.6851 -0.6851 -0.6130 -0.6130 -0.6121 -0.6121 -0.5505 -0.5505 -0.4843 -0.4843 -0.4430 -0.4430 -0.0383 -0.0383 0.0250 0.0250 0.0511 0.0511 0.2284 0.2284 0.2343 0.2343 0.2446 0.2446 0.2456 0.2456 0.2842 0.2842 0.3017 0.3017 1.2659 1.2659 5.6468 5.6468 7.0958 7.0960 k = 0.0968-0.0559 0.0790 ( 9569 PWs) bands (ev): -17.0575 -17.0575 -17.0574 -17.0574 -14.7607 -14.7607 -14.7591 -14.7591 -14.3574 -14.3574 -13.9337 -13.9337 -13.1677 -13.1677 -13.1268 -13.1268 -13.1266 -13.1266 -12.3808 -12.3808 -12.3624 -12.3624 -11.6521 -11.6521 -11.6332 -11.6332 -6.9166 -6.9166 -3.1909 -3.1909 -2.8343 -2.8343 -2.8286 -2.8286 -1.9191 -1.9191 -1.9077 -1.9077 -1.8570 -1.8570 -0.8550 -0.8550 -0.7271 -0.7271 -0.6894 -0.6894 -0.6151 -0.6151 -0.6143 -0.6143 -0.5528 -0.5528 -0.5027 -0.5027 -0.4433 -0.4433 -0.0502 -0.0502 0.0100 0.0100 0.0487 0.0487 0.2195 0.2195 0.2234 0.2234 0.2427 0.2427 0.2427 0.2427 0.2761 0.2761 0.2979 0.2979 1.3022 1.3022 5.6603 5.6603 7.1121 7.1123 k = 0.1129-0.0652 0.0922 ( 9557 PWs) bands (ev): -17.0576 -17.0576 -17.0573 -17.0573 -14.7612 -14.7612 -14.7591 -14.7591 -14.3574 -14.3574 -13.9291 -13.9291 -13.1679 -13.1679 -13.1272 -13.1272 -13.1269 -13.1269 -12.3871 -12.3871 -12.3623 -12.3623 -11.6523 -11.6523 -11.6337 -11.6337 -6.9073 -6.9073 -3.1849 -3.1849 -2.8283 -2.8283 -2.8205 -2.8205 -1.9104 -1.9104 -1.8944 -1.8944 -1.8448 -1.8448 -0.8704 -0.8704 -0.7409 -0.7409 -0.6950 -0.6950 -0.6170 -0.6170 -0.6168 -0.6168 -0.5548 -0.5548 -0.5241 -0.5241 -0.4436 -0.4436 -0.0650 -0.0650 -0.0077 -0.0077 0.0465 0.0465 0.2090 0.2090 0.2098 0.2098 0.2397 0.2397 0.2407 0.2407 0.2684 0.2684 0.2935 0.2935 1.3430 1.3430 5.6758 5.6758 7.1300 7.1300 k = 0.1290-0.0745 0.1054 ( 9565 PWs) bands (ev): -17.0576 -17.0576 -17.0573 -17.0573 -14.7618 -14.7618 -14.7591 -14.7591 -14.3574 -14.3574 -13.9238 -13.9238 -13.1683 -13.1683 -13.1277 -13.1277 -13.1272 -13.1272 -12.3943 -12.3943 -12.3621 -12.3621 -11.6525 -11.6525 -11.6341 -11.6341 -6.8969 -6.8969 -3.1781 -3.1781 -2.8215 -2.8215 -2.8111 -2.8111 -1.9006 -1.9006 -1.8791 -1.8791 -1.8307 -1.8307 -0.8892 -0.8892 -0.7549 -0.7549 -0.7021 -0.7021 -0.6195 -0.6195 -0.6185 -0.6185 -0.5564 -0.5564 -0.5485 -0.5485 -0.4440 -0.4440 -0.0825 -0.0825 -0.0279 -0.0279 0.0445 0.0445 0.1938 0.1938 0.1970 0.1970 0.2364 0.2364 0.2386 0.2386 0.2610 0.2610 0.2884 0.2884 1.3878 1.3878 5.6934 5.6934 7.1507 7.1507 k = 0.1452-0.0838 0.1185 ( 9565 PWs) bands (ev): -17.0577 -17.0577 -17.0573 -17.0573 -14.7624 -14.7624 -14.7591 -14.7591 -14.3574 -14.3574 -13.9180 -13.9180 -13.1687 -13.1687 -13.1282 -13.1282 -13.1275 -13.1275 -12.4022 -12.4022 -12.3619 -12.3619 -11.6528 -11.6528 -11.6346 -11.6346 -6.8854 -6.8854 -3.1705 -3.1705 -2.8139 -2.8139 -2.8006 -2.8006 -1.8899 -1.8899 -1.8619 -1.8619 -1.8146 -1.8146 -0.9112 -0.9112 -0.7691 -0.7691 -0.7108 -0.7108 -0.6225 -0.6225 -0.6195 -0.6195 -0.5754 -0.5754 -0.5573 -0.5573 -0.4445 -0.4445 -0.1028 -0.1028 -0.0507 -0.0507 0.0428 0.0428 0.1758 0.1758 0.1838 0.1838 0.2331 0.2331 0.2365 0.2365 0.2539 0.2539 0.2828 0.2828 1.4357 1.4357 5.7127 5.7127 7.1737 7.1737 k = 0.1613-0.0931 0.1317 ( 9557 PWs) bands (ev): -17.0577 -17.0577 -17.0573 -17.0573 -14.7631 -14.7631 -14.7591 -14.7591 -14.3573 -14.3573 -13.9115 -13.9115 -13.1691 -13.1691 -13.1287 -13.1287 -13.1279 -13.1279 -12.4107 -12.4107 -12.3618 -12.3618 -11.6531 -11.6531 -11.6352 -11.6352 -6.8729 -6.8729 -3.1622 -3.1622 -2.8055 -2.8055 -2.7889 -2.7889 -1.8784 -1.8784 -1.8428 -1.8428 -1.7965 -1.7965 -0.9361 -0.9361 -0.7834 -0.7834 -0.7210 -0.7210 -0.6260 -0.6260 -0.6209 -0.6209 -0.6037 -0.6037 -0.5573 -0.5573 -0.4450 -0.4450 -0.1257 -0.1257 -0.0758 -0.0758 0.0413 0.0413 0.1565 0.1565 0.1693 0.1693 0.2296 0.2296 0.2343 0.2343 0.2469 0.2469 0.2766 0.2766 1.4862 1.4862 5.7338 5.7338 7.1985 7.1985 k = 0.1774-0.1024 0.1449 ( 9565 PWs) bands (ev): -17.0578 -17.0578 -17.0573 -17.0573 -14.7639 -14.7639 -14.7590 -14.7590 -14.3573 -14.3573 -13.9046 -13.9046 -13.1696 -13.1696 -13.1294 -13.1294 -13.1283 -13.1283 -12.4200 -12.4200 -12.3616 -12.3616 -11.6534 -11.6534 -11.6357 -11.6357 -6.8595 -6.8595 -3.1533 -3.1533 -2.7966 -2.7966 -2.7761 -2.7761 -1.8661 -1.8661 -1.8220 -1.8220 -1.7765 -1.7765 -0.9634 -0.9634 -0.7980 -0.7980 -0.7327 -0.7327 -0.6393 -0.6393 -0.6300 -0.6300 -0.6165 -0.6165 -0.5562 -0.5562 -0.4455 -0.4455 -0.1512 -0.1512 -0.1033 -0.1033 0.0400 0.0400 0.1361 0.1361 0.1537 0.1537 0.2259 0.2259 0.2322 0.2322 0.2400 0.2400 0.2700 0.2700 1.5387 1.5387 5.7563 5.7563 7.2252 7.2252 k = 0.1935-0.1117 0.1580 ( 9577 PWs) bands (ev): -17.0579 -17.0579 -17.0573 -17.0573 -14.7647 -14.7647 -14.7590 -14.7590 -14.3573 -14.3573 -13.8971 -13.8971 -13.1701 -13.1701 -13.1301 -13.1301 -13.1287 -13.1287 -12.4297 -12.4297 -12.3614 -12.3614 -11.6537 -11.6537 -11.6363 -11.6363 -6.8453 -6.8453 -3.1437 -3.1437 -2.7870 -2.7870 -2.7622 -2.7622 -1.8532 -1.8532 -1.7993 -1.7993 -1.7546 -1.7546 -0.9926 -0.9926 -0.8132 -0.8132 -0.7456 -0.7456 -0.6720 -0.6720 -0.6345 -0.6345 -0.6158 -0.6158 -0.5540 -0.5540 -0.4461 -0.4461 -0.1789 -0.1789 -0.1328 -0.1328 0.0388 0.0388 0.1150 0.1150 0.1372 0.1372 0.2217 0.2217 0.2301 0.2301 0.2336 0.2336 0.2629 0.2629 1.5924 1.5924 5.7800 5.7800 7.2533 7.2533 k = 0.2097-0.1211 0.1712 ( 9585 PWs) bands (ev): -17.0580 -17.0580 -17.0573 -17.0573 -14.7655 -14.7655 -14.7590 -14.7590 -14.3573 -14.3573 -13.8892 -13.8892 -13.1707 -13.1707 -13.1309 -13.1309 -13.1291 -13.1291 -12.4399 -12.4399 -12.3612 -12.3612 -11.6540 -11.6540 -11.6369 -11.6369 -6.8306 -6.8306 -3.1337 -3.1337 -2.7770 -2.7770 -2.7473 -2.7473 -1.8398 -1.8398 -1.7750 -1.7750 -1.7308 -1.7308 -1.0232 -1.0232 -0.8290 -0.8290 -0.7596 -0.7596 -0.7067 -0.7067 -0.6396 -0.6396 -0.6136 -0.6136 -0.5509 -0.5509 -0.4469 -0.4469 -0.2088 -0.2088 -0.1642 -0.1642 0.0378 0.0378 0.0935 0.0935 0.1199 0.1199 0.2166 0.2166 0.2278 0.2278 0.2279 0.2279 0.2554 0.2554 1.6469 1.6469 5.8048 5.8048 7.2826 7.2826 k = 0.2258-0.1304 0.1844 ( 9569 PWs) bands (ev): -17.0580 -17.0580 -17.0573 -17.0573 -14.7664 -14.7664 -14.7590 -14.7590 -14.3573 -14.3573 -13.8809 -13.8809 -13.1713 -13.1713 -13.1317 -13.1317 -13.1295 -13.1295 -12.4505 -12.4505 -12.3609 -12.3609 -11.6544 -11.6544 -11.6375 -11.6375 -6.8153 -6.8153 -3.1232 -3.1232 -2.7665 -2.7665 -2.7314 -2.7314 -1.8259 -1.8259 -1.7490 -1.7490 -1.7053 -1.7053 -1.0550 -1.0550 -0.8455 -0.8455 -0.7745 -0.7745 -0.7423 -0.7423 -0.6451 -0.6451 -0.6106 -0.6106 -0.5469 -0.5469 -0.4477 -0.4477 -0.2406 -0.2406 -0.1974 -0.1974 0.0368 0.0368 0.0719 0.0719 0.1019 0.1019 0.2103 0.2103 0.2232 0.2232 0.2257 0.2257 0.2477 0.2477 1.7017 1.7017 5.8304 5.8304 7.3128 7.3128 k = 0.2419-0.1397 0.1975 ( 9573 PWs) bands (ev): -17.0581 -17.0581 -17.0573 -17.0573 -14.7672 -14.7672 -14.7589 -14.7589 -14.3573 -14.3573 -13.8723 -13.8723 -13.1720 -13.1720 -13.1326 -13.1326 -13.1299 -13.1299 -12.4613 -12.4613 -12.3607 -12.3607 -11.6547 -11.6547 -11.6381 -11.6381 -6.7997 -6.7997 -3.1123 -3.1123 -2.7557 -2.7557 -2.7145 -2.7145 -1.8116 -1.8116 -1.7215 -1.7215 -1.6781 -1.6781 -1.0878 -1.0878 -0.8627 -0.8627 -0.7901 -0.7901 -0.7781 -0.7781 -0.6509 -0.6509 -0.6069 -0.6069 -0.5422 -0.5422 -0.4487 -0.4487 -0.2741 -0.2741 -0.2320 -0.2320 0.0360 0.0360 0.0503 0.0503 0.0834 0.0834 0.2031 0.2031 0.2195 0.2195 0.2234 0.2234 0.2399 0.2399 1.7562 1.7562 5.8566 5.8566 7.3437 7.3437 k = 0.2581-0.1490 0.2107 ( 9573 PWs) bands (ev): -17.0582 -17.0582 -17.0573 -17.0573 -14.7681 -14.7681 -14.7589 -14.7589 -14.3573 -14.3573 -13.8635 -13.8635 -13.1728 -13.1728 -13.1336 -13.1336 -13.1304 -13.1304 -12.4723 -12.4723 -12.3605 -12.3605 -11.6550 -11.6550 -11.6387 -11.6387 -6.7839 -6.7839 -3.1012 -3.1012 -2.7446 -2.7446 -2.6969 -2.6969 -1.7971 -1.7971 -1.6925 -1.6925 -1.6494 -1.6494 -1.1212 -1.1212 -0.8808 -0.8808 -0.8134 -0.8134 -0.8063 -0.8063 -0.6568 -0.6568 -0.6026 -0.6026 -0.5369 -0.5369 -0.4499 -0.4499 -0.3092 -0.3092 -0.2679 -0.2679 0.0289 0.0289 0.0353 0.0353 0.0646 0.0646 0.1953 0.1953 0.2164 0.2164 0.2207 0.2207 0.2323 0.2323 1.8100 1.8100 5.8831 5.8831 7.3749 7.3749 k = 0.2742-0.1583 0.2239 ( 9545 PWs) bands (ev): -17.0583 -17.0583 -17.0573 -17.0573 -14.7690 -14.7690 -14.7589 -14.7589 -14.3573 -14.3573 -13.8545 -13.8545 -13.1736 -13.1736 -13.1346 -13.1346 -13.1308 -13.1308 -12.4833 -12.4833 -12.3603 -12.3603 -11.6554 -11.6554 -11.6393 -11.6393 -6.7681 -6.7681 -3.0900 -3.0900 -2.7334 -2.7334 -2.6784 -2.6784 -1.7824 -1.7824 -1.6621 -1.6621 -1.6191 -1.6191 -1.1552 -1.1552 -0.9001 -0.9001 -0.8473 -0.8473 -0.8229 -0.8229 -0.6629 -0.6629 -0.5980 -0.5980 -0.5314 -0.5314 -0.4515 -0.4515 -0.3455 -0.3455 -0.3045 -0.3045 0.0080 0.0080 0.0346 0.0346 0.0456 0.0456 0.1872 0.1872 0.2136 0.2136 0.2168 0.2168 0.2259 0.2259 1.8626 1.8626 5.9096 5.9096 7.4061 7.4061 k = 0.2903-0.1676 0.2370 ( 9545 PWs) bands (ev): -17.0583 -17.0583 -17.0573 -17.0573 -14.7699 -14.7699 -14.7588 -14.7588 -14.3573 -14.3573 -13.8454 -13.8454 -13.1744 -13.1744 -13.1357 -13.1357 -13.1312 -13.1312 -12.4942 -12.4942 -12.3601 -12.3601 -11.6557 -11.6557 -11.6399 -11.6399 -6.7524 -6.7524 -3.0787 -3.0787 -2.7222 -2.7222 -2.6594 -2.6594 -1.7678 -1.7678 -1.6306 -1.6306 -1.5875 -1.5875 -1.1896 -1.1896 -0.9212 -0.9212 -0.8783 -0.8783 -0.8396 -0.8396 -0.6689 -0.6689 -0.5932 -0.5932 -0.5257 -0.5257 -0.4539 -0.4539 -0.3828 -0.3828 -0.3411 -0.3411 -0.0123 -0.0123 0.0267 0.0267 0.0340 0.0340 0.1791 0.1791 0.2107 0.2107 0.2111 0.2111 0.2217 0.2217 1.9135 1.9135 5.9359 5.9359 7.4370 7.4370 k = 0.3065-0.1769 0.2502 ( 9545 PWs) bands (ev): -17.0584 -17.0584 -17.0573 -17.0573 -14.7708 -14.7708 -14.7588 -14.7588 -14.3573 -14.3573 -13.8364 -13.8364 -13.1753 -13.1753 -13.1368 -13.1368 -13.1317 -13.1317 -12.5049 -12.5049 -12.3599 -12.3599 -11.6561 -11.6561 -11.6404 -11.6404 -6.7370 -6.7370 -3.0676 -3.0676 -2.7111 -2.7111 -2.6398 -2.6398 -1.7533 -1.7533 -1.5979 -1.5979 -1.5546 -1.5546 -1.2243 -1.2243 -0.9447 -0.9447 -0.9054 -0.9054 -0.8562 -0.8562 -0.6749 -0.6749 -0.5884 -0.5884 -0.5203 -0.5203 -0.4581 -0.4581 -0.4207 -0.4207 -0.3763 -0.3763 -0.0319 -0.0319 0.0080 0.0080 0.0334 0.0334 0.1709 0.1709 0.2031 0.2031 0.2088 0.2088 0.2191 0.2191 1.9625 1.9625 5.9617 5.9617 7.4673 7.4673 k = 0.3226-0.1862 0.2634 ( 9541 PWs) bands (ev): -17.0585 -17.0585 -17.0573 -17.0573 -14.7716 -14.7716 -14.7588 -14.7588 -14.3573 -14.3573 -13.8275 -13.8275 -13.1763 -13.1763 -13.1379 -13.1379 -13.1321 -13.1321 -12.5152 -12.5152 -12.3597 -12.3597 -11.6564 -11.6564 -11.6409 -11.6409 -6.7221 -6.7221 -3.0566 -3.0566 -2.7002 -2.7002 -2.6199 -2.6199 -1.7391 -1.7391 -1.5643 -1.5643 -1.5207 -1.5207 -1.2590 -1.2590 -0.9702 -0.9702 -0.9283 -0.9283 -0.8727 -0.8727 -0.6806 -0.6806 -0.5840 -0.5840 -0.5163 -0.5163 -0.4665 -0.4665 -0.4587 -0.4587 -0.4066 -0.4066 -0.0505 -0.0505 -0.0103 -0.0103 0.0329 0.0329 0.1629 0.1629 0.1951 0.1951 0.2067 0.2067 0.2171 0.2171 2.0090 2.0090 5.9868 5.9868 7.4966 7.4966 k = 0.3387-0.1956 0.2766 ( 9545 PWs) bands (ev): -17.0586 -17.0586 -17.0573 -17.0573 -14.7724 -14.7724 -14.7588 -14.7588 -14.3573 -14.3573 -13.8188 -13.8188 -13.1773 -13.1773 -13.1390 -13.1390 -13.1325 -13.1325 -12.5252 -12.5252 -12.3595 -12.3595 -11.6567 -11.6567 -11.6414 -11.6414 -6.7079 -6.7079 -3.0461 -3.0461 -2.6897 -2.6897 -2.5999 -2.5999 -1.7254 -1.7254 -1.5300 -1.5300 -1.4858 -1.4858 -1.2935 -1.2935 -0.9961 -0.9961 -0.9480 -0.9480 -0.8888 -0.8888 -0.6861 -0.6861 -0.5810 -0.5810 -0.5179 -0.5179 -0.4957 -0.4957 -0.4803 -0.4803 -0.4261 -0.4261 -0.0680 -0.0680 -0.0279 -0.0279 0.0324 0.0324 0.1551 0.1551 0.1872 0.1872 0.2047 0.2047 0.2154 0.2154 2.0527 2.0527 6.0108 6.0108 7.5247 7.5247 k = 0.3548-0.2049 0.2897 ( 9549 PWs) bands (ev): -17.0586 -17.0586 -17.0573 -17.0573 -14.7732 -14.7732 -14.7587 -14.7587 -14.3573 -14.3573 -13.8104 -13.8104 -13.1783 -13.1783 -13.1400 -13.1400 -13.1328 -13.1328 -12.5346 -12.5346 -12.3593 -12.3593 -11.6570 -11.6570 -11.6418 -11.6418 -6.6944 -6.6944 -3.0360 -3.0360 -2.6797 -2.6797 -2.5800 -2.5800 -1.7123 -1.7123 -1.4954 -1.4954 -1.4502 -1.4502 -1.3272 -1.3272 -1.0210 -1.0210 -0.9658 -0.9658 -0.9044 -0.9044 -0.6913 -0.6913 -0.5824 -0.5824 -0.5366 -0.5366 -0.5282 -0.5282 -0.4876 -0.4876 -0.4352 -0.4352 -0.0843 -0.0843 -0.0447 -0.0447 0.0319 0.0319 0.1477 0.1477 0.1796 0.1796 0.2029 0.2029 0.2139 0.2139 2.0933 2.0933 6.0335 6.0335 7.5511 7.5511 k = 0.3710-0.2142 0.3029 ( 9549 PWs) bands (ev): -17.0587 -17.0587 -17.0573 -17.0573 -14.7739 -14.7739 -14.7587 -14.7587 -14.3573 -14.3573 -13.8026 -13.8026 -13.1793 -13.1793 -13.1410 -13.1410 -13.1331 -13.1331 -12.5434 -12.5434 -12.3591 -12.3591 -11.6572 -11.6572 -11.6422 -11.6422 -6.6819 -6.6819 -3.0265 -3.0265 -2.6702 -2.6702 -2.5605 -2.5605 -1.7000 -1.7000 -1.4610 -1.4610 -1.4141 -1.4141 -1.3593 -1.3593 -1.0438 -1.0438 -0.9823 -0.9823 -0.9194 -0.9194 -0.6961 -0.6961 -0.5977 -0.5977 -0.5690 -0.5690 -0.5466 -0.5466 -0.4858 -0.4858 -0.4395 -0.4395 -0.0993 -0.0993 -0.0604 -0.0604 0.0316 0.0316 0.1407 0.1407 0.1723 0.1723 0.2013 0.2013 0.2126 0.2126 2.1305 2.1305 6.0547 6.0547 7.5757 7.5757 k = 0.3871-0.2235 0.3161 ( 9549 PWs) bands (ev): -17.0588 -17.0588 -17.0573 -17.0573 -14.7746 -14.7746 -14.7587 -14.7587 -14.3573 -14.3573 -13.7953 -13.7953 -13.1802 -13.1802 -13.1420 -13.1420 -13.1334 -13.1334 -12.5513 -12.5513 -12.3590 -12.3590 -11.6575 -11.6575 -11.6426 -11.6426 -6.6705 -6.6705 -3.0178 -3.0178 -2.6615 -2.6615 -2.5417 -2.5417 -1.6886 -1.6886 -1.4300 -1.4300 -1.3865 -1.3865 -1.3779 -1.3779 -1.0642 -1.0642 -0.9976 -0.9976 -0.9338 -0.9338 -0.7005 -0.7005 -0.6277 -0.6277 -0.6052 -0.6052 -0.5497 -0.5497 -0.4818 -0.4818 -0.4419 -0.4419 -0.1128 -0.1128 -0.0749 -0.0749 0.0312 0.0312 0.1342 0.1342 0.1655 0.1655 0.1999 0.1999 0.2114 0.2114 2.1640 2.1640 6.0740 6.0740 7.5980 7.5980 k = 0.4032-0.2328 0.3292 ( 9549 PWs) bands (ev): -17.0588 -17.0588 -17.0573 -17.0573 -14.7752 -14.7752 -14.7587 -14.7587 -14.3573 -14.3573 -13.7886 -13.7886 -13.1812 -13.1812 -13.1429 -13.1429 -13.1337 -13.1337 -12.5585 -12.5585 -12.3588 -12.3588 -11.6577 -11.6577 -11.6429 -11.6429 -6.6603 -6.6603 -3.0099 -3.0099 -2.6537 -2.6537 -2.5240 -2.5240 -1.6783 -1.6783 -1.4290 -1.4290 -1.3821 -1.3821 -1.3420 -1.3420 -1.0819 -1.0819 -1.0120 -1.0120 -0.9474 -0.9474 -0.7044 -0.7044 -0.6613 -0.6613 -0.6415 -0.6415 -0.5480 -0.5480 -0.4774 -0.4774 -0.4433 -0.4433 -0.1247 -0.1247 -0.0879 -0.0879 0.0309 0.0309 0.1284 0.1284 0.1594 0.1594 0.1987 0.1987 0.2104 0.2104 2.1935 2.1935 6.0913 6.0913 7.6180 7.6180 k = 0.4194-0.2421 0.3424 ( 9553 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7757 -14.7757 -14.7587 -14.7587 -14.3573 -14.3573 -13.7828 -13.7828 -13.1821 -13.1821 -13.1436 -13.1436 -13.1340 -13.1340 -12.5647 -12.5647 -12.3587 -12.3587 -11.6579 -11.6579 -11.6432 -11.6432 -6.6515 -6.6515 -3.0030 -3.0030 -2.6469 -2.6469 -2.5078 -2.5078 -1.6694 -1.6694 -1.4519 -1.4519 -1.3520 -1.3520 -1.3071 -1.3071 -1.0968 -1.0968 -1.0256 -1.0256 -0.9603 -0.9603 -0.7078 -0.7078 -0.6941 -0.6941 -0.6762 -0.6762 -0.5453 -0.5453 -0.4732 -0.4732 -0.4443 -0.4443 -0.1349 -0.1349 -0.0992 -0.0992 0.0307 0.0307 0.1233 0.1233 0.1540 0.1540 0.1976 0.1976 0.2095 0.2095 2.2189 2.2189 6.1064 6.1064 7.6353 7.6353 k = 0.4355-0.2514 0.3556 ( 9569 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7761 -14.7761 -14.7586 -14.7586 -14.3573 -14.3573 -13.7779 -13.7779 -13.1829 -13.1829 -13.1443 -13.1443 -13.1342 -13.1342 -12.5698 -12.5698 -12.3586 -12.3586 -11.6580 -11.6580 -11.6434 -11.6434 -6.6441 -6.6441 -2.9972 -2.9972 -2.6411 -2.6411 -2.4937 -2.4937 -1.6618 -1.6618 -1.4740 -1.4740 -1.3214 -1.3214 -1.2740 -1.2740 -1.1087 -1.1087 -1.0384 -1.0384 -0.9724 -0.9724 -0.7240 -0.7240 -0.7120 -0.7120 -0.7065 -0.7065 -0.5425 -0.5425 -0.4696 -0.4696 -0.4450 -0.4450 -0.1434 -0.1434 -0.1088 -0.1088 0.0304 0.0304 0.1190 0.1190 0.1495 0.1495 0.1967 0.1967 0.2088 0.2088 2.2399 2.2399 6.1189 6.1189 7.6498 7.6498 k = 0.4516-0.2607 0.3687 ( 9577 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7764 -14.7764 -14.7586 -14.7586 -14.3573 -14.3573 -13.7740 -13.7740 -13.1835 -13.1835 -13.1448 -13.1448 -13.1343 -13.1343 -12.5739 -12.5739 -12.3586 -12.3586 -11.6581 -11.6581 -11.6436 -11.6436 -6.6383 -6.6383 -2.9926 -2.9926 -2.6365 -2.6365 -2.4821 -2.4821 -1.6558 -1.6558 -1.4923 -1.4923 -1.2935 -1.2935 -1.2441 -1.2441 -1.1177 -1.1177 -1.0503 -1.0503 -0.9838 -0.9838 -0.7496 -0.7496 -0.7358 -0.7358 -0.7123 -0.7123 -0.5402 -0.5402 -0.4666 -0.4666 -0.4456 -0.4456 -0.1501 -0.1501 -0.1164 -0.1164 0.0303 0.0303 0.1155 0.1155 0.1459 0.1459 0.1961 0.1961 0.2082 0.2082 2.2564 2.2564 6.1289 6.1289 7.6612 7.6612 k = 0.4677-0.2701 0.3819 ( 9584 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7766 -14.7766 -14.7586 -14.7586 -14.3573 -14.3573 -13.7711 -13.7711 -13.1840 -13.1840 -13.1451 -13.1451 -13.1344 -13.1344 -12.5769 -12.5769 -12.3585 -12.3585 -11.6582 -11.6582 -11.6437 -11.6437 -6.6340 -6.6340 -2.9893 -2.9893 -2.6332 -2.6332 -2.4734 -2.4734 -1.6514 -1.6514 -1.5060 -1.5060 -1.2707 -1.2707 -1.2192 -1.2192 -1.1236 -1.1236 -1.0607 -1.0607 -0.9937 -0.9937 -0.7694 -0.7694 -0.7570 -0.7570 -0.7140 -0.7140 -0.5384 -0.5384 -0.4644 -0.4644 -0.4459 -0.4459 -0.1549 -0.1549 -0.1219 -0.1219 0.0301 0.0301 0.1130 0.1130 0.1432 0.1432 0.1956 0.1956 0.2078 0.2078 2.2683 2.2683 6.1361 6.1361 7.6695 7.6695 k = 0.4839-0.2794 0.3951 ( 9580 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7768 -14.7768 -14.7586 -14.7586 -14.3573 -14.3573 -13.7694 -13.7694 -13.1843 -13.1843 -13.1454 -13.1454 -13.1345 -13.1345 -12.5787 -12.5787 -12.3585 -12.3585 -11.6583 -11.6583 -11.6438 -11.6438 -6.6315 -6.6315 -2.9873 -2.9873 -2.6312 -2.6312 -2.4681 -2.4681 -1.6487 -1.6487 -1.5145 -1.5145 -1.2554 -1.2554 -1.2023 -1.2023 -1.1268 -1.1268 -1.0683 -1.0683 -1.0009 -1.0009 -0.7820 -0.7820 -0.7705 -0.7705 -0.7150 -0.7150 -0.5373 -0.5373 -0.4630 -0.4630 -0.4461 -0.4461 -0.1578 -0.1578 -0.1252 -0.1252 0.0301 0.0301 0.1115 0.1115 0.1416 0.1416 0.1953 0.1953 0.2076 0.2076 2.2755 2.2755 6.1405 6.1405 7.6745 7.6745 k = 0.5000-0.2887 0.4082 ( 9608 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7768 -14.7768 -14.7586 -14.7586 -14.3573 -14.3573 -13.7688 -13.7688 -13.1844 -13.1844 -13.1454 -13.1454 -13.1345 -13.1345 -12.5793 -12.5793 -12.3585 -12.3585 -11.6583 -11.6583 -11.6438 -11.6438 -6.6306 -6.6306 -2.9866 -2.9866 -2.6305 -2.6305 -2.4662 -2.4662 -1.6478 -1.6478 -1.5173 -1.5173 -1.2499 -1.2499 -1.1962 -1.1962 -1.1277 -1.1277 -1.0712 -1.0712 -1.0036 -1.0036 -0.7863 -0.7863 -0.7752 -0.7752 -0.7153 -0.7153 -0.5370 -0.5370 -0.4625 -0.4625 -0.4462 -0.4462 -0.1588 -0.1588 -0.1264 -0.1264 0.0301 0.0301 0.1110 0.1110 0.1410 0.1410 0.1952 0.1952 0.2075 0.2075 2.2779 2.2779 6.1419 6.1419 7.6761 7.6761 k = 0.5000-0.2887 0.4082 ( 9608 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7768 -14.7768 -14.7586 -14.7586 -14.3573 -14.3573 -13.7688 -13.7688 -13.1844 -13.1844 -13.1454 -13.1454 -13.1345 -13.1345 -12.5793 -12.5793 -12.3585 -12.3585 -11.6583 -11.6583 -11.6438 -11.6438 -6.6306 -6.6306 -2.9866 -2.9866 -2.6305 -2.6305 -2.4662 -2.4662 -1.6478 -1.6478 -1.5173 -1.5173 -1.2499 -1.2499 -1.1962 -1.1962 -1.1277 -1.1277 -1.0712 -1.0712 -1.0036 -1.0036 -0.7863 -0.7863 -0.7752 -0.7752 -0.7153 -0.7153 -0.5370 -0.5370 -0.4625 -0.4625 -0.4462 -0.4462 -0.1588 -0.1588 -0.1264 -0.1264 0.0301 0.0301 0.1110 0.1110 0.1410 0.1410 0.1952 0.1952 0.2075 0.2075 2.2779 2.2779 6.1419 6.1419 7.6761 7.6761 k = 0.5000-0.2706 0.4210 ( 9576 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7768 -14.7768 -14.7587 -14.7587 -14.3573 -14.3573 -13.7688 -13.7688 -13.1844 -13.1844 -13.1455 -13.1455 -13.1346 -13.1346 -12.5787 -12.5787 -12.3588 -12.3588 -11.6583 -11.6583 -11.6439 -11.6439 -6.6306 -6.6306 -2.9868 -2.9868 -2.6307 -2.6307 -2.4668 -2.4668 -1.6471 -1.6471 -1.5155 -1.5155 -1.2496 -1.2496 -1.1959 -1.1959 -1.1316 -1.1316 -1.0699 -1.0699 -1.0041 -1.0041 -0.7871 -0.7871 -0.7764 -0.7764 -0.7100 -0.7100 -0.5387 -0.5387 -0.4657 -0.4657 -0.4449 -0.4449 -0.1568 -0.1568 -0.1256 -0.1256 0.0285 0.0285 0.1109 0.1109 0.1410 0.1410 0.1950 0.1950 0.2073 0.2073 2.2779 2.2779 6.1418 6.1418 7.6760 7.6760 k = 0.5000-0.2526 0.4338 ( 9584 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7767 -14.7767 -14.7587 -14.7587 -14.3573 -14.3573 -13.7687 -13.7687 -13.1845 -13.1845 -13.1457 -13.1457 -13.1350 -13.1350 -12.5771 -12.5771 -12.3599 -12.3599 -11.6581 -11.6581 -11.6440 -11.6440 -6.6306 -6.6306 -2.9873 -2.9873 -2.6312 -2.6312 -2.4683 -2.4683 -1.6449 -1.6449 -1.5099 -1.5099 -1.2486 -1.2486 -1.1948 -1.1948 -1.1420 -1.1420 -1.0669 -1.0669 -1.0054 -1.0054 -0.7887 -0.7887 -0.7790 -0.7790 -0.6958 -0.6958 -0.5440 -0.5440 -0.4728 -0.4728 -0.4431 -0.4431 -0.1508 -0.1508 -0.1233 -0.1233 0.0240 0.0240 0.1106 0.1106 0.1407 0.1407 0.1945 0.1945 0.2068 0.2068 2.2780 2.2780 6.1414 6.1414 7.6755 7.6755 k = 0.5000-0.2345 0.4465 ( 9572 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7765 -14.7765 -14.7589 -14.7589 -14.3573 -14.3573 -13.7686 -13.7686 -13.1846 -13.1846 -13.1459 -13.1459 -13.1356 -13.1356 -12.5744 -12.5744 -12.3617 -12.3617 -11.6580 -11.6580 -11.6441 -11.6441 -6.6305 -6.6305 -2.9882 -2.9882 -2.6320 -2.6320 -2.4709 -2.4709 -1.6411 -1.6411 -1.5008 -1.5008 -1.2470 -1.2470 -1.1931 -1.1931 -1.1573 -1.1573 -1.0637 -1.0637 -1.0074 -1.0074 -0.7901 -0.7901 -0.7817 -0.7817 -0.6758 -0.6758 -0.5528 -0.5528 -0.4813 -0.4813 -0.4427 -0.4427 -0.1414 -0.1414 -0.1195 -0.1195 0.0166 0.0166 0.1098 0.1098 0.1405 0.1405 0.1933 0.1933 0.2062 0.2062 2.2782 2.2782 6.1409 6.1409 7.6748 7.6748 k = 0.5000-0.2165 0.4593 ( 9578 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7763 -14.7763 -14.7591 -14.7591 -14.3573 -14.3573 -13.7684 -13.7684 -13.1848 -13.1848 -13.1463 -13.1463 -13.1364 -13.1364 -12.5708 -12.5708 -12.3642 -12.3642 -11.6577 -11.6577 -11.6444 -11.6444 -6.6305 -6.6305 -2.9894 -2.9894 -2.6330 -2.6330 -2.4743 -2.4743 -1.6360 -1.6360 -1.4884 -1.4884 -1.2449 -1.2449 -1.1908 -1.1908 -1.1758 -1.1758 -1.0611 -1.0611 -1.0098 -1.0098 -0.7916 -0.7916 -0.7830 -0.7830 -0.6519 -0.6519 -0.5648 -0.5648 -0.4902 -0.4902 -0.4443 -0.4443 -0.1290 -0.1290 -0.1142 -0.1142 0.0065 0.0065 0.1083 0.1083 0.1405 0.1405 0.1911 0.1911 0.2056 0.2056 2.2785 2.2785 6.1400 6.1400 7.6739 7.6739 k = 0.5000-0.1985 0.4720 ( 9584 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7760 -14.7760 -14.7594 -14.7594 -14.3573 -14.3573 -13.7682 -13.7682 -13.1850 -13.1850 -13.1468 -13.1468 -13.1374 -13.1374 -12.5662 -12.5662 -12.3673 -12.3673 -11.6574 -11.6574 -11.6447 -11.6447 -6.6304 -6.6304 -2.9909 -2.9909 -2.6342 -2.6342 -2.4785 -2.4785 -1.6293 -1.6293 -1.4731 -1.4731 -1.2427 -1.2427 -1.1965 -1.1965 -1.1879 -1.1879 -1.0598 -1.0598 -1.0123 -1.0123 -0.7948 -0.7948 -0.7810 -0.7810 -0.6259 -0.6259 -0.5791 -0.5791 -0.4990 -0.4990 -0.4476 -0.4476 -0.1145 -0.1145 -0.1077 -0.1077 -0.0062 -0.0062 0.1058 0.1058 0.1411 0.1411 0.1877 0.1877 0.2052 0.2052 2.2788 2.2788 6.1391 6.1391 7.6729 7.6729 k = 0.5000-0.1804 0.4848 ( 9574 PWs) bands (ev): -17.0589 -17.0589 -17.0574 -17.0574 -14.7757 -14.7757 -14.7597 -14.7597 -14.3573 -14.3573 -13.7680 -13.7680 -13.1854 -13.1854 -13.1473 -13.1473 -13.1384 -13.1384 -12.5609 -12.5609 -12.3710 -12.3710 -11.6571 -11.6571 -11.6450 -11.6450 -6.6303 -6.6303 -2.9927 -2.9927 -2.6352 -2.6352 -2.4833 -2.4833 -1.6212 -1.6212 -1.4553 -1.4553 -1.2416 -1.2416 -1.2172 -1.2172 -1.1846 -1.1846 -1.0600 -1.0600 -1.0142 -1.0142 -0.7995 -0.7995 -0.7757 -0.7757 -0.6037 -0.6037 -0.5903 -0.5903 -0.5073 -0.5073 -0.4525 -0.4525 -0.1004 -0.1004 -0.0980 -0.0980 -0.0211 -0.0211 0.1022 0.1022 0.1424 0.1424 0.1831 0.1831 0.2047 0.2047 2.2791 2.2791 6.1379 6.1379 7.6718 7.6718 k = 0.5000-0.1624 0.4976 ( 9574 PWs) bands (ev): -17.0588 -17.0588 -17.0574 -17.0574 -14.7753 -14.7753 -14.7600 -14.7600 -14.3573 -14.3573 -13.7677 -13.7677 -13.1857 -13.1857 -13.1480 -13.1480 -13.1394 -13.1394 -12.5549 -12.5549 -12.3753 -12.3753 -11.6566 -11.6566 -11.6454 -11.6454 -6.6302 -6.6302 -2.9947 -2.9947 -2.6362 -2.6362 -2.4885 -2.4885 -1.6117 -1.6117 -1.4355 -1.4355 -1.2508 -1.2508 -1.2286 -1.2286 -1.1809 -1.1809 -1.0622 -1.0622 -1.0149 -1.0149 -0.8051 -0.8051 -0.7683 -0.7683 -0.6159 -0.6159 -0.5689 -0.5689 -0.5138 -0.5138 -0.4587 -0.4587 -0.0916 -0.0916 -0.0809 -0.0809 -0.0380 -0.0380 0.0973 0.0973 0.1445 0.1445 0.1775 0.1775 0.2041 0.2041 2.2795 2.2795 6.1366 6.1366 7.6709 7.6709 k = 0.5000-0.1443 0.5103 ( 9584 PWs) bands (ev): -17.0588 -17.0588 -17.0574 -17.0574 -14.7749 -14.7749 -14.7604 -14.7604 -14.3573 -14.3573 -13.7674 -13.7674 -13.1862 -13.1862 -13.1486 -13.1486 -13.1403 -13.1403 -12.5483 -12.5483 -12.3801 -12.3801 -11.6561 -11.6561 -11.6459 -11.6459 -6.6301 -6.6301 -2.9968 -2.9968 -2.6370 -2.6370 -2.4940 -2.4940 -1.6007 -1.6007 -1.4144 -1.4144 -1.2727 -1.2727 -1.2277 -1.2277 -1.1769 -1.1769 -1.0664 -1.0664 -1.0144 -1.0144 -0.8111 -0.8111 -0.7594 -0.7594 -0.6337 -0.6337 -0.5510 -0.5510 -0.5109 -0.5109 -0.4656 -0.4656 -0.0826 -0.0826 -0.0633 -0.0633 -0.0561 -0.0561 0.0913 0.0913 0.1472 0.1472 0.1707 0.1707 0.2031 0.2031 2.2799 2.2799 6.1353 6.1353 7.6701 7.6701 k = 0.5000-0.1263 0.5231 ( 9578 PWs) bands (ev): -17.0588 -17.0588 -17.0575 -17.0575 -14.7745 -14.7745 -14.7608 -14.7608 -14.3573 -14.3573 -13.7671 -13.7671 -13.1867 -13.1867 -13.1493 -13.1493 -13.1412 -13.1412 -12.5414 -12.5414 -12.3852 -12.3852 -11.6556 -11.6556 -11.6464 -11.6464 -6.6300 -6.6300 -2.9989 -2.9989 -2.6375 -2.6375 -2.4995 -2.4995 -1.5884 -1.5884 -1.3924 -1.3924 -1.2971 -1.2971 -1.2246 -1.2246 -1.1726 -1.1726 -1.0722 -1.0722 -1.0128 -1.0128 -0.8172 -0.8172 -0.7496 -0.7496 -0.6512 -0.6512 -0.5516 -0.5516 -0.4895 -0.4895 -0.4728 -0.4728 -0.0821 -0.0821 -0.0677 -0.0677 -0.0445 -0.0445 0.0842 0.0842 0.1505 0.1505 0.1631 0.1631 0.2018 0.2018 2.2803 2.2803 6.1339 6.1339 7.6696 7.6696 k = 0.5000-0.1083 0.5358 ( 9568 PWs) bands (ev): -17.0587 -17.0587 -17.0575 -17.0575 -14.7740 -14.7740 -14.7612 -14.7612 -14.3573 -14.3573 -13.7669 -13.7669 -13.1872 -13.1872 -13.1499 -13.1499 -13.1421 -13.1421 -12.5344 -12.5344 -12.3906 -12.3906 -11.6550 -11.6550 -11.6470 -11.6470 -6.6299 -6.6299 -3.0010 -3.0010 -2.6378 -2.6378 -2.5050 -2.5050 -1.5748 -1.5748 -1.3706 -1.3706 -1.3215 -1.3215 -1.2214 -1.2214 -1.1682 -1.1682 -1.0791 -1.0791 -1.0104 -1.0104 -0.8233 -0.8233 -0.7399 -0.7399 -0.6668 -0.6668 -0.5604 -0.5604 -0.4810 -0.4810 -0.4590 -0.4590 -0.1025 -0.1025 -0.0588 -0.0588 -0.0263 -0.0263 0.0762 0.0762 0.1526 0.1526 0.1560 0.1560 0.2000 0.2000 2.2807 2.2807 6.1326 6.1326 7.6693 7.6693 k = 0.5000-0.0902 0.5486 ( 9572 PWs) bands (ev): -17.0587 -17.0587 -17.0576 -17.0576 -14.7736 -14.7736 -14.7616 -14.7616 -14.3573 -14.3573 -13.7666 -13.7666 -13.1878 -13.1878 -13.1504 -13.1504 -13.1428 -13.1428 -12.5274 -12.5274 -12.3960 -12.3960 -11.6544 -11.6544 -11.6476 -11.6476 -6.6298 -6.6298 -3.0030 -3.0030 -2.6378 -2.6378 -2.5101 -2.5101 -1.5598 -1.5598 -1.3558 -1.3558 -1.3393 -1.3393 -1.2188 -1.2188 -1.1636 -1.1636 -1.0868 -1.0868 -1.0077 -1.0077 -0.8291 -0.8291 -0.7322 -0.7322 -0.6782 -0.6782 -0.5717 -0.5717 -0.4880 -0.4880 -0.4273 -0.4273 -0.1264 -0.1264 -0.0476 -0.0476 -0.0084 -0.0084 0.0675 0.0675 0.1443 0.1443 0.1588 0.1588 0.1978 0.1978 2.2810 2.2810 6.1314 6.1314 7.6692 7.6692 k = 0.5000-0.0722 0.5613 ( 9570 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7732 -14.7732 -14.7620 -14.7620 -14.3573 -14.3573 -13.7664 -13.7664 -13.1883 -13.1883 -13.1509 -13.1509 -13.1434 -13.1434 -12.5208 -12.5208 -12.4013 -12.4013 -11.6538 -11.6538 -11.6482 -11.6482 -6.6297 -6.6297 -3.0048 -3.0048 -2.6376 -2.6376 -2.5146 -2.5146 -1.5436 -1.5436 -1.3742 -1.3742 -1.3248 -1.3248 -1.2173 -1.2173 -1.1587 -1.1587 -1.0949 -1.0949 -1.0050 -1.0050 -0.8342 -0.8342 -0.7300 -0.7300 -0.6817 -0.6817 -0.5841 -0.5841 -0.4945 -0.4945 -0.3949 -0.3949 -0.1520 -0.1520 -0.0359 -0.0359 0.0088 0.0088 0.0582 0.0582 0.1339 0.1339 0.1629 0.1629 0.1951 0.1951 2.2813 2.2813 6.1303 6.1303 7.6694 7.6694 k = 0.5000-0.0541 0.5741 ( 9574 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7729 -14.7729 -14.7623 -14.7623 -14.3573 -14.3573 -13.7662 -13.7662 -13.1887 -13.1887 -13.1512 -13.1512 -13.1439 -13.1439 -12.5150 -12.5150 -12.4061 -12.4061 -11.6531 -11.6531 -11.6489 -11.6489 -6.6296 -6.6296 -3.0063 -3.0063 -2.6373 -2.6373 -2.5184 -2.5184 -1.5261 -1.5261 -1.3977 -1.3977 -1.3066 -1.3066 -1.2170 -1.2170 -1.1535 -1.1535 -1.1030 -1.1030 -1.0026 -1.0026 -0.8386 -0.8386 -0.7338 -0.7338 -0.6762 -0.6762 -0.5973 -0.5973 -0.5000 -0.5000 -0.3624 -0.3624 -0.1790 -0.1790 -0.0239 -0.0239 0.0246 0.0246 0.0489 0.0489 0.1227 0.1227 0.1673 0.1673 0.1920 0.1920 2.2816 2.2816 6.1293 6.1293 7.6696 7.6696 k = 0.5000-0.0361 0.5869 ( 9584 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7726 -14.7726 -14.7626 -14.7626 -14.3573 -14.3573 -13.7661 -13.7661 -13.1891 -13.1891 -13.1514 -13.1514 -13.1442 -13.1442 -12.5103 -12.5103 -12.4100 -12.4100 -11.6524 -11.6524 -11.6496 -11.6496 -6.6296 -6.6296 -3.0074 -3.0074 -2.6369 -2.6369 -2.5213 -2.5213 -1.5076 -1.5076 -1.4209 -1.4209 -1.2911 -1.2911 -1.2181 -1.2181 -1.1481 -1.1481 -1.1107 -1.1107 -1.0006 -1.0006 -0.8419 -0.8419 -0.7395 -0.7395 -0.6655 -0.6655 -0.6109 -0.6109 -0.5041 -0.5041 -0.3303 -0.3303 -0.2072 -0.2072 -0.0119 -0.0119 0.0320 0.0320 0.0464 0.0464 0.1113 0.1113 0.1717 0.1717 0.1886 0.1886 2.2818 2.2818 6.1286 6.1286 7.6699 7.6699 k = 0.5000-0.0180 0.5996 ( 9580 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7724 -14.7724 -14.7628 -14.7628 -14.3573 -14.3573 -13.7660 -13.7660 -13.1893 -13.1893 -13.1516 -13.1516 -13.1444 -13.1444 -12.5072 -12.5072 -12.4125 -12.4125 -11.6517 -11.6517 -11.6503 -11.6503 -6.6296 -6.6296 -3.0081 -3.0081 -2.6367 -2.6367 -2.5231 -2.5231 -1.4885 -1.4885 -1.4429 -1.4429 -1.2803 -1.2803 -1.2199 -1.2199 -1.1432 -1.1432 -1.1171 -1.1171 -0.9993 -0.9993 -0.8440 -0.8440 -0.7439 -0.7439 -0.6527 -0.6527 -0.6248 -0.6248 -0.5067 -0.5067 -0.2988 -0.2988 -0.2362 -0.2362 -0.0002 -0.0002 0.0238 0.0238 0.0567 0.0567 0.1007 0.1007 0.1759 0.1759 0.1850 0.1850 2.2819 2.2819 6.1282 6.1282 7.6701 7.6701 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7723 -14.7723 -14.7628 -14.7628 -14.3573 -14.3573 -13.7660 -13.7660 -13.1894 -13.1894 -13.1516 -13.1516 -13.1445 -13.1445 -12.5061 -12.5061 -12.4134 -12.4134 -11.6510 -11.6510 -11.6509 -11.6509 -6.6296 -6.6296 -3.0083 -3.0083 -2.6366 -2.6366 -2.5238 -2.5238 -1.4740 -1.4740 -1.4583 -1.4583 -1.2764 -1.2764 -1.2208 -1.2208 -1.1408 -1.1408 -1.1200 -1.1200 -0.9989 -0.9989 -0.8447 -0.8447 -0.7454 -0.7454 -0.6402 -0.6402 -0.6376 -0.6376 -0.5076 -0.5076 -0.2731 -0.2731 -0.2611 -0.2611 0.0085 0.0085 0.0157 0.0157 0.0625 0.0625 0.0954 0.0954 0.1787 0.1787 0.1824 0.1824 2.2819 2.2819 6.1281 6.1281 7.6702 7.6702 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7723 -14.7723 -14.7628 -14.7628 -14.3573 -14.3573 -13.7660 -13.7660 -13.1894 -13.1894 -13.1516 -13.1516 -13.1445 -13.1445 -12.5061 -12.5061 -12.4134 -12.4134 -11.6510 -11.6510 -11.6509 -11.6509 -6.6296 -6.6296 -3.0083 -3.0083 -2.6366 -2.6366 -2.5238 -2.5238 -1.4740 -1.4740 -1.4583 -1.4583 -1.2764 -1.2764 -1.2208 -1.2208 -1.1408 -1.1408 -1.1200 -1.1200 -0.9989 -0.9989 -0.8447 -0.8447 -0.7454 -0.7454 -0.6402 -0.6402 -0.6376 -0.6376 -0.5076 -0.5076 -0.2731 -0.2731 -0.2611 -0.2611 0.0085 0.0085 0.0157 0.0157 0.0625 0.0625 0.0954 0.0954 0.1787 0.1787 0.1824 0.1824 2.2819 2.2819 6.1281 6.1281 7.6702 7.6702 k = 0.4886 0.0197 0.6124 ( 9580 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7724 -14.7724 -14.7628 -14.7628 -14.3573 -14.3573 -13.7661 -13.7661 -13.1900 -13.1900 -13.1525 -13.1525 -13.1428 -13.1428 -12.5065 -12.5065 -12.4130 -12.4130 -11.6515 -11.6515 -11.6505 -11.6505 -6.6298 -6.6298 -3.0090 -3.0090 -2.6370 -2.6370 -2.5224 -2.5224 -1.4831 -1.4831 -1.4488 -1.4488 -1.2793 -1.2793 -1.2219 -1.2219 -1.1415 -1.1415 -1.1211 -1.1211 -0.9951 -0.9951 -0.8430 -0.8430 -0.7456 -0.7456 -0.6501 -0.6501 -0.6276 -0.6276 -0.5059 -0.5059 -0.2903 -0.2903 -0.2442 -0.2442 0.0032 0.0032 0.0213 0.0213 0.0590 0.0590 0.0976 0.0976 0.1770 0.1770 0.1849 0.1849 2.2814 2.2814 6.1274 6.1274 7.6683 7.6683 k = 0.4773 0.0394 0.6124 ( 9571 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7724 -14.7724 -14.7627 -14.7627 -14.3573 -14.3573 -13.7665 -13.7665 -13.1919 -13.1919 -13.1541 -13.1541 -13.1389 -13.1389 -12.5077 -12.5077 -12.4119 -12.4119 -11.6520 -11.6520 -11.6500 -11.6500 -6.6303 -6.6303 -3.0110 -3.0110 -2.6380 -2.6380 -2.5189 -2.5189 -1.4962 -1.4962 -1.4345 -1.4345 -1.2867 -1.2867 -1.2259 -1.2259 -1.1428 -1.1428 -1.1245 -1.1245 -0.9842 -0.9842 -0.8384 -0.8384 -0.7460 -0.7460 -0.6617 -0.6617 -0.6169 -0.6169 -0.5005 -0.5005 -0.3123 -0.3123 -0.2234 -0.2234 -0.0041 -0.0041 0.0291 0.0291 0.0517 0.0517 0.1015 0.1015 0.1740 0.1740 0.1904 0.1904 2.2798 2.2798 6.1255 6.1255 7.6632 7.6632 k = 0.4659 0.0590 0.6124 ( 9573 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7725 -14.7725 -14.7626 -14.7626 -14.3573 -14.3573 -13.7670 -13.7670 -13.1945 -13.1945 -13.1556 -13.1556 -13.1340 -13.1340 -12.5094 -12.5094 -12.4102 -12.4102 -11.6524 -11.6524 -11.6495 -11.6495 -6.6311 -6.6311 -3.0142 -3.0142 -2.6389 -2.6389 -2.5137 -2.5137 -1.5085 -1.5085 -1.4197 -1.4197 -1.2966 -1.2966 -1.2326 -1.2326 -1.1509 -1.1509 -1.1230 -1.1230 -0.9686 -0.9686 -0.8314 -0.8314 -0.7465 -0.7465 -0.6737 -0.6737 -0.6083 -0.6083 -0.4909 -0.4909 -0.3343 -0.3343 -0.2033 -0.2033 -0.0111 -0.0111 0.0335 0.0335 0.0464 0.0464 0.1045 0.1045 0.1706 0.1706 0.1975 0.1975 2.2775 2.2775 6.1226 6.1226 7.6559 7.6559 k = 0.4545 0.0787 0.6124 ( 9582 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7725 -14.7725 -14.7625 -14.7625 -14.3573 -14.3573 -13.7676 -13.7676 -13.1974 -13.1974 -13.1568 -13.1568 -13.1289 -13.1289 -12.5115 -12.5115 -12.4082 -12.4082 -11.6528 -11.6528 -11.6491 -11.6491 -6.6320 -6.6320 -3.0182 -3.0182 -2.6396 -2.6396 -2.5076 -2.5076 -1.5198 -1.5198 -1.4051 -1.4051 -1.3076 -1.3076 -1.2407 -1.2407 -1.1654 -1.1654 -1.1166 -1.1166 -0.9505 -0.9505 -0.8227 -0.8227 -0.7471 -0.7471 -0.6858 -0.6858 -0.6021 -0.6021 -0.4777 -0.4777 -0.3558 -0.3558 -0.1845 -0.1845 -0.0174 -0.0174 0.0274 0.0274 0.0510 0.0510 0.1062 0.1062 0.1671 0.1671 0.2055 0.2055 2.2748 2.2748 6.1189 6.1189 7.6476 7.6476 k = 0.4432 0.0984 0.6124 ( 9583 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7726 -14.7726 -14.7623 -14.7623 -14.3573 -14.3573 -13.7682 -13.7682 -13.2005 -13.2005 -13.1578 -13.1578 -13.1239 -13.1239 -12.5139 -12.5139 -12.4060 -12.4060 -11.6531 -11.6531 -11.6487 -11.6487 -6.6330 -6.6330 -3.0227 -3.0227 -2.6398 -2.6398 -2.5011 -2.5011 -1.5297 -1.5297 -1.3905 -1.3905 -1.3184 -1.3184 -1.2491 -1.2491 -1.1824 -1.1824 -1.1090 -1.1090 -0.9317 -0.9317 -0.8127 -0.8127 -0.7479 -0.7479 -0.6979 -0.6979 -0.5981 -0.5981 -0.4624 -0.4624 -0.3764 -0.3764 -0.1673 -0.1673 -0.0230 -0.0230 0.0177 0.0177 0.0588 0.0588 0.1067 0.1067 0.1635 0.1635 0.2138 0.2138 2.2718 2.2718 6.1147 6.1147 7.6390 7.6390 k = 0.4318 0.1181 0.6124 ( 9581 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7727 -14.7727 -14.7622 -14.7622 -14.3573 -14.3573 -13.7688 -13.7688 -13.2033 -13.2033 -13.1586 -13.1586 -13.1192 -13.1192 -12.5162 -12.5162 -12.4038 -12.4038 -11.6534 -11.6534 -11.6484 -11.6484 -6.6339 -6.6339 -3.0273 -3.0273 -2.6398 -2.6398 -2.4946 -2.4946 -1.5383 -1.5383 -1.3763 -1.3763 -1.3283 -1.3283 -1.2570 -1.2570 -1.2002 -1.2002 -1.1019 -1.1019 -0.9130 -0.9130 -0.8022 -0.8022 -0.7494 -0.7494 -0.7093 -0.7093 -0.5956 -0.5956 -0.4465 -0.4465 -0.3954 -0.3954 -0.1521 -0.1521 -0.0278 -0.0278 0.0078 0.0078 0.0667 0.0667 0.1064 0.1064 0.1598 0.1598 0.2218 0.2218 2.2689 2.2689 6.1104 6.1104 7.6309 7.6309 k = 0.4205 0.1378 0.6124 ( 9584 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7728 -14.7728 -14.7621 -14.7621 -14.3573 -14.3573 -13.7694 -13.7694 -13.2059 -13.2059 -13.1592 -13.1592 -13.1151 -13.1151 -12.5183 -12.5183 -12.4019 -12.4019 -11.6537 -11.6537 -11.6481 -11.6481 -6.6348 -6.6348 -3.0316 -3.0316 -2.6394 -2.6394 -2.4886 -2.4886 -1.5454 -1.5454 -1.3633 -1.3633 -1.3359 -1.3359 -1.2641 -1.2641 -1.2180 -1.2180 -1.0958 -1.0958 -0.8952 -0.8952 -0.7918 -0.7918 -0.7521 -0.7521 -0.7192 -0.7192 -0.5940 -0.5940 -0.4329 -0.4329 -0.4111 -0.4111 -0.1391 -0.1391 -0.0318 -0.0318 -0.0014 -0.0014 0.0740 0.0740 0.1056 0.1056 0.1561 0.1561 0.2288 0.2288 2.2661 2.2661 6.1064 6.1064 7.6238 7.6238 k = 0.4091 0.1575 0.6124 ( 9575 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7729 -14.7729 -14.7619 -14.7619 -14.3573 -14.3573 -13.7699 -13.7699 -13.2079 -13.2079 -13.1596 -13.1596 -13.1118 -13.1118 -12.5201 -12.5201 -12.4002 -12.4002 -11.6539 -11.6539 -11.6479 -11.6479 -6.6356 -6.6356 -3.0354 -3.0354 -2.6390 -2.6390 -2.4836 -2.4836 -1.5510 -1.5510 -1.3555 -1.3555 -1.3366 -1.3366 -1.2699 -1.2699 -1.2351 -1.2351 -1.0910 -1.0910 -0.8788 -0.8788 -0.7827 -0.7827 -0.7566 -0.7566 -0.7264 -0.7264 -0.5930 -0.5930 -0.4325 -0.4325 -0.4129 -0.4129 -0.1286 -0.1286 -0.0349 -0.0349 -0.0094 -0.0094 0.0804 0.0804 0.1047 0.1047 0.1527 0.1527 0.2346 0.2346 2.2638 2.2638 6.1029 6.1029 7.6181 7.6181 k = 0.3977 0.1771 0.6124 ( 9581 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7702 -13.7702 -13.2095 -13.2095 -13.1599 -13.1599 -13.1093 -13.1093 -12.5215 -12.5215 -12.3990 -12.3990 -11.6540 -11.6540 -11.6477 -11.6477 -6.6362 -6.6362 -3.0382 -3.0382 -2.6386 -2.6386 -2.4797 -2.4797 -1.5550 -1.5550 -1.3564 -1.3564 -1.3270 -1.3270 -1.2747 -1.2747 -1.2509 -1.2509 -1.0876 -1.0876 -0.8648 -0.8648 -0.7769 -0.7769 -0.7614 -0.7614 -0.7305 -0.7305 -0.5925 -0.5925 -0.4420 -0.4420 -0.4044 -0.4044 -0.1209 -0.1209 -0.0371 -0.0371 -0.0156 -0.0156 0.0855 0.0855 0.1039 0.1039 0.1499 0.1499 0.2389 0.2389 2.2621 2.2621 6.1001 6.1001 7.6138 7.6138 k = 0.3864 0.1968 0.6124 ( 9590 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7704 -13.7704 -13.2104 -13.2104 -13.1601 -13.1601 -13.1078 -13.1078 -12.5224 -12.5224 -12.3982 -12.3982 -11.6541 -11.6541 -11.6476 -11.6476 -6.6365 -6.6365 -3.0400 -3.0400 -2.6383 -2.6383 -2.4773 -2.4773 -1.5575 -1.5575 -1.3588 -1.3588 -1.3154 -1.3154 -1.2789 -1.2789 -1.2633 -1.2633 -1.0855 -1.0855 -0.8547 -0.8547 -0.7771 -0.7771 -0.7625 -0.7625 -0.7324 -0.7324 -0.5922 -0.5922 -0.4489 -0.4489 -0.3982 -0.3982 -0.1162 -0.1162 -0.0384 -0.0384 -0.0196 -0.0196 0.0888 0.0888 0.1035 0.1035 0.1479 0.1479 0.2416 0.2416 2.2610 2.2610 6.0984 6.0984 7.6112 7.6112 k = 0.3750 0.2165 0.6124 ( 9589 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7705 -13.7705 -13.2107 -13.2107 -13.1602 -13.1602 -13.1072 -13.1072 -12.5227 -12.5227 -12.3979 -12.3979 -11.6542 -11.6542 -11.6476 -11.6476 -6.6366 -6.6366 -3.0406 -3.0406 -2.6382 -2.6382 -2.4765 -2.4765 -1.5583 -1.5583 -1.3597 -1.3597 -1.3093 -1.3093 -1.2818 -1.2818 -1.2680 -1.2680 -1.0848 -1.0848 -0.8508 -0.8508 -0.7786 -0.7786 -0.7620 -0.7620 -0.7329 -0.7329 -0.5921 -0.5921 -0.4513 -0.4513 -0.3960 -0.3960 -0.1146 -0.1146 -0.0388 -0.0388 -0.0209 -0.0209 0.0899 0.0899 0.1033 0.1033 0.1472 0.1472 0.2425 0.2425 2.2606 2.2606 6.0978 6.0978 7.6104 7.6104 k = 0.3750 0.2165 0.6124 ( 9589 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7705 -13.7705 -13.2107 -13.2107 -13.1602 -13.1602 -13.1072 -13.1072 -12.5227 -12.5227 -12.3979 -12.3979 -11.6542 -11.6542 -11.6476 -11.6476 -6.6366 -6.6366 -3.0406 -3.0406 -2.6382 -2.6382 -2.4765 -2.4765 -1.5583 -1.5583 -1.3597 -1.3597 -1.3093 -1.3093 -1.2818 -1.2818 -1.2680 -1.2680 -1.0848 -1.0848 -0.8508 -0.8508 -0.7786 -0.7786 -0.7620 -0.7620 -0.7329 -0.7329 -0.5921 -0.5921 -0.4513 -0.4513 -0.3960 -0.3960 -0.1146 -0.1146 -0.0388 -0.0388 -0.0209 -0.0209 0.0899 0.0899 0.1033 0.1033 0.1472 0.1472 0.2425 0.2425 2.2606 2.2606 6.0978 6.0978 7.6104 7.6104 k = 0.3636 0.2099 0.5938 ( 9591 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7724 -14.7724 -14.7622 -14.7622 -14.3573 -14.3573 -13.7719 -13.7719 -13.2167 -13.2167 -13.1599 -13.1599 -13.1020 -13.1020 -12.5142 -12.5142 -12.4039 -12.4039 -11.6534 -11.6534 -11.6481 -11.6481 -6.6393 -6.6393 -3.0523 -3.0523 -2.6428 -2.6428 -2.4690 -2.4690 -1.5427 -1.5427 -1.3522 -1.3522 -1.3297 -1.3297 -1.2992 -1.2992 -1.2823 -1.2823 -1.0617 -1.0617 -0.8372 -0.8372 -0.7737 -0.7737 -0.7582 -0.7582 -0.7434 -0.7434 -0.6024 -0.6024 -0.4243 -0.4243 -0.3883 -0.3883 -0.1345 -0.1345 -0.0251 -0.0251 -0.0061 -0.0061 0.0853 0.0853 0.0897 0.0897 0.1498 0.1498 0.2471 0.2471 2.2529 2.2529 6.0860 6.0860 7.5919 7.5919 k = 0.3523 0.2034 0.5753 ( 9585 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7717 -14.7717 -14.7627 -14.7627 -14.3573 -14.3573 -13.7738 -13.7738 -13.2225 -13.2225 -13.1594 -13.1594 -13.0968 -13.0968 -12.5056 -12.5056 -12.4098 -12.4098 -11.6527 -11.6527 -11.6487 -11.6487 -6.6425 -6.6425 -3.0644 -3.0644 -2.6490 -2.6490 -2.4598 -2.4598 -1.5265 -1.5265 -1.3698 -1.3698 -1.3367 -1.3367 -1.3135 -1.3135 -1.2917 -1.2917 -1.0373 -1.0373 -0.8284 -0.8284 -0.7727 -0.7727 -0.7682 -0.7682 -0.7258 -0.7258 -0.6119 -0.6119 -0.3985 -0.3985 -0.3795 -0.3795 -0.1543 -0.1543 -0.0109 -0.0109 0.0077 0.0077 0.0733 0.0733 0.0842 0.0842 0.1528 0.1528 0.2515 0.2515 2.2432 2.2432 6.0727 6.0727 7.5713 7.5713 k = 0.3409 0.1968 0.5567 ( 9571 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7710 -14.7710 -14.7631 -14.7631 -14.3573 -14.3573 -13.7762 -13.7762 -13.2278 -13.2278 -13.1587 -13.1587 -13.0916 -13.0916 -12.4970 -12.4970 -12.4156 -12.4156 -11.6519 -11.6519 -11.6493 -11.6493 -6.6466 -6.6466 -3.0765 -3.0765 -2.6568 -2.6568 -2.4497 -2.4497 -1.5102 -1.5102 -1.3971 -1.3971 -1.3528 -1.3528 -1.3145 -1.3145 -1.2990 -1.2990 -1.0119 -1.0119 -0.8238 -0.8238 -0.7835 -0.7835 -0.7624 -0.7624 -0.7016 -0.7016 -0.6202 -0.6202 -0.3791 -0.3791 -0.3648 -0.3648 -0.1737 -0.1737 0.0034 0.0034 0.0196 0.0196 0.0611 0.0611 0.0813 0.0813 0.1561 0.1561 0.2558 0.2558 2.2313 2.2313 6.0582 6.0582 7.5489 7.5489 k = 0.3295 0.1903 0.5381 ( 9571 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7703 -14.7703 -14.7635 -14.7635 -14.3573 -14.3573 -13.7791 -13.7791 -13.2326 -13.2326 -13.1578 -13.1578 -13.0865 -13.0865 -12.4884 -12.4884 -12.4212 -12.4212 -11.6511 -11.6511 -11.6498 -11.6498 -6.6514 -6.6514 -3.0883 -3.0883 -2.6659 -2.6659 -2.4396 -2.4396 -1.4948 -1.4948 -1.4255 -1.4255 -1.3741 -1.3741 -1.3141 -1.3141 -1.3036 -1.3036 -0.9860 -0.9860 -0.8215 -0.8215 -0.7886 -0.7886 -0.7562 -0.7562 -0.6738 -0.6738 -0.6271 -0.6271 -0.3693 -0.3693 -0.3414 -0.3414 -0.1921 -0.1921 0.0159 0.0159 0.0268 0.0268 0.0555 0.0555 0.0790 0.0790 0.1596 0.1596 0.2599 0.2599 2.2169 2.2169 6.0426 6.0426 7.5250 7.5250 k = 0.3182 0.1837 0.5196 ( 9571 PWs) bands (ev): -17.0583 -17.0583 -17.0578 -17.0578 -14.7696 -14.7696 -14.7638 -14.7638 -14.3573 -14.3573 -13.7827 -13.7827 -13.2366 -13.2366 -13.1569 -13.1569 -13.0818 -13.0818 -12.4799 -12.4799 -12.4263 -12.4263 -11.6504 -11.6504 -11.6503 -11.6503 -6.6572 -6.6572 -3.0995 -3.0995 -2.6761 -2.6761 -2.4306 -2.4306 -1.4834 -1.4834 -1.4522 -1.4522 -1.3962 -1.3962 -1.3160 -1.3160 -1.3055 -1.3055 -0.9600 -0.9600 -0.8191 -0.8191 -0.7889 -0.7889 -0.7496 -0.7496 -0.6447 -0.6447 -0.6317 -0.6317 -0.3625 -0.3625 -0.3167 -0.3167 -0.2090 -0.2090 0.0149 0.0149 0.0366 0.0366 0.0610 0.0610 0.0774 0.0774 0.1633 0.1633 0.2638 0.2638 2.2000 2.2000 6.0262 6.0262 7.5000 7.5000 k = 0.3068 0.1771 0.5010 ( 9589 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7689 -14.7689 -14.7642 -14.7642 -14.3573 -14.3573 -13.7870 -13.7870 -13.2397 -13.2397 -13.1559 -13.1559 -13.0776 -13.0776 -12.4715 -12.4715 -12.4309 -12.4309 -11.6509 -11.6509 -11.6495 -11.6495 -6.6638 -6.6638 -3.1099 -3.1099 -2.6870 -2.6870 -2.4238 -2.4238 -1.4914 -1.4914 -1.4644 -1.4644 -1.4169 -1.4169 -1.3178 -1.3178 -1.3056 -1.3056 -0.9344 -0.9344 -0.8146 -0.8146 -0.7858 -0.7858 -0.7428 -0.7428 -0.6380 -0.6380 -0.6105 -0.6105 -0.3577 -0.3577 -0.2925 -0.2925 -0.2233 -0.2233 0.0049 0.0049 0.0509 0.0509 0.0716 0.0716 0.0765 0.0765 0.1671 0.1671 0.2674 0.2674 2.1802 2.1802 6.0092 6.0092 7.4740 7.4740 k = 0.2955 0.1706 0.4825 ( 9581 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7682 -14.7682 -14.7644 -14.7644 -14.3573 -14.3573 -13.7918 -13.7918 -13.2420 -13.2420 -13.1549 -13.1549 -13.0738 -13.0738 -12.4633 -12.4633 -12.4349 -12.4349 -11.6514 -11.6514 -11.6486 -11.6486 -6.6714 -6.6714 -3.1194 -3.1194 -2.6984 -2.6984 -2.4198 -2.4198 -1.5174 -1.5174 -1.4693 -1.4693 -1.4330 -1.4330 -1.3170 -1.3170 -1.3026 -1.3026 -0.9097 -0.9097 -0.8077 -0.8077 -0.7793 -0.7793 -0.7357 -0.7357 -0.6404 -0.6404 -0.5776 -0.5776 -0.3557 -0.3557 -0.2695 -0.2695 -0.2334 -0.2334 -0.0059 -0.0059 0.0658 0.0658 0.0764 0.0764 0.0834 0.0834 0.1711 0.1711 0.2708 0.2708 2.1576 2.1576 5.9918 5.9918 7.4475 7.4475 k = 0.2841 0.1640 0.4639 ( 9575 PWs) bands (ev): -17.0581 -17.0581 -17.0579 -17.0579 -14.7675 -14.7675 -14.7646 -14.7646 -14.3573 -14.3573 -13.7973 -13.7973 -13.2432 -13.2432 -13.1539 -13.1539 -13.0707 -13.0707 -12.4553 -12.4553 -12.4382 -12.4382 -11.6518 -11.6518 -11.6477 -11.6477 -6.6799 -6.6799 -3.1279 -3.1279 -2.7103 -2.7103 -2.4195 -2.4195 -1.5452 -1.5452 -1.4856 -1.4856 -1.4442 -1.4442 -1.3111 -1.3111 -1.2950 -1.2950 -0.8864 -0.8864 -0.8001 -0.8001 -0.7684 -0.7684 -0.7284 -0.7284 -0.6417 -0.6417 -0.5435 -0.5435 -0.3576 -0.3576 -0.2512 -0.2512 -0.2349 -0.2349 -0.0158 -0.0158 0.0763 0.0763 0.0814 0.0814 0.0953 0.0953 0.1753 0.1753 0.2739 0.2739 2.1320 2.1320 5.9742 5.9742 7.4205 7.4205 k = 0.2727 0.1575 0.4454 ( 9571 PWs) bands (ev): -17.0581 -17.0581 -17.0579 -17.0579 -14.7668 -14.7668 -14.7648 -14.7648 -14.3573 -14.3573 -13.8034 -13.8034 -13.2435 -13.2435 -13.1528 -13.1528 -13.0683 -13.0683 -12.4476 -12.4476 -12.4407 -12.4407 -11.6522 -11.6522 -11.6468 -11.6468 -6.6893 -6.6893 -3.1353 -3.1353 -2.7223 -2.7223 -2.4233 -2.4233 -1.5728 -1.5728 -1.5082 -1.5082 -1.4581 -1.4581 -1.2993 -1.2993 -1.2818 -1.2818 -0.8647 -0.8647 -0.7927 -0.7927 -0.7528 -0.7528 -0.7208 -0.7208 -0.6416 -0.6416 -0.5087 -0.5087 -0.3638 -0.3638 -0.2455 -0.2455 -0.2193 -0.2193 -0.0240 -0.0240 0.0781 0.0781 0.0958 0.0958 0.1070 0.1070 0.1795 0.1795 0.2769 0.2769 2.1034 2.1034 5.9566 5.9566 7.3935 7.3935 k = 0.2614 0.1509 0.4268 ( 9577 PWs) bands (ev): -17.0580 -17.0580 -17.0579 -17.0579 -14.7662 -14.7662 -14.7649 -14.7649 -14.3573 -14.3573 -13.8101 -13.8101 -13.2428 -13.2428 -13.1518 -13.1518 -13.0667 -13.0667 -12.4423 -12.4423 -12.4401 -12.4401 -11.6526 -11.6526 -11.6459 -11.6459 -6.6996 -6.6996 -3.1415 -3.1415 -2.7344 -2.7344 -2.4314 -2.4314 -1.6000 -1.6000 -1.5331 -1.5331 -1.4773 -1.4773 -1.2822 -1.2822 -1.2632 -1.2632 -0.8450 -0.8450 -0.7854 -0.7854 -0.7336 -0.7336 -0.7131 -0.7131 -0.6403 -0.6403 -0.4734 -0.4734 -0.3738 -0.3738 -0.2409 -0.2409 -0.1989 -0.1989 -0.0300 -0.0300 0.0804 0.0804 0.1103 0.1103 0.1183 0.1183 0.1838 0.1838 0.2795 0.2795 2.0719 2.0719 5.9390 5.9390 7.3665 7.3665 k = 0.2500 0.1443 0.4082 ( 9583 PWs) bands (ev): -17.0580 -17.0580 -17.0579 -17.0579 -14.7656 -14.7656 -14.7649 -14.7649 -14.3573 -14.3573 -13.8172 -13.8172 -13.2412 -13.2412 -13.1507 -13.1507 -13.0659 -13.0659 -12.4430 -12.4430 -12.4331 -12.4331 -11.6529 -11.6529 -11.6451 -11.6451 -6.7108 -6.7108 -3.1467 -3.1467 -2.7464 -2.7464 -2.4438 -2.4438 -1.6265 -1.6265 -1.5589 -1.5589 -1.5005 -1.5005 -1.2610 -1.2610 -1.2397 -1.2397 -0.8276 -0.8276 -0.7772 -0.7772 -0.7126 -0.7126 -0.7049 -0.7049 -0.6378 -0.6378 -0.4380 -0.4380 -0.3862 -0.3862 -0.2333 -0.2333 -0.1786 -0.1786 -0.0334 -0.0334 0.0835 0.0835 0.1245 0.1245 0.1293 0.1293 0.1881 0.1881 0.2820 0.2820 2.0375 2.0375 5.9216 5.9216 7.3398 7.3398 k = 0.2386 0.1378 0.3897 ( 9569 PWs) bands (ev): -17.0579 -17.0579 -17.0578 -17.0578 -14.7651 -14.7651 -14.7647 -14.7647 -14.3573 -14.3573 -13.8248 -13.8248 -13.2387 -13.2387 -13.1497 -13.1497 -13.0659 -13.0659 -12.4427 -12.4427 -12.4263 -12.4263 -11.6532 -11.6532 -11.6442 -11.6442 -6.7228 -6.7228 -3.1509 -3.1509 -2.7582 -2.7582 -2.4601 -2.4601 -1.6522 -1.6522 -1.5851 -1.5851 -1.5264 -1.5264 -1.2367 -1.2367 -1.2120 -1.2120 -0.8130 -0.8130 -0.7674 -0.7674 -0.6984 -0.6984 -0.6888 -0.6888 -0.6343 -0.6343 -0.4046 -0.4046 -0.3982 -0.3982 -0.2235 -0.2235 -0.1589 -0.1589 -0.0340 -0.0340 0.0874 0.0874 0.1383 0.1383 0.1399 0.1399 0.1925 0.1925 0.2842 0.2842 2.0002 2.0002 5.9043 5.9043 7.3137 7.3137 k = 0.2273 0.1312 0.3711 ( 9569 PWs) bands (ev): -17.0579 -17.0579 -17.0578 -17.0578 -14.7650 -14.7650 -14.7642 -14.7642 -14.3573 -14.3573 -13.8327 -13.8327 -13.2354 -13.2354 -13.1487 -13.1487 -13.0668 -13.0668 -12.4415 -12.4415 -12.4199 -12.4199 -11.6534 -11.6534 -11.6433 -11.6433 -6.7355 -6.7355 -3.1542 -3.1542 -2.7696 -2.7696 -2.4799 -2.4799 -1.6771 -1.6771 -1.6116 -1.6116 -1.5537 -1.5537 -1.2100 -1.2100 -1.1808 -1.1808 -0.8012 -0.8012 -0.7558 -0.7558 -0.6902 -0.6902 -0.6665 -0.6665 -0.6297 -0.6297 -0.4152 -0.4152 -0.3672 -0.3672 -0.2120 -0.2120 -0.1400 -0.1400 -0.0316 -0.0316 0.0921 0.0921 0.1498 0.1498 0.1518 0.1518 0.1969 0.1969 0.2862 0.2862 1.9603 1.9603 5.8872 5.8872 7.2882 7.2882 k = 0.2159 0.1247 0.3526 ( 9575 PWs) bands (ev): -17.0579 -17.0579 -17.0577 -17.0577 -14.7648 -14.7648 -14.7637 -14.7637 -14.3573 -14.3573 -13.8409 -13.8409 -13.2314 -13.2314 -13.1477 -13.1477 -13.0684 -13.0684 -12.4395 -12.4395 -12.4138 -12.4138 -11.6535 -11.6535 -11.6424 -11.6424 -6.7488 -6.7488 -3.1568 -3.1568 -2.7805 -2.7805 -2.5027 -2.5027 -1.7011 -1.7011 -1.6380 -1.6380 -1.5817 -1.5817 -1.1815 -1.1815 -1.1467 -1.1467 -0.7918 -0.7918 -0.7428 -0.7428 -0.6823 -0.6823 -0.6444 -0.6444 -0.6243 -0.6243 -0.4298 -0.4298 -0.3328 -0.3328 -0.1991 -0.1991 -0.1220 -0.1220 -0.0259 -0.0259 0.0977 0.0977 0.1596 0.1596 0.1646 0.1646 0.2012 0.2012 0.2881 0.2881 1.9180 1.9180 5.8703 5.8703 7.2637 7.2637 k = 0.2045 0.1181 0.3340 ( 9565 PWs) bands (ev): -17.0579 -17.0579 -17.0577 -17.0577 -14.7646 -14.7646 -14.7632 -14.7632 -14.3573 -14.3573 -13.8493 -13.8493 -13.2268 -13.2268 -13.1467 -13.1467 -13.0708 -13.0708 -12.4366 -12.4366 -12.4081 -12.4081 -11.6536 -11.6536 -11.6415 -11.6415 -6.7626 -6.7626 -3.1589 -3.1589 -2.7908 -2.7908 -2.5277 -2.5277 -1.7241 -1.7241 -1.6643 -1.6643 -1.6098 -1.6098 -1.1519 -1.1519 -1.1101 -1.1101 -0.7837 -0.7837 -0.7295 -0.7295 -0.6744 -0.6744 -0.6231 -0.6231 -0.6181 -0.6181 -0.4443 -0.4443 -0.2993 -0.2993 -0.1850 -0.1850 -0.1048 -0.1048 -0.0172 -0.0172 0.1040 0.1040 0.1688 0.1688 0.1769 0.1769 0.2055 0.2055 0.2897 0.2897 1.8734 1.8734 5.8535 5.8535 7.2402 7.2402 k = 0.1932 0.1115 0.3155 ( 9555 PWs) bands (ev): -17.0579 -17.0579 -17.0577 -17.0577 -14.7644 -14.7644 -14.7627 -14.7627 -14.3573 -14.3573 -13.8577 -13.8577 -13.2217 -13.2217 -13.1458 -13.1458 -13.0738 -13.0738 -12.4329 -12.4329 -12.4028 -12.4028 -11.6536 -11.6536 -11.6407 -11.6407 -6.7768 -6.7768 -3.1606 -3.1606 -2.8004 -2.8004 -2.5543 -2.5543 -1.7463 -1.7463 -1.6902 -1.6902 -1.6374 -1.6374 -1.1217 -1.1217 -1.0718 -1.0718 -0.7764 -0.7764 -0.7164 -0.7164 -0.6666 -0.6666 -0.6112 -0.6112 -0.6028 -0.6028 -0.4583 -0.4583 -0.2670 -0.2670 -0.1700 -0.1700 -0.0885 -0.0885 -0.0053 -0.0053 0.1110 0.1110 0.1776 0.1776 0.1887 0.1887 0.2097 0.2097 0.2912 0.2912 1.8268 1.8268 5.8366 5.8366 7.2179 7.2179 k = 0.1818 0.1050 0.2969 ( 9553 PWs) bands (ev): -17.0578 -17.0578 -17.0576 -17.0576 -14.7641 -14.7641 -14.7622 -14.7622 -14.3573 -14.3573 -13.8661 -13.8661 -13.2162 -13.2162 -13.1448 -13.1448 -13.0773 -13.0773 -12.4286 -12.4286 -12.3978 -12.3978 -11.6536 -11.6536 -11.6398 -11.6398 -6.7912 -6.7912 -3.1622 -3.1622 -2.8093 -2.8093 -2.5819 -2.5819 -1.7674 -1.7674 -1.7156 -1.7156 -1.6644 -1.6644 -1.0913 -1.0913 -1.0326 -1.0326 -0.7694 -0.7694 -0.7040 -0.7040 -0.6588 -0.6588 -0.6036 -0.6036 -0.5836 -0.5836 -0.4717 -0.4717 -0.2364 -0.2364 -0.1538 -0.1538 -0.0731 -0.0731 0.0094 0.0094 0.1187 0.1187 0.1858 0.1858 0.1998 0.1998 0.2139 0.2139 0.2926 0.2926 1.7786 1.7786 5.8198 5.8198 7.1969 7.1969 k = 0.1705 0.0984 0.2784 ( 9569 PWs) bands (ev): -17.0578 -17.0578 -17.0576 -17.0576 -14.7638 -14.7638 -14.7618 -14.7618 -14.3573 -14.3573 -13.8745 -13.8745 -13.2105 -13.2105 -13.1439 -13.1439 -13.0814 -13.0814 -12.4238 -12.4238 -12.3932 -12.3932 -11.6535 -11.6535 -11.6390 -11.6390 -6.8057 -6.8057 -3.1637 -3.1637 -2.8173 -2.8173 -2.6099 -2.6099 -1.7874 -1.7874 -1.7403 -1.7403 -1.6904 -1.6904 -1.0610 -1.0610 -0.9932 -0.9932 -0.7625 -0.7625 -0.6925 -0.6925 -0.6511 -0.6511 -0.5954 -0.5954 -0.5657 -0.5657 -0.4843 -0.4843 -0.2078 -0.2078 -0.1366 -0.1366 -0.0585 -0.0585 0.0266 0.0266 0.1271 0.1271 0.1936 0.1936 0.2103 0.2103 0.2179 0.2179 0.2939 0.2939 1.7291 1.7291 5.8029 5.8029 7.1774 7.1774 k = 0.1591 0.0919 0.2598 ( 9573 PWs) bands (ev): -17.0578 -17.0578 -17.0576 -17.0576 -14.7634 -14.7634 -14.7614 -14.7614 -14.3573 -14.3573 -13.8826 -13.8826 -13.2047 -13.2047 -13.1430 -13.1430 -13.0857 -13.0857 -12.4186 -12.4186 -12.3890 -12.3890 -11.6535 -11.6535 -11.6382 -11.6382 -6.8201 -6.8201 -3.1655 -3.1655 -2.8243 -2.8243 -2.6377 -2.6377 -1.8065 -1.8065 -1.7643 -1.7643 -1.7152 -1.7152 -1.0310 -1.0310 -0.9544 -0.9544 -0.7554 -0.7554 -0.6820 -0.6820 -0.6436 -0.6436 -0.5866 -0.5866 -0.5491 -0.5491 -0.4959 -0.4959 -0.1816 -0.1816 -0.1183 -0.1183 -0.0447 -0.0447 0.0459 0.0459 0.1362 0.1362 0.2009 0.2009 0.2201 0.2201 0.2218 0.2218 0.2952 0.2952 1.6787 1.6787 5.7860 5.7860 7.1595 7.1595 k = 0.1477 0.0853 0.2412 ( 9559 PWs) bands (ev): -17.0577 -17.0577 -17.0575 -17.0575 -14.7630 -14.7630 -14.7611 -14.7611 -14.3573 -14.3573 -13.8906 -13.8906 -13.1988 -13.1988 -13.1420 -13.1420 -13.0903 -13.0903 -12.4130 -12.4130 -12.3851 -12.3851 -11.6533 -11.6533 -11.6374 -11.6374 -6.8344 -6.8344 -3.1676 -3.1676 -2.8305 -2.8305 -2.6649 -2.6649 -1.8244 -1.8244 -1.7872 -1.7872 -1.7386 -1.7386 -1.0019 -1.0019 -0.9171 -0.9171 -0.7482 -0.7482 -0.6724 -0.6724 -0.6363 -0.6363 -0.5772 -0.5772 -0.5336 -0.5336 -0.5063 -0.5063 -0.1579 -0.1579 -0.0990 -0.0990 -0.0318 -0.0318 0.0669 0.0669 0.1458 0.1458 0.2077 0.2077 0.2255 0.2255 0.2292 0.2292 0.2963 0.2963 1.6277 1.6277 5.7689 5.7689 7.1431 7.1431 k = 0.1364 0.0787 0.2227 ( 9551 PWs) bands (ev): -17.0577 -17.0577 -17.0575 -17.0575 -14.7626 -14.7626 -14.7608 -14.7608 -14.3573 -14.3573 -13.8982 -13.8982 -13.1932 -13.1932 -13.1410 -13.1410 -13.0949 -13.0949 -12.4073 -12.4073 -12.3815 -12.3815 -11.6532 -11.6532 -11.6367 -11.6367 -6.8483 -6.8483 -3.1702 -3.1702 -2.8357 -2.8357 -2.6911 -2.6911 -1.8413 -1.8413 -1.8090 -1.8090 -1.7606 -1.7606 -0.9739 -0.9739 -0.8819 -0.8819 -0.7406 -0.7406 -0.6636 -0.6636 -0.6294 -0.6294 -0.5674 -0.5674 -0.5194 -0.5194 -0.5151 -0.5151 -0.1367 -0.1367 -0.0792 -0.0792 -0.0196 -0.0196 0.0890 0.0890 0.1559 0.1559 0.2140 0.2140 0.2290 0.2290 0.2377 0.2377 0.2975 0.2975 1.5767 1.5767 5.7519 5.7519 7.1284 7.1284 k = 0.1250 0.0722 0.2041 ( 9559 PWs) bands (ev): -17.0576 -17.0576 -17.0575 -17.0575 -14.7622 -14.7622 -14.7605 -14.7605 -14.3573 -14.3573 -13.9054 -13.9054 -13.1879 -13.1879 -13.1399 -13.1399 -13.0996 -13.0996 -12.4015 -12.4015 -12.3784 -12.3784 -11.6530 -11.6530 -11.6360 -11.6360 -6.8618 -6.8618 -3.1732 -3.1732 -2.8400 -2.8400 -2.7159 -2.7159 -1.8570 -1.8570 -1.8296 -1.8296 -1.7811 -1.7811 -0.9475 -0.9475 -0.8494 -0.8494 -0.7328 -0.7328 -0.6557 -0.6557 -0.6231 -0.6231 -0.5576 -0.5576 -0.5217 -0.5217 -0.5063 -0.5063 -0.1176 -0.1176 -0.0595 -0.0595 -0.0082 -0.0082 0.1118 0.1118 0.1665 0.1665 0.2197 0.2197 0.2324 0.2324 0.2454 0.2454 0.2987 0.2987 1.5262 1.5262 5.7349 5.7349 7.1153 7.1153 k = 0.1136 0.0656 0.1856 ( 9549 PWs) bands (ev): -17.0576 -17.0576 -17.0575 -17.0575 -14.7618 -14.7618 -14.7602 -14.7602 -14.3573 -14.3573 -13.9121 -13.9121 -13.1830 -13.1830 -13.1388 -13.1388 -13.1040 -13.1040 -12.3958 -12.3958 -12.3755 -12.3755 -11.6528 -11.6528 -11.6354 -11.6354 -6.8746 -6.8746 -3.1766 -3.1766 -2.8434 -2.8434 -2.7390 -2.7390 -1.8715 -1.8715 -1.8487 -1.8487 -1.7999 -1.7999 -0.9230 -0.9230 -0.8197 -0.8197 -0.7248 -0.7248 -0.6484 -0.6484 -0.6176 -0.6176 -0.5499 -0.5499 -0.5239 -0.5239 -0.4946 -0.4946 -0.1002 -0.1002 -0.0406 -0.0406 0.0025 0.0025 0.1347 0.1347 0.1773 0.1773 0.2250 0.2250 0.2355 0.2355 0.2525 0.2525 0.3000 0.3000 1.4766 1.4766 5.7181 5.7181 7.1038 7.1038 k = 0.1023 0.0590 0.1670 ( 9561 PWs) bands (ev): -17.0576 -17.0576 -17.0574 -17.0574 -14.7613 -14.7613 -14.7600 -14.7600 -14.3574 -14.3574 -13.9184 -13.9184 -13.1787 -13.1787 -13.1375 -13.1375 -13.1082 -13.1082 -12.3903 -12.3903 -12.3730 -12.3730 -11.6526 -11.6526 -11.6347 -11.6347 -6.8866 -6.8866 -3.1805 -3.1805 -2.8460 -2.8460 -2.7602 -2.7602 -1.8849 -1.8849 -1.8664 -1.8664 -1.8170 -1.8170 -0.9011 -0.9011 -0.7930 -0.7930 -0.7168 -0.7168 -0.6418 -0.6418 -0.6131 -0.6131 -0.5472 -0.5472 -0.5188 -0.5188 -0.4840 -0.4840 -0.0843 -0.0843 -0.0228 -0.0228 0.0124 0.0124 0.1572 0.1572 0.1882 0.1882 0.2297 0.2297 0.2384 0.2384 0.2591 0.2591 0.3013 0.3013 1.4285 1.4285 5.7018 5.7018 7.0939 7.0939 k = 0.0909 0.0525 0.1485 ( 9557 PWs) bands (ev): -17.0575 -17.0575 -17.0574 -17.0574 -14.7609 -14.7609 -14.7598 -14.7598 -14.3574 -14.3574 -13.9242 -13.9242 -13.1751 -13.1751 -13.1360 -13.1360 -13.1121 -13.1121 -12.3850 -12.3850 -12.3707 -12.3707 -11.6524 -11.6524 -11.6342 -11.6342 -6.8978 -6.8978 -3.1846 -3.1846 -2.8480 -2.8480 -2.7793 -2.7793 -1.8970 -1.8970 -1.8825 -1.8825 -1.8323 -1.8323 -0.8818 -0.8818 -0.7692 -0.7692 -0.7090 -0.7090 -0.6356 -0.6356 -0.6098 -0.6098 -0.5480 -0.5480 -0.5082 -0.5082 -0.4747 -0.4747 -0.0699 -0.0699 -0.0065 -0.0065 0.0215 0.0215 0.1787 0.1787 0.1989 0.1989 0.2340 0.2340 0.2411 0.2411 0.2652 0.2652 0.3026 0.3026 1.3826 1.3826 5.6861 5.6861 7.0855 7.0855 k = 0.0795 0.0459 0.1299 ( 9567 PWs) bands (ev): -17.0575 -17.0575 -17.0574 -17.0574 -14.7606 -14.7606 -14.7597 -14.7597 -14.3574 -14.3574 -13.9293 -13.9293 -13.1722 -13.1722 -13.1344 -13.1344 -13.1155 -13.1155 -12.3802 -12.3802 -12.3688 -12.3688 -11.6522 -11.6522 -11.6337 -11.6337 -6.9079 -6.9079 -3.1889 -3.1889 -2.8493 -2.8493 -2.7963 -2.7963 -1.9079 -1.9079 -1.8968 -1.8968 -1.8459 -1.8459 -0.8655 -0.8655 -0.7481 -0.7481 -0.7017 -0.7017 -0.6299 -0.6299 -0.6075 -0.6075 -0.5489 -0.5489 -0.4958 -0.4958 -0.4666 -0.4666 -0.0569 -0.0569 0.0081 0.0081 0.0298 0.0298 0.1985 0.1985 0.2093 0.2093 0.2377 0.2377 0.2436 0.2436 0.2711 0.2711 0.3040 0.3040 1.3395 1.3395 5.6712 5.6712 7.0784 7.0784 k = 0.0682 0.0394 0.1113 ( 9563 PWs) bands (ev): -17.0575 -17.0575 -17.0574 -17.0574 -14.7602 -14.7602 -14.7595 -14.7595 -14.3574 -14.3574 -13.9339 -13.9339 -13.1701 -13.1701 -13.1326 -13.1326 -13.1184 -13.1184 -12.3758 -12.3758 -12.3672 -12.3672 -11.6520 -11.6520 -11.6333 -11.6333 -6.9169 -6.9169 -3.1932 -3.1932 -2.8503 -2.8503 -2.8110 -2.8110 -1.9175 -1.9175 -1.9094 -1.9094 -1.8576 -1.8576 -0.8521 -0.8521 -0.7296 -0.7296 -0.6952 -0.6952 -0.6246 -0.6246 -0.6063 -0.6063 -0.5491 -0.5491 -0.4834 -0.4834 -0.4598 -0.4598 -0.0455 -0.0455 0.0210 0.0210 0.0372 0.0372 0.2159 0.2159 0.2191 0.2191 0.2409 0.2409 0.2458 0.2458 0.2773 0.2773 0.3054 0.3054 1.2999 1.2999 5.6576 5.6576 7.0727 7.0727 k = 0.0568 0.0328 0.0928 ( 9555 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7599 -14.7599 -14.7594 -14.7594 -14.3574 -14.3574 -13.9377 -13.9377 -13.1686 -13.1686 -13.1309 -13.1309 -13.1208 -13.1208 -12.3720 -12.3720 -12.3658 -12.3658 -11.6519 -11.6519 -11.6329 -11.6329 -6.9247 -6.9247 -3.1972 -3.1972 -2.8508 -2.8508 -2.8234 -2.8234 -1.9257 -1.9257 -1.9201 -1.9201 -1.8675 -1.8675 -0.8413 -0.8413 -0.7137 -0.7137 -0.6897 -0.6897 -0.6197 -0.6197 -0.6057 -0.6057 -0.5486 -0.5486 -0.4719 -0.4719 -0.4542 -0.4542 -0.0358 -0.0358 0.0322 0.0322 0.0437 0.0437 0.2277 0.2277 0.2302 0.2302 0.2437 0.2437 0.2477 0.2477 0.2839 0.2839 0.3068 0.3068 1.2645 1.2645 5.6455 5.6455 7.0681 7.0681 k = 0.0455 0.0262 0.0742 ( 9549 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7597 -14.7597 -14.7593 -14.7593 -14.3574 -14.3574 -13.9410 -13.9410 -13.1677 -13.1677 -13.1292 -13.1292 -13.1227 -13.1227 -12.3687 -12.3687 -12.3647 -12.3647 -11.6517 -11.6517 -11.6326 -11.6326 -6.9312 -6.9312 -3.2008 -3.2008 -2.8511 -2.8511 -2.8335 -2.8335 -1.9325 -1.9325 -1.9290 -1.9290 -1.8756 -1.8756 -0.8331 -0.8331 -0.7006 -0.7006 -0.6852 -0.6852 -0.6152 -0.6152 -0.6056 -0.6056 -0.5474 -0.5474 -0.4617 -0.4617 -0.4498 -0.4498 -0.0278 -0.0278 0.0416 0.0416 0.0491 0.0491 0.2351 0.2351 0.2405 0.2405 0.2463 0.2463 0.2494 0.2494 0.2912 0.2912 0.3080 0.3080 1.2342 1.2342 5.6351 5.6351 7.0645 7.0645 k = 0.0341 0.0197 0.0557 ( 9561 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7595 -14.7595 -14.7593 -14.7593 -14.3574 -14.3574 -13.9435 -13.9435 -13.1672 -13.1672 -13.1278 -13.1278 -13.1241 -13.1241 -12.3661 -12.3661 -12.3639 -12.3639 -11.6516 -11.6516 -11.6323 -11.6323 -6.9363 -6.9363 -3.2038 -3.2038 -2.8513 -2.8513 -2.8413 -2.8413 -1.9379 -1.9379 -1.9359 -1.9359 -1.8819 -1.8819 -0.8270 -0.8270 -0.6905 -0.6905 -0.6818 -0.6818 -0.6114 -0.6114 -0.6056 -0.6056 -0.5461 -0.5461 -0.4535 -0.4535 -0.4465 -0.4465 -0.0217 -0.0217 0.0491 0.0491 0.0534 0.0534 0.2408 0.2408 0.2466 0.2466 0.2492 0.2492 0.2509 0.2509 0.2985 0.2985 0.3090 0.3090 1.2096 1.2096 5.6267 5.6267 7.0619 7.0619 k = 0.0227 0.0131 0.0371 ( 9545 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7593 -14.7593 -14.7592 -14.7592 -14.3574 -14.3574 -13.9453 -13.9453 -13.1670 -13.1670 -13.1267 -13.1267 -13.1251 -13.1251 -12.3643 -12.3643 -12.3632 -12.3632 -11.6515 -11.6515 -11.6321 -11.6321 -6.9400 -6.9400 -3.2061 -3.2061 -2.8514 -2.8514 -2.8469 -2.8469 -1.9418 -1.9418 -1.9409 -1.9409 -1.8864 -1.8864 -0.8228 -0.8228 -0.6833 -0.6833 -0.6795 -0.6795 -0.6084 -0.6084 -0.6057 -0.6057 -0.5448 -0.5448 -0.4474 -0.4474 -0.4442 -0.4442 -0.0173 -0.0173 0.0546 0.0546 0.0565 0.0565 0.2444 0.2444 0.2497 0.2497 0.2515 0.2515 0.2530 0.2530 0.3048 0.3048 0.3098 0.3098 1.1915 1.1915 5.6205 5.6205 7.0602 7.0602 k = 0.0114 0.0066 0.0186 ( 9571 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7592 -14.7592 -14.7592 -14.7592 -14.3574 -14.3574 -13.9464 -13.9464 -13.1669 -13.1669 -13.1261 -13.1261 -13.1256 -13.1256 -12.3631 -12.3631 -12.3629 -12.3629 -11.6515 -11.6515 -11.6320 -11.6320 -6.9423 -6.9423 -3.2075 -3.2075 -2.8514 -2.8514 -2.8503 -2.8503 -1.9441 -1.9441 -1.9439 -1.9439 -1.8891 -1.8891 -0.8204 -0.8204 -0.6790 -0.6790 -0.6781 -0.6781 -0.6065 -0.6065 -0.6058 -0.6058 -0.5440 -0.5440 -0.4437 -0.4437 -0.4429 -0.4429 -0.0147 -0.0147 0.0579 0.0579 0.0584 0.0584 0.2461 0.2461 0.2517 0.2517 0.2522 0.2522 0.2550 0.2550 0.3090 0.3090 0.3103 0.3103 1.1803 1.1803 5.6167 5.6167 7.0591 7.0592 k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7592 -14.7592 -14.7592 -14.7592 -14.3574 -14.3574 -13.9467 -13.9467 -13.1669 -13.1669 -13.1258 -13.1258 -13.1258 -13.1258 -12.3628 -12.3628 -12.3628 -12.3628 -11.6514 -11.6514 -11.6320 -11.6320 -6.9430 -6.9430 -3.2079 -3.2079 -2.8514 -2.8514 -2.8514 -2.8514 -1.9449 -1.9449 -1.9449 -1.9449 -1.8899 -1.8899 -0.8196 -0.8196 -0.6776 -0.6776 -0.6776 -0.6776 -0.6058 -0.6058 -0.6058 -0.6058 -0.5437 -0.5437 -0.4424 -0.4424 -0.4424 -0.4424 -0.0138 -0.0138 0.0591 0.0591 0.0591 0.0591 0.2466 0.2466 0.2524 0.2524 0.2524 0.2524 0.2556 0.2556 0.3104 0.3104 0.3104 0.3104 1.1766 1.1766 5.6155 5.6155 7.0588 7.0588 k = 0.0000 0.0000 0.0000 ( 9577 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7592 -14.7592 -14.7592 -14.7592 -14.3574 -14.3574 -13.9467 -13.9467 -13.1669 -13.1669 -13.1258 -13.1258 -13.1258 -13.1258 -12.3628 -12.3628 -12.3628 -12.3628 -11.6514 -11.6514 -11.6320 -11.6320 -6.9430 -6.9430 -3.2079 -3.2079 -2.8514 -2.8514 -2.8514 -2.8514 -1.9449 -1.9449 -1.9449 -1.9449 -1.8899 -1.8899 -0.8196 -0.8196 -0.6776 -0.6776 -0.6776 -0.6776 -0.6058 -0.6058 -0.6058 -0.6058 -0.5437 -0.5437 -0.4424 -0.4424 -0.4424 -0.4424 -0.0138 -0.0138 0.0591 0.0591 0.0591 0.0591 0.2466 0.2466 0.2524 0.2524 0.2524 0.2524 0.2556 0.2556 0.3104 0.3104 0.3104 0.3104 1.1766 1.1766 5.6155 5.6155 7.0588 7.0588 k = 0.0185 0.0107 0.0076 ( 9571 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7592 -14.7592 -14.7592 -14.7592 -14.3574 -14.3574 -13.9464 -13.9464 -13.1669 -13.1669 -13.1261 -13.1261 -13.1256 -13.1256 -12.3630 -12.3630 -12.3630 -12.3630 -11.6515 -11.6515 -11.6320 -11.6320 -6.9423 -6.9423 -3.2075 -3.2075 -2.8515 -2.8515 -2.8502 -2.8502 -1.9441 -1.9441 -1.9439 -1.9439 -1.8891 -1.8891 -0.8204 -0.8204 -0.6789 -0.6789 -0.6782 -0.6782 -0.6065 -0.6065 -0.6057 -0.6057 -0.5440 -0.5440 -0.4433 -0.4433 -0.4433 -0.4433 -0.0147 -0.0147 0.0581 0.0581 0.0583 0.0583 0.2461 0.2461 0.2516 0.2516 0.2522 0.2522 0.2550 0.2550 0.3089 0.3089 0.3103 0.3103 1.1803 1.1803 5.6167 5.6167 7.0590 7.0590 k = 0.0370 0.0214 0.0151 ( 9547 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7593 -14.7593 -14.7593 -14.7593 -14.3574 -14.3574 -13.9453 -13.9453 -13.1670 -13.1670 -13.1268 -13.1268 -13.1250 -13.1250 -12.3638 -12.3638 -12.3638 -12.3638 -11.6515 -11.6515 -11.6321 -11.6321 -6.9400 -6.9400 -3.2061 -3.2061 -2.8517 -2.8517 -2.8466 -2.8466 -1.9417 -1.9417 -1.9410 -1.9410 -1.8864 -1.8864 -0.8228 -0.8228 -0.6828 -0.6828 -0.6800 -0.6800 -0.6085 -0.6085 -0.6056 -0.6056 -0.5448 -0.5448 -0.4458 -0.4458 -0.4457 -0.4457 -0.0173 -0.0173 0.0552 0.0552 0.0560 0.0560 0.2444 0.2444 0.2496 0.2496 0.2517 0.2517 0.2529 0.2529 0.3047 0.3047 0.3100 0.3100 1.1914 1.1914 5.6205 5.6205 7.0595 7.0595 k = 0.0556 0.0321 0.0227 ( 9547 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7594 -14.7594 -14.7594 -14.7594 -14.3574 -14.3574 -13.9435 -13.9435 -13.1673 -13.1673 -13.1280 -13.1280 -13.1239 -13.1239 -12.3650 -12.3650 -12.3650 -12.3650 -11.6516 -11.6516 -11.6323 -11.6323 -6.9363 -6.9363 -3.2039 -3.2039 -2.8519 -2.8519 -2.8407 -2.8407 -1.9378 -1.9378 -1.9361 -1.9361 -1.8819 -1.8819 -0.8269 -0.8269 -0.6892 -0.6892 -0.6834 -0.6834 -0.6116 -0.6116 -0.6054 -0.6054 -0.5459 -0.5459 -0.4500 -0.4500 -0.4499 -0.4499 -0.0215 -0.0215 0.0504 0.0504 0.0522 0.0522 0.2405 0.2405 0.2468 0.2468 0.2493 0.2493 0.2509 0.2509 0.2984 0.2984 0.3094 0.3094 1.2094 1.2094 5.6266 5.6266 7.0604 7.0604 k = 0.0741 0.0428 0.0302 ( 9546 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7595 -14.7595 -14.7595 -14.7595 -14.3574 -14.3574 -13.9410 -13.9410 -13.1680 -13.1680 -13.1293 -13.1293 -13.1224 -13.1224 -12.3667 -12.3667 -12.3667 -12.3667 -11.6517 -11.6517 -11.6326 -11.6326 -6.9313 -6.9313 -3.2010 -3.2010 -2.8521 -2.8521 -2.8324 -2.8324 -1.9323 -1.9323 -1.9294 -1.9294 -1.8757 -1.8757 -0.8328 -0.8328 -0.6979 -0.6979 -0.6890 -0.6890 -0.6151 -0.6151 -0.6054 -0.6054 -0.5470 -0.5470 -0.4557 -0.4557 -0.4556 -0.4556 -0.0275 -0.0275 0.0439 0.0439 0.0470 0.0470 0.2339 0.2339 0.2408 0.2408 0.2462 0.2462 0.2498 0.2498 0.2914 0.2914 0.3087 0.3087 1.2338 1.2338 5.6348 5.6348 7.0619 7.0619 k = 0.0926 0.0535 0.0378 ( 9561 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7597 -14.7597 -14.7596 -14.7596 -14.3574 -14.3574 -13.9378 -13.9378 -13.1693 -13.1693 -13.1305 -13.1305 -13.1205 -13.1205 -12.3689 -12.3689 -12.3688 -12.3688 -11.6518 -11.6518 -11.6329 -11.6329 -6.9248 -6.9248 -3.1977 -3.1977 -2.8520 -2.8520 -2.8219 -2.8219 -1.9252 -1.9252 -1.9208 -1.9208 -1.8677 -1.8677 -0.8406 -0.8406 -0.7090 -0.7090 -0.6974 -0.6974 -0.6186 -0.6186 -0.6059 -0.6059 -0.5474 -0.5474 -0.4629 -0.4629 -0.4629 -0.4629 -0.0350 -0.0350 0.0356 0.0356 0.0405 0.0405 0.2244 0.2244 0.2309 0.2309 0.2440 0.2440 0.2485 0.2485 0.2850 0.2850 0.3077 0.3077 1.2639 1.2639 5.6449 5.6449 7.0641 7.0641 k = 0.1111 0.0642 0.0454 ( 9567 PWs) bands (ev): -17.0574 -17.0574 -17.0574 -17.0574 -14.7599 -14.7599 -14.7598 -14.7598 -14.3574 -14.3574 -13.9339 -13.9339 -13.1715 -13.1715 -13.1313 -13.1313 -13.1183 -13.1183 -12.3715 -12.3715 -12.3714 -12.3714 -11.6520 -11.6520 -11.6333 -11.6333 -6.9171 -6.9171 -3.1942 -3.1942 -2.8513 -2.8513 -2.8092 -2.8092 -1.9167 -1.9167 -1.9104 -1.9104 -1.8578 -1.8578 -0.8503 -0.8503 -0.7222 -0.7222 -0.7090 -0.7090 -0.6218 -0.6218 -0.6072 -0.6072 -0.5467 -0.5467 -0.4716 -0.4716 -0.4712 -0.4712 -0.0439 -0.0439 0.0259 0.0259 0.0328 0.0328 0.2108 0.2108 0.2190 0.2190 0.2419 0.2419 0.2470 0.2470 0.2798 0.2798 0.3064 0.3064 1.2989 1.2989 5.6565 5.6565 7.0673 7.0673 k = 0.1296 0.0748 0.0529 ( 9582 PWs) bands (ev): -17.0575 -17.0575 -17.0574 -17.0574 -14.7602 -14.7602 -14.7601 -14.7601 -14.3574 -14.3574 -13.9294 -13.9294 -13.1749 -13.1749 -13.1315 -13.1315 -13.1156 -13.1156 -12.3745 -12.3745 -12.3744 -12.3744 -11.6522 -11.6522 -11.6337 -11.6337 -6.9082 -6.9082 -3.1909 -3.1909 -2.8498 -2.8498 -2.7943 -2.7943 -1.9067 -1.9067 -1.8984 -1.8984 -1.8461 -1.8461 -0.8621 -0.8621 -0.7377 -0.7377 -0.7240 -0.7240 -0.6249 -0.6249 -0.6093 -0.6093 -0.5447 -0.5447 -0.4814 -0.4814 -0.4803 -0.4803 -0.0542 -0.0542 0.0148 0.0148 0.0241 0.0241 0.1926 0.1926 0.2064 0.2064 0.2397 0.2397 0.2455 0.2455 0.2757 0.2757 0.3050 0.3050 1.3380 1.3380 5.6692 5.6692 7.0716 7.0716 k = 0.1481 0.0855 0.0605 ( 9579 PWs) bands (ev): -17.0575 -17.0575 -17.0575 -17.0575 -14.7605 -14.7605 -14.7603 -14.7603 -14.3574 -14.3574 -13.9243 -13.9243 -13.1796 -13.1796 -13.1308 -13.1308 -13.1127 -13.1127 -12.3778 -12.3778 -12.3777 -12.3777 -11.6524 -11.6524 -11.6342 -11.6342 -6.8981 -6.8981 -3.1881 -3.1881 -2.8470 -2.8470 -2.7774 -2.7774 -1.8952 -1.8952 -1.8848 -1.8848 -1.8326 -1.8326 -0.8758 -0.8758 -0.7552 -0.7552 -0.7422 -0.7422 -0.6284 -0.6284 -0.6125 -0.6125 -0.5413 -0.5413 -0.4918 -0.4918 -0.4896 -0.4896 -0.0656 -0.0656 0.0025 0.0025 0.0145 0.0145 0.1713 0.1713 0.1927 0.1927 0.2374 0.2374 0.2439 0.2439 0.2723 0.2723 0.3034 0.3034 1.3803 1.3803 5.6826 5.6826 7.0772 7.0772 k = 0.1667 0.0962 0.0680 ( 9576 PWs) bands (ev): -17.0575 -17.0575 -17.0575 -17.0575 -14.7608 -14.7608 -14.7606 -14.7606 -14.3574 -14.3574 -13.9186 -13.9186 -13.1854 -13.1854 -13.1294 -13.1294 -13.1094 -13.1094 -12.3816 -12.3816 -12.3814 -12.3814 -11.6525 -11.6525 -11.6348 -11.6348 -6.8872 -6.8872 -3.1862 -3.1862 -2.8427 -2.8427 -2.7585 -2.7585 -1.8824 -1.8824 -1.8698 -1.8698 -1.8172 -1.8172 -0.8915 -0.8915 -0.7748 -0.7748 -0.7636 -0.7636 -0.6332 -0.6332 -0.6173 -0.6173 -0.5367 -0.5367 -0.5021 -0.5021 -0.4982 -0.4982 -0.0780 -0.0780 -0.0108 -0.0108 0.0039 0.0039 0.1478 0.1478 0.1778 0.1778 0.2351 0.2351 0.2424 0.2424 0.2693 0.2693 0.3015 0.3015 1.4253 1.4253 5.6962 5.6962 7.0844 7.0844 k = 0.1852 0.1069 0.0756 ( 9570 PWs) bands (ev): -17.0576 -17.0576 -17.0575 -17.0575 -14.7611 -14.7611 -14.7608 -14.7608 -14.3573 -14.3573 -13.9124 -13.9124 -13.1924 -13.1924 -13.1273 -13.1273 -13.1059 -13.1059 -12.3856 -12.3856 -12.3854 -12.3854 -11.6527 -11.6527 -11.6354 -11.6354 -6.8754 -6.8754 -3.1856 -3.1856 -2.8364 -2.8364 -2.7378 -2.7378 -1.8682 -1.8682 -1.8534 -1.8534 -1.7999 -1.7999 -0.9089 -0.9089 -0.7962 -0.7962 -0.7877 -0.7877 -0.6403 -0.6403 -0.6240 -0.6240 -0.5315 -0.5315 -0.5107 -0.5107 -0.5053 -0.5053 -0.0911 -0.0911 -0.0248 -0.0248 -0.0074 -0.0074 0.1228 0.1228 0.1616 0.1616 0.2328 0.2328 0.2410 0.2410 0.2666 0.2666 0.2995 0.2995 1.4722 1.4722 5.7095 5.7095 7.0933 7.0933 k = 0.2037 0.1176 0.0832 ( 9573 PWs) bands (ev): -17.0576 -17.0576 -17.0575 -17.0575 -14.7614 -14.7614 -14.7611 -14.7611 -14.3573 -14.3573 -13.9058 -13.9058 -13.2003 -13.2003 -13.1246 -13.1246 -13.1022 -13.1022 -12.3898 -12.3898 -12.3896 -12.3896 -11.6529 -11.6529 -11.6361 -11.6361 -6.8629 -6.8629 -3.1866 -3.1866 -2.8281 -2.8281 -2.7154 -2.7154 -1.8528 -1.8528 -1.8359 -1.8359 -1.7808 -1.7808 -0.9279 -0.9279 -0.8193 -0.8193 -0.8143 -0.8143 -0.6505 -0.6505 -0.6335 -0.6335 -0.5284 -0.5284 -0.5141 -0.5141 -0.5099 -0.5099 -0.1047 -0.1047 -0.0395 -0.0395 -0.0195 -0.0195 0.0970 0.0970 0.1443 0.1443 0.2306 0.2306 0.2397 0.2397 0.2640 0.2640 0.2973 0.2973 1.5203 1.5203 5.7222 5.7222 7.1041 7.1041 k = 0.2222 0.1283 0.0907 ( 9567 PWs) bands (ev): -17.0576 -17.0576 -17.0576 -17.0576 -14.7618 -14.7618 -14.7614 -14.7614 -14.3573 -14.3573 -13.8987 -13.8987 -13.2089 -13.2089 -13.1216 -13.1216 -13.0983 -13.0983 -12.3942 -12.3942 -12.3940 -12.3940 -11.6530 -11.6530 -11.6368 -11.6368 -6.8498 -6.8498 -3.1892 -3.1892 -2.8174 -2.8174 -2.6915 -2.6915 -1.8361 -1.8361 -1.8174 -1.8174 -1.7598 -1.7598 -0.9486 -0.9486 -0.8438 -0.8438 -0.8431 -0.8431 -0.6642 -0.6642 -0.6465 -0.6465 -0.5296 -0.5296 -0.5116 -0.5116 -0.5093 -0.5093 -0.1188 -0.1188 -0.0547 -0.0547 -0.0323 -0.0323 0.0707 0.0707 0.1260 0.1260 0.2284 0.2284 0.2386 0.2386 0.2614 0.2614 0.2950 0.2950 1.5689 1.5689 5.7338 5.7338 7.1167 7.1167 k = 0.2407 0.1390 0.0983 ( 9564 PWs) bands (ev): -17.0577 -17.0577 -17.0576 -17.0576 -14.7621 -14.7621 -14.7618 -14.7618 -14.3573 -14.3573 -13.8913 -13.8913 -13.2181 -13.2181 -13.1182 -13.1182 -13.0943 -13.0943 -12.3988 -12.3988 -12.3985 -12.3985 -11.6532 -11.6532 -11.6375 -11.6375 -6.8364 -6.8364 -3.1935 -3.1935 -2.8045 -2.8045 -2.6664 -2.6664 -1.8184 -1.8184 -1.7979 -1.7979 -1.7370 -1.7370 -0.9709 -0.9709 -0.8739 -0.8739 -0.8693 -0.8693 -0.6813 -0.6813 -0.6629 -0.6629 -0.5306 -0.5306 -0.5104 -0.5104 -0.5006 -0.5006 -0.1331 -0.1331 -0.0702 -0.0702 -0.0457 -0.0457 0.0444 0.0444 0.1069 0.1069 0.2264 0.2264 0.2377 0.2377 0.2588 0.2588 0.2925 0.2925 1.6176 1.6176 5.7441 5.7441 7.1312 7.1312 k = 0.2593 0.1497 0.1058 ( 9570 PWs) bands (ev): -17.0577 -17.0577 -17.0576 -17.0576 -14.7625 -14.7625 -14.7621 -14.7621 -14.3573 -14.3573 -13.8836 -13.8836 -13.2277 -13.2277 -13.1146 -13.1146 -13.0902 -13.0902 -12.4035 -12.4035 -12.4032 -12.4032 -11.6532 -11.6532 -11.6383 -11.6383 -6.8228 -6.8228 -3.1994 -3.1994 -2.7895 -2.7895 -2.6401 -2.6401 -1.7997 -1.7997 -1.7776 -1.7776 -1.7126 -1.7126 -0.9948 -0.9948 -0.9064 -0.9064 -0.8954 -0.8954 -0.7012 -0.7012 -0.6823 -0.6823 -0.5293 -0.5293 -0.5067 -0.5067 -0.4905 -0.4905 -0.1475 -0.1475 -0.0859 -0.0859 -0.0597 -0.0597 0.0185 0.0185 0.0872 0.0872 0.2246 0.2246 0.2370 0.2370 0.2562 0.2562 0.2899 0.2899 1.6657 1.6657 5.7528 5.7528 7.1474 7.1474 k = 0.2778 0.1604 0.1134 ( 9570 PWs) bands (ev): -17.0577 -17.0577 -17.0576 -17.0576 -14.7628 -14.7628 -14.7624 -14.7624 -14.3573 -14.3573 -13.8757 -13.8757 -13.2375 -13.2375 -13.1109 -13.1109 -13.0860 -13.0860 -12.4082 -12.4082 -12.4078 -12.4078 -11.6533 -11.6533 -11.6391 -11.6391 -6.8092 -6.8092 -3.2068 -3.2068 -2.7726 -2.7726 -2.6131 -2.6131 -1.7801 -1.7801 -1.7566 -1.7566 -1.6866 -1.6866 -1.0203 -1.0203 -0.9401 -0.9401 -0.9217 -0.9217 -0.7232 -0.7232 -0.7040 -0.7040 -0.5259 -0.5259 -0.5010 -0.5010 -0.4793 -0.4793 -0.1620 -0.1620 -0.1017 -0.1017 -0.0742 -0.0742 -0.0066 -0.0066 0.0670 0.0670 0.2230 0.2230 0.2365 0.2365 0.2536 0.2536 0.2871 0.2871 1.7128 1.7128 5.7598 5.7598 7.1652 7.1652 k = 0.2963 0.1711 0.1210 ( 9570 PWs) bands (ev): -17.0578 -17.0578 -17.0577 -17.0577 -14.7632 -14.7632 -14.7627 -14.7627 -14.3573 -14.3573 -13.8677 -13.8677 -13.2474 -13.2474 -13.1072 -13.1072 -13.0819 -13.0819 -12.4128 -12.4128 -12.4124 -12.4124 -11.6533 -11.6533 -11.6400 -11.6400 -6.7958 -6.7958 -3.2153 -3.2153 -2.7542 -2.7542 -2.5855 -2.5855 -1.7597 -1.7597 -1.7351 -1.7351 -1.6592 -1.6592 -1.0473 -1.0473 -0.9749 -0.9749 -0.9479 -0.9479 -0.7467 -0.7467 -0.7272 -0.7272 -0.5207 -0.5207 -0.4937 -0.4937 -0.4673 -0.4673 -0.1764 -0.1764 -0.1175 -0.1175 -0.0891 -0.0891 -0.0305 -0.0305 0.0465 0.0465 0.2216 0.2216 0.2363 0.2363 0.2509 0.2509 0.2843 0.2843 1.7582 1.7582 5.7650 5.7650 7.1843 7.1843 k = 0.3148 0.1818 0.1285 ( 9579 PWs) bands (ev): -17.0578 -17.0578 -17.0577 -17.0577 -14.7635 -14.7635 -14.7630 -14.7630 -14.3573 -14.3573 -13.8598 -13.8598 -13.2574 -13.2574 -13.1035 -13.1035 -13.0779 -13.0779 -12.4173 -12.4173 -12.4169 -12.4169 -11.6533 -11.6533 -11.6408 -11.6408 -6.7827 -6.7827 -3.2245 -3.2245 -2.7347 -2.7347 -2.5578 -2.5578 -1.7388 -1.7388 -1.7131 -1.7131 -1.6306 -1.6306 -1.0757 -1.0757 -1.0102 -1.0102 -0.9739 -0.9739 -0.7709 -0.7709 -0.7513 -0.7513 -0.5141 -0.5141 -0.4852 -0.4852 -0.4546 -0.4546 -0.1907 -0.1907 -0.1332 -0.1332 -0.1045 -0.1045 -0.0528 -0.0528 0.0260 0.0260 0.2204 0.2204 0.2364 0.2364 0.2483 0.2483 0.2814 0.2814 1.8016 1.8016 5.7685 5.7685 7.2042 7.2042 k = 0.3333 0.1925 0.1361 ( 9567 PWs) bands (ev): -17.0578 -17.0578 -17.0577 -17.0577 -14.7638 -14.7638 -14.7633 -14.7633 -14.3573 -14.3573 -13.8520 -13.8520 -13.2671 -13.2671 -13.0999 -13.0999 -13.0741 -13.0741 -12.4217 -12.4217 -12.4212 -12.4212 -11.6532 -11.6532 -11.6417 -11.6417 -6.7702 -6.7702 -3.2342 -3.2342 -2.7146 -2.7146 -2.5303 -2.5303 -1.7175 -1.7175 -1.6909 -1.6909 -1.6010 -1.6010 -1.1051 -1.1051 -1.0458 -1.0458 -0.9996 -0.9996 -0.7952 -0.7952 -0.7756 -0.7756 -0.5064 -0.5064 -0.4757 -0.4757 -0.4414 -0.4414 -0.2048 -0.2048 -0.1487 -0.1487 -0.1201 -0.1201 -0.0731 -0.0731 0.0056 0.0056 0.2195 0.2195 0.2367 0.2367 0.2457 0.2457 0.2784 0.2784 1.8425 1.8425 5.7705 5.7705 7.2245 7.2245 k = 0.3519 0.2031 0.1436 ( 9603 PWs) bands (ev): -17.0579 -17.0579 -17.0577 -17.0577 -14.7641 -14.7641 -14.7635 -14.7635 -14.3573 -14.3573 -13.8445 -13.8445 -13.2764 -13.2764 -13.0965 -13.0965 -13.0704 -13.0704 -12.4258 -12.4258 -12.4252 -12.4252 -11.6530 -11.6530 -11.6425 -11.6425 -6.7584 -6.7584 -3.2439 -3.2439 -2.6945 -2.6945 -2.5035 -2.5035 -1.6961 -1.6961 -1.6686 -1.6686 -1.5706 -1.5706 -1.1349 -1.1349 -1.0809 -1.0809 -1.0251 -1.0251 -0.8191 -0.8191 -0.7995 -0.7995 -0.4979 -0.4979 -0.4656 -0.4656 -0.4277 -0.4277 -0.2186 -0.2186 -0.1640 -0.1640 -0.1360 -0.1360 -0.0912 -0.0912 -0.0144 -0.0144 0.2189 0.2189 0.2373 0.2373 0.2432 0.2432 0.2754 0.2754 1.8804 1.8804 5.7712 5.7712 7.2447 7.2447 k = 0.3704 0.2138 0.1512 ( 9600 PWs) bands (ev): -17.0579 -17.0579 -17.0578 -17.0578 -14.7644 -14.7644 -14.7638 -14.7638 -14.3573 -14.3573 -13.8374 -13.8374 -13.2852 -13.2852 -13.0933 -13.0933 -13.0670 -13.0670 -12.4296 -12.4296 -12.4290 -12.4290 -11.6528 -11.6528 -11.6434 -11.6434 -6.7475 -6.7475 -3.2534 -3.2534 -2.6748 -2.6748 -2.4778 -2.4778 -1.6748 -1.6748 -1.6466 -1.6466 -1.5398 -1.5398 -1.1646 -1.1646 -1.1152 -1.1152 -1.0505 -1.0505 -0.8421 -0.8421 -0.8225 -0.8225 -0.4890 -0.4890 -0.4551 -0.4551 -0.4136 -0.4136 -0.2319 -0.2319 -0.1788 -0.1788 -0.1519 -0.1519 -0.1068 -0.1068 -0.0337 -0.0337 0.2185 0.2185 0.2382 0.2382 0.2407 0.2407 0.2724 0.2724 1.9148 1.9148 5.7708 5.7708 7.2643 7.2643 k = 0.3889 0.2245 0.1588 ( 9594 PWs) bands (ev): -17.0579 -17.0579 -17.0578 -17.0578 -14.7647 -14.7647 -14.7640 -14.7640 -14.3573 -14.3573 -13.8308 -13.8308 -13.2933 -13.2933 -13.0903 -13.0903 -13.0639 -13.0639 -12.4331 -12.4331 -12.4324 -12.4324 -11.6526 -11.6526 -11.6442 -11.6442 -6.7377 -6.7377 -3.2623 -3.2623 -2.6562 -2.6562 -2.4539 -2.4539 -1.6540 -1.6540 -1.6251 -1.6251 -1.5088 -1.5088 -1.1934 -1.1934 -1.1480 -1.1480 -1.0758 -1.0758 -0.8635 -0.8635 -0.8441 -0.8441 -0.4799 -0.4799 -0.4445 -0.4445 -0.3994 -0.3994 -0.2447 -0.2447 -0.1930 -0.1930 -0.1678 -0.1678 -0.1195 -0.1195 -0.0521 -0.0521 0.2184 0.2184 0.2382 0.2382 0.2393 0.2393 0.2694 0.2694 1.9456 1.9456 5.7697 5.7697 7.2827 7.2827 k = 0.4074 0.2352 0.1663 ( 9588 PWs) bands (ev): -17.0579 -17.0579 -17.0578 -17.0578 -14.7649 -14.7649 -14.7642 -14.7642 -14.3573 -14.3573 -13.8250 -13.8250 -13.3005 -13.3005 -13.0878 -13.0878 -13.0612 -13.0612 -12.4361 -12.4361 -12.4354 -12.4354 -11.6523 -11.6523 -11.6450 -11.6450 -6.7292 -6.7292 -3.2704 -3.2704 -2.6392 -2.6392 -2.4322 -2.4322 -1.6341 -1.6341 -1.6045 -1.6045 -1.4782 -1.4782 -1.2207 -1.2207 -1.1786 -1.1786 -1.1010 -1.1010 -0.8829 -0.8829 -0.8636 -0.8636 -0.4709 -0.4709 -0.4342 -0.4342 -0.3852 -0.3852 -0.2566 -0.2566 -0.2063 -0.2063 -0.1834 -0.1834 -0.1293 -0.1293 -0.0694 -0.0694 0.2186 0.2186 0.2360 0.2360 0.2407 0.2407 0.2664 0.2664 1.9722 1.9722 5.7681 5.7681 7.2993 7.2993 k = 0.4259 0.2459 0.1739 ( 9609 PWs) bands (ev): -17.0579 -17.0579 -17.0578 -17.0578 -14.7651 -14.7651 -14.7643 -14.7643 -14.3573 -14.3573 -13.8199 -13.8199 -13.3067 -13.3067 -13.0856 -13.0856 -13.0589 -13.0589 -12.4387 -12.4387 -12.4379 -12.4379 -11.6520 -11.6520 -11.6457 -11.6457 -6.7219 -6.7219 -3.2773 -3.2773 -2.6244 -2.6244 -2.4133 -2.4133 -1.6159 -1.6159 -1.5855 -1.5855 -1.4486 -1.4486 -1.2456 -1.2456 -1.2060 -1.2060 -1.1255 -1.1255 -0.8997 -0.8997 -0.8806 -0.8806 -0.4624 -0.4624 -0.4244 -0.4244 -0.3713 -0.3713 -0.2675 -0.2675 -0.2185 -0.2185 -0.1984 -0.1984 -0.1361 -0.1361 -0.0853 -0.0853 0.2189 0.2189 0.2338 0.2338 0.2422 0.2422 0.2636 0.2636 1.9944 1.9944 5.7663 5.7663 7.3137 7.3137 k = 0.4444 0.2566 0.1814 ( 9600 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7652 -14.7652 -14.7645 -14.7645 -14.3573 -14.3573 -13.8158 -13.8158 -13.3116 -13.3116 -13.0839 -13.0839 -13.0571 -13.0571 -12.4407 -12.4407 -12.4399 -12.4399 -11.6517 -11.6517 -11.6464 -11.6464 -6.7162 -6.7162 -3.2830 -3.2830 -2.6122 -2.6122 -2.3979 -2.3979 -1.6000 -1.6000 -1.5688 -1.5688 -1.4212 -1.4212 -1.2672 -1.2672 -1.2293 -1.2293 -1.1486 -1.1486 -0.9134 -0.9134 -0.8944 -0.8944 -0.4549 -0.4549 -0.4157 -0.4157 -0.3583 -0.3583 -0.2768 -0.2768 -0.2289 -0.2289 -0.2122 -0.2122 -0.1400 -0.1400 -0.0993 -0.0993 0.2194 0.2194 0.2319 0.2319 0.2439 0.2439 0.2608 0.2608 2.0120 2.0120 5.7646 5.7646 7.3253 7.3253 k = 0.4630 0.2673 0.1890 ( 9591 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7653 -14.7653 -14.7645 -14.7645 -14.3573 -14.3573 -13.8128 -13.8128 -13.3153 -13.3153 -13.0826 -13.0826 -13.0558 -13.0558 -12.4422 -12.4422 -12.4413 -12.4413 -11.6513 -11.6513 -11.6469 -11.6469 -6.7120 -6.7120 -3.2871 -3.2871 -2.6032 -2.6032 -2.3865 -2.3865 -1.5874 -1.5874 -1.5555 -1.5555 -1.3975 -1.3975 -1.2844 -1.2844 -1.2473 -1.2473 -1.1687 -1.1687 -0.9235 -0.9235 -0.9047 -0.9047 -0.4489 -0.4489 -0.4088 -0.4088 -0.3471 -0.3471 -0.2841 -0.2841 -0.2371 -0.2371 -0.2240 -0.2240 -0.1410 -0.1410 -0.1113 -0.1113 0.2200 0.2200 0.2303 0.2303 0.2456 0.2456 0.2583 0.2583 2.0247 2.0247 5.7632 5.7632 7.3340 7.3340 k = 0.4815 0.2780 0.1966 ( 9579 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8110 -13.8110 -13.3175 -13.3175 -13.0818 -13.0818 -13.0550 -13.0550 -12.4431 -12.4431 -12.4422 -12.4422 -11.6511 -11.6511 -11.6473 -11.6473 -6.7095 -6.7095 -3.2896 -3.2896 -2.5976 -2.5976 -2.3795 -2.3795 -1.5793 -1.5793 -1.5467 -1.5467 -1.3806 -1.3806 -1.2958 -1.2958 -1.2587 -1.2587 -1.1831 -1.1831 -0.9298 -0.9298 -0.9111 -0.9111 -0.4449 -0.4449 -0.4043 -0.4043 -0.3391 -0.3391 -0.2888 -0.2888 -0.2424 -0.2424 -0.2323 -0.2323 -0.1399 -0.1399 -0.1202 -0.1202 0.2206 0.2206 0.2291 0.2291 0.2472 0.2472 0.2563 0.2563 2.0324 2.0324 5.7623 5.7623 7.3392 7.3392 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8104 -13.8104 -13.3183 -13.3183 -13.0816 -13.0816 -13.0547 -13.0547 -12.4434 -12.4434 -12.4425 -12.4425 -11.6510 -11.6510 -11.6475 -11.6475 -6.7087 -6.7087 -3.2905 -3.2905 -2.5957 -2.5957 -2.3771 -2.3771 -1.5764 -1.5764 -1.5437 -1.5437 -1.3742 -1.3742 -1.3000 -1.3000 -1.2627 -1.2627 -1.1884 -1.1884 -0.9319 -0.9319 -0.9132 -0.9132 -0.4436 -0.4436 -0.4027 -0.4027 -0.3361 -0.3361 -0.2905 -0.2905 -0.2442 -0.2442 -0.2353 -0.2353 -0.1386 -0.1386 -0.1241 -0.1241 0.2208 0.2208 0.2287 0.2287 0.2479 0.2479 0.2555 0.2555 2.0350 2.0350 5.7620 5.7620 7.3410 7.3410 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8104 -13.8104 -13.3183 -13.3183 -13.0816 -13.0816 -13.0547 -13.0547 -12.4434 -12.4434 -12.4425 -12.4425 -11.6510 -11.6510 -11.6475 -11.6475 -6.7087 -6.7087 -3.2905 -3.2905 -2.5957 -2.5957 -2.3771 -2.3771 -1.5764 -1.5764 -1.5437 -1.5437 -1.3742 -1.3742 -1.3000 -1.3000 -1.2627 -1.2627 -1.1884 -1.1884 -0.9319 -0.9319 -0.9132 -0.9132 -0.4436 -0.4436 -0.4027 -0.4027 -0.3361 -0.3361 -0.2905 -0.2905 -0.2442 -0.2442 -0.2353 -0.2353 -0.1386 -0.1386 -0.1241 -0.1241 0.2208 0.2208 0.2287 0.2287 0.2479 0.2479 0.2555 0.2555 2.0350 2.0350 5.7620 5.7620 7.3410 7.3410 k = 0.5066 0.2697 0.2149 ( 9575 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8101 -13.8101 -13.3178 -13.3178 -13.0819 -13.0819 -13.0550 -13.0550 -12.4435 -12.4435 -12.4425 -12.4425 -11.6510 -11.6510 -11.6475 -11.6475 -6.7083 -6.7083 -3.2893 -3.2893 -2.5961 -2.5961 -2.3775 -2.3775 -1.5757 -1.5757 -1.5429 -1.5429 -1.3752 -1.3752 -1.2995 -1.2995 -1.2628 -1.2628 -1.1884 -1.1884 -0.9308 -0.9308 -0.9121 -0.9121 -0.4452 -0.4452 -0.4043 -0.4043 -0.3371 -0.3371 -0.2921 -0.2921 -0.2462 -0.2462 -0.2357 -0.2357 -0.1372 -0.1372 -0.1217 -0.1217 0.2197 0.2197 0.2272 0.2272 0.2482 0.2482 0.2553 0.2553 2.0363 2.0363 5.7641 5.7641 7.3419 7.3419 k = 0.5132 0.2507 0.2256 ( 9583 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7647 -14.7647 -14.3573 -14.3573 -13.8095 -13.8095 -13.3165 -13.3165 -13.0828 -13.0828 -13.0559 -13.0559 -12.4443 -12.4443 -12.4422 -12.4422 -11.6510 -11.6510 -11.6476 -11.6476 -6.7071 -6.7071 -3.2856 -3.2856 -2.5971 -2.5971 -2.3788 -2.3788 -1.5735 -1.5735 -1.5407 -1.5407 -1.3781 -1.3781 -1.2983 -1.2983 -1.2628 -1.2628 -1.1883 -1.1883 -0.9277 -0.9277 -0.9086 -0.9086 -0.4502 -0.4502 -0.4091 -0.4091 -0.3399 -0.3399 -0.2978 -0.2978 -0.2512 -0.2512 -0.2364 -0.2364 -0.1332 -0.1332 -0.1152 -0.1152 0.2165 0.2165 0.2232 0.2232 0.2486 0.2486 0.2549 0.2549 2.0403 2.0403 5.7705 5.7705 7.3447 7.3447 k = 0.5197 0.2317 0.2364 ( 9579 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7655 -14.7655 -14.7647 -14.7647 -14.3573 -14.3573 -13.8085 -13.8085 -13.3143 -13.3143 -13.0843 -13.0843 -13.0574 -13.0574 -12.4458 -12.4458 -12.4414 -12.4414 -11.6510 -11.6510 -11.6476 -11.6476 -6.7051 -6.7051 -3.2795 -3.2795 -2.5989 -2.5989 -2.3808 -2.3808 -1.5699 -1.5699 -1.5369 -1.5369 -1.3823 -1.3823 -1.2972 -1.2972 -1.2624 -1.2624 -1.1880 -1.1880 -0.9228 -0.9228 -0.9029 -0.9029 -0.4591 -0.4591 -0.4161 -0.4161 -0.3442 -0.3442 -0.3090 -0.3090 -0.2568 -0.2568 -0.2367 -0.2367 -0.1268 -0.1268 -0.1059 -0.1059 0.2108 0.2108 0.2179 0.2179 0.2477 0.2477 0.2548 0.2548 2.0468 2.0468 5.7809 5.7809 7.3492 7.3492 k = 0.5263 0.2127 0.2471 ( 9575 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7657 -14.7657 -14.7647 -14.7647 -14.3573 -14.3573 -13.8071 -13.8071 -13.3112 -13.3112 -13.0865 -13.0865 -13.0594 -13.0594 -12.4479 -12.4479 -12.4403 -12.4403 -11.6510 -11.6510 -11.6478 -11.6478 -6.7025 -6.7025 -3.2710 -3.2710 -2.6014 -2.6014 -2.3837 -2.3837 -1.5651 -1.5651 -1.5317 -1.5317 -1.3873 -1.3873 -1.2970 -1.2970 -1.2613 -1.2613 -1.1870 -1.1870 -0.9163 -0.9163 -0.8952 -0.8952 -0.4723 -0.4723 -0.4248 -0.4248 -0.3496 -0.3496 -0.3260 -0.3260 -0.2619 -0.2619 -0.2362 -0.2362 -0.1188 -0.1188 -0.0951 -0.0951 0.2022 0.2022 0.2124 0.2124 0.2446 0.2446 0.2555 0.2555 2.0557 2.0557 5.7951 5.7951 7.3556 7.3556 k = 0.5329 0.1937 0.2578 ( 9568 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7660 -14.7660 -14.7646 -14.7646 -14.3573 -14.3573 -13.8054 -13.8054 -13.3073 -13.3073 -13.0893 -13.0893 -13.0618 -13.0618 -12.4506 -12.4506 -12.4389 -12.4389 -11.6510 -11.6510 -11.6479 -11.6479 -6.6992 -6.6992 -3.2604 -3.2604 -2.6045 -2.6045 -2.3873 -2.3873 -1.5592 -1.5592 -1.5250 -1.5250 -1.3925 -1.3925 -1.2979 -1.2979 -1.2594 -1.2594 -1.1851 -1.1851 -0.9084 -0.9084 -0.8856 -0.8856 -0.4897 -0.4897 -0.4350 -0.4350 -0.3579 -0.3579 -0.3454 -0.3454 -0.2674 -0.2674 -0.2344 -0.2344 -0.1095 -0.1095 -0.0836 -0.0836 0.1913 0.1913 0.2067 0.2067 0.2394 0.2394 0.2566 0.2566 2.0667 2.0667 5.8127 5.8127 7.3639 7.3639 k = 0.5395 0.1747 0.2686 ( 9578 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7664 -14.7664 -14.7645 -14.7645 -14.3573 -14.3573 -13.8033 -13.8033 -13.3027 -13.3027 -13.0928 -13.0928 -13.0645 -13.0645 -12.4539 -12.4539 -12.4371 -12.4371 -11.6510 -11.6510 -11.6481 -11.6481 -6.6952 -6.6952 -3.2476 -3.2476 -2.6083 -2.6083 -2.3916 -2.3916 -1.5526 -1.5526 -1.5168 -1.5168 -1.3974 -1.3974 -1.2999 -1.2999 -1.2573 -1.2573 -1.1818 -1.1818 -0.8995 -0.8995 -0.8746 -0.8746 -0.5107 -0.5107 -0.4468 -0.4468 -0.3787 -0.3787 -0.3559 -0.3559 -0.2738 -0.2738 -0.2312 -0.2312 -0.0995 -0.0995 -0.0719 -0.0719 0.1788 0.1788 0.2007 0.2007 0.2326 0.2326 0.2576 0.2576 2.0797 2.0797 5.8332 5.8332 7.3741 7.3741 k = 0.5461 0.1557 0.2793 ( 9581 PWs) bands (ev): -17.0581 -17.0581 -17.0578 -17.0578 -14.7668 -14.7668 -14.7644 -14.7644 -14.3573 -14.3573 -13.8009 -13.8009 -13.2973 -13.2973 -13.0970 -13.0970 -13.0675 -13.0675 -12.4577 -12.4577 -12.4351 -12.4351 -11.6510 -11.6510 -11.6482 -11.6482 -6.6908 -6.6908 -3.2330 -3.2330 -2.6126 -2.6126 -2.3966 -2.3966 -1.5456 -1.5456 -1.5071 -1.5071 -1.4016 -1.4016 -1.3023 -1.3023 -1.2557 -1.2557 -1.1767 -1.1767 -0.8898 -0.8898 -0.8623 -0.8623 -0.5345 -0.5345 -0.4606 -0.4606 -0.4073 -0.4073 -0.3611 -0.3611 -0.2816 -0.2816 -0.2266 -0.2266 -0.0890 -0.0890 -0.0601 -0.0601 0.1650 0.1650 0.1942 0.1942 0.2242 0.2242 0.2584 0.2584 2.0942 2.0942 5.8561 5.8561 7.3863 7.3863 k = 0.5526 0.1367 0.2901 ( 9571 PWs) bands (ev): -17.0581 -17.0581 -17.0578 -17.0578 -14.7673 -14.7673 -14.7643 -14.7643 -14.3573 -14.3573 -13.7983 -13.7983 -13.2912 -13.2912 -13.1019 -13.1019 -13.0707 -13.0707 -12.4620 -12.4620 -12.4328 -12.4328 -11.6510 -11.6510 -11.6484 -11.6484 -6.6859 -6.6859 -3.2167 -3.2167 -2.6173 -2.6173 -2.4022 -2.4022 -1.5387 -1.5387 -1.4960 -1.4960 -1.4045 -1.4045 -1.3047 -1.3047 -1.2550 -1.2550 -1.1697 -1.1697 -0.8793 -0.8793 -0.8492 -0.8492 -0.5607 -0.5607 -0.4763 -0.4763 -0.4387 -0.4387 -0.3651 -0.3651 -0.2907 -0.2907 -0.2208 -0.2208 -0.0784 -0.0784 -0.0485 -0.0485 0.1505 0.1505 0.1872 0.1872 0.2148 0.2148 0.2588 0.2588 2.1100 2.1100 5.8807 5.8807 7.4003 7.4003 k = 0.5592 0.1177 0.3008 ( 9585 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7678 -14.7678 -14.7641 -14.7641 -14.3573 -14.3573 -13.7955 -13.7955 -13.2844 -13.2844 -13.1074 -13.1074 -13.0739 -13.0739 -12.4667 -12.4667 -12.4303 -12.4303 -11.6511 -11.6511 -11.6486 -11.6486 -6.6806 -6.6806 -3.1991 -3.1991 -2.6223 -2.6223 -2.4083 -2.4083 -1.5325 -1.5325 -1.4834 -1.4834 -1.4055 -1.4055 -1.3067 -1.3067 -1.2555 -1.2555 -1.1609 -1.1609 -0.8683 -0.8683 -0.8356 -0.8356 -0.5886 -0.5886 -0.4943 -0.4943 -0.4713 -0.4713 -0.3685 -0.3685 -0.3011 -0.3011 -0.2141 -0.2141 -0.0678 -0.0678 -0.0373 -0.0373 0.1356 0.1356 0.1794 0.1794 0.2048 0.2048 0.2589 0.2589 2.1267 2.1267 5.9065 5.9065 7.4163 7.4163 k = 0.5658 0.0988 0.3116 ( 9587 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7683 -14.7683 -14.7639 -14.7639 -14.3573 -14.3573 -13.7925 -13.7925 -13.2772 -13.2772 -13.1134 -13.1134 -13.0773 -13.0773 -12.4717 -12.4717 -12.4276 -12.4276 -11.6512 -11.6512 -11.6488 -11.6488 -6.6752 -6.6752 -3.1804 -3.1804 -2.6274 -2.6274 -2.4149 -2.4149 -1.5276 -1.5276 -1.4696 -1.4696 -1.4043 -1.4043 -1.3079 -1.3079 -1.2573 -1.2573 -1.1503 -1.1503 -0.8569 -0.8569 -0.8219 -0.8219 -0.6178 -0.6178 -0.5164 -0.5164 -0.5022 -0.5022 -0.3715 -0.3715 -0.3127 -0.3127 -0.2065 -0.2065 -0.0575 -0.0575 -0.0266 -0.0266 0.1207 0.1207 0.1705 0.1705 0.1948 0.1948 0.2586 0.2586 2.1440 2.1440 5.9327 5.9327 7.4342 7.4342 k = 0.5724 0.0798 0.3223 ( 9573 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7689 -14.7689 -14.7637 -14.7637 -14.3573 -14.3573 -13.7894 -13.7894 -13.2694 -13.2694 -13.1197 -13.1197 -13.0806 -13.0806 -12.4771 -12.4771 -12.4247 -12.4247 -11.6513 -11.6513 -11.6489 -11.6489 -6.6696 -6.6696 -3.1610 -3.1610 -2.6323 -2.6323 -2.4219 -2.4219 -1.5244 -1.5244 -1.4546 -1.4546 -1.4002 -1.4002 -1.3082 -1.3082 -1.2602 -1.2602 -1.1385 -1.1385 -0.8452 -0.8452 -0.8087 -0.8087 -0.6478 -0.6478 -0.5472 -0.5472 -0.5256 -0.5256 -0.3743 -0.3743 -0.3252 -0.3252 -0.1982 -0.1982 -0.0475 -0.0475 -0.0168 -0.0168 0.1064 0.1064 0.1602 0.1602 0.1855 0.1855 0.2580 0.2580 2.1614 2.1614 5.9587 5.9587 7.4537 7.4537 k = 0.5789 0.0608 0.3330 ( 9576 PWs) bands (ev): -17.0583 -17.0583 -17.0577 -17.0577 -14.7695 -14.7695 -14.7635 -14.7635 -14.3573 -14.3573 -13.7863 -13.7863 -13.2613 -13.2613 -13.1264 -13.1264 -13.0841 -13.0841 -12.4828 -12.4828 -12.4217 -12.4217 -11.6515 -11.6515 -11.6489 -11.6489 -6.6640 -6.6640 -3.1415 -3.1415 -2.6367 -2.6367 -2.4293 -2.4293 -1.5232 -1.5232 -1.4388 -1.4388 -1.3933 -1.3933 -1.3075 -1.3075 -1.2642 -1.2642 -1.1259 -1.1259 -0.8333 -0.8333 -0.7963 -0.7963 -0.6782 -0.6782 -0.5817 -0.5817 -0.5451 -0.5451 -0.3771 -0.3771 -0.3385 -0.3385 -0.1893 -0.1893 -0.0382 -0.0382 -0.0084 -0.0084 0.0936 0.0936 0.1483 0.1483 0.1775 0.1775 0.2570 0.2570 2.1785 2.1785 5.9838 5.9838 7.4747 7.4747 k = 0.5855 0.0418 0.3438 ( 9576 PWs) bands (ev): -17.0583 -17.0583 -17.0577 -17.0577 -14.7700 -14.7700 -14.7633 -14.7633 -14.3573 -14.3573 -13.7832 -13.7832 -13.2530 -13.2530 -13.1331 -13.1331 -13.0875 -13.0875 -12.4886 -12.4886 -12.4185 -12.4185 -11.6518 -11.6518 -11.6488 -11.6488 -6.6586 -6.6586 -3.1222 -3.1222 -2.6404 -2.6404 -2.4369 -2.4369 -1.5240 -1.5240 -1.4224 -1.4224 -1.3837 -1.3837 -1.3060 -1.3060 -1.2690 -1.2690 -1.1128 -1.1128 -0.8214 -0.8214 -0.7855 -0.7855 -0.7084 -0.7084 -0.6162 -0.6162 -0.5627 -0.5627 -0.3802 -0.3802 -0.3523 -0.3523 -0.1798 -0.1798 -0.0299 -0.0299 -0.0025 -0.0025 0.0834 0.0834 0.1356 0.1356 0.1706 0.1706 0.2557 0.2557 2.1951 2.1951 6.0075 6.0075 7.4967 7.4967 k = 0.5921 0.0228 0.3545 ( 9574 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7706 -14.7706 -14.7630 -14.7630 -14.3573 -14.3573 -13.7802 -13.7802 -13.2446 -13.2446 -13.1396 -13.1396 -13.0909 -13.0909 -12.4946 -12.4946 -12.4152 -12.4152 -11.6522 -11.6522 -11.6487 -11.6487 -6.6535 -6.6535 -3.1038 -3.1038 -2.6430 -2.6430 -2.4445 -2.4445 -1.5266 -1.5266 -1.4058 -1.4058 -1.3717 -1.3717 -1.3039 -1.3039 -1.2742 -1.2742 -1.1000 -1.1000 -0.8098 -0.8098 -0.7768 -0.7768 -0.7376 -0.7376 -0.6493 -0.6493 -0.5778 -0.5778 -0.3845 -0.3845 -0.3657 -0.3657 -0.1697 -0.1697 -0.0230 -0.0230 -0.0000 -0.0000 0.0773 0.0773 0.1228 0.1228 0.1647 0.1647 0.2540 0.2540 2.2106 2.2106 6.0292 6.0292 7.5193 7.5193 k = 0.5987 0.0038 0.3653 ( 9578 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7712 -14.7712 -14.7628 -14.7628 -14.3573 -14.3573 -13.7775 -13.7775 -13.2363 -13.2363 -13.1459 -13.1459 -13.0943 -13.0943 -12.5005 -12.5005 -12.4118 -12.4118 -11.6525 -11.6525 -11.6486 -11.6486 -6.6488 -6.6488 -3.0868 -3.0868 -2.6443 -2.6443 -2.4522 -2.4522 -1.5307 -1.5307 -1.3893 -1.3893 -1.3580 -1.3580 -1.3023 -1.3023 -1.2786 -1.2786 -1.0883 -1.0883 -0.8005 -0.8005 -0.7711 -0.7711 -0.7632 -0.7632 -0.6799 -0.6799 -0.5894 -0.5894 -0.3921 -0.3921 -0.3766 -0.3766 -0.1593 -0.1593 -0.0186 -0.0186 -0.0013 -0.0013 0.0762 0.0762 0.1109 0.1109 0.1596 0.1596 0.2521 0.2521 2.2247 2.2247 6.0485 6.0485 7.5416 7.5416 k = 0.6053-0.0152 0.3760 ( 9581 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7717 -14.7717 -14.7625 -14.7625 -14.3573 -14.3573 -13.7751 -13.7751 -13.2283 -13.2283 -13.1514 -13.1514 -13.0977 -13.0977 -12.5064 -12.5064 -12.4083 -12.4083 -11.6529 -11.6529 -11.6484 -11.6484 -6.6447 -6.6447 -3.0717 -3.0717 -2.6441 -2.6441 -2.4595 -2.4595 -1.5360 -1.5360 -1.3737 -1.3737 -1.3439 -1.3439 -1.3023 -1.3023 -1.2802 -1.2802 -1.0792 -1.0792 -0.8044 -0.8044 -0.7746 -0.7746 -0.7675 -0.7675 -0.7070 -0.7070 -0.5966 -0.5966 -0.4046 -0.4046 -0.3831 -0.3831 -0.1484 -0.1484 -0.0184 -0.0184 -0.0046 -0.0046 0.0793 0.0793 0.1011 0.1011 0.1553 0.1553 0.2500 0.2500 2.2370 2.2370 6.0652 6.0652 7.5628 7.5628 k = 0.6118-0.0342 0.3868 ( 9588 PWs) bands (ev): -17.0585 -17.0585 -17.0576 -17.0576 -14.7722 -14.7722 -14.7623 -14.7623 -14.3573 -14.3573 -13.7731 -13.7731 -13.2211 -13.2211 -13.1560 -13.1560 -13.1010 -13.1010 -12.5122 -12.5122 -12.4049 -12.4049 -11.6533 -11.6533 -11.6481 -11.6481 -6.6412 -6.6412 -3.0588 -3.0588 -2.6428 -2.6428 -2.4662 -2.4662 -1.5425 -1.5425 -1.3608 -1.3608 -1.3316 -1.3316 -1.3010 -1.3010 -1.2786 -1.2786 -1.0744 -1.0744 -0.8225 -0.8225 -0.7734 -0.7734 -0.7619 -0.7619 -0.7292 -0.7292 -0.5989 -0.5989 -0.4197 -0.4197 -0.3876 -0.3876 -0.1373 -0.1373 -0.0233 -0.0233 -0.0081 -0.0081 0.0849 0.0849 0.0949 0.0949 0.1518 0.1518 0.2476 0.2476 2.2473 2.2473 6.0791 6.0791 7.5820 7.5820 k = 0.6184-0.0532 0.3975 ( 9577 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7726 -14.7726 -14.7620 -14.7620 -14.3573 -14.3573 -13.7715 -13.7715 -13.2151 -13.2151 -13.1591 -13.1591 -13.1042 -13.1042 -12.5176 -12.5176 -12.4014 -12.4014 -11.6537 -11.6537 -11.6479 -11.6479 -6.6385 -6.6385 -3.0485 -3.0485 -2.6406 -2.6406 -2.4720 -2.4720 -1.5499 -1.5499 -1.3553 -1.3553 -1.3215 -1.3215 -1.2928 -1.2928 -1.2750 -1.2750 -1.0758 -1.0758 -0.8392 -0.8392 -0.7755 -0.7755 -0.7562 -0.7562 -0.7410 -0.7410 -0.5971 -0.5971 -0.4354 -0.4354 -0.3918 -0.3918 -0.1260 -0.1260 -0.0309 -0.0309 -0.0133 -0.0133 0.0885 0.0885 0.0958 0.0958 0.1491 0.1491 0.2451 0.2451 2.2553 2.2553 6.0899 6.0899 7.5982 7.5982 k = 0.6250-0.0722 0.4082 ( 9589 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7705 -13.7705 -13.2107 -13.2107 -13.1602 -13.1602 -13.1072 -13.1072 -12.5227 -12.5227 -12.3979 -12.3979 -11.6542 -11.6542 -11.6476 -11.6476 -6.6366 -6.6366 -3.0406 -3.0406 -2.6382 -2.6382 -2.4765 -2.4765 -1.5583 -1.5583 -1.3597 -1.3597 -1.3093 -1.3093 -1.2818 -1.2818 -1.2680 -1.2680 -1.0848 -1.0848 -0.8508 -0.8508 -0.7786 -0.7786 -0.7620 -0.7620 -0.7329 -0.7329 -0.5921 -0.5921 -0.4513 -0.4513 -0.3960 -0.3960 -0.1146 -0.1146 -0.0388 -0.0388 -0.0209 -0.0209 0.0899 0.0899 0.1033 0.1033 0.1472 0.1472 0.2425 0.2425 2.2606 2.2606 6.0978 6.0978 7.6104 7.6104 k = 0.6250-0.0722 0.4082 ( 9589 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7705 -13.7705 -13.2107 -13.2107 -13.1602 -13.1602 -13.1072 -13.1072 -12.5227 -12.5227 -12.3979 -12.3979 -11.6542 -11.6542 -11.6476 -11.6476 -6.6366 -6.6366 -3.0406 -3.0406 -2.6382 -2.6382 -2.4765 -2.4765 -1.5583 -1.5583 -1.3597 -1.3597 -1.3093 -1.3093 -1.2818 -1.2818 -1.2680 -1.2680 -1.0848 -1.0848 -0.8508 -0.8508 -0.7786 -0.7786 -0.7620 -0.7620 -0.7329 -0.7329 -0.5921 -0.5921 -0.4513 -0.4513 -0.3960 -0.3960 -0.1146 -0.1146 -0.0388 -0.0388 -0.0209 -0.0209 0.0899 0.0899 0.1033 0.1033 0.1472 0.1472 0.2425 0.2425 2.2606 2.2606 6.0978 6.0978 7.6104 7.6104 k = 0.6136-0.0656 0.4268 ( 9590 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7704 -13.7704 -13.2104 -13.2104 -13.1601 -13.1601 -13.1078 -13.1078 -12.5224 -12.5224 -12.3982 -12.3982 -11.6541 -11.6541 -11.6476 -11.6476 -6.6365 -6.6365 -3.0400 -3.0400 -2.6383 -2.6383 -2.4773 -2.4773 -1.5575 -1.5575 -1.3588 -1.3588 -1.3154 -1.3154 -1.2789 -1.2789 -1.2633 -1.2633 -1.0855 -1.0855 -0.8547 -0.8547 -0.7771 -0.7771 -0.7625 -0.7625 -0.7324 -0.7324 -0.5922 -0.5922 -0.4489 -0.4489 -0.3982 -0.3982 -0.1162 -0.1162 -0.0384 -0.0384 -0.0196 -0.0196 0.0888 0.0888 0.1034 0.1034 0.1479 0.1479 0.2416 0.2416 2.2610 2.2610 6.0984 6.0984 7.6112 7.6112 k = 0.6023-0.0590 0.4454 ( 9581 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7702 -13.7702 -13.2095 -13.2095 -13.1599 -13.1599 -13.1093 -13.1093 -12.5215 -12.5215 -12.3990 -12.3990 -11.6540 -11.6540 -11.6477 -11.6477 -6.6362 -6.6362 -3.0382 -3.0382 -2.6386 -2.6386 -2.4797 -2.4797 -1.5550 -1.5550 -1.3564 -1.3564 -1.3270 -1.3270 -1.2747 -1.2747 -1.2509 -1.2509 -1.0876 -1.0876 -0.8648 -0.8648 -0.7769 -0.7769 -0.7614 -0.7614 -0.7305 -0.7305 -0.5925 -0.5925 -0.4420 -0.4420 -0.4044 -0.4044 -0.1209 -0.1209 -0.0371 -0.0371 -0.0156 -0.0156 0.0855 0.0855 0.1039 0.1039 0.1499 0.1499 0.2389 0.2389 2.2621 2.2621 6.1001 6.1001 7.6138 7.6138 k = 0.5909-0.0525 0.4639 ( 9575 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7729 -14.7729 -14.7619 -14.7619 -14.3573 -14.3573 -13.7699 -13.7699 -13.2079 -13.2079 -13.1596 -13.1596 -13.1118 -13.1118 -12.5201 -12.5201 -12.4002 -12.4002 -11.6539 -11.6539 -11.6479 -11.6479 -6.6356 -6.6356 -3.0354 -3.0354 -2.6390 -2.6390 -2.4836 -2.4836 -1.5510 -1.5510 -1.3555 -1.3555 -1.3366 -1.3366 -1.2699 -1.2699 -1.2351 -1.2351 -1.0910 -1.0910 -0.8788 -0.8788 -0.7827 -0.7827 -0.7566 -0.7566 -0.7264 -0.7264 -0.5930 -0.5930 -0.4325 -0.4325 -0.4129 -0.4129 -0.1286 -0.1286 -0.0349 -0.0349 -0.0094 -0.0094 0.0804 0.0804 0.1047 0.1047 0.1527 0.1527 0.2346 0.2346 2.2638 2.2638 6.1029 6.1029 7.6181 7.6181 k = 0.5795-0.0459 0.4825 ( 9584 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7728 -14.7728 -14.7621 -14.7621 -14.3573 -14.3573 -13.7694 -13.7694 -13.2059 -13.2059 -13.1592 -13.1592 -13.1151 -13.1151 -12.5183 -12.5183 -12.4019 -12.4019 -11.6537 -11.6537 -11.6481 -11.6481 -6.6348 -6.6348 -3.0316 -3.0316 -2.6394 -2.6394 -2.4886 -2.4886 -1.5454 -1.5454 -1.3633 -1.3633 -1.3359 -1.3359 -1.2641 -1.2641 -1.2180 -1.2180 -1.0958 -1.0958 -0.8952 -0.8952 -0.7918 -0.7918 -0.7521 -0.7521 -0.7192 -0.7192 -0.5940 -0.5940 -0.4329 -0.4329 -0.4111 -0.4111 -0.1391 -0.1391 -0.0318 -0.0318 -0.0014 -0.0014 0.0740 0.0740 0.1056 0.1056 0.1561 0.1561 0.2288 0.2288 2.2661 2.2661 6.1064 6.1064 7.6238 7.6238 k = 0.5682-0.0394 0.5010 ( 9581 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7727 -14.7727 -14.7622 -14.7622 -14.3573 -14.3573 -13.7688 -13.7688 -13.2033 -13.2033 -13.1586 -13.1586 -13.1192 -13.1192 -12.5162 -12.5162 -12.4038 -12.4038 -11.6534 -11.6534 -11.6484 -11.6484 -6.6339 -6.6339 -3.0273 -3.0273 -2.6398 -2.6398 -2.4946 -2.4946 -1.5383 -1.5383 -1.3763 -1.3763 -1.3283 -1.3283 -1.2570 -1.2570 -1.2002 -1.2002 -1.1019 -1.1019 -0.9130 -0.9130 -0.8022 -0.8022 -0.7494 -0.7494 -0.7093 -0.7093 -0.5956 -0.5956 -0.4465 -0.4465 -0.3954 -0.3954 -0.1521 -0.1521 -0.0278 -0.0278 0.0078 0.0078 0.0667 0.0667 0.1063 0.1063 0.1598 0.1598 0.2218 0.2218 2.2689 2.2689 6.1104 6.1104 7.6309 7.6309 k = 0.5568-0.0328 0.5196 ( 9583 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7726 -14.7726 -14.7623 -14.7623 -14.3573 -14.3573 -13.7682 -13.7682 -13.2005 -13.2005 -13.1578 -13.1578 -13.1239 -13.1239 -12.5139 -12.5139 -12.4060 -12.4060 -11.6531 -11.6531 -11.6487 -11.6487 -6.6330 -6.6330 -3.0227 -3.0227 -2.6398 -2.6398 -2.5011 -2.5011 -1.5297 -1.5297 -1.3905 -1.3905 -1.3184 -1.3184 -1.2491 -1.2491 -1.1824 -1.1824 -1.1090 -1.1090 -0.9317 -0.9317 -0.8127 -0.8127 -0.7479 -0.7479 -0.6979 -0.6979 -0.5981 -0.5981 -0.4624 -0.4624 -0.3764 -0.3764 -0.1673 -0.1673 -0.0230 -0.0230 0.0177 0.0177 0.0588 0.0588 0.1067 0.1067 0.1635 0.1635 0.2138 0.2138 2.2718 2.2718 6.1147 6.1147 7.6390 7.6390 k = 0.5455-0.0262 0.5381 ( 9582 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7725 -14.7725 -14.7625 -14.7625 -14.3573 -14.3573 -13.7676 -13.7676 -13.1974 -13.1974 -13.1568 -13.1568 -13.1289 -13.1289 -12.5115 -12.5115 -12.4082 -12.4082 -11.6528 -11.6528 -11.6491 -11.6491 -6.6320 -6.6320 -3.0182 -3.0182 -2.6396 -2.6396 -2.5076 -2.5076 -1.5198 -1.5198 -1.4050 -1.4050 -1.3076 -1.3076 -1.2407 -1.2407 -1.1654 -1.1654 -1.1166 -1.1166 -0.9505 -0.9505 -0.8227 -0.8227 -0.7471 -0.7471 -0.6858 -0.6858 -0.6021 -0.6021 -0.4777 -0.4777 -0.3558 -0.3558 -0.1845 -0.1845 -0.0174 -0.0174 0.0274 0.0274 0.0510 0.0510 0.1062 0.1062 0.1671 0.1671 0.2055 0.2055 2.2748 2.2748 6.1189 6.1189 7.6476 7.6476 k = 0.5341-0.0197 0.5567 ( 9573 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7725 -14.7725 -14.7626 -14.7626 -14.3573 -14.3573 -13.7670 -13.7670 -13.1945 -13.1945 -13.1556 -13.1556 -13.1340 -13.1340 -12.5094 -12.5094 -12.4102 -12.4102 -11.6524 -11.6524 -11.6495 -11.6495 -6.6311 -6.6311 -3.0142 -3.0142 -2.6389 -2.6389 -2.5137 -2.5137 -1.5085 -1.5085 -1.4197 -1.4197 -1.2966 -1.2966 -1.2326 -1.2326 -1.1509 -1.1509 -1.1230 -1.1230 -0.9686 -0.9686 -0.8314 -0.8314 -0.7465 -0.7465 -0.6737 -0.6737 -0.6083 -0.6083 -0.4909 -0.4909 -0.3343 -0.3343 -0.2033 -0.2033 -0.0111 -0.0111 0.0335 0.0335 0.0464 0.0464 0.1045 0.1045 0.1706 0.1706 0.1975 0.1975 2.2775 2.2775 6.1226 6.1226 7.6559 7.6559 k = 0.5227-0.0131 0.5753 ( 9571 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7724 -14.7724 -14.7627 -14.7627 -14.3573 -14.3573 -13.7665 -13.7665 -13.1919 -13.1919 -13.1541 -13.1541 -13.1389 -13.1389 -12.5077 -12.5077 -12.4119 -12.4119 -11.6520 -11.6520 -11.6500 -11.6500 -6.6303 -6.6303 -3.0110 -3.0110 -2.6380 -2.6380 -2.5189 -2.5189 -1.4962 -1.4962 -1.4345 -1.4345 -1.2867 -1.2867 -1.2259 -1.2259 -1.1428 -1.1428 -1.1245 -1.1245 -0.9842 -0.9842 -0.8384 -0.8384 -0.7460 -0.7460 -0.6617 -0.6617 -0.6169 -0.6169 -0.5005 -0.5005 -0.3123 -0.3123 -0.2234 -0.2234 -0.0041 -0.0041 0.0291 0.0291 0.0517 0.0517 0.1015 0.1015 0.1740 0.1740 0.1904 0.1904 2.2798 2.2798 6.1255 6.1255 7.6632 7.6632 k = 0.5114-0.0066 0.5938 ( 9580 PWs) bands (ev): -17.0586 -17.0586 -17.0577 -17.0577 -14.7724 -14.7724 -14.7628 -14.7628 -14.3573 -14.3573 -13.7661 -13.7661 -13.1900 -13.1900 -13.1525 -13.1525 -13.1428 -13.1428 -12.5065 -12.5065 -12.4130 -12.4130 -11.6515 -11.6515 -11.6505 -11.6505 -6.6298 -6.6298 -3.0090 -3.0090 -2.6370 -2.6370 -2.5224 -2.5224 -1.4831 -1.4831 -1.4488 -1.4488 -1.2793 -1.2793 -1.2219 -1.2219 -1.1415 -1.1415 -1.1211 -1.1211 -0.9951 -0.9951 -0.8430 -0.8430 -0.7456 -0.7456 -0.6501 -0.6501 -0.6276 -0.6276 -0.5059 -0.5059 -0.2903 -0.2903 -0.2442 -0.2442 0.0032 0.0032 0.0213 0.0213 0.0590 0.0590 0.0976 0.0976 0.1770 0.1770 0.1849 0.1849 2.2814 2.2814 6.1274 6.1274 7.6683 7.6683 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7723 -14.7723 -14.7628 -14.7628 -14.3573 -14.3573 -13.7660 -13.7660 -13.1894 -13.1894 -13.1516 -13.1516 -13.1445 -13.1445 -12.5061 -12.5061 -12.4134 -12.4134 -11.6510 -11.6510 -11.6509 -11.6509 -6.6296 -6.6296 -3.0083 -3.0083 -2.6366 -2.6366 -2.5238 -2.5238 -1.4740 -1.4740 -1.4583 -1.4583 -1.2764 -1.2764 -1.2208 -1.2208 -1.1408 -1.1408 -1.1200 -1.1200 -0.9989 -0.9989 -0.8447 -0.8447 -0.7454 -0.7454 -0.6402 -0.6402 -0.6376 -0.6376 -0.5076 -0.5076 -0.2731 -0.2731 -0.2611 -0.2611 0.0085 0.0085 0.0157 0.0157 0.0625 0.0625 0.0954 0.0954 0.1787 0.1787 0.1824 0.1824 2.2819 2.2819 6.1281 6.1281 7.6702 7.6702 k = 0.5000-0.0000 0.6124 ( 9540 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7723 -14.7723 -14.7628 -14.7628 -14.3573 -14.3573 -13.7660 -13.7660 -13.1894 -13.1894 -13.1516 -13.1516 -13.1445 -13.1445 -12.5061 -12.5061 -12.4134 -12.4134 -11.6510 -11.6510 -11.6509 -11.6509 -6.6296 -6.6296 -3.0083 -3.0083 -2.6366 -2.6366 -2.5238 -2.5238 -1.4740 -1.4740 -1.4583 -1.4583 -1.2764 -1.2764 -1.2208 -1.2208 -1.1408 -1.1408 -1.1200 -1.1200 -0.9989 -0.9989 -0.8447 -0.8447 -0.7454 -0.7454 -0.6402 -0.6402 -0.6376 -0.6376 -0.5076 -0.5076 -0.2731 -0.2731 -0.2611 -0.2611 0.0085 0.0085 0.0157 0.0157 0.0625 0.0625 0.0954 0.0954 0.1787 0.1787 0.1824 0.1824 2.2819 2.2819 6.1281 6.1281 7.6702 7.6702 k = 0.5000 0.0131 0.5938 ( 9578 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7723 -14.7723 -14.7628 -14.7628 -14.3573 -14.3573 -13.7663 -13.7663 -13.1908 -13.1908 -13.1529 -13.1529 -13.1416 -13.1416 -12.5058 -12.5058 -12.4136 -12.4136 -11.6510 -11.6510 -11.6509 -11.6509 -6.6300 -6.6300 -3.0099 -3.0099 -2.6375 -2.6375 -2.5217 -2.5217 -1.4742 -1.4742 -1.4584 -1.4584 -1.2783 -1.2783 -1.2236 -1.2236 -1.1422 -1.1422 -1.1223 -1.1223 -0.9915 -0.9915 -0.8418 -0.8418 -0.7475 -0.7475 -0.6449 -0.6449 -0.6323 -0.6323 -0.5056 -0.5056 -0.2730 -0.2730 -0.2610 -0.2610 0.0091 0.0091 0.0162 0.0162 0.0617 0.0617 0.0944 0.0944 0.1796 0.1796 0.1832 0.1832 2.2807 2.2807 6.1265 6.1265 7.6664 7.6664 k = 0.5000 0.0262 0.5753 ( 9572 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7722 -14.7722 -14.7629 -14.7629 -14.3573 -14.3573 -13.7670 -13.7670 -13.1950 -13.1950 -13.1540 -13.1540 -13.1359 -13.1359 -12.5048 -12.5048 -12.4140 -12.4140 -11.6510 -11.6510 -11.6509 -11.6509 -6.6312 -6.6312 -3.0148 -3.0148 -2.6399 -2.6399 -2.5159 -2.5159 -1.4747 -1.4747 -1.4587 -1.4587 -1.2837 -1.2837 -1.2318 -1.2318 -1.1477 -1.1477 -1.1254 -1.1254 -0.9723 -0.9723 -0.8334 -0.8334 -0.7529 -0.7529 -0.6525 -0.6525 -0.6234 -0.6234 -0.4999 -0.4999 -0.2728 -0.2728 -0.2607 -0.2607 0.0108 0.0108 0.0178 0.0178 0.0597 0.0597 0.0919 0.0919 0.1822 0.1822 0.1857 0.1857 2.2771 2.2771 6.1219 6.1219 7.6555 7.6555 k = 0.5000 0.0394 0.5567 ( 9574 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7720 -14.7720 -14.7629 -14.7629 -14.3573 -14.3573 -13.7682 -13.7682 -13.2012 -13.2012 -13.1535 -13.1535 -13.1294 -13.1294 -12.5032 -12.5032 -12.4147 -12.4147 -11.6510 -11.6510 -11.6508 -11.6508 -6.6332 -6.6332 -3.0228 -3.0228 -2.6429 -2.6429 -2.5074 -2.5074 -1.4757 -1.4757 -1.4591 -1.4591 -1.2915 -1.2915 -1.2453 -1.2453 -1.1564 -1.1564 -1.1266 -1.1266 -0.9462 -0.9462 -0.8200 -0.8200 -0.7601 -0.7601 -0.6624 -0.6624 -0.6115 -0.6115 -0.4914 -0.4914 -0.2724 -0.2724 -0.2601 -0.2601 0.0127 0.0127 0.0201 0.0201 0.0572 0.0572 0.0884 0.0884 0.1860 0.1860 0.1894 0.1894 2.2712 2.2712 6.1143 6.1143 7.6391 7.6391 k = 0.5000 0.0525 0.5381 ( 9580 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7718 -14.7718 -14.7630 -14.7630 -14.3573 -14.3573 -13.7699 -13.7699 -13.2087 -13.2087 -13.1515 -13.1515 -13.1228 -13.1228 -12.5009 -12.5009 -12.4156 -12.4156 -11.6510 -11.6510 -11.6507 -11.6507 -6.6360 -6.6360 -3.0337 -3.0337 -2.6456 -2.6456 -2.4971 -2.4971 -1.4772 -1.4772 -1.4597 -1.4597 -1.3005 -1.3005 -1.2629 -1.2629 -1.1653 -1.1653 -1.1274 -1.1274 -0.9164 -0.9164 -0.8038 -0.8038 -0.7662 -0.7662 -0.6741 -0.6741 -0.5977 -0.5977 -0.4813 -0.4813 -0.2719 -0.2719 -0.2594 -0.2594 0.0135 0.0135 0.0226 0.0226 0.0559 0.0559 0.0849 0.0849 0.1908 0.1908 0.1941 0.1941 2.2631 2.2631 6.1036 6.1036 7.6187 7.6187 k = 0.5000 0.0656 0.5196 ( 9570 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7715 -14.7715 -14.7631 -14.7631 -14.3573 -14.3573 -13.7720 -13.7720 -13.2171 -13.2171 -13.1484 -13.1484 -13.1162 -13.1162 -12.4982 -12.4982 -12.4168 -12.4168 -11.6510 -11.6510 -11.6505 -11.6505 -6.6394 -6.6394 -3.0473 -3.0473 -2.6474 -2.6474 -2.4859 -2.4859 -1.4793 -1.4793 -1.4604 -1.4604 -1.3098 -1.3098 -1.2827 -1.2827 -1.1735 -1.1735 -1.1292 -1.1292 -0.8847 -0.8847 -0.7950 -0.7950 -0.7610 -0.7610 -0.6863 -0.6863 -0.5826 -0.5826 -0.4701 -0.4701 -0.2713 -0.2713 -0.2585 -0.2585 0.0117 0.0117 0.0244 0.0244 0.0575 0.0575 0.0828 0.0828 0.1962 0.1962 0.1993 0.1993 2.2529 2.2529 6.0900 6.0900 7.5958 7.5958 k = 0.5000 0.0787 0.5010 ( 9570 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7711 -14.7711 -14.7632 -14.7632 -14.3573 -14.3573 -13.7744 -13.7744 -13.2258 -13.2258 -13.1444 -13.1444 -13.1099 -13.1099 -12.4949 -12.4949 -12.4182 -12.4182 -11.6510 -11.6510 -11.6504 -11.6504 -6.6435 -6.6435 -3.0632 -3.0632 -2.6479 -2.6479 -2.4745 -2.4745 -1.4823 -1.4823 -1.4611 -1.4611 -1.3193 -1.3193 -1.3024 -1.3024 -1.1811 -1.1811 -1.1324 -1.1324 -0.8527 -0.8527 -0.8000 -0.8000 -0.7397 -0.7397 -0.6972 -0.6972 -0.5669 -0.5669 -0.4586 -0.4586 -0.2706 -0.2706 -0.2573 -0.2573 0.0066 0.0066 0.0239 0.0239 0.0628 0.0628 0.0834 0.0834 0.2019 0.2019 0.2049 0.2049 2.2409 2.2409 6.0737 6.0737 7.5714 7.5714 k = 0.5000 0.0919 0.4825 ( 9580 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7707 -14.7707 -14.7633 -14.7633 -14.3573 -14.3573 -13.7771 -13.7771 -13.2348 -13.2348 -13.1398 -13.1398 -13.1039 -13.1039 -12.4912 -12.4912 -12.4197 -12.4197 -11.6510 -11.6510 -11.6502 -11.6502 -6.6481 -6.6481 -3.0809 -3.0809 -2.6470 -2.6470 -2.4632 -2.4632 -1.4863 -1.4863 -1.4620 -1.4620 -1.3322 -1.3322 -1.3169 -1.3169 -1.1885 -1.1885 -1.1368 -1.1368 -0.8224 -0.8224 -0.8091 -0.8091 -0.7218 -0.7218 -0.6954 -0.6954 -0.5510 -0.5510 -0.4470 -0.4470 -0.2697 -0.2697 -0.2560 -0.2560 -0.0010 -0.0010 0.0202 0.0202 0.0714 0.0714 0.0876 0.0876 0.2076 0.2076 0.2105 0.2105 2.2272 2.2272 6.0548 6.0548 7.5465 7.5465 k = 0.5000 0.1050 0.4639 ( 9584 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7702 -14.7702 -14.7635 -14.7635 -14.3573 -14.3573 -13.7800 -13.7800 -13.2438 -13.2438 -13.1346 -13.1346 -13.0982 -13.0982 -12.4872 -12.4872 -12.4215 -12.4215 -11.6510 -11.6510 -11.6499 -11.6499 -6.6531 -6.6531 -3.1000 -3.1000 -2.6448 -2.6448 -2.4524 -2.4524 -1.4913 -1.4913 -1.4632 -1.4632 -1.3498 -1.3498 -1.3237 -1.3237 -1.1959 -1.1959 -1.1422 -1.1422 -0.8193 -0.8193 -0.7981 -0.7981 -0.7208 -0.7208 -0.6674 -0.6674 -0.5352 -0.5352 -0.4356 -0.4356 -0.2688 -0.2688 -0.2546 -0.2546 -0.0102 -0.0102 0.0139 0.0139 0.0822 0.0822 0.0949 0.0949 0.2132 0.2132 0.2161 0.2161 2.2121 2.2121 6.0335 6.0335 7.5217 7.5217 k = 0.5000 0.1181 0.4454 ( 9576 PWs) bands (ev): -17.0583 -17.0583 -17.0578 -17.0578 -14.7697 -14.7697 -14.7636 -14.7636 -14.3573 -14.3573 -13.7831 -13.7831 -13.2526 -13.2526 -13.1291 -13.1291 -13.0928 -13.0928 -12.4829 -12.4829 -12.4234 -12.4234 -11.6510 -11.6510 -11.6497 -11.6497 -6.6584 -6.6584 -3.1199 -3.1199 -2.6415 -2.6415 -2.4423 -2.4423 -1.4974 -1.4974 -1.4650 -1.4650 -1.3672 -1.3672 -1.3265 -1.3265 -1.2033 -1.2033 -1.1482 -1.1482 -0.8296 -0.8296 -0.7885 -0.7885 -0.7103 -0.7103 -0.6325 -0.6325 -0.5197 -0.5197 -0.4245 -0.4245 -0.2679 -0.2679 -0.2530 -0.2530 -0.0203 -0.0203 0.0055 0.0055 0.0944 0.0944 0.1046 0.1046 0.2186 0.2186 0.2216 0.2216 2.1959 2.1959 6.0103 6.0103 7.4978 7.4978 k = 0.5000 0.1312 0.4268 ( 9584 PWs) bands (ev): -17.0583 -17.0583 -17.0578 -17.0578 -14.7692 -14.7692 -14.7637 -14.7637 -14.3573 -14.3573 -13.7862 -13.7862 -13.2612 -13.2612 -13.1233 -13.1233 -13.0878 -13.0878 -12.4785 -12.4785 -12.4254 -12.4254 -11.6510 -11.6510 -11.6495 -11.6495 -6.6640 -6.6640 -3.1402 -3.1402 -2.6373 -2.6373 -2.4328 -2.4328 -1.5043 -1.5043 -1.4680 -1.4680 -1.3823 -1.3823 -1.3269 -1.3269 -1.2107 -1.2107 -1.1545 -1.1545 -0.8401 -0.8401 -0.7936 -0.7936 -0.6863 -0.6863 -0.5960 -0.5960 -0.5046 -0.5046 -0.4138 -0.4138 -0.2669 -0.2669 -0.2514 -0.2514 -0.0312 -0.0312 -0.0041 -0.0041 0.1076 0.1076 0.1159 0.1159 0.2236 0.2236 0.2268 0.2268 2.1789 2.1789 5.9854 5.9854 7.4749 7.4749 k = 0.5000 0.1443 0.4082 ( 9584 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7687 -14.7687 -14.7639 -14.7639 -14.3573 -14.3573 -13.7894 -13.7894 -13.2694 -13.2694 -13.1175 -13.1175 -13.0832 -13.0832 -12.4740 -12.4740 -12.4275 -12.4275 -11.6510 -11.6510 -11.6492 -11.6492 -6.6696 -6.6696 -3.1605 -3.1605 -2.6325 -2.6325 -2.4241 -2.4241 -1.5119 -1.5119 -1.4729 -1.4729 -1.3936 -1.3936 -1.3252 -1.3252 -1.2182 -1.2182 -1.1608 -1.1608 -0.8505 -0.8505 -0.8053 -0.8053 -0.6566 -0.6566 -0.5593 -0.5593 -0.4898 -0.4898 -0.4036 -0.4036 -0.2660 -0.2660 -0.2496 -0.2496 -0.0424 -0.0424 -0.0145 -0.0145 0.1212 0.1212 0.1281 0.1281 0.2283 0.2283 0.2317 0.2317 2.1614 2.1614 5.9595 5.9595 7.4535 7.4535 k = 0.5000 0.1575 0.3897 ( 9586 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7682 -14.7682 -14.7640 -14.7640 -14.3573 -14.3573 -13.7925 -13.7925 -13.2772 -13.2772 -13.1119 -13.1119 -13.0789 -13.0789 -12.4695 -12.4695 -12.4296 -12.4296 -11.6510 -11.6510 -11.6490 -11.6490 -6.6752 -6.6752 -3.1802 -3.1802 -2.6274 -2.6274 -2.4162 -2.4162 -1.5201 -1.5201 -1.4800 -1.4800 -1.4007 -1.4007 -1.3220 -1.3220 -1.2257 -1.2257 -1.1667 -1.1667 -0.8609 -0.8609 -0.8191 -0.8191 -0.6256 -0.6256 -0.5239 -0.5239 -0.4749 -0.4749 -0.3938 -0.3938 -0.2651 -0.2651 -0.2479 -0.2479 -0.0538 -0.0538 -0.0254 -0.0254 0.1350 0.1350 0.1408 0.1408 0.2327 0.2327 0.2362 0.2362 2.1439 2.1439 5.9329 5.9329 7.4338 7.4338 k = 0.5000 0.1706 0.3711 ( 9588 PWs) bands (ev): -17.0581 -17.0581 -17.0578 -17.0578 -14.7677 -14.7677 -14.7642 -14.7642 -14.3573 -14.3573 -13.7955 -13.7955 -13.2846 -13.2846 -13.1064 -13.1064 -13.0749 -13.0749 -12.4651 -12.4651 -12.4317 -12.4317 -11.6510 -11.6510 -11.6487 -11.6487 -6.6807 -6.6807 -3.1992 -3.1992 -2.6223 -2.6223 -2.4090 -2.4090 -1.5284 -1.5284 -1.4889 -1.4889 -1.4037 -1.4037 -1.3177 -1.3177 -1.2330 -1.2330 -1.1720 -1.1720 -0.8711 -0.8711 -0.8336 -0.8336 -0.5948 -0.5948 -0.4922 -0.4922 -0.4580 -0.4580 -0.3846 -0.3846 -0.2644 -0.2644 -0.2461 -0.2461 -0.0653 -0.0653 -0.0368 -0.0368 0.1487 0.1487 0.1537 0.1537 0.2366 0.2366 0.2402 0.2402 2.1265 2.1265 5.9064 5.9064 7.4160 7.4160 k = 0.5000 0.1837 0.3526 ( 9590 PWs) bands (ev): -17.0581 -17.0581 -17.0578 -17.0578 -14.7672 -14.7672 -14.7643 -14.7643 -14.3573 -14.3573 -13.7984 -13.7984 -13.2913 -13.2913 -13.1013 -13.1013 -13.0712 -13.0712 -12.4610 -12.4610 -12.4337 -12.4337 -11.6510 -11.6510 -11.6485 -11.6485 -6.6860 -6.6860 -3.2169 -3.2169 -2.6172 -2.6172 -2.4025 -2.4025 -1.5367 -1.5367 -1.4986 -1.4986 -1.4035 -1.4035 -1.3127 -1.3127 -1.2401 -1.2401 -1.1767 -1.1767 -0.8812 -0.8812 -0.8479 -0.8479 -0.5652 -0.5652 -0.4690 -0.4690 -0.4351 -0.4351 -0.3759 -0.3759 -0.2637 -0.2637 -0.2444 -0.2444 -0.0768 -0.0768 -0.0484 -0.0484 0.1618 0.1618 0.1663 0.1663 0.2401 0.2401 0.2437 0.2437 2.1098 2.1098 5.8804 5.8804 7.4000 7.4000 k = 0.5000 0.1968 0.3340 ( 9584 PWs) bands (ev): -17.0581 -17.0581 -17.0578 -17.0578 -14.7668 -14.7668 -14.7644 -14.7644 -14.3573 -14.3573 -13.8010 -13.8010 -13.2974 -13.2974 -13.0967 -13.0967 -13.0677 -13.0677 -12.4571 -12.4571 -12.4357 -12.4357 -11.6510 -11.6510 -11.6483 -11.6483 -6.6908 -6.6908 -3.2332 -3.2332 -2.6125 -2.6125 -2.3967 -2.3967 -1.5448 -1.5448 -1.5083 -1.5083 -1.4010 -1.4010 -1.3075 -1.3075 -1.2467 -1.2467 -1.1806 -1.1806 -0.8909 -0.8909 -0.8616 -0.8616 -0.5376 -0.5376 -0.4539 -0.4539 -0.4071 -0.4071 -0.3675 -0.3675 -0.2630 -0.2630 -0.2427 -0.2427 -0.0881 -0.0881 -0.0602 -0.0602 0.1743 0.1743 0.1784 0.1784 0.2430 0.2430 0.2467 0.2467 2.0940 2.0940 5.8557 5.8557 7.3860 7.3860 k = 0.5000 0.2099 0.3155 ( 9572 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7663 -14.7663 -14.7646 -14.7646 -14.3573 -14.3573 -13.8034 -13.8034 -13.3028 -13.3028 -13.0927 -13.0927 -13.0646 -13.0646 -12.4536 -12.4536 -12.4374 -12.4374 -11.6510 -11.6510 -11.6481 -11.6481 -6.6953 -6.6953 -3.2478 -3.2478 -2.6082 -2.6082 -2.3916 -2.3916 -1.5523 -1.5523 -1.5173 -1.5173 -1.3971 -1.3971 -1.3029 -1.3029 -1.2526 -1.2526 -1.1836 -1.1836 -0.9002 -0.9002 -0.8743 -0.8743 -0.5124 -0.5124 -0.4425 -0.4425 -0.3794 -0.3794 -0.3590 -0.3590 -0.2622 -0.2622 -0.2411 -0.2411 -0.0990 -0.0990 -0.0720 -0.0720 0.1857 0.1857 0.1897 0.1897 0.2455 0.2455 0.2491 0.2491 2.0794 2.0794 5.8329 5.8329 7.3739 7.3739 k = 0.5000 0.2231 0.2969 ( 9574 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7660 -14.7660 -14.7646 -14.7646 -14.3573 -14.3573 -13.8054 -13.8054 -13.3074 -13.3074 -13.0892 -13.0892 -13.0618 -13.0618 -12.4505 -12.4505 -12.4390 -12.4390 -11.6510 -11.6510 -11.6479 -11.6479 -6.6992 -6.6992 -3.2605 -3.2605 -2.6045 -2.6045 -2.3873 -2.3873 -1.5592 -1.5592 -1.5252 -1.5252 -1.3923 -1.3923 -1.2994 -1.2994 -1.2573 -1.2573 -1.1858 -1.1858 -0.9087 -0.9087 -0.8856 -0.8856 -0.4905 -0.4905 -0.4328 -0.4328 -0.3590 -0.3590 -0.3461 -0.3461 -0.2611 -0.2611 -0.2397 -0.2397 -0.1093 -0.1093 -0.0838 -0.0838 0.1958 0.1958 0.2000 0.2000 0.2474 0.2474 0.2511 0.2511 2.0665 2.0665 5.8124 5.8124 7.3638 7.3638 k = 0.5000 0.2362 0.2784 ( 9578 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7657 -14.7657 -14.7647 -14.7647 -14.3573 -14.3573 -13.8072 -13.8072 -13.3113 -13.3113 -13.0864 -13.0864 -13.0594 -13.0594 -12.4478 -12.4478 -12.4404 -12.4404 -11.6510 -11.6510 -11.6478 -11.6478 -6.7025 -6.7025 -3.2711 -3.2711 -2.6014 -2.6014 -2.3837 -2.3837 -1.5651 -1.5651 -1.5318 -1.5318 -1.3872 -1.3872 -1.2975 -1.2975 -1.2606 -1.2606 -1.1872 -1.1872 -0.9164 -0.9164 -0.8952 -0.8952 -0.4726 -0.4726 -0.4239 -0.4239 -0.3500 -0.3500 -0.3261 -0.3261 -0.2593 -0.2593 -0.2384 -0.2384 -0.1188 -0.1188 -0.0953 -0.0953 0.2045 0.2045 0.2092 0.2092 0.2485 0.2485 0.2527 0.2527 2.0555 2.0555 5.7949 5.7949 7.3555 7.3555 k = 0.5000 0.2493 0.2598 ( 9580 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7655 -14.7655 -14.7647 -14.7647 -14.3573 -14.3573 -13.8085 -13.8085 -13.3143 -13.3143 -13.0843 -13.0843 -13.0574 -13.0574 -12.4458 -12.4458 -12.4415 -12.4415 -11.6510 -11.6510 -11.6476 -11.6476 -6.7052 -6.7052 -3.2795 -3.2795 -2.5989 -2.5989 -2.3808 -2.3808 -1.5700 -1.5700 -1.5370 -1.5370 -1.3822 -1.3822 -1.2973 -1.2973 -1.2623 -1.2623 -1.1880 -1.1880 -0.9228 -0.9228 -0.9030 -0.9030 -0.4591 -0.4591 -0.4159 -0.4159 -0.3442 -0.3442 -0.3090 -0.3090 -0.2560 -0.2560 -0.2373 -0.2373 -0.1269 -0.1269 -0.1060 -0.1060 0.2115 0.2115 0.2170 0.2170 0.2489 0.2489 0.2539 0.2539 2.0467 2.0467 5.7808 5.7808 7.3492 7.3492 k = 0.5000 0.2624 0.2412 ( 9588 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7647 -14.7647 -14.3573 -14.3573 -13.8095 -13.8095 -13.3165 -13.3165 -13.0828 -13.0828 -13.0559 -13.0559 -12.4443 -12.4443 -12.4422 -12.4422 -11.6510 -11.6510 -11.6476 -11.6476 -6.7071 -6.7071 -3.2856 -3.2856 -2.5971 -2.5971 -2.3787 -2.3787 -1.5735 -1.5735 -1.5407 -1.5407 -1.3780 -1.3780 -1.2983 -1.2983 -1.2628 -1.2628 -1.1883 -1.1883 -0.9278 -0.9277 -0.9086 -0.9086 -0.4502 -0.4502 -0.4090 -0.4090 -0.3399 -0.3399 -0.2977 -0.2977 -0.2510 -0.2510 -0.2364 -0.2364 -0.1332 -0.1332 -0.1152 -0.1152 0.2166 0.2166 0.2231 0.2231 0.2487 0.2487 0.2548 0.2548 2.0402 2.0402 5.7705 5.7705 7.3446 7.3446 k = 0.5000 0.2756 0.2227 ( 9578 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8101 -13.8101 -13.3178 -13.3178 -13.0819 -13.0819 -13.0550 -13.0550 -12.4435 -12.4435 -12.4425 -12.4425 -11.6510 -11.6510 -11.6475 -11.6475 -6.7083 -6.7083 -3.2893 -3.2893 -2.5961 -2.5961 -2.3775 -2.3775 -1.5757 -1.5757 -1.5429 -1.5429 -1.3752 -1.3752 -1.2995 -1.2995 -1.2628 -1.2628 -1.1884 -1.1884 -0.9308 -0.9308 -0.9121 -0.9121 -0.4452 -0.4452 -0.4043 -0.4043 -0.3371 -0.3371 -0.2921 -0.2921 -0.2462 -0.2462 -0.2357 -0.2357 -0.1372 -0.1372 -0.1217 -0.1217 0.2197 0.2197 0.2272 0.2272 0.2482 0.2482 0.2553 0.2553 2.0363 2.0363 5.7641 5.7641 7.3419 7.3419 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8104 -13.8104 -13.3183 -13.3183 -13.0816 -13.0816 -13.0547 -13.0547 -12.4434 -12.4434 -12.4425 -12.4425 -11.6510 -11.6510 -11.6475 -11.6475 -6.7087 -6.7087 -3.2905 -3.2905 -2.5957 -2.5957 -2.3771 -2.3771 -1.5764 -1.5764 -1.5437 -1.5437 -1.3742 -1.3742 -1.3000 -1.3000 -1.2627 -1.2627 -1.1884 -1.1884 -0.9319 -0.9319 -0.9132 -0.9132 -0.4436 -0.4436 -0.4027 -0.4027 -0.3361 -0.3361 -0.2905 -0.2905 -0.2442 -0.2442 -0.2353 -0.2353 -0.1386 -0.1386 -0.1241 -0.1241 0.2208 0.2208 0.2287 0.2287 0.2479 0.2479 0.2555 0.2555 2.0350 2.0350 5.7620 5.7620 7.3410 7.3410 k = 0.5000 0.2887 0.2041 ( 9588 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8104 -13.8104 -13.3183 -13.3183 -13.0816 -13.0816 -13.0547 -13.0547 -12.4434 -12.4434 -12.4425 -12.4425 -11.6510 -11.6510 -11.6475 -11.6475 -6.7087 -6.7087 -3.2905 -3.2905 -2.5957 -2.5957 -2.3771 -2.3771 -1.5764 -1.5764 -1.5437 -1.5437 -1.3742 -1.3742 -1.3000 -1.3000 -1.2627 -1.2627 -1.1884 -1.1884 -0.9319 -0.9319 -0.9132 -0.9132 -0.4436 -0.4436 -0.4027 -0.4027 -0.3361 -0.3361 -0.2905 -0.2905 -0.2442 -0.2442 -0.2353 -0.2353 -0.1386 -0.1386 -0.1241 -0.1241 0.2208 0.2208 0.2287 0.2287 0.2479 0.2479 0.2555 0.2555 2.0350 2.0350 5.7620 5.7620 7.3410 7.3410 k = 0.4934 0.2849 0.2256 ( 9575 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7646 -14.7646 -14.3573 -14.3573 -13.8101 -13.8101 -13.3178 -13.3178 -13.0819 -13.0819 -13.0550 -13.0550 -12.4435 -12.4435 -12.4425 -12.4425 -11.6510 -11.6510 -11.6475 -11.6475 -6.7083 -6.7083 -3.2893 -3.2893 -2.5961 -2.5961 -2.3775 -2.3775 -1.5757 -1.5757 -1.5429 -1.5429 -1.3752 -1.3752 -1.2995 -1.2995 -1.2628 -1.2628 -1.1884 -1.1884 -0.9308 -0.9308 -0.9121 -0.9121 -0.4452 -0.4452 -0.4043 -0.4043 -0.3371 -0.3371 -0.2921 -0.2921 -0.2462 -0.2462 -0.2357 -0.2357 -0.1372 -0.1372 -0.1217 -0.1217 0.2197 0.2197 0.2272 0.2272 0.2482 0.2482 0.2553 0.2553 2.0363 2.0363 5.7641 5.7641 7.3419 7.3419 k = 0.4868 0.2811 0.2471 ( 9583 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7654 -14.7654 -14.7647 -14.7647 -14.3573 -14.3573 -13.8095 -13.8095 -13.3165 -13.3165 -13.0828 -13.0828 -13.0559 -13.0559 -12.4443 -12.4443 -12.4422 -12.4422 -11.6510 -11.6510 -11.6476 -11.6476 -6.7071 -6.7071 -3.2856 -3.2856 -2.5971 -2.5971 -2.3788 -2.3788 -1.5735 -1.5735 -1.5407 -1.5407 -1.3781 -1.3781 -1.2983 -1.2983 -1.2628 -1.2628 -1.1883 -1.1883 -0.9277 -0.9277 -0.9086 -0.9086 -0.4502 -0.4502 -0.4091 -0.4091 -0.3399 -0.3399 -0.2978 -0.2978 -0.2512 -0.2512 -0.2364 -0.2364 -0.1332 -0.1332 -0.1152 -0.1152 0.2165 0.2165 0.2232 0.2232 0.2486 0.2486 0.2549 0.2549 2.0403 2.0403 5.7705 5.7705 7.3447 7.3447 k = 0.4803 0.2773 0.2686 ( 9579 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7655 -14.7655 -14.7647 -14.7647 -14.3573 -14.3573 -13.8085 -13.8085 -13.3143 -13.3143 -13.0843 -13.0843 -13.0574 -13.0574 -12.4458 -12.4458 -12.4414 -12.4414 -11.6510 -11.6510 -11.6476 -11.6476 -6.7051 -6.7051 -3.2795 -3.2795 -2.5989 -2.5989 -2.3808 -2.3808 -1.5699 -1.5699 -1.5369 -1.5369 -1.3823 -1.3823 -1.2972 -1.2972 -1.2624 -1.2624 -1.1880 -1.1880 -0.9228 -0.9228 -0.9029 -0.9029 -0.4591 -0.4591 -0.4161 -0.4161 -0.3442 -0.3442 -0.3090 -0.3090 -0.2568 -0.2568 -0.2367 -0.2367 -0.1268 -0.1268 -0.1059 -0.1059 0.2108 0.2108 0.2179 0.2179 0.2477 0.2477 0.2548 0.2548 2.0468 2.0468 5.7809 5.7809 7.3492 7.3492 k = 0.4737 0.2735 0.2901 ( 9575 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7657 -14.7657 -14.7647 -14.7647 -14.3573 -14.3573 -13.8071 -13.8071 -13.3112 -13.3112 -13.0865 -13.0865 -13.0594 -13.0594 -12.4479 -12.4479 -12.4403 -12.4403 -11.6510 -11.6510 -11.6478 -11.6478 -6.7025 -6.7025 -3.2710 -3.2710 -2.6014 -2.6014 -2.3837 -2.3837 -1.5651 -1.5651 -1.5317 -1.5317 -1.3873 -1.3873 -1.2970 -1.2970 -1.2613 -1.2613 -1.1870 -1.1870 -0.9163 -0.9163 -0.8952 -0.8952 -0.4723 -0.4723 -0.4248 -0.4248 -0.3496 -0.3496 -0.3260 -0.3260 -0.2619 -0.2619 -0.2362 -0.2362 -0.1188 -0.1188 -0.0951 -0.0951 0.2022 0.2022 0.2124 0.2124 0.2446 0.2446 0.2555 0.2555 2.0557 2.0557 5.7951 5.7951 7.3556 7.3556 k = 0.4671 0.2697 0.3116 ( 9568 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7660 -14.7660 -14.7646 -14.7646 -14.3573 -14.3573 -13.8054 -13.8054 -13.3073 -13.3073 -13.0893 -13.0893 -13.0618 -13.0618 -12.4506 -12.4506 -12.4389 -12.4389 -11.6510 -11.6510 -11.6479 -11.6479 -6.6992 -6.6992 -3.2604 -3.2604 -2.6045 -2.6045 -2.3873 -2.3873 -1.5592 -1.5592 -1.5250 -1.5250 -1.3925 -1.3925 -1.2979 -1.2979 -1.2594 -1.2594 -1.1851 -1.1851 -0.9084 -0.9084 -0.8856 -0.8856 -0.4897 -0.4897 -0.4350 -0.4350 -0.3579 -0.3579 -0.3454 -0.3454 -0.2674 -0.2674 -0.2344 -0.2344 -0.1095 -0.1095 -0.0836 -0.0836 0.1913 0.1913 0.2067 0.2067 0.2395 0.2395 0.2566 0.2566 2.0667 2.0667 5.8127 5.8127 7.3639 7.3639 k = 0.4605 0.2659 0.3330 ( 9578 PWs) bands (ev): -17.0580 -17.0580 -17.0578 -17.0578 -14.7664 -14.7664 -14.7645 -14.7645 -14.3573 -14.3573 -13.8033 -13.8033 -13.3027 -13.3027 -13.0928 -13.0928 -13.0645 -13.0645 -12.4539 -12.4539 -12.4371 -12.4371 -11.6510 -11.6510 -11.6481 -11.6481 -6.6952 -6.6952 -3.2476 -3.2476 -2.6083 -2.6083 -2.3916 -2.3916 -1.5526 -1.5526 -1.5168 -1.5168 -1.3974 -1.3974 -1.2999 -1.2999 -1.2573 -1.2573 -1.1818 -1.1818 -0.8995 -0.8995 -0.8746 -0.8746 -0.5107 -0.5107 -0.4469 -0.4469 -0.3787 -0.3787 -0.3559 -0.3559 -0.2738 -0.2738 -0.2312 -0.2312 -0.0995 -0.0995 -0.0719 -0.0719 0.1788 0.1788 0.2007 0.2007 0.2326 0.2326 0.2576 0.2576 2.0797 2.0797 5.8332 5.8332 7.3741 7.3741 k = 0.4539 0.2621 0.3545 ( 9581 PWs) bands (ev): -17.0581 -17.0581 -17.0578 -17.0578 -14.7668 -14.7668 -14.7644 -14.7644 -14.3573 -14.3573 -13.8009 -13.8009 -13.2973 -13.2973 -13.0970 -13.0970 -13.0675 -13.0675 -12.4577 -12.4577 -12.4351 -12.4351 -11.6510 -11.6510 -11.6482 -11.6482 -6.6908 -6.6908 -3.2330 -3.2330 -2.6126 -2.6126 -2.3966 -2.3966 -1.5456 -1.5456 -1.5071 -1.5071 -1.4016 -1.4016 -1.3023 -1.3023 -1.2557 -1.2557 -1.1767 -1.1767 -0.8898 -0.8898 -0.8623 -0.8623 -0.5345 -0.5345 -0.4606 -0.4606 -0.4073 -0.4073 -0.3611 -0.3611 -0.2816 -0.2816 -0.2266 -0.2266 -0.0890 -0.0890 -0.0601 -0.0601 0.1651 0.1651 0.1942 0.1942 0.2243 0.2243 0.2583 0.2583 2.0942 2.0942 5.8561 5.8561 7.3863 7.3863 k = 0.4474 0.2583 0.3760 ( 9571 PWs) bands (ev): -17.0581 -17.0581 -17.0578 -17.0578 -14.7673 -14.7673 -14.7643 -14.7643 -14.3573 -14.3573 -13.7983 -13.7983 -13.2912 -13.2912 -13.1019 -13.1019 -13.0707 -13.0707 -12.4620 -12.4620 -12.4328 -12.4328 -11.6510 -11.6510 -11.6484 -11.6484 -6.6859 -6.6859 -3.2167 -3.2167 -2.6173 -2.6173 -2.4022 -2.4022 -1.5387 -1.5387 -1.4960 -1.4960 -1.4045 -1.4045 -1.3047 -1.3047 -1.2550 -1.2550 -1.1697 -1.1697 -0.8793 -0.8793 -0.8492 -0.8492 -0.5607 -0.5607 -0.4763 -0.4763 -0.4387 -0.4387 -0.3651 -0.3651 -0.2907 -0.2907 -0.2208 -0.2208 -0.0784 -0.0784 -0.0485 -0.0485 0.1505 0.1505 0.1872 0.1872 0.2148 0.2148 0.2588 0.2588 2.1100 2.1100 5.8807 5.8807 7.4003 7.4003 k = 0.4408 0.2545 0.3975 ( 9585 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7678 -14.7678 -14.7641 -14.7641 -14.3573 -14.3573 -13.7955 -13.7955 -13.2844 -13.2844 -13.1074 -13.1074 -13.0739 -13.0739 -12.4667 -12.4667 -12.4303 -12.4303 -11.6511 -11.6511 -11.6486 -11.6486 -6.6806 -6.6806 -3.1991 -3.1991 -2.6223 -2.6223 -2.4083 -2.4083 -1.5325 -1.5325 -1.4834 -1.4834 -1.4055 -1.4055 -1.3067 -1.3067 -1.2555 -1.2555 -1.1608 -1.1608 -0.8683 -0.8683 -0.8356 -0.8356 -0.5886 -0.5886 -0.4943 -0.4943 -0.4713 -0.4713 -0.3685 -0.3685 -0.3011 -0.3011 -0.2141 -0.2141 -0.0678 -0.0678 -0.0373 -0.0373 0.1356 0.1356 0.1794 0.1794 0.2048 0.2048 0.2589 0.2589 2.1267 2.1267 5.9065 5.9065 7.4163 7.4163 k = 0.4342 0.2507 0.4190 ( 9587 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7683 -14.7683 -14.7639 -14.7639 -14.3573 -14.3573 -13.7925 -13.7925 -13.2772 -13.2772 -13.1134 -13.1134 -13.0773 -13.0773 -12.4717 -12.4717 -12.4276 -12.4276 -11.6512 -11.6512 -11.6488 -11.6488 -6.6752 -6.6752 -3.1804 -3.1804 -2.6274 -2.6274 -2.4149 -2.4149 -1.5276 -1.5276 -1.4696 -1.4696 -1.4043 -1.4043 -1.3079 -1.3079 -1.2573 -1.2573 -1.1503 -1.1503 -0.8569 -0.8569 -0.8219 -0.8219 -0.6178 -0.6178 -0.5164 -0.5164 -0.5022 -0.5022 -0.3715 -0.3715 -0.3127 -0.3127 -0.2065 -0.2065 -0.0575 -0.0575 -0.0266 -0.0266 0.1207 0.1207 0.1705 0.1705 0.1948 0.1948 0.2586 0.2586 2.1440 2.1440 5.9327 5.9327 7.4342 7.4342 k = 0.4276 0.2469 0.4405 ( 9573 PWs) bands (ev): -17.0582 -17.0582 -17.0578 -17.0578 -14.7689 -14.7689 -14.7637 -14.7637 -14.3573 -14.3573 -13.7894 -13.7894 -13.2694 -13.2694 -13.1197 -13.1197 -13.0806 -13.0806 -12.4771 -12.4771 -12.4247 -12.4247 -11.6513 -11.6513 -11.6489 -11.6489 -6.6696 -6.6696 -3.1610 -3.1610 -2.6323 -2.6323 -2.4219 -2.4219 -1.5244 -1.5244 -1.4546 -1.4546 -1.4002 -1.4002 -1.3082 -1.3082 -1.2602 -1.2602 -1.1385 -1.1385 -0.8452 -0.8452 -0.8087 -0.8087 -0.6478 -0.6478 -0.5472 -0.5472 -0.5256 -0.5256 -0.3743 -0.3743 -0.3252 -0.3252 -0.1982 -0.1982 -0.0475 -0.0475 -0.0168 -0.0168 0.1065 0.1065 0.1602 0.1602 0.1855 0.1855 0.2580 0.2580 2.1614 2.1614 5.9587 5.9587 7.4537 7.4537 k = 0.4211 0.2431 0.4620 ( 9576 PWs) bands (ev): -17.0583 -17.0583 -17.0577 -17.0577 -14.7695 -14.7695 -14.7635 -14.7635 -14.3573 -14.3573 -13.7863 -13.7863 -13.2613 -13.2613 -13.1264 -13.1264 -13.0841 -13.0841 -12.4828 -12.4828 -12.4217 -12.4217 -11.6515 -11.6515 -11.6489 -11.6489 -6.6640 -6.6640 -3.1415 -3.1415 -2.6367 -2.6367 -2.4293 -2.4293 -1.5232 -1.5232 -1.4388 -1.4388 -1.3933 -1.3933 -1.3075 -1.3075 -1.2642 -1.2642 -1.1258 -1.1258 -0.8333 -0.8333 -0.7963 -0.7963 -0.6782 -0.6782 -0.5817 -0.5817 -0.5451 -0.5451 -0.3771 -0.3771 -0.3385 -0.3385 -0.1893 -0.1893 -0.0382 -0.0382 -0.0084 -0.0084 0.0936 0.0936 0.1483 0.1483 0.1775 0.1775 0.2570 0.2570 2.1785 2.1785 5.9838 5.9838 7.4747 7.4747 k = 0.4145 0.2393 0.4835 ( 9576 PWs) bands (ev): -17.0583 -17.0583 -17.0577 -17.0577 -14.7700 -14.7700 -14.7633 -14.7633 -14.3573 -14.3573 -13.7832 -13.7832 -13.2530 -13.2530 -13.1331 -13.1331 -13.0875 -13.0875 -12.4886 -12.4886 -12.4185 -12.4185 -11.6518 -11.6518 -11.6488 -11.6488 -6.6586 -6.6586 -3.1222 -3.1222 -2.6404 -2.6404 -2.4369 -2.4369 -1.5240 -1.5240 -1.4224 -1.4224 -1.3837 -1.3837 -1.3060 -1.3060 -1.2690 -1.2690 -1.1128 -1.1128 -0.8214 -0.8214 -0.7855 -0.7855 -0.7084 -0.7084 -0.6162 -0.6162 -0.5627 -0.5627 -0.3802 -0.3802 -0.3523 -0.3523 -0.1798 -0.1798 -0.0299 -0.0299 -0.0025 -0.0025 0.0834 0.0834 0.1356 0.1356 0.1706 0.1706 0.2557 0.2557 2.1951 2.1951 6.0075 6.0075 7.4967 7.4967 k = 0.4079 0.2355 0.5049 ( 9574 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7706 -14.7706 -14.7630 -14.7630 -14.3573 -14.3573 -13.7802 -13.7802 -13.2446 -13.2446 -13.1396 -13.1396 -13.0909 -13.0909 -12.4946 -12.4946 -12.4152 -12.4152 -11.6522 -11.6522 -11.6487 -11.6487 -6.6535 -6.6535 -3.1038 -3.1038 -2.6430 -2.6430 -2.4445 -2.4445 -1.5266 -1.5266 -1.4058 -1.4058 -1.3717 -1.3717 -1.3039 -1.3039 -1.2742 -1.2742 -1.1000 -1.1000 -0.8098 -0.8098 -0.7768 -0.7768 -0.7376 -0.7376 -0.6493 -0.6493 -0.5778 -0.5778 -0.3845 -0.3845 -0.3657 -0.3657 -0.1697 -0.1697 -0.0230 -0.0230 -0.0000 -0.0000 0.0773 0.0773 0.1228 0.1228 0.1647 0.1647 0.2540 0.2540 2.2106 2.2106 6.0292 6.0292 7.5193 7.5193 k = 0.4013 0.2317 0.5264 ( 9578 PWs) bands (ev): -17.0584 -17.0584 -17.0577 -17.0577 -14.7712 -14.7712 -14.7628 -14.7628 -14.3573 -14.3573 -13.7775 -13.7775 -13.2363 -13.2363 -13.1459 -13.1459 -13.0943 -13.0943 -12.5005 -12.5005 -12.4118 -12.4118 -11.6525 -11.6525 -11.6486 -11.6486 -6.6488 -6.6488 -3.0868 -3.0868 -2.6443 -2.6443 -2.4522 -2.4522 -1.5307 -1.5307 -1.3893 -1.3893 -1.3580 -1.3580 -1.3023 -1.3023 -1.2786 -1.2786 -1.0883 -1.0883 -0.8005 -0.8005 -0.7711 -0.7711 -0.7632 -0.7632 -0.6799 -0.6799 -0.5894 -0.5894 -0.3921 -0.3921 -0.3766 -0.3766 -0.1593 -0.1593 -0.0186 -0.0186 -0.0013 -0.0013 0.0762 0.0762 0.1109 0.1109 0.1596 0.1596 0.2521 0.2521 2.2247 2.2247 6.0485 6.0485 7.5416 7.5416 k = 0.3947 0.2279 0.5479 ( 9581 PWs) bands (ev): -17.0585 -17.0585 -17.0577 -17.0577 -14.7717 -14.7717 -14.7625 -14.7625 -14.3573 -14.3573 -13.7751 -13.7751 -13.2283 -13.2283 -13.1514 -13.1514 -13.0977 -13.0977 -12.5064 -12.5064 -12.4083 -12.4083 -11.6529 -11.6529 -11.6484 -11.6484 -6.6447 -6.6447 -3.0717 -3.0717 -2.6441 -2.6441 -2.4595 -2.4595 -1.5360 -1.5360 -1.3737 -1.3737 -1.3439 -1.3439 -1.3023 -1.3023 -1.2802 -1.2802 -1.0792 -1.0792 -0.8044 -0.8044 -0.7746 -0.7746 -0.7675 -0.7675 -0.7070 -0.7070 -0.5966 -0.5966 -0.4046 -0.4046 -0.3831 -0.3831 -0.1484 -0.1484 -0.0184 -0.0184 -0.0046 -0.0046 0.0793 0.0793 0.1011 0.1011 0.1553 0.1553 0.2500 0.2500 2.2370 2.2370 6.0652 6.0652 7.5628 7.5628 k = 0.3882 0.2241 0.5694 ( 9588 PWs) bands (ev): -17.0585 -17.0585 -17.0576 -17.0576 -14.7722 -14.7722 -14.7623 -14.7623 -14.3573 -14.3573 -13.7731 -13.7731 -13.2211 -13.2211 -13.1560 -13.1560 -13.1010 -13.1010 -12.5122 -12.5122 -12.4049 -12.4049 -11.6533 -11.6533 -11.6481 -11.6481 -6.6412 -6.6412 -3.0588 -3.0588 -2.6428 -2.6428 -2.4662 -2.4662 -1.5425 -1.5425 -1.3608 -1.3608 -1.3316 -1.3316 -1.3010 -1.3010 -1.2786 -1.2786 -1.0744 -1.0744 -0.8225 -0.8225 -0.7734 -0.7734 -0.7619 -0.7619 -0.7292 -0.7292 -0.5989 -0.5989 -0.4197 -0.4197 -0.3876 -0.3876 -0.1373 -0.1373 -0.0233 -0.0233 -0.0081 -0.0081 0.0849 0.0849 0.0949 0.0949 0.1518 0.1518 0.2476 0.2476 2.2473 2.2473 6.0791 6.0791 7.5820 7.5820 k = 0.3816 0.2203 0.5909 ( 9577 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7726 -14.7726 -14.7620 -14.7620 -14.3573 -14.3573 -13.7715 -13.7715 -13.2151 -13.2151 -13.1591 -13.1591 -13.1042 -13.1042 -12.5176 -12.5176 -12.4014 -12.4014 -11.6537 -11.6537 -11.6479 -11.6479 -6.6385 -6.6385 -3.0485 -3.0485 -2.6406 -2.6406 -2.4720 -2.4720 -1.5499 -1.5499 -1.3553 -1.3553 -1.3215 -1.3215 -1.2928 -1.2928 -1.2750 -1.2750 -1.0758 -1.0758 -0.8392 -0.8392 -0.7755 -0.7755 -0.7562 -0.7562 -0.7410 -0.7410 -0.5971 -0.5971 -0.4354 -0.4354 -0.3918 -0.3918 -0.1260 -0.1260 -0.0309 -0.0309 -0.0133 -0.0133 0.0885 0.0885 0.0958 0.0958 0.1490 0.1490 0.2451 0.2451 2.2553 2.2553 6.0899 6.0899 7.5982 7.5982 k = 0.3750 0.2165 0.6124 ( 9589 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7705 -13.7705 -13.2107 -13.2107 -13.1602 -13.1602 -13.1072 -13.1072 -12.5227 -12.5227 -12.3979 -12.3979 -11.6542 -11.6542 -11.6476 -11.6476 -6.6366 -6.6366 -3.0406 -3.0406 -2.6382 -2.6382 -2.4765 -2.4765 -1.5583 -1.5583 -1.3597 -1.3597 -1.3093 -1.3093 -1.2818 -1.2818 -1.2680 -1.2680 -1.0848 -1.0848 -0.8508 -0.8508 -0.7786 -0.7786 -0.7620 -0.7620 -0.7329 -0.7329 -0.5921 -0.5921 -0.4513 -0.4513 -0.3960 -0.3960 -0.1146 -0.1146 -0.0388 -0.0388 -0.0209 -0.0209 0.0899 0.0899 0.1033 0.1033 0.1472 0.1472 0.2425 0.2425 2.2606 2.2606 6.0978 6.0978 7.6104 7.6104 k = 0.6250-0.0722 0.4082 ( 9589 PWs) bands (ev): -17.0586 -17.0586 -17.0576 -17.0576 -14.7730 -14.7730 -14.7618 -14.7618 -14.3573 -14.3573 -13.7705 -13.7705 -13.2107 -13.2107 -13.1602 -13.1602 -13.1072 -13.1072 -12.5227 -12.5227 -12.3979 -12.3979 -11.6542 -11.6542 -11.6476 -11.6476 -6.6366 -6.6366 -3.0406 -3.0406 -2.6382 -2.6382 -2.4765 -2.4765 -1.5583 -1.5583 -1.3597 -1.3597 -1.3093 -1.3093 -1.2818 -1.2818 -1.2680 -1.2680 -1.0848 -1.0848 -0.8508 -0.8508 -0.7786 -0.7786 -0.7620 -0.7620 -0.7329 -0.7329 -0.5921 -0.5921 -0.4513 -0.4513 -0.3960 -0.3960 -0.1146 -0.1146 -0.0388 -0.0388 -0.0209 -0.0209 0.0899 0.0899 0.1033 0.1033 0.1472 0.1472 0.2425 0.2425 2.2606 2.2606 6.0978 6.0978 7.6104 7.6104 k = 0.6136-0.0919 0.4082 ( 9583 PWs) bands (ev): -17.0587 -17.0587 -17.0575 -17.0575 -14.7736 -14.7736 -14.7613 -14.7613 -14.3573 -14.3573 -13.7695 -13.7695 -13.2049 -13.2049 -13.1601 -13.1601 -13.1123 -13.1123 -12.5309 -12.5309 -12.3921 -12.3921 -11.6548 -11.6548 -11.6470 -11.6470 -6.6346 -6.6346 -3.0296 -3.0296 -2.6353 -2.6353 -2.4816 -2.4816 -1.5730 -1.5730 -1.3758 -1.3758 -1.2868 -1.2868 -1.2700 -1.2700 -1.2454 -1.2454 -1.1062 -1.1062 -0.8685 -0.8685 -0.7831 -0.7831 -0.7703 -0.7703 -0.7097 -0.7097 -0.5813 -0.5813 -0.4784 -0.4784 -0.4031 -0.4031 -0.0952 -0.0952 -0.0517 -0.0517 -0.0363 -0.0363 0.0935 0.0935 0.1178 0.1178 0.1448 0.1448 0.2377 0.2377 2.2665 2.2665 6.1081 6.1081 7.6265 7.6265 k = 0.6023-0.1115 0.4082 ( 9582 PWs) bands (ev): -17.0587 -17.0587 -17.0575 -17.0575 -14.7742 -14.7742 -14.7609 -14.7609 -14.3573 -14.3573 -13.7689 -13.7689 -13.1994 -13.1994 -13.1596 -13.1596 -13.1171 -13.1171 -12.5389 -12.5389 -12.3864 -12.3864 -11.6554 -11.6554 -11.6465 -11.6465 -6.6331 -6.6331 -3.0197 -3.0197 -2.6339 -2.6339 -2.4843 -2.4843 -1.5867 -1.5867 -1.3945 -1.3945 -1.2692 -1.2692 -1.2576 -1.2576 -1.2190 -1.2190 -1.1257 -1.1257 -0.8885 -0.8885 -0.7871 -0.7871 -0.7753 -0.7753 -0.6844 -0.6844 -0.5711 -0.5711 -0.5047 -0.5047 -0.4097 -0.4097 -0.0781 -0.0781 -0.0620 -0.0620 -0.0519 -0.0519 0.0971 0.0971 0.1319 0.1319 0.1429 0.1429 0.2329 0.2329 2.2709 2.2709 6.1168 6.1168 7.6399 7.6399 k = 0.5909-0.1312 0.4082 ( 9598 PWs) bands (ev): -17.0588 -17.0588 -17.0574 -17.0574 -14.7747 -14.7747 -14.7605 -14.7605 -14.3573 -14.3573 -13.7685 -13.7685 -13.1946 -13.1946 -13.1584 -13.1584 -13.1216 -13.1216 -12.5464 -12.5464 -12.3811 -12.3811 -11.6560 -11.6560 -11.6460 -11.6460 -6.6321 -6.6321 -3.0110 -3.0110 -2.6335 -2.6335 -2.4848 -2.4848 -1.5991 -1.5991 -1.4145 -1.4145 -1.2597 -1.2597 -1.2402 -1.2402 -1.1915 -1.1915 -1.1431 -1.1431 -0.9095 -0.9095 -0.7904 -0.7904 -0.7781 -0.7781 -0.6584 -0.6584 -0.5656 -0.5656 -0.5260 -0.5260 -0.4158 -0.4158 -0.0791 -0.0791 -0.0681 -0.0681 -0.0540 -0.0540 0.1003 0.1003 0.1412 0.1412 0.1453 0.1453 0.2281 0.2281 2.2739 2.2739 6.1240 6.1240 7.6508 7.6508 k = 0.5795-0.1509 0.4082 ( 9572 PWs) bands (ev): -17.0588 -17.0588 -17.0574 -17.0574 -14.7752 -14.7752 -14.7601 -14.7601 -14.3573 -14.3573 -13.7683 -13.7683 -13.1908 -13.1908 -13.1565 -13.1565 -13.1255 -13.1255 -12.5535 -12.5535 -12.3761 -12.3761 -11.6565 -11.6565 -11.6455 -11.6455 -6.6314 -6.6314 -3.0037 -3.0037 -2.6335 -2.6335 -2.4834 -2.4834 -1.6103 -1.6103 -1.4345 -1.4345 -1.2538 -1.2538 -1.2219 -1.2219 -1.1640 -1.1640 -1.1579 -1.1579 -0.9303 -0.9303 -0.7929 -0.7929 -0.7796 -0.7796 -0.6330 -0.6330 -0.5764 -0.5764 -0.5304 -0.5304 -0.4214 -0.4214 -0.0889 -0.0889 -0.0839 -0.0839 -0.0374 -0.0374 0.1033 0.1033 0.1403 0.1403 0.1574 0.1574 0.2234 0.2234 2.2760 2.2760 6.1296 6.1296 7.6592 7.6592 k = 0.5682-0.1706 0.4082 ( 9572 PWs) bands (ev): -17.0589 -17.0589 -17.0574 -17.0574 -14.7756 -14.7756 -14.7597 -14.7597 -14.3573 -14.3573 -13.7683 -13.7683 -13.1881 -13.1881 -13.1540 -13.1540 -13.1289 -13.1289 -12.5599 -12.5599 -12.3717 -12.3717 -11.6570 -11.6570 -11.6451 -11.6451 -6.6309 -6.6309 -2.9980 -2.9980 -2.6335 -2.6335 -2.4808 -2.4808 -1.6200 -1.6200 -1.4538 -1.4538 -1.2499 -1.2499 -1.2043 -1.2043 -1.1701 -1.1701 -1.1375 -1.1375 -0.9502 -0.9502 -0.7945 -0.7945 -0.7802 -0.7802 -0.6115 -0.6115 -0.5972 -0.5972 -0.5218 -0.5218 -0.4264 -0.4264 -0.1000 -0.1000 -0.0978 -0.0978 -0.0214 -0.0214 0.1057 0.1057 0.1397 0.1397 0.1683 0.1683 0.2189 0.2189 2.2772 2.2772 6.1339 6.1339 7.6653 7.6653 k = 0.5568-0.1903 0.4082 ( 9566 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7760 -14.7760 -14.7594 -14.7594 -14.3573 -14.3573 -13.7683 -13.7683 -13.1863 -13.1863 -13.1512 -13.1512 -13.1317 -13.1317 -12.5655 -12.5655 -12.3678 -12.3678 -11.6574 -11.6574 -11.6447 -11.6447 -6.6307 -6.6307 -2.9937 -2.9937 -2.6332 -2.6332 -2.4775 -2.4775 -1.6284 -1.6284 -1.4715 -1.4715 -1.2478 -1.2478 -1.1887 -1.1887 -1.1782 -1.1782 -1.1132 -1.1132 -0.9686 -0.9686 -0.7950 -0.7950 -0.7804 -0.7804 -0.6271 -0.6271 -0.5857 -0.5857 -0.5101 -0.5101 -0.4309 -0.4309 -0.1148 -0.1148 -0.1064 -0.1064 -0.0069 -0.0069 0.1077 0.1077 0.1396 0.1396 0.1776 0.1776 0.2147 0.2147 2.2779 2.2779 6.1370 6.1370 7.6696 7.6696 k = 0.5455-0.2099 0.4082 ( 9576 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7763 -14.7763 -14.7591 -14.7591 -14.3573 -14.3573 -13.7685 -13.7685 -13.1853 -13.1853 -13.1487 -13.1487 -13.1336 -13.1336 -12.5703 -12.5703 -12.3645 -12.3645 -11.6577 -11.6577 -11.6444 -11.6444 -6.6306 -6.6306 -2.9907 -2.9907 -2.6327 -2.6327 -2.4741 -2.4741 -1.6354 -1.6354 -1.4871 -1.4871 -1.2472 -1.2472 -1.1881 -1.1881 -1.1695 -1.1695 -1.0924 -1.0924 -0.9846 -0.9846 -0.7943 -0.7943 -0.7801 -0.7801 -0.6518 -0.6518 -0.5681 -0.5681 -0.4976 -0.4976 -0.4349 -0.4349 -0.1287 -0.1287 -0.1134 -0.1134 0.0057 0.0057 0.1091 0.1091 0.1398 0.1398 0.1852 0.1852 0.2111 0.2111 2.2781 2.2781 6.1391 6.1391 7.6725 7.6725 k = 0.5341-0.2296 0.4082 ( 9572 PWs) bands (ev): -17.0589 -17.0589 -17.0573 -17.0573 -14.7765 -14.7765 -14.7589 -14.7589 -14.3573 -14.3573 -13.7686 -13.7686 -13.1848 -13.1848 -13.1469 -13.1469 -13.1346 -13.1346 -12.5742 -12.5742 -12.3619 -12.3619 -11.6580 -11.6580 -11.6441 -11.6441 -6.6306 -6.6306 -2.9887 -2.9887 -2.6319 -2.6319 -2.4709 -2.4709 -1.6408 -1.6408 -1.5000 -1.5000 -1.2477 -1.2477 -1.1921 -1.1921 -1.1549 -1.1549 -1.0774 -1.0774 -0.9966 -0.9966 -0.7923 -0.7923 -0.7795 -0.7795 -0.6751 -0.6751 -0.5542 -0.5542 -0.4853 -0.4853 -0.4384 -0.4384 -0.1409 -0.1409 -0.1190 -0.1190 0.0160 0.0160 0.1100 0.1100 0.1402 0.1402 0.1907 0.1907 0.2086 0.2086 2.2781 2.2781 6.1405 6.1405 7.6743 7.6743 k = 0.5227-0.2493 0.4082 ( 9580 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7767 -14.7767 -14.7588 -14.7588 -14.3573 -14.3573 -13.7687 -13.7687 -13.1845 -13.1845 -13.1459 -13.1459 -13.1348 -13.1348 -12.5770 -12.5770 -12.3600 -12.3600 -11.6581 -11.6581 -11.6440 -11.6440 -6.6306 -6.6306 -2.9874 -2.9874 -2.6312 -2.6312 -2.4684 -2.4684 -1.6447 -1.6447 -1.5095 -1.5095 -1.2487 -1.2487 -1.1946 -1.1946 -1.1417 -1.1417 -1.0703 -1.0703 -1.0028 -1.0028 -0.7895 -0.7895 -0.7783 -0.7783 -0.6951 -0.6951 -0.5445 -0.5445 -0.4743 -0.4743 -0.4417 -0.4417 -0.1505 -0.1505 -0.1231 -0.1231 0.0237 0.0237 0.1106 0.1106 0.1406 0.1406 0.1939 0.1939 0.2074 0.2074 2.2780 2.2780 6.1414 6.1414 7.6754 7.6754 k = 0.5114-0.2690 0.4082 ( 9576 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7768 -14.7768 -14.7587 -14.7587 -14.3573 -14.3573 -13.7688 -13.7688 -13.1844 -13.1844 -13.1455 -13.1455 -13.1346 -13.1346 -12.5787 -12.5787 -12.3588 -12.3588 -11.6583 -11.6583 -11.6439 -11.6439 -6.6306 -6.6306 -2.9868 -2.9868 -2.6307 -2.6307 -2.4668 -2.4668 -1.6470 -1.6470 -1.5154 -1.5154 -1.2496 -1.2496 -1.1958 -1.1958 -1.1317 -1.1317 -1.0701 -1.0701 -1.0039 -1.0039 -0.7872 -0.7872 -0.7764 -0.7764 -0.7097 -0.7097 -0.5388 -0.5388 -0.4660 -0.4660 -0.4447 -0.4447 -0.1567 -0.1567 -0.1255 -0.1255 0.0284 0.0284 0.1109 0.1109 0.1410 0.1410 0.1950 0.1950 0.2073 0.2073 2.2779 2.2779 6.1418 6.1418 7.6760 7.6760 k = 0.5000-0.2887 0.4082 ( 9608 PWs) bands (ev): -17.0590 -17.0590 -17.0573 -17.0573 -14.7768 -14.7768 -14.7586 -14.7586 -14.3573 -14.3573 -13.7688 -13.7688 -13.1844 -13.1844 -13.1454 -13.1454 -13.1345 -13.1345 -12.5793 -12.5793 -12.3585 -12.3585 -11.6583 -11.6583 -11.6438 -11.6438 -6.6306 -6.6306 -2.9866 -2.9866 -2.6305 -2.6305 -2.4662 -2.4662 -1.6478 -1.6478 -1.5173 -1.5173 -1.2499 -1.2499 -1.1962 -1.1962 -1.1277 -1.1277 -1.0712 -1.0712 -1.0036 -1.0036 -0.7863 -0.7863 -0.7752 -0.7752 -0.7153 -0.7153 -0.5370 -0.5370 -0.4625 -0.4625 -0.4462 -0.4462 -0.1588 -0.1588 -0.1264 -0.1264 0.0301 0.0301 0.1110 0.1110 0.1410 0.1410 0.1952 0.1952 0.2075 0.2075 2.2779 2.2779 6.1419 6.1419 7.6761 7.6761 Writing output data file PbxNCl3x2.save init_run : 0.41s CPU 0.57s WALL ( 1 calls) electrons : 309.66s CPU 312.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 309.66s CPU 312.72s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 210 calls) cegterg : 284.18s CPU 286.60s WALL ( 318 calls) Called by sum_band: Called by *egterg: h_psi : 167.80s CPU 170.24s WALL ( 5118 calls) s_psi : 9.78s CPU 9.69s WALL ( 5118 calls) g_psi : 0.22s CPU 0.23s WALL ( 4590 calls) cdiaghg : 96.13s CPU 96.25s WALL ( 4800 calls) cegterg:over : 12.69s CPU 12.80s WALL ( 4590 calls) cegterg:upda : 7.61s CPU 7.81s WALL ( 4590 calls) cegterg:last : 4.88s CPU 4.85s WALL ( 738 calls) cdiaghg:chol : 3.75s CPU 3.82s WALL ( 4800 calls) cdiaghg:inve : 2.86s CPU 2.86s WALL ( 4800 calls) cdiaghg:para : 6.07s CPU 5.81s WALL ( 9600 calls) Called by h_psi: h_psi:vloc : 146.04s CPU 148.38s WALL ( 5118 calls) h_psi:vnl : 21.46s CPU 21.60s WALL ( 5118 calls) add_vuspsi : 11.22s CPU 11.19s WALL ( 5118 calls) General routines calbec : 10.22s CPU 10.39s WALL ( 5118 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 139.11s CPU 141.29s WALL ( 703920 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 420 calls) Parallel routines fft_scatter : 96.70s CPU 97.76s WALL ( 703943 calls) PWSCF : 5m56.91s CPU 6m10.46s WALL This run was terminated on: 8:24:42 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=