Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8:20:40 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: ./TexNCl3x2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 32 9 2393 1031 151 Max 57 33 10 2400 1054 155 Sum 4081 2347 649 172575 75089 10969 bravais-lattice index = 14 lattice parameter (alat) = 13.6002 a.u. unit-cell volume = 1778.7866 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.600231 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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) Te 6.00 127.60000 Te( 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 0.2258064), 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 0.5454546), 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 0.2045454 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 0.5065790), 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 0.3815789 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 0.6704546), 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 0.6704546), 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 0.4204546 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 0.5454546), 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 0.5454546), wk = 0.0047619 k( 207) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0047619 k( 208) = ( 0.5227273 0.0454545 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: 172575 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 75089 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 270, 70) NL pseudopotentials 0.55 Mb ( 135, 266) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2394) G-vector shells 0.01 Mb ( 788) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 270, 280) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.57 Mb ( 266, 2, 70) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./TexNCl3x2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 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 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.5 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 12.0 secs Computing kpt #: 9 total cpu time spent up to now is 13.2 secs Computing kpt #: 10 total cpu time spent up to now is 14.3 secs Computing kpt #: 11 total cpu time spent up to now is 15.5 secs Computing kpt #: 12 total cpu time spent up to now is 16.6 secs Computing kpt #: 13 total cpu time spent up to now is 17.7 secs Computing kpt #: 14 total cpu time spent up to now is 18.7 secs Computing kpt #: 15 total cpu time spent up to now is 19.9 secs Computing kpt #: 16 total cpu time spent up to now is 21.0 secs Computing kpt #: 17 total cpu time spent up to now is 22.1 secs Computing kpt #: 18 total cpu time spent up to now is 23.2 secs Computing kpt #: 19 total cpu time spent up to now is 24.2 secs Computing kpt #: 20 total cpu time spent up to now is 25.3 secs Computing kpt #: 21 total cpu time spent up to now is 26.3 secs Computing kpt #: 22 total cpu time spent up to now is 27.4 secs Computing kpt #: 23 total cpu time spent up to now is 28.5 secs Computing kpt #: 24 total cpu time spent up to now is 29.5 secs Computing kpt #: 25 total cpu time spent up to now is 30.7 secs Computing kpt #: 26 total cpu time spent up to now is 31.7 secs Computing kpt #: 27 total cpu time spent up to now is 32.7 secs Computing kpt #: 28 total cpu time spent up to now is 33.8 secs Computing kpt #: 29 total cpu time spent up to now is 34.9 secs Computing kpt #: 30 total cpu time spent up to now is 36.0 secs Computing kpt #: 31 total cpu time spent up to now is 37.1 secs Computing kpt #: 32 total cpu time spent up to now is 38.1 secs Computing kpt #: 33 total cpu time spent up to now is 39.1 secs Computing kpt #: 34 total cpu time spent up to now is 40.2 secs Computing kpt #: 35 total cpu time spent up to now is 41.3 secs Computing kpt #: 36 total cpu time spent up to now is 42.3 secs Computing kpt #: 37 total cpu time spent up to now is 43.4 secs Computing kpt #: 38 total cpu time spent up to now is 44.5 secs Computing kpt #: 39 total cpu time spent up to now is 45.6 secs Computing kpt #: 40 total cpu time spent up to now is 46.7 secs Computing kpt #: 41 total cpu time spent up to now is 48.2 secs Computing kpt #: 42 total cpu time spent up to now is 50.1 secs Computing kpt #: 43 total cpu time spent up to now is 51.5 secs Computing kpt #: 44 total cpu time spent up to now is 52.7 secs Computing kpt #: 45 total cpu time spent up to now is 54.2 secs Computing kpt #: 46 total cpu time spent up to now is 55.7 secs Computing kpt #: 47 total cpu time spent up to now is 56.9 secs Computing kpt #: 48 total cpu time spent up to now is 58.1 secs Computing kpt #: 49 total cpu time spent up to now is 59.2 secs Computing kpt #: 50 total cpu time spent up to now is 60.3 secs Computing kpt #: 51 total cpu time spent up to now is 61.4 secs Computing kpt #: 52 total cpu time spent up to now is 62.5 secs Computing kpt #: 53 total cpu time spent up to now is 63.7 secs Computing kpt #: 54 total cpu time spent up to now is 64.8 secs Computing kpt #: 55 total cpu time spent up to now is 65.9 secs Computing kpt #: 56 total cpu time spent up to now is 67.0 secs Computing kpt #: 57 total cpu time spent up to now is 68.0 secs Computing kpt #: 58 total cpu time spent up to now is 69.2 secs Computing kpt #: 59 total cpu time spent up to now is 70.3 secs Computing kpt #: 60 total cpu time spent up to now is 71.3 secs Computing kpt #: 61 total cpu time spent up to now is 72.4 secs Computing kpt #: 62 total cpu time spent up to now is 73.5 secs Computing kpt #: 63 total cpu time spent up to now is 74.5 secs Computing kpt #: 64 total cpu time spent up to now is 75.7 secs Computing kpt #: 65 total cpu time spent up to now is 76.8 secs Computing kpt #: 66 total cpu time spent up to now is 77.8 secs Computing kpt #: 67 total cpu time spent up to now is 78.9 secs Computing kpt #: 68 total cpu time spent up to now is 80.0 secs Computing kpt #: 69 total cpu time spent up to now is 81.0 secs Computing kpt #: 70 total cpu time spent up to now is 82.1 secs Computing kpt #: 71 total cpu time spent up to now is 83.1 secs Computing kpt #: 72 total cpu time spent up to now is 84.2 secs Computing kpt #: 73 total cpu time spent up to now is 85.3 secs Computing kpt #: 74 total cpu time spent up to now is 86.3 secs Computing kpt #: 75 total cpu time spent up to now is 87.4 secs Computing kpt #: 76 total cpu time spent up to now is 88.4 secs Computing kpt #: 77 total cpu time spent up to now is 89.5 secs Computing kpt #: 78 total cpu time spent up to now is 90.6 secs Computing kpt #: 79 total cpu time spent up to now is 91.6 secs Computing kpt #: 80 total cpu time spent up to now is 92.6 secs Computing kpt #: 81 total cpu time spent up to now is 93.7 secs Computing kpt #: 82 total cpu time spent up to now is 94.7 secs Computing kpt #: 83 total cpu time spent up to now is 95.8 secs Computing kpt #: 84 total cpu time spent up to now is 97.0 secs Computing kpt #: 85 total cpu time spent up to now is 98.0 secs Computing kpt #: 86 total cpu time spent up to now is 99.1 secs Computing kpt #: 87 total cpu time spent up to now is 100.2 secs Computing kpt #: 88 total cpu time spent up to now is 101.3 secs Computing kpt #: 89 total cpu time spent up to now is 102.5 secs Computing kpt #: 90 total cpu time spent up to now is 103.6 secs Computing kpt #: 91 total cpu time spent up to now is 104.7 secs Computing kpt #: 92 total cpu time spent up to now is 105.9 secs Computing kpt #: 93 total cpu time spent up to now is 107.0 secs Computing kpt #: 94 total cpu time spent up to now is 108.3 secs Computing kpt #: 95 total cpu time spent up to now is 109.3 secs Computing kpt #: 96 total cpu time spent up to now is 110.3 secs Computing kpt #: 97 total cpu time spent up to now is 111.7 secs Computing kpt #: 98 total cpu time spent up to now is 112.8 secs Computing kpt #: 99 total cpu time spent up to now is 114.0 secs Computing kpt #: 100 total cpu time spent up to now is 115.4 secs Computing kpt #: 101 total cpu time spent up to now is 116.6 secs Computing kpt #: 102 total cpu time spent up to now is 118.0 secs Computing kpt #: 103 total cpu time spent up to now is 119.2 secs Computing kpt #: 104 total cpu time spent up to now is 120.3 secs Computing kpt #: 105 total cpu time spent up to now is 121.3 secs Computing kpt #: 106 total cpu time spent up to now is 122.4 secs Computing kpt #: 107 total cpu time spent up to now is 123.5 secs Computing kpt #: 108 total cpu time spent up to now is 124.5 secs Computing kpt #: 109 total cpu time spent up to now is 125.6 secs Computing kpt #: 110 total cpu time spent up to now is 126.7 secs Computing kpt #: 111 total cpu time spent up to now is 127.8 secs Computing kpt #: 112 total cpu time spent up to now is 128.9 secs Computing kpt #: 113 total cpu time spent up to now is 130.2 secs Computing kpt #: 114 total cpu time spent up to now is 131.8 secs Computing kpt #: 115 total cpu time spent up to now is 132.9 secs Computing kpt #: 116 total cpu time spent up to now is 134.0 secs Computing kpt #: 117 total cpu time spent up to now is 135.1 secs Computing kpt #: 118 total cpu time spent up to now is 136.1 secs Computing kpt #: 119 total cpu time spent up to now is 137.2 secs Computing kpt #: 120 total cpu time spent up to now is 138.3 secs Computing kpt #: 121 total cpu time spent up to now is 139.3 secs Computing kpt #: 122 total cpu time spent up to now is 140.4 secs Computing kpt #: 123 total cpu time spent up to now is 141.4 secs Computing kpt #: 124 total cpu time spent up to now is 142.4 secs Computing kpt #: 125 total cpu time spent up to now is 143.5 secs Computing kpt #: 126 total cpu time spent up to now is 144.5 secs Computing kpt #: 127 total cpu time spent up to now is 145.6 secs Computing kpt #: 128 total cpu time spent up to now is 146.7 secs Computing kpt #: 129 total cpu time spent up to now is 147.7 secs Computing kpt #: 130 total cpu time spent up to now is 148.7 secs Computing kpt #: 131 total cpu time spent up to now is 149.7 secs Computing kpt #: 132 total cpu time spent up to now is 150.7 secs Computing kpt #: 133 total cpu time spent up to now is 151.9 secs Computing kpt #: 134 total cpu time spent up to now is 153.0 secs Computing kpt #: 135 total cpu time spent up to now is 154.1 secs Computing kpt #: 136 total cpu time spent up to now is 155.3 secs Computing kpt #: 137 total cpu time spent up to now is 156.3 secs Computing kpt #: 138 total cpu time spent up to now is 157.4 secs Computing kpt #: 139 total cpu time spent up to now is 158.5 secs Computing kpt #: 140 total cpu time spent up to now is 159.6 secs Computing kpt #: 141 total cpu time spent up to now is 160.6 secs Computing kpt #: 142 total cpu time spent up to now is 162.0 secs Computing kpt #: 143 total cpu time spent up to now is 163.1 secs Computing kpt #: 144 total cpu time spent up to now is 164.1 secs Computing kpt #: 145 total cpu time spent up to now is 165.2 secs Computing kpt #: 146 total cpu time spent up to now is 166.3 secs Computing kpt #: 147 total cpu time spent up to now is 167.4 secs Computing kpt #: 148 total cpu time spent up to now is 168.5 secs Computing kpt #: 149 total cpu time spent up to now is 169.5 secs Computing kpt #: 150 total cpu time spent up to now is 170.6 secs Computing kpt #: 151 total cpu time spent up to now is 171.7 secs Computing kpt #: 152 total cpu time spent up to now is 172.7 secs Computing kpt #: 153 total cpu time spent up to now is 173.9 secs Computing kpt #: 154 total cpu time spent up to now is 175.0 secs Computing kpt #: 155 total cpu time spent up to now is 176.0 secs Computing kpt #: 156 total cpu time spent up to now is 177.1 secs Computing kpt #: 157 total cpu time spent up to now is 178.2 secs Computing kpt #: 158 total cpu time spent up to now is 179.2 secs Computing kpt #: 159 total cpu time spent up to now is 180.3 secs Computing kpt #: 160 total cpu time spent up to now is 181.4 secs Computing kpt #: 161 total cpu time spent up to now is 182.5 secs Computing kpt #: 162 total cpu time spent up to now is 183.5 secs Computing kpt #: 163 total cpu time spent up to now is 184.9 secs Computing kpt #: 164 total cpu time spent up to now is 186.8 secs Computing kpt #: 165 total cpu time spent up to now is 188.2 secs Computing kpt #: 166 total cpu time spent up to now is 189.5 secs Computing kpt #: 167 total cpu time spent up to now is 190.6 secs Computing kpt #: 168 total cpu time spent up to now is 191.6 secs Computing kpt #: 169 total cpu time spent up to now is 192.7 secs Computing kpt #: 170 total cpu time spent up to now is 193.7 secs Computing kpt #: 171 total cpu time spent up to now is 194.7 secs Computing kpt #: 172 total cpu time spent up to now is 195.7 secs Computing kpt #: 173 total cpu time spent up to now is 196.8 secs Computing kpt #: 174 total cpu time spent up to now is 197.8 secs Computing kpt #: 175 total cpu time spent up to now is 198.9 secs Computing kpt #: 176 total cpu time spent up to now is 200.1 secs Computing kpt #: 177 total cpu time spent up to now is 201.8 secs Computing kpt #: 178 total cpu time spent up to now is 203.0 secs Computing kpt #: 179 total cpu time spent up to now is 204.1 secs Computing kpt #: 180 total cpu time spent up to now is 205.2 secs Computing kpt #: 181 total cpu time spent up to now is 206.3 secs Computing kpt #: 182 total cpu time spent up to now is 207.3 secs Computing kpt #: 183 total cpu time spent up to now is 208.3 secs Computing kpt #: 184 total cpu time spent up to now is 209.3 secs Computing kpt #: 185 total cpu time spent up to now is 210.3 secs Computing kpt #: 186 total cpu time spent up to now is 211.4 secs Computing kpt #: 187 total cpu time spent up to now is 212.4 secs Computing kpt #: 188 total cpu time spent up to now is 213.5 secs Computing kpt #: 189 total cpu time spent up to now is 214.5 secs Computing kpt #: 190 total cpu time spent up to now is 215.6 secs Computing kpt #: 191 total cpu time spent up to now is 216.7 secs Computing kpt #: 192 total cpu time spent up to now is 217.7 secs Computing kpt #: 193 total cpu time spent up to now is 218.8 secs Computing kpt #: 194 total cpu time spent up to now is 219.9 secs Computing kpt #: 195 total cpu time spent up to now is 220.9 secs Computing kpt #: 196 total cpu time spent up to now is 222.0 secs Computing kpt #: 197 total cpu time spent up to now is 223.0 secs Computing kpt #: 198 total cpu time spent up to now is 224.3 secs Computing kpt #: 199 total cpu time spent up to now is 225.6 secs Computing kpt #: 200 total cpu time spent up to now is 226.9 secs Computing kpt #: 201 total cpu time spent up to now is 228.2 secs Computing kpt #: 202 total cpu time spent up to now is 229.3 secs Computing kpt #: 203 total cpu time spent up to now is 230.4 secs Computing kpt #: 204 total cpu time spent up to now is 231.4 secs Computing kpt #: 205 total cpu time spent up to now is 232.5 secs Computing kpt #: 206 total cpu time spent up to now is 233.6 secs Computing kpt #: 207 total cpu time spent up to now is 234.7 secs Computing kpt #: 208 total cpu time spent up to now is 235.8 secs Computing kpt #: 209 total cpu time spent up to now is 236.8 secs Computing kpt #: 210 total cpu time spent up to now is 237.9 secs ethr = 1.72E-08, avg # of iterations = 17.1 total cpu time spent up to now is 237.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9377 PWs) bands (ev): -15.0179 -15.0179 -13.7305 -13.7305 -13.7080 -13.7080 -13.7080 -13.7080 -13.3691 -13.3691 -13.3691 -13.3691 -11.7049 -11.7049 -11.7021 -11.7021 -10.3370 -10.3370 -4.7363 -4.7363 -4.4296 -4.4296 -4.4296 -4.4296 -2.4304 -2.4304 -2.4304 -2.4304 -2.3832 -2.3832 -1.6528 -1.6528 -1.6528 -1.6528 -1.2768 -1.2768 -1.1578 -1.1578 -1.1578 -1.1578 -1.0444 -1.0444 -1.0444 -1.0444 -0.9821 -0.9821 -0.9335 -0.9335 -0.4524 -0.4524 -0.3884 -0.3884 -0.3884 -0.3884 0.1003 0.1003 0.1085 0.1085 0.1192 0.1192 0.1192 0.1192 0.1414 0.1414 0.1414 0.1414 2.6616 2.6616 3.3086 3.3086 k = 0.0161-0.0093 0.0132 ( 9381 PWs) bands (ev): -15.0176 -15.0176 -13.7305 -13.7305 -13.7081 -13.7081 -13.7080 -13.7080 -13.3695 -13.3695 -13.3691 -13.3691 -11.7049 -11.7049 -11.7021 -11.7021 -10.3364 -10.3364 -4.7360 -4.7360 -4.4293 -4.4293 -4.4292 -4.4292 -2.4298 -2.4298 -2.4294 -2.4294 -2.3823 -2.3823 -1.6559 -1.6559 -1.6528 -1.6528 -1.2779 -1.2779 -1.1616 -1.1616 -1.1579 -1.1579 -1.0448 -1.0448 -1.0448 -1.0448 -0.9825 -0.9825 -0.9265 -0.9265 -0.4532 -0.4532 -0.3898 -0.3898 -0.3889 -0.3889 0.0997 0.0997 0.1081 0.1081 0.1186 0.1186 0.1189 0.1189 0.1406 0.1406 0.1411 0.1411 2.6626 2.6626 3.3095 3.3097 k = 0.0323-0.0186 0.0263 ( 9385 PWs) bands (ev): -15.0168 -15.0168 -13.7307 -13.7307 -13.7084 -13.7084 -13.7081 -13.7081 -13.3709 -13.3709 -13.3691 -13.3691 -11.7048 -11.7048 -11.7022 -11.7022 -10.3348 -10.3348 -4.7352 -4.7352 -4.4284 -4.4284 -4.4283 -4.4283 -2.4277 -2.4277 -2.4261 -2.4261 -2.3796 -2.3796 -1.6651 -1.6651 -1.6529 -1.6529 -1.2812 -1.2812 -1.1717 -1.1717 -1.1584 -1.1584 -1.0459 -1.0459 -1.0459 -1.0459 -0.9836 -0.9836 -0.9069 -0.9069 -0.4558 -0.4558 -0.3940 -0.3940 -0.3902 -0.3902 0.0981 0.0981 0.1067 0.1067 0.1170 0.1170 0.1181 0.1181 0.1384 0.1384 0.1402 0.1402 2.6655 2.6655 3.3121 3.3121 k = 0.0484-0.0279 0.0395 ( 9377 PWs) bands (ev): -15.0156 -15.0156 -13.7310 -13.7310 -13.7090 -13.7090 -13.7082 -13.7082 -13.3731 -13.3731 -13.3690 -13.3690 -11.7048 -11.7048 -11.7023 -11.7023 -10.3321 -10.3321 -4.7340 -4.7340 -4.4270 -4.4270 -4.4267 -4.4267 -2.4244 -2.4244 -2.4208 -2.4208 -2.3750 -2.3750 -1.6800 -1.6800 -1.6530 -1.6530 -1.2871 -1.2871 -1.1847 -1.1847 -1.1593 -1.1593 -1.0478 -1.0478 -1.0476 -1.0476 -0.9854 -0.9854 -0.8779 -0.8779 -0.4604 -0.4604 -0.4008 -0.4008 -0.3921 -0.3921 0.0954 0.0954 0.1043 0.1043 0.1146 0.1146 0.1168 0.1168 0.1349 0.1349 0.1388 0.1388 2.6705 2.6705 3.3165 3.3165 k = 0.0645-0.0372 0.0527 ( 9397 PWs) bands (ev): -15.0138 -15.0138 -13.7315 -13.7315 -13.7097 -13.7097 -13.7083 -13.7083 -13.3761 -13.3761 -13.3689 -13.3689 -11.7047 -11.7047 -11.7024 -11.7024 -10.3284 -10.3284 -4.7322 -4.7322 -4.4251 -4.4251 -4.4244 -4.4244 -2.4199 -2.4199 -2.4133 -2.4133 -2.3685 -2.3685 -1.7004 -1.7004 -1.6531 -1.6531 -1.2958 -1.2958 -1.1982 -1.1982 -1.1606 -1.1606 -1.0504 -1.0504 -1.0499 -1.0499 -0.9878 -0.9878 -0.8424 -0.8424 -0.4670 -0.4670 -0.4104 -0.4104 -0.3943 -0.3943 0.0914 0.0914 0.1004 0.1004 0.1117 0.1117 0.1149 0.1149 0.1303 0.1303 0.1368 0.1368 2.6773 2.6773 3.3225 3.3225 k = 0.0806-0.0466 0.0658 ( 9389 PWs) bands (ev): -15.0115 -15.0115 -13.7321 -13.7321 -13.7105 -13.7105 -13.7085 -13.7085 -13.3800 -13.3800 -13.3688 -13.3688 -11.7045 -11.7045 -11.7026 -11.7026 -10.3237 -10.3237 -4.7299 -4.7299 -4.4226 -4.4226 -4.4215 -4.4215 -2.4143 -2.4143 -2.4037 -2.4037 -2.3600 -2.3600 -1.7256 -1.7256 -1.6533 -1.6533 -1.3073 -1.3073 -1.2105 -1.2105 -1.1626 -1.1626 -1.0535 -1.0535 -1.0526 -1.0526 -0.9908 -0.9908 -0.8025 -0.8025 -0.4760 -0.4760 -0.4227 -0.4227 -0.3966 -0.3966 0.0860 0.0860 0.0948 0.0948 0.1088 0.1088 0.1124 0.1124 0.1250 0.1250 0.1342 0.1342 2.6859 2.6859 3.3301 3.3301 k = 0.0968-0.0559 0.0790 ( 9389 PWs) bands (ev): -15.0088 -15.0088 -13.7328 -13.7328 -13.7115 -13.7115 -13.7087 -13.7087 -13.3847 -13.3847 -13.3687 -13.3687 -11.7044 -11.7044 -11.7028 -11.7028 -10.3180 -10.3180 -4.7272 -4.7272 -4.4197 -4.4197 -4.4179 -4.4179 -2.4077 -2.4077 -2.3920 -2.3920 -2.3493 -2.3493 -1.7552 -1.7552 -1.6535 -1.6535 -1.3214 -1.3214 -1.2214 -1.2214 -1.1653 -1.1653 -1.0570 -1.0570 -1.0555 -1.0555 -0.9940 -0.9940 -0.7596 -0.7596 -0.4872 -0.4872 -0.4377 -0.4377 -0.3988 -0.3988 0.0789 0.0789 0.0877 0.0877 0.1058 0.1058 0.1092 0.1092 0.1195 0.1195 0.1311 0.1311 2.6961 2.6961 3.3393 3.3393 k = 0.1129-0.0652 0.0922 ( 9385 PWs) bands (ev): -15.0057 -15.0057 -13.7336 -13.7336 -13.7126 -13.7126 -13.7090 -13.7090 -13.3902 -13.3902 -13.3685 -13.3685 -11.7042 -11.7042 -11.7030 -11.7030 -10.3114 -10.3114 -4.7240 -4.7240 -4.4162 -4.4162 -4.4137 -4.4137 -2.4004 -2.4004 -2.3783 -2.3783 -2.3366 -2.3366 -1.7885 -1.7885 -1.6537 -1.6537 -1.3373 -1.3373 -1.2311 -1.2311 -1.1691 -1.1691 -1.0609 -1.0609 -1.0585 -1.0585 -0.9975 -0.9975 -0.7152 -0.7152 -0.5004 -0.5004 -0.4553 -0.4553 -0.4007 -0.4007 0.0700 0.0700 0.0790 0.0790 0.1028 0.1028 0.1050 0.1050 0.1144 0.1144 0.1276 0.1276 2.7079 2.7079 3.3497 3.3497 k = 0.1290-0.0745 0.1054 ( 9389 PWs) bands (ev): -15.0021 -15.0021 -13.7346 -13.7346 -13.7137 -13.7137 -13.7093 -13.7093 -13.3964 -13.3964 -13.3684 -13.3684 -11.7040 -11.7040 -11.7032 -11.7032 -10.3040 -10.3040 -4.7203 -4.7203 -4.4123 -4.4123 -4.4088 -4.4088 -2.3923 -2.3923 -2.3626 -2.3626 -2.3217 -2.3217 -1.8249 -1.8249 -1.6540 -1.6540 -1.3543 -1.3543 -1.2403 -1.2403 -1.1739 -1.1739 -1.0650 -1.0650 -1.0613 -1.0613 -1.0010 -1.0010 -0.6709 -0.6709 -0.5144 -0.5144 -0.4754 -0.4754 -0.4022 -0.4022 0.0592 0.0592 0.0690 0.0690 0.0996 0.0996 0.1000 0.1000 0.1098 0.1098 0.1235 0.1235 2.7210 2.7210 3.3615 3.3615 k = 0.1452-0.0838 0.1185 ( 9393 PWs) bands (ev): -14.9982 -14.9982 -13.7358 -13.7358 -13.7149 -13.7149 -13.7096 -13.7096 -13.4034 -13.4034 -13.3682 -13.3682 -11.7038 -11.7038 -11.7035 -11.7035 -10.2958 -10.2958 -4.7162 -4.7162 -4.4080 -4.4080 -4.4033 -4.4033 -2.3836 -2.3836 -2.3450 -2.3450 -2.3046 -2.3046 -1.8641 -1.8641 -1.6543 -1.6543 -1.3719 -1.3719 -1.2494 -1.2494 -1.1801 -1.1801 -1.0691 -1.0691 -1.0638 -1.0638 -1.0044 -1.0044 -0.6310 -0.6310 -0.5256 -0.5256 -0.4980 -0.4980 -0.4033 -0.4033 0.0466 0.0466 0.0578 0.0578 0.0943 0.0943 0.0964 0.0964 0.1057 0.1057 0.1191 0.1191 2.7354 2.7354 3.3743 3.3743 k = 0.1613-0.0931 0.1317 ( 9393 PWs) bands (ev): -14.9939 -14.9939 -13.7370 -13.7370 -13.7160 -13.7160 -13.7099 -13.7099 -13.4110 -13.4110 -13.3680 -13.3680 -11.7038 -11.7038 -11.7035 -11.7035 -10.2870 -10.2870 -4.7117 -4.7117 -4.4033 -4.4033 -4.3972 -4.3972 -2.3744 -2.3744 -2.3255 -2.3255 -2.2854 -2.2854 -1.9055 -1.9055 -1.6546 -1.6546 -1.3896 -1.3896 -1.2589 -1.2589 -1.1878 -1.1878 -1.0733 -1.0733 -1.0659 -1.0659 -1.0074 -1.0074 -0.6086 -0.6086 -0.5230 -0.5230 -0.5212 -0.5212 -0.4038 -0.4038 0.0323 0.0323 0.0457 0.0457 0.0884 0.0884 0.0930 0.0930 0.1017 0.1017 0.1143 0.1143 2.7508 2.7508 3.3881 3.3881 k = 0.1774-0.1024 0.1449 ( 9373 PWs) bands (ev): -14.9893 -14.9893 -13.7384 -13.7384 -13.7171 -13.7171 -13.7103 -13.7103 -13.4192 -13.4192 -13.3678 -13.3678 -11.7042 -11.7042 -11.7033 -11.7033 -10.2776 -10.2776 -4.7068 -4.7068 -4.3983 -4.3983 -4.3904 -4.3904 -2.3646 -2.3646 -2.3042 -2.3042 -2.2641 -2.2641 -1.9487 -1.9487 -1.6549 -1.6549 -1.4071 -1.4071 -1.2691 -1.2691 -1.1969 -1.1969 -1.0774 -1.0774 -1.0674 -1.0674 -1.0099 -1.0099 -0.6146 -0.6146 -0.5502 -0.5502 -0.4912 -0.4912 -0.4033 -0.4033 0.0167 0.0167 0.0326 0.0326 0.0822 0.0822 0.0896 0.0896 0.0979 0.0979 0.1092 0.1092 2.7671 2.7671 3.4026 3.4026 k = 0.1935-0.1117 0.1580 ( 9377 PWs) bands (ev): -14.9844 -14.9844 -13.7398 -13.7398 -13.7181 -13.7181 -13.7107 -13.7107 -13.4280 -13.4280 -13.3676 -13.3676 -11.7045 -11.7045 -11.7030 -11.7030 -10.2677 -10.2677 -4.7015 -4.7015 -4.3930 -4.3930 -4.3830 -4.3830 -2.3544 -2.3544 -2.2814 -2.2814 -2.2408 -2.2408 -1.9930 -1.9930 -1.6553 -1.6553 -1.4240 -1.4240 -1.2800 -1.2800 -1.2074 -1.2074 -1.0816 -1.0816 -1.0682 -1.0682 -1.0118 -1.0118 -0.6355 -0.6355 -0.5796 -0.5796 -0.4517 -0.4517 -0.3992 -0.3992 -0.0000 -0.0000 0.0187 0.0187 0.0759 0.0759 0.0859 0.0859 0.0942 0.0942 0.1039 0.1039 2.7840 2.7840 3.4178 3.4178 k = 0.2097-0.1211 0.1712 ( 9393 PWs) bands (ev): -14.9793 -14.9793 -13.7413 -13.7413 -13.7191 -13.7191 -13.7111 -13.7111 -13.4372 -13.4372 -13.3674 -13.3674 -11.7049 -11.7049 -11.7027 -11.7027 -10.2574 -10.2574 -4.6960 -4.6960 -4.3874 -4.3874 -4.3750 -4.3750 -2.3438 -2.3438 -2.2574 -2.2574 -2.2156 -2.2156 -2.0380 -2.0380 -1.6556 -1.6556 -1.4404 -1.4404 -1.2918 -1.2918 -1.2191 -1.2191 -1.0860 -1.0860 -1.0684 -1.0684 -1.0130 -1.0130 -0.6622 -0.6622 -0.6109 -0.6109 -0.4243 -0.4243 -0.3794 -0.3794 -0.0176 -0.0176 0.0041 0.0041 0.0695 0.0695 0.0821 0.0821 0.0904 0.0904 0.0986 0.0986 2.8014 2.8014 3.4335 3.4335 k = 0.2258-0.1304 0.1844 ( 9397 PWs) bands (ev): -14.9740 -14.9740 -13.7427 -13.7427 -13.7200 -13.7200 -13.7115 -13.7115 -13.4469 -13.4469 -13.3671 -13.3671 -11.7052 -11.7052 -11.7025 -11.7025 -10.2468 -10.2468 -4.6902 -4.6902 -4.3817 -4.3817 -4.3665 -4.3665 -2.3329 -2.3329 -2.2333 -2.2333 -2.1885 -2.1885 -2.0822 -2.0822 -1.6560 -1.6560 -1.4559 -1.4559 -1.3043 -1.3043 -1.2319 -1.2319 -1.0905 -1.0905 -1.0679 -1.0679 -1.0134 -1.0134 -0.6923 -0.6923 -0.6440 -0.6440 -0.4170 -0.4170 -0.3383 -0.3383 -0.0358 -0.0358 -0.0109 -0.0109 0.0630 0.0630 0.0779 0.0779 0.0868 0.0868 0.0935 0.0935 2.8191 2.8191 3.4494 3.4494 k = 0.2419-0.1397 0.1975 ( 9405 PWs) bands (ev): -14.9686 -14.9686 -13.7441 -13.7441 -13.7208 -13.7208 -13.7119 -13.7119 -13.4569 -13.4569 -13.3669 -13.3669 -11.7056 -11.7056 -11.7022 -11.7022 -10.2361 -10.2361 -4.6841 -4.6841 -4.3758 -4.3758 -4.3574 -4.3574 -2.3218 -2.3218 -2.2128 -2.2128 -2.1596 -2.1596 -2.1215 -2.1215 -1.6564 -1.6564 -1.4705 -1.4705 -1.3176 -1.3176 -1.2457 -1.2457 -1.0952 -1.0952 -1.0669 -1.0669 -1.0132 -1.0132 -0.7247 -0.7247 -0.6787 -0.6787 -0.4154 -0.4154 -0.2917 -0.2917 -0.0544 -0.0544 -0.0263 -0.0263 0.0565 0.0565 0.0733 0.0733 0.0833 0.0833 0.0886 0.0886 2.8369 2.8369 3.4655 3.4655 k = 0.2581-0.1490 0.2107 ( 9405 PWs) bands (ev): -14.9632 -14.9632 -13.7454 -13.7454 -13.7215 -13.7215 -13.7123 -13.7123 -13.4672 -13.4672 -13.3667 -13.3667 -11.7060 -11.7060 -11.7019 -11.7019 -10.2253 -10.2253 -4.6780 -4.6780 -4.3699 -4.3699 -4.3479 -4.3479 -2.3106 -2.3106 -2.2135 -2.2135 -2.1381 -2.1381 -2.1291 -2.1291 -1.6567 -1.6567 -1.4842 -1.4842 -1.3314 -1.3314 -1.2601 -1.2601 -1.1000 -1.1000 -1.0655 -1.0655 -1.0123 -1.0123 -0.7589 -0.7589 -0.7148 -0.7148 -0.4151 -0.4151 -0.2447 -0.2447 -0.0730 -0.0730 -0.0419 -0.0419 0.0499 0.0499 0.0683 0.0683 0.0800 0.0800 0.0843 0.0843 2.8546 2.8546 3.4814 3.4814 k = 0.2742-0.1583 0.2239 ( 9393 PWs) bands (ev): -14.9577 -14.9577 -13.7465 -13.7465 -13.7222 -13.7222 -13.7127 -13.7127 -13.4777 -13.4777 -13.3664 -13.3664 -11.7064 -11.7064 -11.7016 -11.7016 -10.2146 -10.2146 -4.6717 -4.6717 -4.3639 -4.3639 -4.3380 -4.3380 -2.2994 -2.2994 -2.2460 -2.2460 -2.1213 -2.1213 -2.0969 -2.0969 -1.6571 -1.6571 -1.4968 -1.4968 -1.3456 -1.3456 -1.2751 -1.2751 -1.1051 -1.1051 -1.0638 -1.0638 -1.0110 -1.0110 -0.7944 -0.7944 -0.7520 -0.7520 -0.4151 -0.4151 -0.1987 -0.1987 -0.0914 -0.0914 -0.0575 -0.0575 0.0434 0.0434 0.0628 0.0628 0.0767 0.0767 0.0805 0.0805 2.8720 2.8720 3.4972 3.4972 k = 0.2903-0.1676 0.2370 ( 9373 PWs) bands (ev): -14.9522 -14.9522 -13.7475 -13.7475 -13.7227 -13.7227 -13.7131 -13.7131 -13.4883 -13.4883 -13.3662 -13.3662 -11.7067 -11.7067 -11.7013 -11.7013 -10.2040 -10.2040 -4.6654 -4.6654 -4.3580 -4.3580 -4.3277 -4.3277 -2.2883 -2.2883 -2.2882 -2.2882 -2.0924 -2.0924 -2.0632 -2.0632 -1.6574 -1.6574 -1.5084 -1.5084 -1.3602 -1.3602 -1.2904 -1.2904 -1.1101 -1.1101 -1.0619 -1.0619 -1.0096 -1.0096 -0.8310 -0.8310 -0.7900 -0.7900 -0.4154 -0.4154 -0.1552 -0.1552 -0.1084 -0.1084 -0.0730 -0.0730 0.0370 0.0370 0.0570 0.0570 0.0737 0.0737 0.0771 0.0771 2.8891 2.8891 3.5126 3.5126 k = 0.3065-0.1769 0.2502 ( 9373 PWs) bands (ev): -14.9468 -14.9468 -13.7482 -13.7482 -13.7232 -13.7232 -13.7135 -13.7135 -13.4989 -13.4989 -13.3660 -13.3660 -11.7071 -11.7071 -11.7011 -11.7011 -10.1937 -10.1937 -4.6592 -4.6592 -4.3522 -4.3522 -4.3172 -4.3172 -2.3322 -2.3322 -2.2772 -2.2772 -2.0597 -2.0597 -2.0282 -2.0282 -1.6577 -1.6577 -1.5189 -1.5189 -1.3750 -1.3750 -1.3060 -1.3060 -1.1152 -1.1152 -1.0601 -1.0601 -1.0082 -1.0082 -0.8682 -0.8682 -0.8283 -0.8283 -0.4157 -0.4157 -0.1339 -0.1339 -0.1047 -0.1047 -0.0882 -0.0882 0.0309 0.0309 0.0511 0.0511 0.0708 0.0708 0.0741 0.0741 2.9055 2.9055 3.5275 3.5275 k = 0.3226-0.1862 0.2634 ( 9373 PWs) bands (ev): -14.9416 -14.9416 -13.7488 -13.7488 -13.7237 -13.7237 -13.7139 -13.7139 -13.5094 -13.5094 -13.3658 -13.3658 -11.7074 -11.7074 -11.7008 -11.7008 -10.1837 -10.1837 -4.6530 -4.6530 -4.3466 -4.3466 -4.3065 -4.3065 -2.3756 -2.3756 -2.2666 -2.2666 -2.0249 -2.0249 -1.9919 -1.9919 -1.6580 -1.6580 -1.5283 -1.5283 -1.3899 -1.3899 -1.3217 -1.3217 -1.1202 -1.1202 -1.0587 -1.0587 -1.0076 -1.0076 -0.9053 -0.9053 -0.8662 -0.8662 -0.4160 -0.4160 -0.1481 -0.1481 -0.1030 -0.1030 -0.0674 -0.0674 0.0253 0.0253 0.0452 0.0452 0.0681 0.0681 0.0715 0.0715 2.9213 2.9213 3.5417 3.5417 k = 0.3387-0.1956 0.2766 ( 9349 PWs) bands (ev): -14.9367 -14.9367 -13.7491 -13.7491 -13.7240 -13.7240 -13.7142 -13.7142 -13.5196 -13.5196 -13.3656 -13.3656 -11.7078 -11.7078 -11.7005 -11.7005 -10.1743 -10.1743 -4.6471 -4.6471 -4.3412 -4.3412 -4.2959 -4.2959 -2.4175 -2.4175 -2.2563 -2.2563 -1.9887 -1.9887 -1.9545 -1.9545 -1.6582 -1.6582 -1.5368 -1.5368 -1.4049 -1.4049 -1.3375 -1.3375 -1.1250 -1.1250 -1.0586 -1.0586 -1.0088 -1.0088 -0.9414 -0.9414 -0.9023 -0.9023 -0.4163 -0.4163 -0.1641 -0.1641 -0.1171 -0.1171 -0.0310 -0.0310 0.0211 0.0211 0.0394 0.0394 0.0656 0.0656 0.0691 0.0691 2.9361 2.9361 3.5552 3.5552 k = 0.3548-0.2049 0.2897 ( 9365 PWs) bands (ev): -14.9319 -14.9319 -13.7492 -13.7492 -13.7243 -13.7243 -13.7146 -13.7146 -13.5296 -13.5296 -13.3654 -13.3654 -11.7081 -11.7081 -11.7003 -11.7003 -10.1654 -10.1654 -4.6415 -4.6415 -4.3361 -4.3361 -4.2854 -4.2854 -2.4573 -2.4573 -2.2466 -2.2466 -1.9513 -1.9513 -1.9160 -1.9160 -1.6584 -1.6584 -1.5442 -1.5442 -1.4200 -1.4200 -1.3535 -1.3535 -1.1296 -1.1296 -1.0613 -1.0613 -1.0145 -1.0145 -0.9746 -0.9746 -0.9336 -0.9336 -0.4167 -0.4167 -0.1795 -0.1795 -0.1305 -0.1305 -0.0037 -0.0037 0.0238 0.0238 0.0338 0.0338 0.0633 0.0633 0.0670 0.0670 2.9499 2.9499 3.5677 3.5677 k = 0.3710-0.2142 0.3029 ( 9357 PWs) bands (ev): -14.9275 -14.9275 -13.7490 -13.7490 -13.7244 -13.7244 -13.7149 -13.7149 -13.5390 -13.5390 -13.3652 -13.3652 -11.7083 -11.7083 -11.7001 -11.7001 -10.1572 -10.1572 -4.6361 -4.6361 -4.3313 -4.3313 -4.2752 -4.2752 -2.4945 -2.4945 -2.2375 -2.2375 -1.9131 -1.9131 -1.8768 -1.8768 -1.6586 -1.6586 -1.5507 -1.5507 -1.4353 -1.4353 -1.3697 -1.3697 -1.1339 -1.1339 -1.0706 -1.0706 -1.0294 -1.0294 -1.0006 -1.0006 -0.9551 -0.9551 -0.4170 -0.4170 -0.1939 -0.1939 -0.1430 -0.1430 0.0016 0.0016 0.0285 0.0285 0.0460 0.0460 0.0614 0.0614 0.0651 0.0651 2.9627 2.9627 3.5792 3.5792 k = 0.3871-0.2235 0.3161 ( 9360 PWs) bands (ev): -14.9235 -14.9235 -13.7487 -13.7487 -13.7245 -13.7245 -13.7152 -13.7152 -13.5479 -13.5479 -13.3650 -13.3650 -11.7086 -11.7086 -11.6999 -11.6999 -10.1497 -10.1497 -4.6313 -4.6313 -4.3270 -4.3270 -4.2656 -4.2656 -2.5286 -2.5286 -2.2292 -2.2292 -1.8742 -1.8742 -1.8370 -1.8370 -1.6586 -1.6586 -1.5564 -1.5564 -1.4510 -1.4510 -1.3865 -1.3865 -1.1379 -1.1379 -1.0904 -1.0904 -1.0545 -1.0545 -1.0152 -1.0152 -0.9651 -0.9651 -0.4173 -0.4173 -0.2070 -0.2070 -0.1544 -0.1544 -0.0011 -0.0011 0.0237 0.0237 0.0592 0.0592 0.0635 0.0635 0.0739 0.0739 2.9741 2.9741 3.5896 3.5896 k = 0.4032-0.2328 0.3292 ( 9372 PWs) bands (ev): -14.9199 -14.9199 -13.7483 -13.7483 -13.7245 -13.7245 -13.7154 -13.7154 -13.5561 -13.5561 -13.3649 -13.3649 -11.7088 -11.7088 -11.6997 -11.6997 -10.1431 -10.1431 -4.6269 -4.6269 -4.3231 -4.3231 -4.2567 -4.2567 -2.5593 -2.5593 -2.2217 -2.2217 -1.8351 -1.8351 -1.7969 -1.7969 -1.6584 -1.6584 -1.5612 -1.5612 -1.4673 -1.4673 -1.4041 -1.4041 -1.1416 -1.1416 -1.1174 -1.1174 -1.0844 -1.0844 -1.0208 -1.0208 -0.9685 -0.9685 -0.4175 -0.4175 -0.2186 -0.2186 -0.1646 -0.1646 -0.0047 -0.0047 0.0194 0.0194 0.0577 0.0577 0.0621 0.0621 0.0992 0.0992 2.9843 2.9843 3.5988 3.5988 k = 0.4194-0.2421 0.3424 ( 9356 PWs) bands (ev): -14.9168 -14.9168 -13.7478 -13.7478 -13.7244 -13.7244 -13.7156 -13.7156 -13.5633 -13.5633 -13.3648 -13.3648 -11.7090 -11.7090 -11.6995 -11.6995 -10.1373 -10.1373 -4.6231 -4.6231 -4.3198 -4.3198 -4.2487 -4.2487 -2.5861 -2.5861 -2.2152 -2.2152 -1.7959 -1.7959 -1.7570 -1.7570 -1.6578 -1.6578 -1.5652 -1.5652 -1.4847 -1.4847 -1.4231 -1.4231 -1.1459 -1.1459 -1.1451 -1.1451 -1.1140 -1.1140 -1.0224 -1.0224 -0.9691 -0.9691 -0.4178 -0.4178 -0.2287 -0.2287 -0.1735 -0.1735 -0.0081 -0.0081 0.0156 0.0156 0.0564 0.0564 0.0609 0.0609 0.1212 0.1212 2.9930 2.9930 3.6067 3.6067 k = 0.4355-0.2514 0.3556 ( 9376 PWs) bands (ev): -14.9142 -14.9142 -13.7473 -13.7473 -13.7243 -13.7243 -13.7158 -13.7158 -13.5695 -13.5695 -13.3646 -13.3646 -11.7092 -11.7092 -11.6994 -11.6994 -10.1326 -10.1326 -4.6199 -4.6199 -4.3170 -4.3170 -4.2418 -4.2418 -2.6085 -2.6085 -2.2098 -2.2098 -1.7571 -1.7571 -1.7184 -1.7184 -1.6560 -1.6560 -1.5687 -1.5687 -1.5035 -1.5035 -1.4441 -1.4441 -1.1725 -1.1725 -1.1508 -1.1508 -1.1382 -1.1382 -1.0226 -1.0226 -0.9688 -0.9688 -0.4180 -0.4180 -0.2371 -0.2371 -0.1809 -0.1809 -0.0111 -0.0111 0.0124 0.0124 0.0552 0.0552 0.0599 0.0599 0.1396 0.1396 3.0002 3.0002 3.6132 3.6132 k = 0.4516-0.2607 0.3687 ( 9368 PWs) bands (ev): -14.9122 -14.9122 -13.7468 -13.7468 -13.7241 -13.7241 -13.7160 -13.7160 -13.5746 -13.5746 -13.3646 -13.3646 -11.7093 -11.7093 -11.6993 -11.6993 -10.1288 -10.1288 -4.6173 -4.6173 -4.3148 -4.3148 -4.2362 -4.2362 -2.6264 -2.6264 -2.2055 -2.2055 -1.7191 -1.7191 -1.6853 -1.6853 -1.6492 -1.6492 -1.5719 -1.5719 -1.5240 -1.5240 -1.4677 -1.4677 -1.1951 -1.1951 -1.1674 -1.1674 -1.1466 -1.1466 -1.0222 -1.0222 -0.9682 -0.9682 -0.4181 -0.4181 -0.2437 -0.2437 -0.1868 -0.1868 -0.0134 -0.0134 0.0099 0.0099 0.0544 0.0544 0.0591 0.0591 0.1541 0.1541 3.0059 3.0059 3.6184 3.6184 k = 0.4677-0.2701 0.3819 ( 9368 PWs) bands (ev): -14.9107 -14.9107 -13.7465 -13.7465 -13.7239 -13.7239 -13.7161 -13.7161 -13.5783 -13.5783 -13.3645 -13.3645 -11.7094 -11.7094 -11.6992 -11.6992 -10.1261 -10.1261 -4.6155 -4.6155 -4.3132 -4.3132 -4.2321 -4.2321 -2.6393 -2.6393 -2.2023 -2.2023 -1.6826 -1.6826 -1.6698 -1.6698 -1.6259 -1.6259 -1.5760 -1.5760 -1.5453 -1.5453 -1.4942 -1.4942 -1.2123 -1.2123 -1.1839 -1.1839 -1.1488 -1.1488 -1.0217 -1.0217 -0.9676 -0.9676 -0.4182 -0.4182 -0.2485 -0.2485 -0.1910 -0.1910 -0.0152 -0.0152 0.0080 0.0080 0.0537 0.0537 0.0586 0.0586 0.1646 0.1646 3.0100 3.0100 3.6221 3.6221 k = 0.4839-0.2794 0.3951 ( 9376 PWs) bands (ev): -14.9098 -14.9098 -13.7462 -13.7462 -13.7238 -13.7238 -13.7161 -13.7161 -13.5806 -13.5806 -13.3645 -13.3645 -11.7095 -11.7095 -11.6992 -11.6992 -10.1244 -10.1244 -4.6144 -4.6144 -4.3122 -4.3122 -4.2296 -4.2296 -2.6472 -2.6472 -2.2004 -2.2004 -1.6663 -1.6663 -1.6488 -1.6488 -1.5922 -1.5922 -1.5869 -1.5869 -1.5611 -1.5611 -1.5237 -1.5237 -1.2230 -1.2230 -1.1943 -1.1943 -1.1499 -1.1499 -1.0214 -1.0214 -0.9672 -0.9672 -0.4183 -0.4183 -0.2515 -0.2515 -0.1936 -0.1936 -0.0162 -0.0162 0.0069 0.0069 0.0534 0.0534 0.0582 0.0582 0.1709 0.1709 3.0125 3.0125 3.6243 3.6243 k = 0.5000-0.2887 0.4082 ( 9384 PWs) bands (ev): -14.9095 -14.9095 -13.7461 -13.7461 -13.7238 -13.7238 -13.7162 -13.7162 -13.5813 -13.5813 -13.3645 -13.3645 -11.7095 -11.7095 -11.6992 -11.6992 -10.1239 -10.1239 -4.6140 -4.6140 -4.3119 -4.3119 -4.2287 -4.2287 -2.6498 -2.6498 -2.1998 -2.1998 -1.6656 -1.6656 -1.6267 -1.6267 -1.6026 -1.6026 -1.5651 -1.5651 -1.5637 -1.5637 -1.5503 -1.5503 -1.2267 -1.2267 -1.1979 -1.1979 -1.1503 -1.1503 -1.0212 -1.0212 -0.9670 -0.9670 -0.4183 -0.4183 -0.2524 -0.2524 -0.1945 -0.1945 -0.0166 -0.0166 0.0065 0.0065 0.0532 0.0532 0.0581 0.0581 0.1730 0.1730 3.0133 3.0133 3.6251 3.6251 k = 0.5000-0.2887 0.4082 ( 9384 PWs) bands (ev): -14.9095 -14.9095 -13.7461 -13.7461 -13.7238 -13.7238 -13.7162 -13.7162 -13.5813 -13.5813 -13.3645 -13.3645 -11.7095 -11.7095 -11.6992 -11.6992 -10.1239 -10.1239 -4.6140 -4.6140 -4.3119 -4.3119 -4.2287 -4.2287 -2.6498 -2.6498 -2.1998 -2.1998 -1.6656 -1.6656 -1.6267 -1.6267 -1.6026 -1.6026 -1.5651 -1.5651 -1.5637 -1.5637 -1.5503 -1.5503 -1.2267 -1.2267 -1.1979 -1.1979 -1.1503 -1.1503 -1.0212 -1.0212 -0.9670 -0.9670 -0.4183 -0.4183 -0.2524 -0.2524 -0.1945 -0.1945 -0.0166 -0.0166 0.0065 0.0065 0.0532 0.0532 0.0581 0.0581 0.1730 0.1730 3.0133 3.0133 3.6251 3.6251 k = 0.5000-0.2706 0.4210 ( 9384 PWs) bands (ev): -14.9094 -14.9094 -13.7462 -13.7462 -13.7240 -13.7240 -13.7165 -13.7165 -13.5803 -13.5803 -13.3648 -13.3648 -11.7095 -11.7095 -11.6992 -11.6992 -10.1239 -10.1239 -4.6141 -4.6141 -4.3119 -4.3119 -4.2290 -4.2290 -2.6480 -2.6480 -2.1990 -2.1990 -1.6758 -1.6758 -1.6220 -1.6220 -1.6077 -1.6077 -1.5701 -1.5701 -1.5602 -1.5602 -1.5404 -1.5404 -1.2284 -1.2284 -1.2011 -1.2011 -1.1430 -1.1430 -1.0222 -1.0222 -0.9680 -0.9680 -0.4196 -0.4196 -0.2515 -0.2515 -0.1940 -0.1940 -0.0167 -0.0167 0.0064 0.0064 0.0527 0.0527 0.0576 0.0576 0.1737 0.1737 3.0133 3.0133 3.6251 3.6251 k = 0.5000-0.2526 0.4338 ( 9368 PWs) bands (ev): -14.9094 -14.9094 -13.7465 -13.7465 -13.7248 -13.7248 -13.7175 -13.7175 -13.5774 -13.5774 -13.3657 -13.3657 -11.7094 -11.7094 -11.6993 -11.6993 -10.1239 -10.1239 -4.6144 -4.6144 -4.3122 -4.3122 -4.2297 -4.2297 -2.6424 -2.6424 -2.1966 -2.1966 -1.6969 -1.6969 -1.6297 -1.6297 -1.6077 -1.6077 -1.5738 -1.5738 -1.5500 -1.5500 -1.5250 -1.5250 -1.2333 -1.2333 -1.2064 -1.2064 -1.1259 -1.1259 -1.0253 -1.0253 -0.9709 -0.9709 -0.4233 -0.4233 -0.2488 -0.2488 -0.1924 -0.1924 -0.0171 -0.0171 0.0061 0.0061 0.0508 0.0508 0.0564 0.0564 0.1758 0.1758 3.0134 3.0134 3.6254 3.6254 k = 0.5000-0.2345 0.4465 ( 9378 PWs) bands (ev): -14.9093 -14.9093 -13.7470 -13.7470 -13.7264 -13.7264 -13.7186 -13.7186 -13.5727 -13.5727 -13.3672 -13.3672 -11.7093 -11.7093 -11.6994 -11.6994 -10.1239 -10.1239 -4.6148 -4.6148 -4.3126 -4.3126 -4.2309 -4.2309 -2.6332 -2.6332 -2.1927 -2.1927 -1.7220 -1.7220 -1.6512 -1.6512 -1.6016 -1.6016 -1.5749 -1.5749 -1.5346 -1.5346 -1.5099 -1.5099 -1.2400 -1.2400 -1.2103 -1.2103 -1.1040 -1.1040 -1.0303 -1.0303 -0.9753 -0.9753 -0.4294 -0.4294 -0.2443 -0.2443 -0.1899 -0.1899 -0.0178 -0.0178 0.0057 0.0057 0.0469 0.0469 0.0553 0.0553 0.1790 0.1790 3.0134 3.0134 3.6258 3.6258 k = 0.5000-0.2165 0.4593 ( 9390 PWs) bands (ev): -14.9092 -14.9092 -13.7480 -13.7480 -13.7286 -13.7286 -13.7196 -13.7196 -13.5665 -13.5665 -13.3693 -13.3693 -11.7091 -11.7091 -11.6996 -11.6996 -10.1240 -10.1240 -4.6155 -4.6155 -4.3131 -4.3131 -4.2324 -4.2324 -2.6205 -2.6205 -2.1871 -2.1871 -1.7491 -1.7491 -1.6760 -1.6760 -1.5966 -1.5966 -1.5750 -1.5750 -1.5169 -1.5169 -1.4960 -1.4960 -1.2460 -1.2460 -1.2130 -1.2130 -1.0797 -1.0797 -1.0374 -1.0374 -0.9809 -0.9809 -0.4380 -0.4380 -0.2383 -0.2383 -0.1865 -0.1865 -0.0192 -0.0192 0.0054 0.0054 0.0414 0.0414 0.0543 0.0543 0.1831 0.1831 3.0134 3.0134 3.6264 3.6264 k = 0.5000-0.1985 0.4720 ( 9372 PWs) bands (ev): -14.9091 -14.9091 -13.7495 -13.7495 -13.7310 -13.7310 -13.7203 -13.7203 -13.5593 -13.5593 -13.3721 -13.3721 -11.7089 -11.7089 -11.6998 -11.6998 -10.1240 -10.1240 -4.6163 -4.6163 -4.3137 -4.3137 -4.2344 -4.2344 -2.6046 -2.6046 -2.1800 -2.1800 -1.7777 -1.7777 -1.7025 -1.7025 -1.5922 -1.5922 -1.5746 -1.5746 -1.5002 -1.5002 -1.4821 -1.4821 -1.2499 -1.2499 -1.2153 -1.2153 -1.0548 -1.0548 -1.0466 -1.0466 -0.9864 -0.9864 -0.4489 -0.4489 -0.2310 -0.2310 -0.1821 -0.1821 -0.0213 -0.0213 0.0054 0.0054 0.0346 0.0346 0.0534 0.0534 0.1877 0.1877 3.0134 3.0134 3.6273 3.6273 k = 0.5000-0.1804 0.4848 ( 9380 PWs) bands (ev): -14.9089 -14.9089 -13.7518 -13.7518 -13.7331 -13.7331 -13.7208 -13.7208 -13.5512 -13.5512 -13.3753 -13.3753 -11.7086 -11.7086 -11.7000 -11.7000 -10.1241 -10.1241 -4.6173 -4.6173 -4.3143 -4.3143 -4.2366 -4.2366 -2.5858 -2.5858 -2.1714 -2.1714 -1.8074 -1.8074 -1.7299 -1.7299 -1.5880 -1.5880 -1.5739 -1.5739 -1.4888 -1.4888 -1.4651 -1.4651 -1.2510 -1.2510 -1.2174 -1.2174 -1.0578 -1.0578 -1.0339 -1.0339 -0.9874 -0.9874 -0.4621 -0.4621 -0.2225 -0.2225 -0.1769 -0.1769 -0.0243 -0.0243 0.0059 0.0059 0.0270 0.0270 0.0522 0.0522 0.1926 0.1926 3.0134 3.0134 3.6284 3.6284 k = 0.5000-0.1624 0.4976 ( 9374 PWs) bands (ev): -14.9088 -14.9088 -13.7547 -13.7547 -13.7346 -13.7346 -13.7213 -13.7213 -13.5425 -13.5425 -13.3791 -13.3791 -11.7083 -11.7083 -11.7003 -11.7003 -10.1241 -10.1241 -4.6183 -4.6183 -4.3149 -4.3149 -4.2390 -4.2390 -2.5644 -2.5644 -2.1613 -2.1613 -1.8379 -1.8379 -1.7578 -1.7578 -1.5836 -1.5836 -1.5729 -1.5729 -1.4830 -1.4830 -1.4451 -1.4451 -1.2491 -1.2491 -1.2194 -1.2194 -1.0709 -1.0709 -1.0272 -1.0272 -0.9740 -0.9740 -0.4774 -0.4774 -0.2132 -0.2132 -0.1709 -0.1709 -0.0283 -0.0283 0.0067 0.0067 0.0190 0.0190 0.0509 0.0509 0.1976 0.1976 3.0134 3.0134 3.6297 3.6297 k = 0.5000-0.1443 0.5103 ( 9358 PWs) bands (ev): -14.9086 -14.9086 -13.7582 -13.7582 -13.7356 -13.7356 -13.7217 -13.7217 -13.5334 -13.5334 -13.3834 -13.3834 -11.7080 -11.7080 -11.7007 -11.7007 -10.1242 -10.1242 -4.6194 -4.6194 -4.3154 -4.3154 -4.2415 -4.2415 -2.5407 -2.5407 -2.1499 -2.1499 -1.8689 -1.8689 -1.7860 -1.7860 -1.5792 -1.5792 -1.5717 -1.5717 -1.4809 -1.4809 -1.4239 -1.4239 -1.2445 -1.2445 -1.2212 -1.2212 -1.0857 -1.0857 -1.0329 -1.0329 -0.9481 -0.9481 -0.4949 -0.4949 -0.2033 -0.2033 -0.1642 -0.1642 -0.0332 -0.0332 0.0065 0.0065 0.0120 0.0120 0.0494 0.0494 0.2024 0.2024 3.0134 3.0134 3.6313 3.6313 k = 0.5000-0.1263 0.5231 ( 9372 PWs) bands (ev): -14.9084 -14.9084 -13.7618 -13.7618 -13.7362 -13.7362 -13.7221 -13.7221 -13.5242 -13.5242 -13.3882 -13.3882 -11.7076 -11.7076 -11.7010 -11.7010 -10.1242 -10.1242 -4.6205 -4.6205 -4.3159 -4.3159 -4.2440 -4.2440 -2.5154 -2.5154 -2.1370 -2.1370 -1.9001 -1.9001 -1.8141 -1.8141 -1.5752 -1.5752 -1.5697 -1.5697 -1.4816 -1.4816 -1.4021 -1.4021 -1.2378 -1.2378 -1.2223 -1.2223 -1.1022 -1.1022 -1.0429 -1.0429 -0.9180 -0.9180 -0.5143 -0.5143 -0.1930 -0.1930 -0.1568 -0.1568 -0.0389 -0.0389 0.0000 0.0000 0.0114 0.0114 0.0477 0.0477 0.2070 0.2070 3.0133 3.0133 3.6332 3.6332 k = 0.5000-0.1083 0.5358 ( 9366 PWs) bands (ev): -14.9082 -14.9082 -13.7654 -13.7654 -13.7365 -13.7365 -13.7225 -13.7225 -13.5150 -13.5150 -13.3933 -13.3933 -11.7072 -11.7072 -11.7015 -11.7015 -10.1243 -10.1243 -4.6216 -4.6216 -4.3163 -4.3163 -4.2465 -4.2465 -2.4890 -2.4890 -2.1231 -2.1231 -1.9308 -1.9308 -1.8419 -1.8419 -1.5725 -1.5725 -1.5660 -1.5660 -1.4842 -1.4842 -1.3802 -1.3802 -1.2319 -1.2319 -1.2206 -1.2206 -1.1199 -1.1199 -1.0546 -1.0546 -0.8864 -0.8864 -0.5355 -0.5355 -0.1827 -0.1827 -0.1489 -0.1489 -0.0452 -0.0452 -0.0086 -0.0086 0.0134 0.0134 0.0458 0.0458 0.2112 0.2112 3.0132 3.0132 3.6352 3.6352 k = 0.5000-0.0902 0.5486 ( 9382 PWs) bands (ev): -14.9081 -14.9081 -13.7686 -13.7686 -13.7366 -13.7366 -13.7229 -13.7229 -13.5061 -13.5061 -13.3986 -13.3986 -11.7067 -11.7067 -11.7019 -11.7019 -10.1243 -10.1243 -4.6226 -4.6226 -4.3166 -4.3166 -4.2487 -4.2487 -2.4623 -2.4623 -2.1082 -2.1082 -1.9602 -1.9602 -1.8693 -1.8693 -1.5710 -1.5710 -1.5610 -1.5610 -1.4883 -1.4883 -1.3580 -1.3580 -1.2305 -1.2305 -1.2125 -1.2125 -1.1386 -1.1386 -1.0674 -1.0674 -0.8542 -0.8542 -0.5585 -0.5585 -0.1727 -0.1727 -0.1406 -0.1406 -0.0522 -0.0522 -0.0173 -0.0173 0.0158 0.0158 0.0436 0.0436 0.2148 0.2148 3.0130 3.0130 3.6373 3.6373 k = 0.5000-0.0722 0.5613 ( 9374 PWs) bands (ev): -14.9080 -14.9080 -13.7714 -13.7714 -13.7365 -13.7365 -13.7232 -13.7232 -13.4976 -13.4976 -13.4040 -13.4040 -11.7063 -11.7063 -11.7023 -11.7023 -10.1244 -10.1244 -4.6235 -4.6235 -4.3168 -4.3168 -4.2508 -4.2508 -2.4364 -2.4364 -2.0932 -2.0932 -1.9869 -1.9869 -1.8961 -1.8961 -1.5700 -1.5700 -1.5553 -1.5553 -1.4932 -1.4932 -1.3359 -1.3359 -1.2313 -1.2313 -1.2012 -1.2012 -1.1580 -1.1580 -1.0808 -1.0808 -0.8218 -0.8218 -0.5831 -0.5831 -0.1633 -0.1633 -0.1318 -0.1318 -0.0598 -0.0598 -0.0256 -0.0256 0.0184 0.0184 0.0413 0.0413 0.2179 0.2179 3.0129 3.0129 3.6394 3.6394 k = 0.5000-0.0541 0.5741 ( 9388 PWs) bands (ev): -14.9079 -14.9079 -13.7737 -13.7737 -13.7365 -13.7365 -13.7234 -13.7234 -13.4900 -13.4900 -13.4091 -13.4091 -11.7058 -11.7058 -11.7028 -11.7028 -10.1244 -10.1244 -4.6243 -4.6243 -4.3170 -4.3170 -4.2525 -4.2525 -2.4126 -2.4126 -2.0799 -2.0799 -2.0077 -2.0077 -1.9220 -1.9220 -1.5692 -1.5692 -1.5496 -1.5496 -1.4986 -1.4986 -1.3138 -1.3138 -1.2325 -1.2325 -1.1907 -1.1907 -1.1757 -1.1757 -1.0946 -1.0946 -0.7896 -0.7896 -0.6091 -0.6091 -0.1549 -0.1549 -0.1229 -0.1229 -0.0677 -0.0677 -0.0331 -0.0331 0.0212 0.0212 0.0388 0.0388 0.2204 0.2204 3.0128 3.0128 3.6413 3.6413 k = 0.5000-0.0361 0.5869 ( 9380 PWs) bands (ev): -14.9078 -14.9078 -13.7754 -13.7754 -13.7364 -13.7364 -13.7236 -13.7236 -13.4838 -13.4838 -13.4136 -13.4136 -11.7053 -11.7053 -11.7033 -11.7033 -10.1244 -10.1244 -4.6249 -4.6249 -4.3170 -4.3170 -4.2537 -4.2537 -2.3929 -2.3929 -2.0732 -2.0732 -2.0162 -2.0162 -1.9468 -1.9468 -1.5687 -1.5687 -1.5443 -1.5443 -1.5039 -1.5039 -1.2918 -1.2918 -1.2339 -1.2339 -1.2010 -1.2010 -1.1722 -1.1722 -1.1084 -1.1084 -0.7578 -0.7578 -0.6364 -0.6364 -0.1482 -0.1482 -0.1138 -0.1138 -0.0760 -0.0760 -0.0392 -0.0392 0.0240 0.0240 0.0363 0.0363 0.2222 0.2222 3.0127 3.0127 3.6428 3.6428 k = 0.5000-0.0180 0.5996 ( 9368 PWs) bands (ev): -14.9077 -14.9077 -13.7764 -13.7764 -13.7364 -13.7364 -13.7238 -13.7238 -13.4795 -13.4795 -13.4168 -13.4168 -11.7048 -11.7048 -11.7038 -11.7038 -10.1245 -10.1245 -4.6252 -4.6252 -4.3171 -4.3171 -4.2545 -4.2545 -2.3795 -2.3795 -2.0749 -2.0749 -2.0085 -2.0085 -1.9701 -1.9701 -1.5684 -1.5684 -1.5400 -1.5400 -1.5081 -1.5081 -1.2703 -1.2703 -1.2371 -1.2371 -1.2183 -1.2183 -1.1604 -1.1604 -1.1211 -1.1211 -0.7269 -0.7269 -0.6646 -0.6646 -0.1437 -0.1437 -0.1050 -0.1050 -0.0842 -0.0842 -0.0433 -0.0433 0.0266 0.0266 0.0338 0.0338 0.2233 0.2233 3.0127 3.0127 3.6438 3.6438 k = 0.5000-0.0000 0.6124 ( 9340 PWs) bands (ev): -14.9077 -14.9077 -13.7767 -13.7767 -13.7364 -13.7364 -13.7238 -13.7238 -13.4780 -13.4780 -13.4180 -13.4180 -11.7043 -11.7043 -11.7043 -11.7043 -10.1245 -10.1245 -4.6253 -4.6253 -4.3171 -4.3171 -4.2548 -4.2548 -2.3748 -2.3748 -2.0769 -2.0769 -1.9915 -1.9915 -1.9912 -1.9912 -1.5683 -1.5683 -1.5383 -1.5383 -1.5098 -1.5098 -1.2530 -1.2530 -1.2472 -1.2472 -1.2254 -1.2254 -1.1537 -1.1537 -1.1280 -1.1280 -0.7030 -0.7030 -0.6876 -0.6876 -0.1422 -0.1422 -0.0995 -0.0995 -0.0895 -0.0895 -0.0447 -0.0447 0.0282 0.0282 0.0323 0.0323 0.2237 0.2237 3.0126 3.0126 3.6442 3.6442 k = 0.5000-0.0000 0.6124 ( 9340 PWs) bands (ev): -14.9077 -14.9077 -13.7767 -13.7767 -13.7364 -13.7364 -13.7238 -13.7238 -13.4780 -13.4780 -13.4180 -13.4180 -11.7043 -11.7043 -11.7043 -11.7043 -10.1245 -10.1245 -4.6253 -4.6253 -4.3171 -4.3171 -4.2548 -4.2548 -2.3748 -2.3748 -2.0769 -2.0769 -1.9915 -1.9915 -1.9912 -1.9912 -1.5683 -1.5683 -1.5383 -1.5383 -1.5098 -1.5098 -1.2530 -1.2530 -1.2472 -1.2472 -1.2254 -1.2254 -1.1537 -1.1537 -1.1280 -1.1280 -0.7030 -0.7030 -0.6876 -0.6876 -0.1422 -0.1422 -0.0995 -0.0995 -0.0895 -0.0895 -0.0447 -0.0447 0.0282 0.0282 0.0323 0.0323 0.2237 0.2237 3.0126 3.0126 3.6442 3.6442 k = 0.4886 0.0197 0.6124 ( 9374 PWs) bands (ev): -14.9078 -14.9078 -13.7773 -13.7773 -13.7360 -13.7360 -13.7233 -13.7233 -13.4787 -13.4787 -13.4174 -13.4174 -11.7047 -11.7047 -11.7039 -11.7039 -10.1246 -10.1246 -4.6258 -4.6258 -4.3177 -4.3177 -4.2537 -4.2537 -2.3768 -2.3768 -2.0761 -2.0761 -2.0042 -2.0042 -1.9764 -1.9764 -1.5790 -1.5790 -1.5355 -1.5355 -1.5020 -1.5020 -1.2647 -1.2647 -1.2418 -1.2418 -1.2239 -1.2239 -1.1566 -1.1566 -1.1193 -1.1193 -0.7187 -0.7187 -0.6724 -0.6724 -0.1431 -0.1431 -0.1027 -0.1027 -0.0862 -0.0862 -0.0444 -0.0444 0.0274 0.0274 0.0337 0.0337 0.2230 0.2230 3.0118 3.0118 3.6427 3.6427 k = 0.4773 0.0394 0.6124 ( 9381 PWs) bands (ev): -14.9080 -14.9080 -13.7789 -13.7789 -13.7353 -13.7353 -13.7215 -13.7215 -13.4808 -13.4808 -13.4159 -13.4159 -11.7050 -11.7050 -11.7036 -11.7036 -10.1249 -10.1249 -4.6270 -4.6270 -4.3193 -4.3193 -4.2506 -4.2506 -2.3824 -2.3824 -2.0747 -2.0747 -2.0130 -2.0130 -1.9606 -1.9606 -1.5986 -1.5986 -1.5351 -1.5351 -1.4829 -1.4829 -1.2801 -1.2801 -1.2396 -1.2396 -1.2223 -1.2223 -1.1651 -1.1651 -1.0970 -1.0970 -0.7403 -0.7403 -0.6525 -0.6525 -0.1456 -0.1456 -0.1080 -0.1080 -0.0802 -0.0802 -0.0435 -0.0435 0.0258 0.0258 0.0371 0.0371 0.2211 0.2211 3.0094 3.0094 3.6389 3.6389 k = 0.4659 0.0590 0.6124 ( 9388 PWs) bands (ev): -14.9083 -14.9083 -13.7811 -13.7811 -13.7347 -13.7347 -13.7184 -13.7184 -13.4839 -13.4839 -13.4137 -13.4137 -11.7054 -11.7054 -11.7032 -11.7032 -10.1254 -10.1254 -4.6290 -4.6290 -4.3214 -4.3214 -4.2463 -4.2463 -2.3908 -2.3908 -2.0746 -2.0746 -2.0166 -2.0166 -1.9443 -1.9443 -1.6202 -1.6202 -1.5351 -1.5351 -1.4609 -1.4609 -1.2959 -1.2959 -1.2409 -1.2409 -1.2191 -1.2191 -1.1754 -1.1754 -1.0696 -1.0696 -0.7621 -0.7621 -0.6333 -0.6333 -0.1491 -0.1491 -0.1133 -0.1133 -0.0740 -0.0740 -0.0427 -0.0427 0.0241 0.0241 0.0419 0.0419 0.2183 0.2183 3.0056 3.0056 3.6339 3.6339 k = 0.4545 0.0787 0.6124 ( 9384 PWs) bands (ev): -14.9086 -14.9086 -13.7836 -13.7836 -13.7345 -13.7345 -13.7143 -13.7143 -13.4876 -13.4876 -13.4111 -13.4111 -11.7057 -11.7057 -11.7029 -11.7029 -10.1260 -10.1260 -4.6316 -4.6316 -4.3235 -4.3235 -4.2412 -4.2412 -2.4009 -2.4009 -2.0773 -2.0773 -2.0146 -2.0146 -1.9277 -1.9277 -1.6426 -1.6426 -1.5338 -1.5338 -1.4391 -1.4391 -1.3119 -1.3119 -1.2447 -1.2447 -1.2132 -1.2132 -1.1861 -1.1861 -1.0417 -1.0417 -0.7837 -0.7837 -0.6156 -0.6156 -0.1534 -0.1534 -0.1182 -0.1182 -0.0680 -0.0680 -0.0422 -0.0422 0.0224 0.0224 0.0474 0.0474 0.2148 0.2148 3.0008 3.0008 3.6286 3.6286 k = 0.4432 0.0984 0.6124 ( 9379 PWs) bands (ev): -14.9090 -14.9090 -13.7861 -13.7861 -13.7344 -13.7344 -13.7097 -13.7097 -13.4916 -13.4916 -13.4085 -13.4085 -11.7060 -11.7060 -11.7026 -11.7026 -10.1266 -10.1266 -4.6344 -4.6344 -4.3254 -4.3254 -4.2359 -4.2359 -2.4117 -2.4117 -2.0821 -2.0821 -2.0087 -2.0087 -1.9107 -1.9107 -1.6650 -1.6650 -1.5306 -1.5306 -1.4185 -1.4185 -1.3275 -1.3275 -1.2494 -1.2494 -1.2077 -1.2077 -1.1945 -1.1945 -1.0153 -1.0153 -0.8045 -0.8045 -0.5995 -0.5995 -0.1579 -0.1579 -0.1226 -0.1226 -0.0623 -0.0623 -0.0420 -0.0420 0.0209 0.0209 0.0534 0.0534 0.2110 0.2110 2.9952 2.9952 3.6237 3.6237 k = 0.4318 0.1181 0.6124 ( 9385 PWs) bands (ev): -14.9093 -14.9093 -13.7885 -13.7885 -13.7344 -13.7344 -13.7050 -13.7050 -13.4956 -13.4956 -13.4060 -13.4060 -11.7062 -11.7062 -11.7024 -11.7024 -10.1272 -10.1272 -4.6374 -4.6374 -4.3269 -4.3269 -4.2308 -4.2308 -2.4222 -2.4222 -2.0876 -2.0876 -2.0012 -2.0012 -1.8935 -1.8935 -1.6872 -1.6872 -1.5258 -1.5258 -1.3999 -1.3999 -1.3423 -1.3423 -1.2540 -1.2540 -1.2133 -1.2133 -1.1908 -1.1908 -0.9915 -0.9915 -0.8242 -0.8242 -0.5853 -0.5853 -0.1624 -0.1624 -0.1264 -0.1264 -0.0573 -0.0573 -0.0421 -0.0421 0.0195 0.0195 0.0593 0.0593 0.2070 0.2070 2.9894 2.9894 3.6193 3.6193 k = 0.4205 0.1378 0.6124 ( 9374 PWs) bands (ev): -14.9097 -14.9097 -13.7905 -13.7905 -13.7345 -13.7345 -13.7007 -13.7007 -13.4994 -13.4994 -13.4037 -13.4037 -11.7065 -11.7065 -11.7022 -11.7022 -10.1278 -10.1278 -4.6402 -4.6402 -4.3281 -4.3281 -4.2262 -4.2262 -2.4317 -2.4317 -2.0928 -2.0928 -1.9937 -1.9937 -1.8761 -1.8761 -1.7089 -1.7089 -1.5194 -1.5194 -1.3856 -1.3856 -1.3538 -1.3538 -1.2581 -1.2581 -1.2240 -1.2240 -1.1814 -1.1814 -0.9712 -0.9712 -0.8419 -0.8419 -0.5734 -0.5734 -0.1665 -0.1665 -0.1296 -0.1296 -0.0531 -0.0531 -0.0423 -0.0423 0.0182 0.0182 0.0648 0.0648 0.2033 0.2033 2.9839 2.9839 3.6158 3.6158 k = 0.4091 0.1575 0.6124 ( 9368 PWs) bands (ev): -14.9100 -14.9100 -13.7922 -13.7922 -13.7346 -13.7346 -13.6969 -13.6969 -13.5026 -13.5026 -13.4019 -13.4019 -11.7066 -11.7066 -11.7020 -11.7020 -10.1283 -10.1283 -4.6426 -4.6426 -4.3289 -4.3289 -4.2223 -4.2223 -2.4396 -2.4396 -2.0971 -2.0971 -1.9873 -1.9873 -1.8586 -1.8586 -1.7298 -1.7298 -1.5122 -1.5122 -1.3833 -1.3833 -1.3542 -1.3542 -1.2615 -1.2615 -1.2348 -1.2348 -1.1719 -1.1719 -0.9550 -0.9550 -0.8570 -0.8570 -0.5638 -0.5638 -0.1700 -0.1700 -0.1321 -0.1321 -0.0498 -0.0498 -0.0423 -0.0423 0.0173 0.0173 0.0695 0.0695 0.2000 0.2000 2.9791 2.9791 3.6131 3.6131 k = 0.3977 0.1771 0.6124 ( 9372 PWs) bands (ev): -14.9102 -14.9102 -13.7934 -13.7934 -13.7347 -13.7347 -13.6940 -13.6940 -13.5051 -13.5051 -13.4006 -13.4006 -11.7068 -11.7068 -11.7019 -11.7019 -10.1286 -10.1286 -4.6444 -4.6444 -4.3295 -4.3295 -4.2194 -4.2194 -2.4456 -2.4456 -2.1003 -2.1003 -1.9824 -1.9824 -1.8415 -1.8415 -1.7495 -1.7495 -1.5051 -1.5051 -1.3910 -1.3910 -1.3452 -1.3452 -1.2638 -1.2638 -1.2446 -1.2446 -1.1639 -1.1639 -0.9434 -0.9434 -0.8686 -0.8686 -0.5569 -0.5569 -0.1726 -0.1726 -0.1339 -0.1339 -0.0478 -0.0478 -0.0421 -0.0421 0.0165 0.0165 0.0731 0.0731 0.1974 0.1974 2.9753 2.9753 3.6112 3.6112 k = 0.3864 0.1968 0.6124 ( 9359 PWs) bands (ev): -14.9103 -14.9103 -13.7941 -13.7941 -13.7347 -13.7347 -13.6922 -13.6922 -13.5066 -13.5066 -13.3997 -13.3997 -11.7069 -11.7069 -11.7018 -11.7018 -10.1288 -10.1288 -4.6456 -4.6456 -4.3298 -4.3298 -4.2175 -4.2175 -2.4493 -2.4493 -2.1023 -2.1023 -1.9794 -1.9794 -1.8263 -1.8263 -1.7662 -1.7662 -1.4996 -1.4996 -1.3982 -1.3982 -1.3371 -1.3371 -1.2652 -1.2652 -1.2519 -1.2519 -1.1585 -1.1585 -0.9366 -0.9366 -0.8757 -0.8757 -0.5527 -0.5527 -0.1743 -0.1743 -0.1349 -0.1349 -0.0469 -0.0469 -0.0417 -0.0417 0.0160 0.0160 0.0754 0.0754 0.1958 0.1958 2.9729 2.9729 3.6100 3.6100 k = 0.3750 0.2165 0.6124 ( 9350 PWs) bands (ev): -14.9103 -14.9103 -13.7944 -13.7944 -13.7348 -13.7348 -13.6916 -13.6916 -13.5072 -13.5072 -13.3994 -13.3994 -11.7069 -11.7069 -11.7018 -11.7018 -10.1289 -10.1289 -4.6460 -4.6460 -4.3299 -4.3299 -4.2169 -4.2169 -2.4505 -2.4505 -2.1029 -2.1029 -1.9784 -1.9784 -1.8188 -1.8188 -1.7743 -1.7743 -1.4975 -1.4975 -1.4010 -1.4010 -1.3340 -1.3340 -1.2656 -1.2656 -1.2547 -1.2547 -1.1566 -1.1566 -0.9343 -0.9343 -0.8781 -0.8781 -0.5513 -0.5513 -0.1748 -0.1748 -0.1353 -0.1353 -0.0466 -0.0466 -0.0415 -0.0415 0.0159 0.0159 0.0761 0.0761 0.1952 0.1952 2.9721 2.9721 3.6097 3.6097 k = 0.3750 0.2165 0.6124 ( 9350 PWs) bands (ev): -14.9103 -14.9103 -13.7944 -13.7944 -13.7348 -13.7348 -13.6916 -13.6916 -13.5072 -13.5072 -13.3994 -13.3994 -11.7069 -11.7069 -11.7018 -11.7018 -10.1289 -10.1289 -4.6460 -4.6460 -4.3299 -4.3299 -4.2169 -4.2169 -2.4505 -2.4505 -2.1029 -2.1029 -1.9784 -1.9784 -1.8188 -1.8188 -1.7743 -1.7743 -1.4975 -1.4975 -1.4010 -1.4010 -1.3340 -1.3340 -1.2656 -1.2656 -1.2547 -1.2547 -1.1566 -1.1566 -0.9343 -0.9343 -0.8781 -0.8781 -0.5513 -0.5513 -0.1748 -0.1748 -0.1353 -0.1353 -0.0466 -0.0466 -0.0415 -0.0415 0.0159 0.0159 0.0761 0.0761 0.1952 0.1952 2.9721 2.9721 3.6097 3.6097 k = 0.3636 0.2099 0.5938 ( 9372 PWs) bands (ev): -14.9111 -14.9111 -13.8010 -13.8010 -13.7341 -13.7341 -13.6867 -13.6867 -13.4985 -13.4985 -13.4051 -13.4051 -11.7065 -11.7065 -11.7022 -11.7022 -10.1307 -10.1307 -4.6535 -4.6535 -4.3347 -4.3347 -4.2100 -4.2100 -2.4203 -2.4203 -2.0882 -2.0882 -2.0056 -2.0056 -1.8422 -1.8422 -1.8023 -1.8023 -1.4812 -1.4812 -1.3882 -1.3882 -1.3258 -1.3258 -1.2917 -1.2917 -1.2542 -1.2542 -1.1395 -1.1395 -0.9223 -0.9223 -0.8523 -0.8523 -0.5718 -0.5718 -0.1668 -0.1668 -0.1252 -0.1252 -0.0546 -0.0546 -0.0482 -0.0482 0.0190 0.0190 0.0791 0.0791 0.1912 0.1912 2.9599 2.9599 3.6013 3.6013 k = 0.3523 0.2034 0.5753 ( 9370 PWs) bands (ev): -14.9122 -14.9122 -13.8070 -13.8070 -13.7333 -13.7333 -13.6817 -13.6817 -13.4900 -13.4900 -13.4108 -13.4108 -11.7061 -11.7061 -11.7026 -11.7026 -10.1330 -10.1330 -4.6614 -4.6614 -4.3400 -4.3400 -4.2023 -4.2023 -2.3898 -2.3898 -2.0796 -2.0796 -2.0236 -2.0236 -1.8662 -1.8662 -1.8302 -1.8302 -1.4652 -1.4652 -1.3813 -1.3813 -1.3399 -1.3399 -1.2960 -1.2960 -1.2489 -1.2489 -1.1192 -1.1192 -0.9099 -0.9099 -0.8265 -0.8265 -0.5928 -0.5928 -0.1603 -0.1603 -0.1147 -0.1147 -0.0622 -0.0622 -0.0530 -0.0530 0.0223 0.0223 0.0820 0.0820 0.1850 0.1850 2.9465 2.9465 3.5913 3.5913 k = 0.3409 0.1968 0.5567 ( 9372 PWs) bands (ev): -14.9135 -14.9135 -13.8123 -13.8123 -13.7325 -13.7325 -13.6767 -13.6767 -13.4818 -13.4818 -13.4165 -13.4165 -11.7057 -11.7057 -11.7029 -11.7029 -10.1357 -10.1357 -4.6694 -4.6694 -4.3457 -4.3457 -4.1945 -4.1945 -2.3595 -2.3595 -2.0876 -2.0876 -2.0215 -2.0215 -1.8909 -1.8909 -1.8577 -1.8577 -1.4523 -1.4523 -1.3943 -1.3943 -1.3456 -1.3456 -1.2882 -1.2882 -1.2426 -1.2426 -1.0958 -1.0958 -0.8972 -0.8972 -0.8011 -0.8011 -0.6140 -0.6140 -0.1560 -0.1560 -0.1038 -0.1038 -0.0675 -0.0675 -0.0570 -0.0570 0.0259 0.0259 0.0850 0.0850 0.1765 0.1765 2.9321 2.9321 3.5799 3.5799 k = 0.3295 0.1903 0.5381 ( 9377 PWs) bands (ev): -14.9151 -14.9151 -13.8168 -13.8168 -13.7317 -13.7317 -13.6717 -13.6717 -13.4738 -13.4738 -13.4221 -13.4221 -11.7054 -11.7054 -11.7033 -11.7033 -10.1389 -10.1389 -4.6774 -4.6774 -4.3517 -4.3517 -4.1869 -4.1869 -2.3298 -2.3298 -2.1057 -2.1057 -2.0055 -2.0055 -1.9162 -1.9162 -1.8845 -1.8845 -1.4564 -1.4564 -1.4071 -1.4071 -1.3368 -1.3368 -1.2800 -1.2800 -1.2356 -1.2356 -1.0697 -1.0697 -0.8842 -0.8842 -0.7762 -0.7762 -0.6351 -0.6351 -0.1542 -0.1542 -0.0926 -0.0926 -0.0697 -0.0697 -0.0603 -0.0603 0.0296 0.0296 0.0879 0.0879 0.1656 0.1656 2.9172 2.9172 3.5673 3.5673 k = 0.3182 0.1837 0.5196 ( 9367 PWs) bands (ev): -14.9171 -14.9171 -13.8204 -13.8204 -13.7308 -13.7308 -13.6669 -13.6669 -13.4661 -13.4661 -13.4274 -13.4274 -11.7050 -11.7050 -11.7037 -11.7037 -10.1427 -10.1427 -4.6852 -4.6852 -4.3580 -4.3580 -4.1801 -4.1801 -2.3012 -2.3012 -2.1245 -2.1245 -1.9858 -1.9858 -1.9414 -1.9414 -1.9103 -1.9103 -1.4853 -1.4853 -1.3980 -1.3980 -1.3252 -1.3252 -1.2725 -1.2725 -1.2279 -1.2279 -1.0416 -1.0416 -0.8709 -0.8709 -0.7520 -0.7520 -0.6558 -0.6558 -0.1548 -0.1548 -0.0812 -0.0812 -0.0689 -0.0689 -0.0625 -0.0625 0.0336 0.0336 0.0907 0.0907 0.1523 0.1523 2.9020 2.9020 3.5538 3.5538 k = 0.3068 0.1771 0.5010 ( 9369 PWs) bands (ev): -14.9194 -14.9194 -13.8232 -13.8232 -13.7299 -13.7299 -13.6624 -13.6624 -13.4586 -13.4586 -13.4323 -13.4323 -11.7047 -11.7047 -11.7040 -11.7040 -10.1471 -10.1471 -4.6925 -4.6925 -4.3644 -4.3644 -4.1744 -4.1744 -2.2743 -2.2743 -2.1407 -2.1407 -1.9766 -1.9766 -1.9569 -1.9569 -1.9329 -1.9329 -1.5206 -1.5206 -1.3825 -1.3825 -1.3133 -1.3133 -1.2656 -1.2656 -1.2196 -1.2196 -1.0118 -1.0118 -0.8575 -0.8575 -0.7289 -0.7289 -0.6754 -0.6754 -0.1569 -0.1569 -0.0703 -0.0703 -0.0670 -0.0670 -0.0621 -0.0621 0.0376 0.0376 0.0932 0.0932 0.1368 0.1368 2.8869 2.8869 3.5395 3.5395 k = 0.2955 0.1706 0.4825 ( 9359 PWs) bands (ev): -14.9220 -14.9220 -13.8250 -13.8250 -13.7291 -13.7291 -13.6584 -13.6584 -13.4515 -13.4515 -13.4367 -13.4367 -11.7044 -11.7044 -11.7043 -11.7043 -10.1520 -10.1520 -4.6992 -4.6992 -4.3710 -4.3710 -4.1703 -4.1703 -2.2500 -2.2500 -2.1528 -2.1528 -1.9987 -1.9987 -1.9664 -1.9664 -1.9288 -1.9288 -1.5558 -1.5558 -1.3661 -1.3661 -1.3015 -1.3015 -1.2590 -1.2590 -1.2109 -1.2109 -0.9808 -0.9808 -0.8447 -0.8447 -0.7100 -0.7100 -0.6903 -0.6903 -0.1594 -0.1594 -0.0680 -0.0680 -0.0593 -0.0593 -0.0566 -0.0566 0.0418 0.0418 0.0951 0.0951 0.1196 0.1196 2.8722 2.8722 3.5246 3.5246 k = 0.2841 0.1640 0.4639 ( 9361 PWs) bands (ev): -14.9250 -14.9250 -13.8259 -13.8259 -13.7282 -13.7282 -13.6550 -13.6550 -13.4447 -13.4447 -13.4404 -13.4404 -11.7045 -11.7045 -11.7042 -11.7042 -10.1575 -10.1575 -4.7052 -4.7052 -4.3776 -4.3776 -4.1681 -4.1681 -2.2292 -2.2292 -2.1598 -2.1598 -2.0245 -2.0245 -1.9897 -1.9897 -1.9061 -1.9061 -1.5888 -1.5888 -1.3498 -1.3498 -1.2900 -1.2900 -1.2523 -1.2523 -1.2019 -1.2019 -0.9490 -0.9490 -0.8331 -0.8331 -0.7152 -0.7152 -0.6796 -0.6796 -0.1614 -0.1614 -0.0679 -0.0679 -0.0542 -0.0542 -0.0455 -0.0455 0.0460 0.0460 0.0923 0.0923 0.1053 0.1053 2.8580 2.8580 3.5092 3.5092 k = 0.2727 0.1575 0.4454 ( 9355 PWs) bands (ev): -14.9284 -14.9284 -13.8258 -13.8258 -13.7273 -13.7273 -13.6523 -13.6523 -13.4432 -13.4432 -13.4382 -13.4382 -11.7047 -11.7047 -11.7039 -11.7039 -10.1637 -10.1637 -4.7104 -4.7104 -4.3842 -4.3842 -4.1681 -4.1681 -2.2136 -2.2136 -2.1606 -2.1606 -2.0501 -2.0501 -2.0141 -2.0141 -1.8823 -1.8823 -1.6180 -1.6180 -1.3344 -1.3344 -1.2790 -1.2790 -1.2453 -1.2453 -1.1925 -1.1925 -0.9167 -0.9167 -0.8246 -0.8246 -0.7267 -0.7267 -0.6593 -0.6593 -0.1623 -0.1623 -0.0673 -0.0673 -0.0508 -0.0508 -0.0340 -0.0340 0.0503 0.0503 0.0760 0.0760 0.1038 0.1038 2.8448 2.8448 3.4936 3.4936 k = 0.2614 0.1509 0.4268 ( 9361 PWs) bands (ev): -14.9321 -14.9321 -13.8248 -13.8248 -13.7264 -13.7264 -13.6504 -13.6504 -13.4451 -13.4451 -13.4320 -13.4320 -11.7049 -11.7049 -11.7037 -11.7037 -10.1704 -10.1704 -4.7147 -4.7147 -4.3908 -4.3908 -4.1705 -4.1705 -2.2035 -2.2035 -2.1556 -2.1556 -2.0747 -2.0747 -2.0383 -2.0383 -1.8599 -1.8599 -1.6416 -1.6416 -1.3200 -1.3200 -1.2685 -1.2685 -1.2378 -1.2378 -1.1828 -1.1828 -0.8844 -0.8844 -0.8217 -0.8217 -0.7322 -0.7322 -0.6390 -0.6390 -0.1616 -0.1616 -0.0661 -0.0661 -0.0506 -0.0506 -0.0224 -0.0224 0.0546 0.0546 0.0576 0.0576 0.1056 0.1056 2.8324 2.8324 3.4778 3.4778 k = 0.2500 0.1443 0.4082 ( 9365 PWs) bands (ev): -14.9361 -14.9361 -13.8229 -13.8229 -13.7256 -13.7256 -13.6494 -13.6494 -13.4460 -13.4460 -13.4261 -13.4261 -11.7050 -11.7050 -11.7035 -11.7035 -10.1777 -10.1777 -4.7182 -4.7182 -4.3971 -4.3971 -4.1753 -4.1753 -2.1973 -2.1973 -2.1482 -2.1482 -2.0972 -2.0972 -2.0621 -2.0621 -1.8407 -1.8407 -1.6573 -1.6573 -1.3069 -1.3069 -1.2585 -1.2585 -1.2296 -1.2296 -1.1729 -1.1729 -0.8529 -0.8529 -0.8258 -0.8258 -0.7291 -0.7291 -0.6193 -0.6193 -0.1592 -0.1592 -0.0669 -0.0669 -0.0546 -0.0546 -0.0111 -0.0111 0.0434 0.0434 0.0589 0.0589 0.1077 0.1077 2.8211 2.8211 3.4619 3.4619 k = 0.2386 0.1378 0.3897 ( 9373 PWs) bands (ev): -14.9405 -14.9405 -13.8201 -13.8201 -13.7247 -13.7247 -13.6494 -13.6494 -13.4458 -13.4458 -13.4206 -13.4206 -11.7051 -11.7051 -11.7034 -11.7034 -10.1856 -10.1856 -4.7208 -4.7208 -4.4033 -4.4033 -4.1826 -4.1826 -2.1941 -2.1941 -2.1433 -2.1433 -2.1145 -2.1145 -2.0848 -2.0848 -1.8265 -1.8265 -1.6629 -1.6629 -1.2953 -1.2953 -1.2488 -1.2488 -1.2207 -1.2207 -1.1629 -1.1629 -0.8398 -0.8398 -0.8178 -0.8178 -0.7188 -0.7188 -0.6003 -0.6003 -0.1554 -0.1554 -0.0793 -0.0793 -0.0549 -0.0549 0.0001 0.0001 0.0363 0.0363 0.0632 0.0632 0.1099 0.1099 2.8108 2.8108 3.4463 3.4463 k = 0.2273 0.1312 0.3711 ( 9369 PWs) bands (ev): -14.9450 -14.9450 -13.8165 -13.8165 -13.7239 -13.7239 -13.6504 -13.6504 -13.4445 -13.4445 -13.4154 -13.4154 -11.7052 -11.7052 -11.7033 -11.7033 -10.1939 -10.1939 -4.7226 -4.7226 -4.4092 -4.4092 -4.1921 -4.1921 -2.1962 -2.1962 -2.1486 -2.1486 -2.1199 -2.1199 -2.1040 -2.1040 -1.8175 -1.8175 -1.6576 -1.6576 -1.2852 -1.2852 -1.2393 -1.2393 -1.2113 -1.2113 -1.1529 -1.1529 -0.8526 -0.8526 -0.7880 -0.7880 -0.7038 -0.7038 -0.5822 -0.5822 -0.1521 -0.1521 -0.1015 -0.1015 -0.0508 -0.0508 0.0110 0.0110 0.0355 0.0355 0.0675 0.0675 0.1120 0.1120 2.8015 2.8015 3.4309 3.4309 k = 0.2159 0.1247 0.3526 ( 9361 PWs) bands (ev): -14.9498 -14.9498 -13.8122 -13.8122 -13.7232 -13.7232 -13.6523 -13.6523 -13.4423 -13.4423 -13.4105 -13.4105 -11.7052 -11.7052 -11.7032 -11.7032 -10.2027 -10.2027 -4.7237 -4.7237 -4.4147 -4.4147 -4.2038 -4.2038 -2.2059 -2.2059 -2.1616 -2.1616 -2.1296 -2.1296 -2.1037 -2.1037 -1.8118 -1.8118 -1.6432 -1.6432 -1.2765 -1.2765 -1.2299 -1.2299 -1.2017 -1.2017 -1.1428 -1.1428 -0.8676 -0.8676 -0.7583 -0.7583 -0.6860 -0.6860 -0.5649 -0.5649 -0.1595 -0.1595 -0.1180 -0.1180 -0.0450 -0.0450 0.0215 0.0215 0.0386 0.0386 0.0717 0.0717 0.1141 0.1141 2.7931 2.7931 3.4160 3.4160 k = 0.2045 0.1181 0.3340 ( 9363 PWs) bands (ev): -14.9547 -14.9547 -13.8073 -13.8073 -13.7224 -13.7224 -13.6549 -13.6549 -13.4391 -13.4391 -13.4059 -13.4059 -11.7051 -11.7051 -11.7032 -11.7032 -10.2119 -10.2119 -4.7242 -4.7242 -4.4198 -4.4198 -4.2173 -4.2173 -2.2216 -2.2216 -2.1784 -2.1784 -2.1455 -2.1455 -2.0879 -2.0879 -1.8067 -1.8067 -1.6228 -1.6228 -1.2690 -1.2690 -1.2205 -1.2205 -1.1919 -1.1919 -1.1329 -1.1329 -0.8830 -0.8830 -0.7301 -0.7301 -0.6661 -0.6661 -0.5484 -0.5484 -0.1886 -0.1886 -0.1153 -0.1153 -0.0380 -0.0380 0.0317 0.0317 0.0437 0.0437 0.0758 0.0758 0.1161 0.1161 2.7854 2.7854 3.4017 3.4017 k = 0.1932 0.1115 0.3155 ( 9361 PWs) bands (ev): -14.9598 -14.9598 -13.8018 -13.8018 -13.7217 -13.7217 -13.6582 -13.6582 -13.4352 -13.4352 -13.4016 -13.4016 -11.7050 -11.7050 -11.7031 -11.7031 -10.2213 -10.2213 -4.7243 -4.7243 -4.4244 -4.4244 -4.2324 -4.2324 -2.2399 -2.2399 -2.1981 -2.1981 -2.1617 -2.1617 -2.0660 -2.0660 -1.8004 -1.8004 -1.5989 -1.5989 -1.2624 -1.2624 -1.2113 -1.2113 -1.1820 -1.1820 -1.1230 -1.1230 -0.8982 -0.8982 -0.7036 -0.7036 -0.6446 -0.6446 -0.5328 -0.5328 -0.2273 -0.2273 -0.1043 -0.1043 -0.0300 -0.0300 0.0414 0.0414 0.0497 0.0497 0.0798 0.0798 0.1180 0.1180 2.7783 2.7783 3.3881 3.3881 k = 0.1818 0.1050 0.2969 ( 9381 PWs) bands (ev): -14.9649 -14.9649 -13.7958 -13.7958 -13.7210 -13.7210 -13.6620 -13.6620 -13.4307 -13.4307 -13.3976 -13.3976 -11.7049 -11.7049 -11.7032 -11.7032 -10.2310 -10.2310 -4.7240 -4.7240 -4.4285 -4.4285 -4.2486 -4.2486 -2.2588 -2.2588 -2.2191 -2.2191 -2.1792 -2.1792 -2.0400 -2.0400 -1.7923 -1.7923 -1.5734 -1.5734 -1.2567 -1.2567 -1.2023 -1.2023 -1.1720 -1.1720 -1.1134 -1.1134 -0.9128 -0.9128 -0.6791 -0.6791 -0.6220 -0.6220 -0.5181 -0.5181 -0.2698 -0.2698 -0.0901 -0.0901 -0.0210 -0.0210 0.0507 0.0507 0.0562 0.0562 0.0836 0.0836 0.1198 0.1198 2.7715 2.7715 3.3755 3.3755 k = 0.1705 0.0984 0.2784 ( 9371 PWs) bands (ev): -14.9701 -14.9701 -13.7894 -13.7894 -13.7203 -13.7203 -13.6663 -13.6663 -13.4257 -13.4257 -13.3939 -13.3939 -11.7047 -11.7047 -11.7032 -11.7032 -10.2408 -10.2408 -4.7235 -4.7235 -4.4320 -4.4320 -4.2656 -4.2656 -2.2775 -2.2775 -2.2403 -2.2403 -2.1981 -2.1981 -2.0109 -2.0109 -1.7824 -1.7824 -1.5472 -1.5472 -1.2515 -1.2515 -1.1939 -1.1939 -1.1618 -1.1618 -1.1041 -1.1041 -0.9266 -0.9266 -0.6563 -0.6563 -0.5987 -0.5987 -0.5044 -0.5044 -0.3143 -0.3143 -0.0741 -0.0741 -0.0112 -0.0112 0.0596 0.0596 0.0626 0.0626 0.0874 0.0874 0.1216 0.1216 2.7648 2.7648 3.3638 3.3638 k = 0.1591 0.0919 0.2598 ( 9373 PWs) bands (ev): -14.9752 -14.9752 -13.7829 -13.7829 -13.7197 -13.7197 -13.6707 -13.6707 -13.4203 -13.4203 -13.3905 -13.3905 -11.7046 -11.7046 -11.7033 -11.7033 -10.2507 -10.2507 -4.7230 -4.7230 -4.4348 -4.4348 -4.2830 -4.2830 -2.2957 -2.2957 -2.2613 -2.2613 -2.2179 -2.2179 -1.9797 -1.9797 -1.7712 -1.7712 -1.5209 -1.5209 -1.2469 -1.2469 -1.1863 -1.1863 -1.1513 -1.1513 -1.0951 -1.0951 -0.9394 -0.9394 -0.6354 -0.6354 -0.5755 -0.5755 -0.4916 -0.4916 -0.3596 -0.3596 -0.0568 -0.0568 -0.0008 -0.0008 0.0679 0.0679 0.0690 0.0690 0.0910 0.0910 0.1233 0.1233 2.7581 2.7581 3.3533 3.3533 k = 0.1477 0.0853 0.2412 ( 9379 PWs) bands (ev): -14.9802 -14.9802 -13.7761 -13.7761 -13.7191 -13.7191 -13.6753 -13.6753 -13.4148 -13.4148 -13.3874 -13.3874 -11.7043 -11.7043 -11.7034 -11.7034 -10.2605 -10.2605 -4.7226 -4.7226 -4.4369 -4.4369 -4.3005 -4.3005 -2.3130 -2.3130 -2.2817 -2.2817 -2.2379 -2.2379 -1.9470 -1.9470 -1.7592 -1.7592 -1.4949 -1.4949 -1.2426 -1.2426 -1.1795 -1.1795 -1.1406 -1.1406 -1.0865 -1.0865 -0.9510 -0.9510 -0.6167 -0.6167 -0.5528 -0.5528 -0.4805 -0.4805 -0.4042 -0.4042 -0.0388 -0.0388 0.0102 0.0102 0.0749 0.0749 0.0759 0.0759 0.0944 0.0944 0.1249 0.1249 2.7512 2.7512 3.3439 3.3439 k = 0.1364 0.0787 0.2227 ( 9375 PWs) bands (ev): -14.9851 -14.9851 -13.7694 -13.7694 -13.7185 -13.7185 -13.6798 -13.6798 -13.4093 -13.4093 -13.3845 -13.3845 -11.7041 -11.7041 -11.7035 -11.7035 -10.2701 -10.2701 -4.7225 -4.7225 -4.4384 -4.4384 -4.3177 -4.3177 -2.3293 -2.3293 -2.3014 -2.3014 -2.2577 -2.2577 -1.9136 -1.9136 -1.7468 -1.7468 -1.4693 -1.4693 -1.2387 -1.2387 -1.1738 -1.1738 -1.1296 -1.1296 -1.0785 -1.0785 -0.9613 -0.9613 -0.6013 -0.6013 -0.5311 -0.5311 -0.4749 -0.4749 -0.4422 -0.4422 -0.0204 -0.0204 0.0215 0.0215 0.0807 0.0807 0.0831 0.0831 0.0977 0.0977 0.1266 0.1266 2.7438 2.7438 3.3358 3.3358 k = 0.1250 0.0722 0.2041 ( 9379 PWs) bands (ev): -14.9898 -14.9898 -13.7628 -13.7628 -13.7180 -13.7180 -13.6843 -13.6843 -13.4038 -13.4038 -13.3820 -13.3820 -11.7039 -11.7039 -11.7036 -11.7036 -10.2794 -10.2794 -4.7227 -4.7227 -4.4391 -4.4391 -4.3343 -4.3343 -2.3447 -2.3447 -2.3202 -2.3202 -2.2766 -2.2766 -1.8801 -1.8801 -1.7343 -1.7343 -1.4442 -1.4442 -1.2350 -1.2350 -1.1690 -1.1690 -1.1185 -1.1185 -1.0712 -1.0712 -0.9702 -0.9702 -0.5935 -0.5935 -0.5114 -0.5114 -0.4933 -0.4933 -0.4497 -0.4497 -0.0020 -0.0020 0.0330 0.0330 0.0860 0.0860 0.0899 0.0899 0.1007 0.1007 0.1282 0.1282 2.7360 2.7360 3.3290 3.3290 k = 0.1136 0.0656 0.1856 ( 9409 PWs) bands (ev): -14.9943 -14.9943 -13.7565 -13.7565 -13.7174 -13.7174 -13.6885 -13.6885 -13.3985 -13.3985 -13.3797 -13.3797 -11.7038 -11.7038 -11.7036 -11.7036 -10.2883 -10.2883 -4.7233 -4.7233 -4.4393 -4.4393 -4.3500 -4.3500 -2.3589 -2.3589 -2.3379 -2.3379 -2.2945 -2.2945 -1.8470 -1.8470 -1.7221 -1.7221 -1.4198 -1.4198 -1.2314 -1.2314 -1.1652 -1.1652 -1.1074 -1.1074 -1.0646 -1.0646 -0.9774 -0.9774 -0.6039 -0.6039 -0.5140 -0.5140 -0.4896 -0.4896 -0.4421 -0.4421 0.0158 0.0158 0.0445 0.0445 0.0909 0.0909 0.0961 0.0961 0.1036 0.1036 0.1299 0.1299 2.7277 2.7277 3.3234 3.3234 k = 0.1023 0.0590 0.1670 ( 9401 PWs) bands (ev): -14.9985 -14.9985 -13.7506 -13.7506 -13.7168 -13.7168 -13.6924 -13.6924 -13.3934 -13.3934 -13.3776 -13.3776 -11.7040 -11.7040 -11.7034 -11.7034 -10.2968 -10.2968 -4.7243 -4.7243 -4.4389 -4.4389 -4.3647 -4.3647 -2.3720 -2.3720 -2.3544 -2.3544 -2.3110 -2.3110 -1.8150 -1.8150 -1.7103 -1.7103 -1.3959 -1.3959 -1.2279 -1.2279 -1.1624 -1.1624 -1.0966 -1.0966 -1.0589 -1.0589 -0.9830 -0.9830 -0.6357 -0.6357 -0.5130 -0.5130 -0.4721 -0.4721 -0.4335 -0.4335 0.0328 0.0328 0.0557 0.0557 0.0954 0.0954 0.1018 0.1018 0.1064 0.1064 0.1315 0.1315 2.7190 2.7190 3.3189 3.3189 k = 0.0909 0.0525 0.1485 ( 9413 PWs) bands (ev): -15.0023 -15.0023 -13.7452 -13.7452 -13.7161 -13.7161 -13.6960 -13.6960 -13.3886 -13.3886 -13.3758 -13.3758 -11.7041 -11.7041 -11.7032 -11.7032 -10.3046 -10.3046 -4.7256 -4.7256 -4.4380 -4.4380 -4.3781 -4.3781 -2.3839 -2.3839 -2.3696 -2.3696 -2.3260 -2.3260 -1.7846 -1.7846 -1.6992 -1.6992 -1.3729 -1.3729 -1.2242 -1.2242 -1.1603 -1.1603 -1.0864 -1.0864 -1.0543 -1.0543 -0.9867 -0.9867 -0.6769 -0.6769 -0.5039 -0.5039 -0.4558 -0.4558 -0.4250 -0.4250 0.0485 0.0485 0.0664 0.0664 0.0994 0.0994 0.1070 0.1070 0.1093 0.1093 0.1331 0.1331 2.7100 2.7100 3.3155 3.3155 k = 0.0795 0.0459 0.1299 ( 9387 PWs) bands (ev): -15.0058 -15.0058 -13.7406 -13.7406 -13.7153 -13.7153 -13.6991 -13.6991 -13.3843 -13.3843 -13.3742 -13.3742 -11.7043 -11.7043 -11.7029 -11.7029 -10.3118 -10.3118 -4.7273 -4.7273 -4.4368 -4.4368 -4.3900 -4.3900 -2.3945 -2.3945 -2.3833 -2.3833 -2.3394 -2.3394 -1.7563 -1.7563 -1.6890 -1.6890 -1.3509 -1.3509 -1.2199 -1.2199 -1.1590 -1.1590 -1.0770 -1.0770 -1.0507 -1.0507 -0.9886 -0.9886 -0.7204 -0.7204 -0.4931 -0.4931 -0.4410 -0.4410 -0.4172 -0.4172 0.0624 0.0624 0.0764 0.0764 0.1030 0.1030 0.1104 0.1104 0.1134 0.1134 0.1348 0.1348 2.7010 2.7010 3.3129 3.3129 k = 0.0682 0.0394 0.1113 ( 9383 PWs) bands (ev): -15.0089 -15.0089 -13.7369 -13.7369 -13.7143 -13.7143 -13.7017 -13.7017 -13.3804 -13.3804 -13.3728 -13.3728 -11.7044 -11.7044 -11.7027 -11.7027 -10.3182 -10.3182 -4.7290 -4.7290 -4.4354 -4.4354 -4.4005 -4.4005 -2.4038 -2.4038 -2.3955 -2.3955 -2.3510 -2.3510 -1.7306 -1.7306 -1.6798 -1.6798 -1.3306 -1.3306 -1.2144 -1.2144 -1.1582 -1.1582 -1.0685 -1.0685 -1.0482 -1.0482 -0.9890 -0.9890 -0.7637 -0.7637 -0.4827 -0.4827 -0.4278 -0.4278 -0.4101 -0.4101 0.0742 0.0742 0.0855 0.0855 0.1061 0.1061 0.1127 0.1127 0.1185 0.1185 0.1363 0.1363 2.6921 2.6921 3.3112 3.3112 k = 0.0568 0.0328 0.0928 ( 9385 PWs) bands (ev): -15.0116 -15.0116 -13.7342 -13.7342 -13.7130 -13.7130 -13.7038 -13.7038 -13.3770 -13.3770 -13.3717 -13.3717 -11.7045 -11.7045 -11.7025 -11.7025 -10.3238 -10.3238 -4.7309 -4.7309 -4.4339 -4.4339 -4.4094 -4.4094 -2.4118 -2.4118 -2.4060 -2.4060 -2.3608 -2.3608 -1.7079 -1.7079 -1.6718 -1.6718 -1.3127 -1.3127 -1.2071 -1.2071 -1.1578 -1.1578 -1.0612 -1.0612 -1.0466 -1.0466 -0.9883 -0.9883 -0.8053 -0.8053 -0.4736 -0.4736 -0.4162 -0.4162 -0.4038 -0.4038 0.0835 0.0835 0.0933 0.0933 0.1090 0.1090 0.1146 0.1146 0.1238 0.1238 0.1377 0.1377 2.6838 2.6838 3.3100 3.3100 k = 0.0455 0.0262 0.0742 ( 9387 PWs) bands (ev): -15.0138 -15.0138 -13.7324 -13.7324 -13.7116 -13.7116 -13.7055 -13.7055 -13.3742 -13.3742 -13.3707 -13.3707 -11.7047 -11.7047 -11.7024 -11.7024 -10.3285 -10.3285 -4.7326 -4.7326 -4.4325 -4.4325 -4.4166 -4.4166 -2.4185 -2.4185 -2.4147 -2.4147 -2.3689 -2.3689 -1.6886 -1.6886 -1.6651 -1.6651 -1.2983 -1.2983 -1.1971 -1.1971 -1.1576 -1.1576 -1.0552 -1.0552 -1.0456 -1.0456 -0.9868 -0.9868 -0.8441 -0.8441 -0.4659 -0.4659 -0.4065 -0.4065 -0.3985 -0.3985 0.0903 0.0903 0.0995 0.0995 0.1117 0.1117 0.1162 0.1162 0.1292 0.1292 0.1390 0.1390 2.6764 2.6764 3.3093 3.3093 k = 0.0341 0.0197 0.0557 ( 9383 PWs) bands (ev): -15.0156 -15.0156 -13.7313 -13.7313 -13.7102 -13.7102 -13.7066 -13.7066 -13.3720 -13.3720 -13.3700 -13.3700 -11.7048 -11.7048 -11.7023 -11.7023 -10.3322 -10.3322 -4.7341 -4.7341 -4.4313 -4.4313 -4.4223 -4.4223 -2.4237 -2.4237 -2.4215 -2.4215 -2.3752 -2.3752 -1.6732 -1.6732 -1.6598 -1.6598 -1.2880 -1.2880 -1.1849 -1.1849 -1.1576 -1.1576 -1.0505 -1.0505 -1.0450 -1.0450 -0.9850 -0.9850 -0.8787 -0.8787 -0.4600 -0.4600 -0.3988 -0.3988 -0.3942 -0.3942 0.0951 0.0951 0.1040 0.1040 0.1144 0.1144 0.1175 0.1175 0.1341 0.1341 0.1400 0.1400 2.6701 2.6701 3.3089 3.3089 k = 0.0227 0.0131 0.0371 ( 9387 PWs) bands (ev): -15.0168 -15.0168 -13.7308 -13.7308 -13.7091 -13.7091 -13.7074 -13.7074 -13.3704 -13.3704 -13.3695 -13.3695 -11.7048 -11.7048 -11.7022 -11.7022 -10.3348 -10.3348 -4.7353 -4.7353 -4.4304 -4.4304 -4.4263 -4.4263 -2.4274 -2.4274 -2.4265 -2.4265 -2.3796 -2.3796 -1.6620 -1.6620 -1.6559 -1.6559 -1.2814 -1.2814 -1.1720 -1.1720 -1.1577 -1.1577 -1.0471 -1.0471 -1.0447 -1.0447 -0.9835 -0.9835 -0.9072 -0.9072 -0.4557 -0.4557 -0.3931 -0.3931 -0.3910 -0.3910 0.0981 0.0981 0.1067 0.1067 0.1168 0.1168 0.1184 0.1184 0.1380 0.1380 0.1408 0.1408 2.6655 2.6655 3.3087 3.3087 k = 0.0114 0.0066 0.0186 ( 9383 PWs) bands (ev): -15.0176 -15.0176 -13.7305 -13.7305 -13.7083 -13.7083 -13.7079 -13.7079 -13.3694 -13.3694 -13.3692 -13.3692 -11.7049 -11.7049 -11.7021 -11.7021 -10.3364 -10.3364 -4.7360 -4.7360 -4.4298 -4.4298 -4.4287 -4.4287 -2.4297 -2.4297 -2.4294 -2.4294 -2.3823 -2.3823 -1.6551 -1.6551 -1.6536 -1.6536 -1.2779 -1.2779 -1.1618 -1.1618 -1.1578 -1.1578 -1.0451 -1.0451 -1.0445 -1.0445 -0.9824 -0.9824 -0.9265 -0.9265 -0.4532 -0.4532 -0.3896 -0.3896 -0.3891 -0.3891 0.0997 0.0997 0.1081 0.1081 0.1186 0.1186 0.1190 0.1190 0.1405 0.1405 0.1412 0.1412 2.6625 2.6625 3.3086 3.3086 k = 0.0000 0.0000 0.0000 ( 9377 PWs) bands (ev): -15.0179 -15.0179 -13.7305 -13.7305 -13.7080 -13.7080 -13.7080 -13.7080 -13.3691 -13.3691 -13.3691 -13.3691 -11.7049 -11.7049 -11.7021 -11.7021 -10.3370 -10.3370 -4.7363 -4.7363 -4.4296 -4.4296 -4.4296 -4.4296 -2.4304 -2.4304 -2.4304 -2.4304 -2.3832 -2.3832 -1.6528 -1.6528 -1.6528 -1.6528 -1.2768 -1.2768 -1.1578 -1.1578 -1.1578 -1.1578 -1.0444 -1.0444 -1.0444 -1.0444 -0.9821 -0.9821 -0.9335 -0.9335 -0.4524 -0.4524 -0.3884 -0.3884 -0.3884 -0.3884 0.1003 0.1003 0.1085 0.1085 0.1192 0.1192 0.1192 0.1192 0.1414 0.1414 0.1414 0.1414 2.6616 2.6616 3.3086 3.3086 k = 0.0000 0.0000 0.0000 ( 9377 PWs) bands (ev): -15.0179 -15.0179 -13.7305 -13.7305 -13.7080 -13.7080 -13.7080 -13.7080 -13.3691 -13.3691 -13.3691 -13.3691 -11.7049 -11.7049 -11.7021 -11.7021 -10.3370 -10.3370 -4.7363 -4.7363 -4.4296 -4.4296 -4.4296 -4.4296 -2.4304 -2.4304 -2.4304 -2.4304 -2.3832 -2.3832 -1.6528 -1.6528 -1.6528 -1.6528 -1.2768 -1.2768 -1.1578 -1.1578 -1.1578 -1.1578 -1.0444 -1.0444 -1.0444 -1.0444 -0.9821 -0.9821 -0.9335 -0.9335 -0.4524 -0.4524 -0.3884 -0.3884 -0.3884 -0.3884 0.1003 0.1003 0.1085 0.1085 0.1192 0.1192 0.1192 0.1192 0.1414 0.1414 0.1414 0.1414 2.6616 2.6616 3.3086 3.3086 k = 0.0185 0.0107 0.0076 ( 9381 PWs) bands (ev): -15.0176 -15.0176 -13.7305 -13.7305 -13.7083 -13.7083 -13.7078 -13.7078 -13.3693 -13.3693 -13.3693 -13.3693 -11.7049 -11.7049 -11.7021 -11.7021 -10.3364 -10.3364 -4.7360 -4.7360 -4.4298 -4.4298 -4.4287 -4.4287 -2.4297 -2.4297 -2.4295 -2.4295 -2.3823 -2.3823 -1.6544 -1.6544 -1.6543 -1.6543 -1.2779 -1.2779 -1.1618 -1.1618 -1.1577 -1.1577 -1.0451 -1.0451 -1.0444 -1.0444 -0.9824 -0.9824 -0.9266 -0.9266 -0.4532 -0.4532 -0.3895 -0.3895 -0.3892 -0.3892 0.0997 0.0997 0.1081 0.1081 0.1185 0.1185 0.1190 0.1190 0.1405 0.1405 0.1413 0.1413 2.6625 2.6625 3.3085 3.3085 k = 0.0370 0.0214 0.0151 ( 9387 PWs) bands (ev): -15.0168 -15.0168 -13.7308 -13.7308 -13.7091 -13.7091 -13.7073 -13.7073 -13.3700 -13.3700 -13.3699 -13.3699 -11.7048 -11.7048 -11.7022 -11.7022 -10.3348 -10.3348 -4.7353 -4.7353 -4.4306 -4.4306 -4.4260 -4.4260 -2.4273 -2.4273 -2.4266 -2.4266 -2.3796 -2.3796 -1.6591 -1.6591 -1.6587 -1.6587 -1.2814 -1.2814 -1.1720 -1.1720 -1.1576 -1.1576 -1.0472 -1.0472 -1.0445 -1.0445 -0.9835 -0.9835 -0.9073 -0.9073 -0.4557 -0.4557 -0.3926 -0.3926 -0.3915 -0.3915 0.0981 0.0981 0.1067 0.1067 0.1168 0.1168 0.1185 0.1185 0.1379 0.1379 0.1409 0.1409 2.6654 2.6654 3.3082 3.3082 k = 0.0556 0.0321 0.0227 ( 9384 PWs) bands (ev): -15.0156 -15.0156 -13.7314 -13.7314 -13.7103 -13.7103 -13.7065 -13.7065 -13.3710 -13.3710 -13.3710 -13.3710 -11.7048 -11.7048 -11.7023 -11.7023 -10.3322 -10.3322 -4.7342 -4.7342 -4.4319 -4.4319 -4.4217 -4.4217 -2.4234 -2.4234 -2.4218 -2.4218 -2.3752 -2.3752 -1.6669 -1.6669 -1.6661 -1.6661 -1.2882 -1.2882 -1.1846 -1.1846 -1.1577 -1.1577 -1.0504 -1.0504 -1.0449 -1.0449 -0.9848 -0.9848 -0.8792 -0.8792 -0.4598 -0.4598 -0.3977 -0.3977 -0.3952 -0.3952 0.0949 0.0949 0.1039 0.1039 0.1144 0.1144 0.1176 0.1176 0.1339 0.1339 0.1403 0.1403 2.6700 2.6700 3.3077 3.3077 k = 0.0741 0.0428 0.0302 ( 9387 PWs) bands (ev): -15.0138 -15.0138 -13.7328 -13.7328 -13.7114 -13.7114 -13.7053 -13.7053 -13.3725 -13.3725 -13.3724 -13.3724 -11.7047 -11.7047 -11.7024 -11.7024 -10.3285 -10.3285 -4.7328 -4.7328 -4.4334 -4.4334 -4.4156 -4.4156 -2.4180 -2.4180 -2.4152 -2.4152 -2.3691 -2.3691 -1.6775 -1.6775 -1.6762 -1.6762 -1.2989 -1.2989 -1.1963 -1.1963 -1.1585 -1.1585 -1.0542 -1.0542 -1.0457 -1.0457 -0.9861 -0.9861 -0.8451 -0.8451 -0.4655 -0.4655 -0.4048 -0.4048 -0.4003 -0.4003 0.0898 0.0898 0.0994 0.0994 0.1119 0.1119 0.1165 0.1165 0.1291 0.1291 0.1395 0.1395 2.6760 2.6760 3.3074 3.3074 k = 0.0926 0.0535 0.0378 ( 9393 PWs) bands (ev): -15.0116 -15.0116 -13.7352 -13.7352 -13.7120 -13.7120 -13.7038 -13.7038 -13.3744 -13.3744 -13.3743 -13.3743 -11.7046 -11.7046 -11.7025 -11.7025 -10.3239 -10.3239 -4.7313 -4.7313 -4.4351 -4.4351 -4.4079 -4.4079 -2.4110 -2.4110 -2.4068 -2.4068 -2.3612 -2.3612 -1.6909 -1.6909 -1.6889 -1.6889 -1.3135 -1.3135 -1.2055 -1.2055 -1.1608 -1.1608 -1.0578 -1.0578 -1.0472 -1.0472 -0.9867 -0.9867 -0.8071 -0.8071 -0.4727 -0.4727 -0.4136 -0.4136 -0.4066 -0.4066 0.0821 0.0821 0.0930 0.0930 0.1095 0.1095 0.1151 0.1151 0.1242 0.1242 0.1384 0.1384 2.6829 2.6829 3.3076 3.3076 k = 0.1111 0.0642 0.0454 ( 9399 PWs) bands (ev): -15.0090 -15.0090 -13.7390 -13.7390 -13.7119 -13.7119 -13.7020 -13.7020 -13.3766 -13.3766 -13.3765 -13.3765 -11.7044 -11.7044 -11.7027 -11.7027 -10.3184 -10.3184 -4.7299 -4.7299 -4.4365 -4.4365 -4.3986 -4.3986 -2.4027 -2.4027 -2.3966 -2.3966 -2.3516 -2.3516 -1.7068 -1.7068 -1.7040 -1.7040 -1.3313 -1.3313 -1.2127 -1.2127 -1.1654 -1.1654 -1.0605 -1.0605 -1.0495 -1.0495 -0.9861 -0.9861 -0.7667 -0.7667 -0.4811 -0.4811 -0.4242 -0.4242 -0.4140 -0.4140 0.0716 0.0716 0.0848 0.0848 0.1071 0.1071 0.1134 0.1134 0.1198 0.1198 0.1372 0.1372 2.6902 2.6902 3.3085 3.3085 k = 0.1296 0.0748 0.0529 ( 9405 PWs) bands (ev): -15.0059 -15.0059 -13.7441 -13.7441 -13.7110 -13.7110 -13.6998 -13.6998 -13.3792 -13.3792 -13.3791 -13.3791 -11.7043 -11.7043 -11.7029 -11.7029 -10.3120 -10.3120 -4.7289 -4.7289 -4.4375 -4.4375 -4.3878 -4.3878 -2.3930 -2.3930 -2.3847 -2.3847 -2.3404 -2.3404 -1.7248 -1.7248 -1.7212 -1.7212 -1.3509 -1.3509 -1.2191 -1.2191 -1.1731 -1.1731 -1.0613 -1.0613 -1.0524 -1.0524 -0.9839 -0.9839 -0.7248 -0.7248 -0.4904 -0.4904 -0.4363 -0.4363 -0.4224 -0.4224 0.0584 0.0584 0.0747 0.0747 0.1045 0.1045 0.1116 0.1116 0.1161 0.1161 0.1357 0.1357 2.6973 2.6973 3.3105 3.3105 k = 0.1481 0.0855 0.0605 ( 9411 PWs) bands (ev): -15.0024 -15.0024 -13.7503 -13.7503 -13.7095 -13.7095 -13.6974 -13.6974 -13.3822 -13.3822 -13.3821 -13.3821 -11.7043 -11.7043 -11.7030 -11.7030 -10.3049 -10.3049 -4.7285 -4.7285 -4.4377 -4.4377 -4.3756 -4.3756 -2.3820 -2.3820 -2.3712 -2.3712 -2.3276 -2.3276 -1.7448 -1.7448 -1.7403 -1.7403 -1.3712 -1.3712 -1.2261 -1.2261 -1.1845 -1.1845 -1.0598 -1.0598 -1.0551 -1.0551 -0.9802 -0.9802 -0.6829 -0.6829 -0.5000 -0.5000 -0.4498 -0.4498 -0.4317 -0.4317 0.0429 0.0429 0.0631 0.0631 0.1020 0.1020 0.1096 0.1096 0.1129 0.1129 0.1340 0.1340 2.7036 2.7036 3.3141 3.3141 k = 0.1667 0.0962 0.0680 ( 9399 PWs) bands (ev): -14.9986 -14.9986 -13.7574 -13.7574 -13.7074 -13.7074 -13.6947 -13.6947 -13.3855 -13.3855 -13.3853 -13.3853 -11.7043 -11.7043 -11.7031 -11.7031 -10.2972 -10.2972 -4.7290 -4.7290 -4.4369 -4.4369 -4.3621 -4.3621 -2.3699 -2.3699 -2.3562 -2.3562 -2.3133 -2.3133 -1.7664 -1.7664 -1.7609 -1.7609 -1.3916 -1.3916 -1.2349 -1.2349 -1.1995 -1.1995 -1.0571 -1.0571 -1.0560 -1.0560 -0.9750 -0.9750 -0.6429 -0.6429 -0.5081 -0.5081 -0.4644 -0.4644 -0.4417 -0.4417 0.0255 0.0255 0.0500 0.0500 0.0993 0.0993 0.1076 0.1076 0.1101 0.1101 0.1321 0.1321 2.7085 2.7085 3.3197 3.3197 k = 0.1852 0.1069 0.0756 ( 9396 PWs) bands (ev): -14.9945 -14.9945 -13.7653 -13.7653 -13.7049 -13.7049 -13.6918 -13.6918 -13.3890 -13.3890 -13.3888 -13.3888 -11.7044 -11.7044 -11.7030 -11.7030 -10.2889 -10.2889 -4.7306 -4.7306 -4.4347 -4.4347 -4.3474 -4.3474 -2.3568 -2.3568 -2.3398 -2.3398 -2.2976 -2.2976 -1.7892 -1.7892 -1.7827 -1.7827 -1.4116 -1.4116 -1.2463 -1.2463 -1.2178 -1.2178 -1.0575 -1.0575 -1.0501 -1.0501 -0.9684 -0.9684 -0.6096 -0.6096 -0.5105 -0.5105 -0.4801 -0.4801 -0.4522 -0.4522 0.0065 0.0065 0.0359 0.0359 0.0967 0.0967 0.1054 0.1054 0.1075 0.1075 0.1301 0.1301 2.7114 2.7114 3.3275 3.3275 k = 0.2037 0.1176 0.0832 ( 9402 PWs) bands (ev): -14.9901 -14.9901 -13.7738 -13.7738 -13.7020 -13.7020 -13.6886 -13.6886 -13.3929 -13.3929 -13.3926 -13.3926 -11.7046 -11.7046 -11.7029 -11.7029 -10.2802 -10.2802 -4.7334 -4.7334 -4.4310 -4.4310 -4.3316 -4.3316 -2.3430 -2.3430 -2.3222 -2.3222 -2.2807 -2.2807 -1.8128 -1.8128 -1.8052 -1.8052 -1.4310 -1.4310 -1.2608 -1.2608 -1.2389 -1.2389 -1.0560 -1.0560 -1.0424 -1.0424 -0.9607 -0.9607 -0.5924 -0.5924 -0.4990 -0.4990 -0.4967 -0.4967 -0.4620 -0.4620 -0.0136 -0.0136 0.0208 0.0208 0.0940 0.0940 0.1033 0.1033 0.1049 0.1049 0.1279 0.1279 2.7119 2.7119 3.3377 3.3377 k = 0.2222 0.1283 0.0907 ( 9390 PWs) bands (ev): -14.9855 -14.9855 -13.7826 -13.7826 -13.6989 -13.6989 -13.6852 -13.6852 -13.3969 -13.3969 -13.3967 -13.3967 -11.7049 -11.7049 -11.7028 -11.7028 -10.2712 -10.2712 -4.7376 -4.7376 -4.4257 -4.4257 -4.3150 -4.3150 -2.3286 -2.3286 -2.3035 -2.3035 -2.2626 -2.2626 -1.8368 -1.8368 -1.8278 -1.8278 -1.4498 -1.4498 -1.2785 -1.2785 -1.2626 -1.2626 -1.0524 -1.0524 -1.0333 -1.0333 -0.9519 -0.9519 -0.5934 -0.5934 -0.5140 -0.5140 -0.4851 -0.4851 -0.4577 -0.4577 -0.0345 -0.0345 0.0050 0.0050 0.0914 0.0914 0.1011 0.1011 0.1024 0.1024 0.1257 0.1257 2.7098 2.7098 3.3504 3.3504 k = 0.2407 0.1390 0.0983 ( 9372 PWs) bands (ev): -14.9808 -14.9808 -13.7918 -13.7918 -13.6955 -13.6955 -13.6817 -13.6817 -13.4011 -13.4011 -13.4009 -13.4009 -11.7052 -11.7052 -11.7026 -11.7026 -10.2620 -10.2620 -4.7430 -4.7430 -4.4188 -4.4188 -4.2978 -4.2978 -2.3141 -2.3141 -2.2842 -2.2842 -2.2435 -2.2435 -1.8604 -1.8604 -1.8499 -1.8499 -1.4679 -1.4679 -1.2991 -1.2991 -1.2883 -1.2883 -1.0468 -1.0468 -1.0231 -1.0231 -0.9422 -0.9422 -0.6037 -0.6037 -0.5319 -0.5319 -0.4936 -0.4936 -0.4238 -0.4238 -0.0559 -0.0559 -0.0114 -0.0114 0.0888 0.0888 0.0991 0.0991 0.1000 0.1000 0.1233 0.1233 2.7052 2.7052 3.3653 3.3653 k = 0.2593 0.1497 0.1058 ( 9360 PWs) bands (ev): -14.9760 -14.9760 -13.8011 -13.8011 -13.6920 -13.6920 -13.6780 -13.6780 -13.4055 -13.4055 -13.4052 -13.4052 -11.7056 -11.7056 -11.7024 -11.7024 -10.2527 -10.2527 -4.7495 -4.7495 -4.4105 -4.4105 -4.2800 -4.2800 -2.2998 -2.2998 -2.2645 -2.2645 -2.2238 -2.2238 -1.8830 -1.8830 -1.8709 -1.8709 -1.4855 -1.4855 -1.3224 -1.3224 -1.3160 -1.3160 -1.0395 -1.0395 -1.0119 -1.0119 -0.9316 -0.9316 -0.6179 -0.6179 -0.5502 -0.5502 -0.5063 -0.5063 -0.3839 -0.3839 -0.0774 -0.0774 -0.0279 -0.0279 0.0863 0.0863 0.0971 0.0971 0.0975 0.0975 0.1209 0.1209 2.6980 2.6980 3.3823 3.3823 k = 0.2778 0.1604 0.1134 ( 9363 PWs) bands (ev): -14.9711 -14.9711 -13.8103 -13.8103 -13.6884 -13.6884 -13.6743 -13.6743 -13.4099 -13.4099 -13.4096 -13.4096 -11.7059 -11.7059 -11.7022 -11.7022 -10.2435 -10.2435 -4.7569 -4.7569 -4.4010 -4.4010 -4.2620 -4.2620 -2.2864 -2.2864 -2.2450 -2.2450 -2.2034 -2.2034 -1.9037 -1.9037 -1.8899 -1.8899 -1.5027 -1.5027 -1.3479 -1.3479 -1.3452 -1.3452 -1.0306 -1.0306 -0.9998 -0.9998 -0.9203 -0.9203 -0.6338 -0.6338 -0.5688 -0.5688 -0.5201 -0.5201 -0.3436 -0.3436 -0.0986 -0.0986 -0.0444 -0.0444 0.0839 0.0839 0.0951 0.0951 0.0952 0.0952 0.1184 0.1184 2.6887 2.6887 3.4008 3.4008 k = 0.2963 0.1711 0.1210 ( 9387 PWs) bands (ev): -14.9663 -14.9663 -13.8195 -13.8195 -13.6847 -13.6847 -13.6705 -13.6705 -13.4144 -13.4144 -13.4141 -13.4141 -11.7062 -11.7062 -11.7020 -11.7020 -10.2345 -10.2345 -4.7649 -4.7649 -4.3906 -4.3906 -4.2439 -4.2439 -2.2745 -2.2745 -2.2269 -2.2269 -2.1826 -2.1826 -1.9214 -1.9214 -1.9057 -1.9057 -1.5195 -1.5195 -1.3757 -1.3757 -1.3752 -1.3752 -1.0205 -1.0205 -0.9870 -0.9870 -0.9083 -0.9083 -0.6507 -0.6507 -0.5876 -0.5876 -0.5346 -0.5346 -0.3045 -0.3045 -0.1192 -0.1192 -0.0606 -0.0606 0.0817 0.0817 0.0927 0.0927 0.0935 0.0935 0.1159 0.1159 2.6775 2.6775 3.4203 3.4203 k = 0.3148 0.1818 0.1285 ( 9366 PWs) bands (ev): -14.9615 -14.9615 -13.8284 -13.8284 -13.6810 -13.6810 -13.6667 -13.6667 -13.4188 -13.4188 -13.4185 -13.4185 -11.7065 -11.7065 -11.7019 -11.7019 -10.2258 -10.2258 -4.7734 -4.7734 -4.3795 -4.3795 -4.2261 -4.2261 -2.2649 -2.2649 -2.2112 -2.2112 -2.1613 -2.1613 -1.9346 -1.9346 -1.9175 -1.9175 -1.5362 -1.5362 -1.4074 -1.4074 -1.4040 -1.4040 -1.0093 -1.0093 -0.9736 -0.9736 -0.8957 -0.8957 -0.6680 -0.6680 -0.6066 -0.6066 -0.5496 -0.5496 -0.2678 -0.2678 -0.1387 -0.1387 -0.0757 -0.0757 0.0796 0.0796 0.0905 0.0905 0.0919 0.0919 0.1134 0.1134 2.6651 2.6651 3.4404 3.4404 k = 0.3333 0.1925 0.1361 ( 9378 PWs) bands (ev): -14.9570 -14.9570 -13.8369 -13.8369 -13.6774 -13.6774 -13.6629 -13.6629 -13.4232 -13.4232 -13.4229 -13.4229 -11.7068 -11.7068 -11.7017 -11.7017 -10.2175 -10.2175 -4.7819 -4.7819 -4.3682 -4.3682 -4.2087 -4.2087 -2.2583 -2.2583 -2.1998 -2.1998 -2.1395 -2.1395 -1.9419 -1.9419 -1.9243 -1.9243 -1.5528 -1.5528 -1.4399 -1.4399 -1.4338 -1.4338 -0.9973 -0.9973 -0.9597 -0.9597 -0.8826 -0.8826 -0.6856 -0.6856 -0.6256 -0.6256 -0.5648 -0.5648 -0.2349 -0.2349 -0.1568 -0.1568 -0.0890 -0.0890 0.0776 0.0776 0.0882 0.0882 0.0905 0.0905 0.1110 0.1110 2.6518 2.6518 3.4604 3.4604 k = 0.3519 0.2031 0.1436 ( 9375 PWs) bands (ev): -14.9526 -14.9526 -13.8449 -13.8449 -13.6738 -13.6738 -13.6593 -13.6593 -13.4273 -13.4273 -13.4271 -13.4271 -11.7071 -11.7071 -11.7015 -11.7015 -10.2097 -10.2097 -4.7903 -4.7903 -4.3569 -4.3569 -4.1921 -4.1921 -2.2550 -2.2550 -2.1935 -2.1935 -2.1171 -2.1171 -1.9424 -1.9424 -1.9252 -1.9252 -1.5696 -1.5696 -1.4732 -1.4732 -1.4642 -1.4642 -0.9845 -0.9845 -0.9453 -0.9453 -0.8691 -0.8691 -0.7033 -0.7033 -0.6445 -0.6445 -0.5804 -0.5804 -0.2086 -0.2086 -0.1722 -0.1722 -0.0987 -0.0987 0.0759 0.0759 0.0862 0.0862 0.0894 0.0894 0.1087 0.1087 2.6382 2.6382 3.4798 3.4798 k = 0.3704 0.2138 0.1512 ( 9366 PWs) bands (ev): -14.9486 -14.9486 -13.8523 -13.8523 -13.6705 -13.6705 -13.6558 -13.6558 -13.4313 -13.4313 -13.4310 -13.4310 -11.7074 -11.7074 -11.7014 -11.7014 -10.2026 -10.2026 -4.7983 -4.7983 -4.3459 -4.3459 -4.1766 -4.1766 -2.2551 -2.2551 -2.1924 -2.1924 -2.0944 -2.0944 -1.9358 -1.9358 -1.9202 -1.9202 -1.5866 -1.5866 -1.5068 -1.5068 -1.4945 -1.4945 -0.9712 -0.9712 -0.9305 -0.9305 -0.8553 -0.8553 -0.7210 -0.7210 -0.6632 -0.6632 -0.5960 -0.5960 -0.1988 -0.1988 -0.1783 -0.1783 -0.1016 -0.1016 0.0745 0.0745 0.0842 0.0842 0.0884 0.0884 0.1064 0.1064 2.6249 2.6249 3.4981 3.4981 k = 0.3889 0.2245 0.1588 ( 9345 PWs) bands (ev): -14.9450 -14.9450 -13.8590 -13.8590 -13.6674 -13.6674 -13.6526 -13.6526 -13.4349 -13.4349 -13.4347 -13.4347 -11.7076 -11.7076 -11.7013 -11.7013 -10.1962 -10.1962 -4.8057 -4.8057 -4.3357 -4.3357 -4.1624 -4.1624 -2.2579 -2.2579 -2.1955 -2.1955 -2.0720 -2.0720 -1.9231 -1.9231 -1.9095 -1.9095 -1.6042 -1.6042 -1.5407 -1.5407 -1.5242 -1.5242 -0.9574 -0.9574 -0.9155 -0.9155 -0.8413 -0.8413 -0.7384 -0.7384 -0.6816 -0.6816 -0.6115 -0.6115 -0.2076 -0.2076 -0.1759 -0.1759 -0.0947 -0.0947 0.0733 0.0733 0.0824 0.0824 0.0877 0.0877 0.1043 0.1043 2.6122 2.6122 3.5150 3.5150 k = 0.4074 0.2352 0.1663 ( 9363 PWs) bands (ev): -14.9418 -14.9418 -13.8648 -13.8648 -13.6646 -13.6646 -13.6498 -13.6498 -13.4381 -13.4381 -13.4379 -13.4379 -11.7078 -11.7078 -11.7012 -11.7012 -10.1907 -10.1907 -4.8122 -4.8122 -4.3265 -4.3265 -4.1499 -4.1499 -2.2625 -2.2625 -2.2011 -2.2011 -2.0506 -2.0506 -1.9055 -1.9055 -1.8941 -1.8941 -1.6227 -1.6227 -1.5743 -1.5743 -1.5522 -1.5522 -0.9434 -0.9434 -0.9004 -0.9004 -0.8274 -0.8274 -0.7555 -0.7555 -0.6996 -0.6996 -0.6268 -0.6268 -0.2181 -0.2181 -0.1787 -0.1787 -0.0809 -0.0809 0.0723 0.0723 0.0808 0.0808 0.0871 0.0871 0.1024 0.1024 2.6006 2.6006 3.5299 3.5299 k = 0.4259 0.2459 0.1739 ( 9369 PWs) bands (ev): -14.9391 -14.9391 -13.8697 -13.8697 -13.6622 -13.6622 -13.6473 -13.6473 -13.4409 -13.4409 -13.4407 -13.4407 -11.7080 -11.7080 -11.7011 -11.7011 -10.1860 -10.1860 -4.8178 -4.8178 -4.3186 -4.3186 -4.1392 -4.1392 -2.2679 -2.2679 -2.2077 -2.2077 -2.0310 -2.0310 -1.8848 -1.8848 -1.8749 -1.8749 -1.6426 -1.6426 -1.6074 -1.6074 -1.5770 -1.5770 -0.9295 -0.9295 -0.8855 -0.8855 -0.8139 -0.8139 -0.7719 -0.7719 -0.7169 -0.7169 -0.6414 -0.6414 -0.2272 -0.2272 -0.1844 -0.1844 -0.0658 -0.0658 0.0715 0.0715 0.0794 0.0794 0.0867 0.0867 0.1007 0.1007 2.5906 2.5906 3.5425 3.5425 k = 0.4444 0.2566 0.1814 ( 9363 PWs) bands (ev): -14.9370 -14.9370 -13.8735 -13.8735 -13.6603 -13.6603 -13.6453 -13.6453 -13.4431 -13.4431 -13.4430 -13.4430 -11.7081 -11.7081 -11.7011 -11.7011 -10.1823 -10.1823 -4.8223 -4.8223 -4.3122 -4.3122 -4.1306 -4.1306 -2.2732 -2.2732 -2.2140 -2.2140 -2.0142 -2.0142 -1.8623 -1.8623 -1.8533 -1.8533 -1.6641 -1.6641 -1.6392 -1.6392 -1.5972 -1.5972 -0.9160 -0.9160 -0.8713 -0.8713 -0.8014 -0.8014 -0.7872 -0.7872 -0.7330 -0.7330 -0.6549 -0.6549 -0.2344 -0.2344 -0.1904 -0.1904 -0.0525 -0.0525 0.0710 0.0710 0.0783 0.0783 0.0865 0.0865 0.0993 0.0993 2.5824 2.5824 3.5527 3.5527 k = 0.4630 0.2673 0.1890 ( 9375 PWs) bands (ev): -14.9354 -14.9354 -13.8763 -13.8763 -13.6588 -13.6588 -13.6438 -13.6438 -13.4447 -13.4447 -13.4447 -13.4447 -11.7082 -11.7082 -11.7010 -11.7010 -10.1797 -10.1797 -4.8256 -4.8256 -4.3074 -4.3074 -4.1243 -4.1243 -2.2775 -2.2775 -2.2190 -2.2190 -2.0011 -2.0011 -1.8401 -1.8401 -1.8311 -1.8311 -1.6859 -1.6859 -1.6683 -1.6683 -1.6118 -1.6118 -0.9038 -0.9038 -0.8585 -0.8585 -0.8011 -0.8011 -0.7903 -0.7903 -0.7471 -0.7471 -0.6663 -0.6663 -0.2395 -0.2395 -0.1954 -0.1954 -0.0424 -0.0424 0.0707 0.0707 0.0775 0.0775 0.0864 0.0864 0.0982 0.0982 2.5763 2.5763 3.5601 3.5601 k = 0.4815 0.2780 0.1966 ( 9375 PWs) bands (ev): -14.9345 -14.9345 -13.8781 -13.8781 -13.6579 -13.6579 -13.6429 -13.6429 -13.4457 -13.4457 -13.4457 -13.4457 -11.7083 -11.7083 -11.7010 -11.7010 -10.1781 -10.1781 -4.8276 -4.8276 -4.3045 -4.3045 -4.1205 -4.1205 -2.2803 -2.2803 -2.2223 -2.2223 -1.9928 -1.9928 -1.8217 -1.8217 -1.8120 -1.8120 -1.7043 -1.7043 -1.6914 -1.6914 -1.6206 -1.6206 -0.8946 -0.8946 -0.8490 -0.8490 -0.8110 -0.8110 -0.7828 -0.7828 -0.7574 -0.7574 -0.6744 -0.6744 -0.2426 -0.2426 -0.1986 -0.1986 -0.0362 -0.0362 0.0706 0.0706 0.0769 0.0769 0.0864 0.0864 0.0976 0.0976 2.5726 2.5726 3.5646 3.5646 k = 0.5000 0.2887 0.2041 ( 9390 PWs) bands (ev): -14.9342 -14.9342 -13.8786 -13.8786 -13.6577 -13.6577 -13.6426 -13.6426 -13.4461 -13.4461 -13.4460 -13.4460 -11.7083 -11.7083 -11.7010 -11.7010 -10.1775 -10.1775 -4.8283 -4.8283 -4.3036 -4.3036 -4.1192 -4.1192 -2.2812 -2.2812 -2.2234 -2.2234 -1.9900 -1.9900 -1.8138 -1.8138 -1.8036 -1.8036 -1.7123 -1.7123 -1.7012 -1.7012 -1.6235 -1.6235 -0.8910 -0.8910 -0.8452 -0.8452 -0.8149 -0.8149 -0.7799 -0.7799 -0.7614 -0.7614 -0.6773 -0.6773 -0.2436 -0.2436 -0.1997 -0.1997 -0.0341 -0.0341 0.0705 0.0705 0.0767 0.0767 0.0864 0.0864 0.0973 0.0973 2.5714 2.5714 3.5661 3.5661 k = 0.5000 0.2887 0.2041 ( 9390 PWs) bands (ev): -14.9342 -14.9342 -13.8786 -13.8786 -13.6577 -13.6577 -13.6426 -13.6426 -13.4461 -13.4461 -13.4460 -13.4460 -11.7083 -11.7083 -11.7010 -11.7010 -10.1775 -10.1775 -4.8283 -4.8283 -4.3036 -4.3036 -4.1192 -4.1192 -2.2812 -2.2812 -2.2234 -2.2234 -1.9900 -1.9900 -1.8138 -1.8138 -1.8036 -1.8036 -1.7123 -1.7123 -1.7012 -1.7012 -1.6235 -1.6235 -0.8910 -0.8910 -0.8452 -0.8452 -0.8149 -0.8149 -0.7799 -0.7799 -0.7614 -0.7614 -0.6773 -0.6773 -0.2436 -0.2436 -0.1997 -0.1997 -0.0341 -0.0341 0.0705 0.0705 0.0767 0.0767 0.0864 0.0864 0.0973 0.0973 2.5714 2.5714 3.5661 3.5661 k = 0.5066 0.2697 0.2149 ( 9382 PWs) bands (ev): -14.9340 -14.9340 -13.8783 -13.8783 -13.6580 -13.6580 -13.6429 -13.6429 -13.4462 -13.4462 -13.4459 -13.4459 -11.7083 -11.7083 -11.7010 -11.7010 -10.1773 -10.1773 -4.8273 -4.8273 -4.3039 -4.3039 -4.1197 -4.1197 -2.2808 -2.2808 -2.2231 -2.2231 -1.9899 -1.9899 -1.8165 -1.8165 -1.8062 -1.8062 -1.7093 -1.7093 -1.6983 -1.6983 -1.6218 -1.6218 -0.8926 -0.8926 -0.8469 -0.8469 -0.8177 -0.8177 -0.7823 -0.7823 -0.7595 -0.7595 -0.6775 -0.6775 -0.2431 -0.2431 -0.1989 -0.1989 -0.0326 -0.0326 0.0698 0.0698 0.0758 0.0758 0.0864 0.0864 0.0971 0.0971 2.5740 2.5740 3.5659 3.5659 k = 0.5132 0.2507 0.2256 ( 9383 PWs) bands (ev): -14.9337 -14.9337 -13.8774 -13.8774 -13.6589 -13.6589 -13.6439 -13.6439 -13.4468 -13.4468 -13.4453 -13.4453 -11.7082 -11.7082 -11.7010 -11.7010 -10.1764 -10.1764 -4.8244 -4.8244 -4.3048 -4.3048 -4.1211 -4.1211 -2.2797 -2.2797 -2.2220 -2.2220 -1.9895 -1.9895 -1.8248 -1.8248 -1.8119 -1.8119 -1.7017 -1.7017 -1.6902 -1.6902 -1.6164 -1.6164 -0.8975 -0.8975 -0.8517 -0.8517 -0.8251 -0.8251 -0.7889 -0.7889 -0.7551 -0.7551 -0.6781 -0.6781 -0.2417 -0.2417 -0.1965 -0.1965 -0.0282 -0.0282 0.0677 0.0677 0.0733 0.0733 0.0862 0.0862 0.0963 0.0963 2.5818 2.5818 3.5656 3.5656 k = 0.5197 0.2317 0.2364 ( 9379 PWs) bands (ev): -14.9330 -14.9330 -13.8758 -13.8758 -13.6606 -13.6606 -13.6454 -13.6454 -13.4477 -13.4477 -13.4443 -13.4443 -11.7081 -11.7081 -11.7011 -11.7011 -10.1751 -10.1751 -4.8197 -4.8197 -4.3063 -4.3063 -4.1234 -4.1234 -2.2781 -2.2781 -2.2200 -2.2200 -1.9890 -1.9890 -1.8373 -1.8373 -1.8184 -1.8184 -1.6919 -1.6919 -1.6780 -1.6780 -1.6075 -1.6075 -0.9060 -0.9060 -0.8595 -0.8595 -0.8354 -0.8354 -0.7993 -0.7993 -0.7497 -0.7497 -0.6789 -0.6789 -0.2393 -0.2393 -0.1927 -0.1927 -0.0212 -0.0212 0.0638 0.0638 0.0699 0.0699 0.0854 0.0854 0.0953 0.0953 2.5945 2.5945 3.5650 3.5650 k = 0.5263 0.2127 0.2471 ( 9389 PWs) bands (ev): -14.9321 -14.9321 -13.8736 -13.8736 -13.6630 -13.6630 -13.6474 -13.6474 -13.4489 -13.4489 -13.4430 -13.4430 -11.7080 -11.7080 -11.7012 -11.7012 -10.1733 -10.1733 -4.8131 -4.8131 -4.3084 -4.3084 -4.1267 -4.1267 -2.2765 -2.2765 -2.2169 -2.2169 -1.9885 -1.9885 -1.8517 -1.8517 -1.8251 -1.8251 -1.6811 -1.6811 -1.6632 -1.6632 -1.5953 -1.5953 -0.9185 -0.9185 -0.8708 -0.8708 -0.8469 -0.8469 -0.8128 -0.8128 -0.7445 -0.7445 -0.6795 -0.6795 -0.2360 -0.2360 -0.1877 -0.1877 -0.0122 -0.0122 0.0582 0.0582 0.0664 0.0664 0.0833 0.0833 0.0944 0.0944 2.6118 2.6118 3.5643 3.5643 k = 0.5329 0.1937 0.2578 ( 9384 PWs) bands (ev): -14.9310 -14.9310 -13.8708 -13.8708 -13.6661 -13.6661 -13.6498 -13.6498 -13.4505 -13.4505 -13.4413 -13.4413 -11.7078 -11.7078 -11.7014 -11.7014 -10.1710 -10.1710 -4.8049 -4.8049 -4.3111 -4.3111 -4.1307 -4.1307 -2.2754 -2.2754 -2.2123 -2.2123 -1.9880 -1.9880 -1.8664 -1.8664 -1.8315 -1.8315 -1.6696 -1.6696 -1.6468 -1.6468 -1.5800 -1.5800 -0.9351 -0.9351 -0.8859 -0.8859 -0.8591 -0.8591 -0.8282 -0.8282 -0.7406 -0.7406 -0.6794 -0.6794 -0.2319 -0.2319 -0.1816 -0.1816 -0.0024 -0.0024 0.0513 0.0513 0.0629 0.0629 0.0797 0.0797 0.0939 0.0939 2.6333 2.6333 3.5635 3.5635 k = 0.5395 0.1747 0.2686 ( 9381 PWs) bands (ev): -14.9297 -14.9297 -13.8675 -13.8675 -13.6699 -13.6699 -13.6524 -13.6524 -13.4525 -13.4525 -13.4393 -13.4393 -11.7076 -11.7076 -11.7016 -11.7016 -10.1684 -10.1684 -4.7950 -4.7950 -4.3141 -4.3141 -4.1354 -4.1354 -2.2756 -2.2756 -2.2059 -2.2059 -1.9880 -1.9880 -1.8801 -1.8801 -1.8372 -1.8372 -1.6577 -1.6577 -1.6292 -1.6292 -1.5624 -1.5624 -0.9555 -0.9555 -0.9047 -0.9047 -0.8735 -0.8735 -0.8431 -0.8431 -0.7386 -0.7386 -0.6779 -0.6779 -0.2270 -0.2270 -0.1747 -0.1747 0.0062 0.0062 0.0446 0.0446 0.0600 0.0600 0.0753 0.0753 0.0937 0.0937 2.6583 2.6583 3.5627 3.5627 k = 0.5461 0.1557 0.2793 ( 9373 PWs) bands (ev): -14.9282 -14.9282 -13.8635 -13.8635 -13.6745 -13.6745 -13.6552 -13.6552 -13.4549 -13.4549 -13.4370 -13.4370 -11.7073 -11.7073 -11.7017 -11.7017 -10.1653 -10.1653 -4.7838 -4.7838 -4.3176 -4.3176 -4.1408 -4.1408 -2.2776 -2.2776 -2.1974 -2.1974 -1.9890 -1.9890 -1.8919 -1.8919 -1.8420 -1.8420 -1.6452 -1.6452 -1.6105 -1.6105 -1.5429 -1.5429 -0.9792 -0.9792 -0.9265 -0.9265 -0.8922 -0.8922 -0.8551 -0.8551 -0.7394 -0.7394 -0.6743 -0.6743 -0.2214 -0.2214 -0.1671 -0.1671 0.0093 0.0093 0.0394 0.0394 0.0585 0.0585 0.0716 0.0716 0.0935 0.0935 2.6863 2.6863 3.5620 3.5620 k = 0.5526 0.1367 0.2901 ( 9377 PWs) bands (ev): -14.9266 -14.9266 -13.8591 -13.8591 -13.6797 -13.6797 -13.6581 -13.6581 -13.4577 -13.4577 -13.4345 -13.4345 -11.7071 -11.7071 -11.7019 -11.7019 -10.1620 -10.1620 -4.7714 -4.7714 -4.3212 -4.3212 -4.1467 -4.1467 -2.2817 -2.2817 -2.1868 -2.1868 -1.9915 -1.9915 -1.9005 -1.9005 -1.8456 -1.8456 -1.6321 -1.6321 -1.5910 -1.5910 -1.5220 -1.5220 -1.0057 -1.0057 -0.9508 -0.9508 -0.9152 -0.9152 -0.8642 -0.8642 -0.7431 -0.7431 -0.6687 -0.6687 -0.2153 -0.2153 -0.1591 -0.1591 0.0048 0.0048 0.0347 0.0347 0.0572 0.0572 0.0734 0.0734 0.0934 0.0934 2.7164 2.7164 3.5617 3.5617 k = 0.5592 0.1177 0.3008 ( 9377 PWs) bands (ev): -14.9249 -14.9249 -13.8541 -13.8541 -13.6854 -13.6854 -13.6610 -13.6610 -13.4608 -13.4608 -13.4318 -13.4318 -11.7068 -11.7068 -11.7021 -11.7021 -10.1585 -10.1585 -4.7581 -4.7581 -4.3250 -4.3250 -4.1531 -4.1531 -2.2882 -2.2882 -2.1743 -2.1743 -1.9961 -1.9961 -1.9054 -1.9054 -1.8479 -1.8479 -1.6183 -1.6183 -1.5708 -1.5708 -1.5002 -1.5002 -1.0345 -1.0345 -0.9772 -0.9772 -0.9407 -0.9407 -0.8716 -0.8716 -0.7493 -0.7493 -0.6613 -0.6613 -0.2087 -0.2087 -0.1508 -0.1508 -0.0044 -0.0044 0.0280 0.0280 0.0532 0.0532 0.0819 0.0819 0.0945 0.0945 2.7479 2.7479 3.5619 3.5619 k = 0.5658 0.0988 0.3116 ( 9379 PWs) bands (ev): -14.9231 -14.9231 -13.8487 -13.8487 -13.6915 -13.6915 -13.6641 -13.6641 -13.4643 -13.4643 -13.4289 -13.4289 -11.7066 -11.7066 -11.7023 -11.7023 -10.1548 -10.1548 -4.7441 -4.7441 -4.3286 -4.3286 -4.1598 -4.1598 -2.2972 -2.2972 -2.1602 -2.1602 -2.0027 -2.0027 -1.9061 -1.9061 -1.8487 -1.8487 -1.6038 -1.6038 -1.5500 -1.5500 -1.4777 -1.4777 -1.0652 -1.0652 -1.0055 -1.0055 -0.9675 -0.9675 -0.8783 -0.8783 -0.7576 -0.7576 -0.6525 -0.6525 -0.2018 -0.2018 -0.1425 -0.1425 -0.0156 -0.0156 0.0193 0.0193 0.0483 0.0483 0.0876 0.0876 0.1020 0.1020 2.7798 2.7798 3.5627 3.5627 k = 0.5724 0.0798 0.3223 ( 9381 PWs) bands (ev): -14.9212 -14.9212 -13.8429 -13.8429 -13.6978 -13.6978 -13.6672 -13.6672 -13.4682 -13.4682 -13.4258 -13.4258 -11.7064 -11.7064 -11.7025 -11.7025 -10.1511 -10.1511 -4.7297 -4.7297 -4.3320 -4.3320 -4.1668 -4.1668 -2.3086 -2.3086 -2.1447 -2.1447 -2.0107 -2.0107 -1.9033 -1.9033 -1.8478 -1.8478 -1.5886 -1.5886 -1.5287 -1.5287 -1.4547 -1.4547 -1.0973 -1.0973 -1.0354 -1.0354 -0.9946 -0.9946 -0.8845 -0.8845 -0.7675 -0.7675 -0.6428 -0.6428 -0.1948 -0.1948 -0.1344 -0.1344 -0.0273 -0.0273 0.0094 0.0094 0.0434 0.0434 0.0880 0.0880 0.1155 0.1155 2.8114 2.8114 3.5645 3.5645 k = 0.5789 0.0608 0.3330 ( 9375 PWs) bands (ev): -14.9194 -14.9194 -13.8367 -13.8367 -13.7042 -13.7042 -13.6703 -13.6703 -13.4724 -13.4724 -13.4226 -13.4226 -11.7062 -11.7062 -11.7026 -11.7026 -10.1473 -10.1473 -4.7155 -4.7155 -4.3348 -4.3348 -4.1738 -4.1738 -2.3223 -2.3223 -2.1284 -2.1284 -2.0191 -2.0191 -1.8977 -1.8977 -1.8452 -1.8452 -1.5727 -1.5727 -1.5071 -1.5071 -1.4314 -1.4314 -1.1305 -1.1305 -1.0667 -1.0667 -1.0213 -1.0213 -0.8906 -0.8906 -0.7788 -0.7788 -0.6323 -0.6323 -0.1880 -0.1880 -0.1268 -0.1268 -0.0389 -0.0389 -0.0012 -0.0012 0.0388 0.0388 0.0872 0.0872 0.1301 0.1301 2.8417 2.8417 3.5674 3.5674 k = 0.5855 0.0418 0.3438 ( 9377 PWs) bands (ev): -14.9176 -14.9176 -13.8302 -13.8302 -13.7105 -13.7105 -13.6735 -13.6735 -13.4769 -13.4769 -13.4194 -13.4194 -11.7061 -11.7061 -11.7027 -11.7027 -10.1437 -10.1437 -4.7016 -4.7016 -4.3369 -4.3369 -4.1810 -4.1810 -2.3380 -2.3380 -2.1120 -2.1120 -2.0269 -2.0269 -1.8899 -1.8899 -1.8407 -1.8407 -1.5564 -1.5564 -1.4854 -1.4854 -1.4079 -1.4079 -1.1643 -1.1643 -1.0991 -1.0991 -1.0469 -1.0469 -0.8966 -0.8966 -0.7913 -0.7913 -0.6214 -0.6214 -0.1815 -0.1815 -0.1202 -0.1202 -0.0494 -0.0494 -0.0117 -0.0117 0.0344 0.0344 0.0860 0.0860 0.1442 0.1442 2.8701 2.8701 3.5715 3.5715 k = 0.5921 0.0228 0.3545 ( 9379 PWs) bands (ev): -14.9158 -14.9158 -13.8236 -13.8236 -13.7165 -13.7165 -13.6766 -13.6766 -13.4816 -13.4816 -13.4160 -13.4160 -11.7061 -11.7061 -11.7027 -11.7027 -10.1403 -10.1403 -4.6886 -4.6886 -4.3381 -4.3381 -4.1880 -4.1880 -2.3555 -2.3555 -2.0970 -2.0970 -2.0326 -2.0326 -1.8804 -1.8804 -1.8343 -1.8343 -1.5400 -1.5400 -1.4638 -1.4638 -1.3845 -1.3845 -1.1982 -1.1982 -1.1322 -1.1322 -1.0711 -1.0711 -0.9025 -0.9025 -0.8046 -0.8046 -0.6101 -0.6101 -0.1758 -0.1758 -0.1158 -0.1158 -0.0576 -0.0576 -0.0218 -0.0218 0.0303 0.0303 0.0846 0.0846 0.1573 0.1573 2.8957 2.8957 3.5768 3.5768 k = 0.5987 0.0038 0.3653 ( 9370 PWs) bands (ev): -14.9143 -14.9143 -13.8170 -13.8170 -13.7220 -13.7220 -13.6797 -13.6797 -13.4865 -13.4865 -13.4127 -13.4127 -11.7061 -11.7061 -11.7026 -11.7026 -10.1371 -10.1371 -4.6767 -4.6767 -4.3381 -4.3381 -4.1949 -4.1949 -2.3742 -2.3742 -2.0865 -2.0865 -2.0333 -2.0333 -1.8697 -1.8697 -1.8259 -1.8259 -1.5242 -1.5242 -1.4430 -1.4430 -1.3614 -1.3614 -1.2311 -1.2311 -1.1653 -1.1653 -1.0934 -1.0934 -0.9086 -0.9086 -0.8186 -0.8186 -0.5985 -0.5985 -0.1714 -0.1714 -0.1147 -0.1147 -0.0618 -0.0618 -0.0306 -0.0306 0.0266 0.0266 0.0830 0.0830 0.1690 0.1690 2.9182 2.9182 3.5832 3.5832 k = 0.6053-0.0152 0.3760 ( 9374 PWs) bands (ev): -14.9129 -14.9129 -13.8105 -13.8105 -13.7269 -13.7269 -13.6828 -13.6828 -13.4916 -13.4916 -13.4093 -13.4093 -11.7063 -11.7063 -11.7024 -11.7024 -10.1343 -10.1343 -4.6664 -4.6664 -4.3371 -4.3371 -4.2014 -4.2014 -2.3937 -2.3937 -2.0837 -2.0837 -2.0259 -2.0259 -1.8579 -1.8579 -1.8157 -1.8157 -1.5098 -1.5098 -1.4238 -1.4238 -1.3394 -1.3394 -1.2612 -1.2612 -1.1975 -1.1975 -1.1135 -1.1135 -0.9147 -0.9147 -0.8332 -0.8332 -0.5867 -0.5867 -0.1688 -0.1688 -0.1176 -0.1176 -0.0614 -0.0614 -0.0376 -0.0376 0.0233 0.0233 0.0813 0.0813 0.1788 0.1788 2.9371 2.9371 3.5903 3.5903 k = 0.6118-0.0342 0.3868 ( 9367 PWs) bands (ev): -14.9118 -14.9118 -13.8044 -13.8044 -13.7308 -13.7308 -13.6858 -13.6858 -13.4968 -13.4968 -13.4060 -13.4060 -11.7065 -11.7065 -11.7022 -11.7022 -10.1320 -10.1320 -4.6578 -4.6578 -4.3352 -4.3352 -4.2074 -4.2074 -2.4133 -2.4133 -2.0874 -2.0874 -2.0121 -2.0121 -1.8454 -1.8454 -1.8036 -1.8036 -1.4986 -1.4986 -1.4080 -1.4080 -1.3225 -1.3225 -1.2828 -1.2828 -1.2266 -1.2266 -1.1310 -1.1310 -0.9210 -0.9210 -0.8481 -0.8481 -0.5749 -0.5749 -0.1685 -0.1685 -0.1231 -0.1231 -0.0575 -0.0575 -0.0422 -0.0422 0.0203 0.0203 0.0796 0.0796 0.1867 0.1867 2.9523 2.9523 3.5976 3.5976 k = 0.6184-0.0532 0.3975 ( 9362 PWs) bands (ev): -14.9109 -14.9109 -13.7989 -13.7989 -13.7336 -13.7336 -13.6888 -13.6888 -13.5021 -13.5021 -13.4027 -13.4027 -11.7067 -11.7067 -11.7020 -11.7020 -10.1302 -10.1302 -4.6510 -4.6510 -4.3326 -4.3326 -4.2126 -4.2126 -2.4325 -2.4325 -2.0944 -2.0944 -1.9955 -1.9955 -1.8322 -1.8322 -1.7897 -1.7897 -1.4934 -1.4934 -1.3991 -1.3991 -1.3242 -1.3242 -1.2803 -1.2803 -1.2486 -1.2486 -1.1456 -1.1456 -0.9275 -0.9275 -0.8631 -0.8631 -0.5630 -0.5630 -0.1707 -0.1707 -0.1293 -0.1293 -0.0518 -0.0518 -0.0439 -0.0439 0.0179 0.0179 0.0779 0.0779 0.1922 0.1922 2.9639 2.9639 3.6043 3.6043 k = 0.6250-0.0722 0.4082 ( 9350 PWs) bands (ev): -14.9103 -14.9103 -13.7944 -13.7944 -13.7348 -13.7348 -13.6916 -13.6916 -13.5072 -13.5072 -13.3994 -13.3994 -11.7069 -11.7069 -11.7018 -11.7018 -10.1289 -10.1289 -4.6460 -4.6460 -4.3299 -4.3299 -4.2169 -4.2169 -2.4505 -2.4505 -2.1029 -2.1029 -1.9784 -1.9784 -1.8188 -1.8188 -1.7743 -1.7743 -1.4975 -1.4975 -1.4010 -1.4010 -1.3340 -1.3340 -1.2656 -1.2656 -1.2547 -1.2547 -1.1566 -1.1566 -0.9343 -0.9343 -0.8781 -0.8781 -0.5513 -0.5513 -0.1748 -0.1748 -0.1353 -0.1353 -0.0466 -0.0466 -0.0415 -0.0415 0.0159 0.0159 0.0761 0.0761 0.1952 0.1952 2.9721 2.9721 3.6097 3.6097 k = 0.6250-0.0722 0.4082 ( 9350 PWs) bands (ev): -14.9103 -14.9103 -13.7944 -13.7944 -13.7348 -13.7348 -13.6916 -13.6916 -13.5072 -13.5072 -13.3994 -13.3994 -11.7069 -11.7069 -11.7018 -11.7018 -10.1289 -10.1289 -4.6460 -4.6460 -4.3299 -4.3299 -4.2169 -4.2169 -2.4505 -2.4505 -2.1029 -2.1029 -1.9784 -1.9784 -1.8188 -1.8188 -1.7743 -1.7743 -1.4975 -1.4975 -1.4010 -1.4010 -1.3340 -1.3340 -1.2656 -1.2656 -1.2547 -1.2547 -1.1566 -1.1566 -0.9343 -0.9343 -0.8781 -0.8781 -0.5513 -0.5513 -0.1748 -0.1748 -0.1353 -0.1353 -0.0466 -0.0466 -0.0415 -0.0415 0.0159 0.0159 0.0761 0.0761 0.1952 0.1952 2.9721 2.9721 3.6097 3.6097 k = 0.6136-0.0656 0.4268 ( 9359 PWs) bands (ev): -14.9103 -14.9103 -13.7941 -13.7941 -13.7347 -13.7347 -13.6922 -13.6922 -13.5066 -13.5066 -13.3997 -13.3997 -11.7069 -11.7069 -11.7018 -11.7018 -10.1288 -10.1288 -4.6456 -4.6456 -4.3298 -4.3298 -4.2175 -4.2175 -2.4493 -2.4493 -2.1023 -2.1023 -1.9794 -1.9794 -1.8263 -1.8263 -1.7662 -1.7662 -1.4996 -1.4996 -1.3982 -1.3982 -1.3371 -1.3371 -1.2652 -1.2652 -1.2519 -1.2519 -1.1585 -1.1585 -0.9366 -0.9366 -0.8757 -0.8757 -0.5527 -0.5527 -0.1743 -0.1743 -0.1349 -0.1349 -0.0469 -0.0469 -0.0417 -0.0417 0.0160 0.0160 0.0754 0.0754 0.1958 0.1958 2.9729 2.9729 3.6100 3.6100 k = 0.6023-0.0590 0.4454 ( 9372 PWs) bands (ev): -14.9102 -14.9102 -13.7934 -13.7934 -13.7347 -13.7347 -13.6940 -13.6940 -13.5051 -13.5051 -13.4006 -13.4006 -11.7068 -11.7068 -11.7019 -11.7019 -10.1286 -10.1286 -4.6444 -4.6444 -4.3295 -4.3295 -4.2194 -4.2194 -2.4456 -2.4456 -2.1003 -2.1003 -1.9824 -1.9824 -1.8415 -1.8415 -1.7495 -1.7495 -1.5051 -1.5051 -1.3910 -1.3910 -1.3452 -1.3452 -1.2638 -1.2638 -1.2446 -1.2446 -1.1639 -1.1639 -0.9434 -0.9434 -0.8686 -0.8686 -0.5569 -0.5569 -0.1726 -0.1726 -0.1339 -0.1339 -0.0478 -0.0478 -0.0421 -0.0421 0.0165 0.0165 0.0731 0.0731 0.1974 0.1974 2.9753 2.9753 3.6112 3.6112 k = 0.5909-0.0525 0.4639 ( 9368 PWs) bands (ev): -14.9100 -14.9100 -13.7922 -13.7922 -13.7346 -13.7346 -13.6969 -13.6969 -13.5026 -13.5026 -13.4019 -13.4019 -11.7066 -11.7066 -11.7020 -11.7020 -10.1283 -10.1283 -4.6426 -4.6426 -4.3289 -4.3289 -4.2223 -4.2223 -2.4396 -2.4396 -2.0971 -2.0971 -1.9873 -1.9873 -1.8586 -1.8586 -1.7298 -1.7298 -1.5122 -1.5122 -1.3833 -1.3833 -1.3542 -1.3542 -1.2615 -1.2615 -1.2348 -1.2348 -1.1719 -1.1719 -0.9550 -0.9550 -0.8570 -0.8570 -0.5638 -0.5638 -0.1700 -0.1700 -0.1321 -0.1321 -0.0498 -0.0498 -0.0423 -0.0423 0.0173 0.0173 0.0695 0.0695 0.2000 0.2000 2.9791 2.9791 3.6131 3.6131 k = 0.5795-0.0459 0.4825 ( 9374 PWs) bands (ev): -14.9097 -14.9097 -13.7905 -13.7905 -13.7345 -13.7345 -13.7007 -13.7007 -13.4994 -13.4994 -13.4037 -13.4037 -11.7065 -11.7065 -11.7022 -11.7022 -10.1278 -10.1278 -4.6402 -4.6402 -4.3281 -4.3281 -4.2262 -4.2262 -2.4317 -2.4317 -2.0928 -2.0928 -1.9937 -1.9937 -1.8761 -1.8761 -1.7089 -1.7089 -1.5194 -1.5194 -1.3856 -1.3856 -1.3538 -1.3538 -1.2581 -1.2581 -1.2240 -1.2240 -1.1814 -1.1814 -0.9712 -0.9712 -0.8419 -0.8419 -0.5734 -0.5734 -0.1665 -0.1665 -0.1296 -0.1296 -0.0531 -0.0531 -0.0423 -0.0423 0.0182 0.0182 0.0648 0.0648 0.2033 0.2033 2.9839 2.9839 3.6158 3.6158 k = 0.5682-0.0394 0.5010 ( 9385 PWs) bands (ev): -14.9093 -14.9093 -13.7885 -13.7885 -13.7344 -13.7344 -13.7050 -13.7050 -13.4956 -13.4956 -13.4060 -13.4060 -11.7062 -11.7062 -11.7024 -11.7024 -10.1272 -10.1272 -4.6374 -4.6374 -4.3269 -4.3269 -4.2308 -4.2308 -2.4222 -2.4222 -2.0876 -2.0876 -2.0012 -2.0012 -1.8935 -1.8935 -1.6872 -1.6872 -1.5258 -1.5258 -1.3999 -1.3999 -1.3423 -1.3423 -1.2540 -1.2540 -1.2133 -1.2133 -1.1908 -1.1908 -0.9915 -0.9915 -0.8242 -0.8242 -0.5853 -0.5853 -0.1624 -0.1624 -0.1264 -0.1264 -0.0573 -0.0573 -0.0421 -0.0421 0.0195 0.0195 0.0593 0.0593 0.2070 0.2070 2.9894 2.9894 3.6193 3.6193 k = 0.5568-0.0328 0.5196 ( 9379 PWs) bands (ev): -14.9090 -14.9090 -13.7861 -13.7861 -13.7344 -13.7344 -13.7097 -13.7097 -13.4916 -13.4916 -13.4085 -13.4085 -11.7060 -11.7060 -11.7026 -11.7026 -10.1266 -10.1266 -4.6344 -4.6344 -4.3254 -4.3254 -4.2359 -4.2359 -2.4117 -2.4117 -2.0821 -2.0821 -2.0087 -2.0087 -1.9107 -1.9107 -1.6650 -1.6650 -1.5306 -1.5306 -1.4185 -1.4185 -1.3275 -1.3275 -1.2494 -1.2494 -1.2077 -1.2077 -1.1945 -1.1945 -1.0153 -1.0153 -0.8045 -0.8045 -0.5995 -0.5995 -0.1579 -0.1579 -0.1226 -0.1226 -0.0623 -0.0623 -0.0420 -0.0420 0.0209 0.0209 0.0534 0.0534 0.2110 0.2110 2.9952 2.9952 3.6237 3.6237 k = 0.5455-0.0262 0.5381 ( 9384 PWs) bands (ev): -14.9086 -14.9086 -13.7836 -13.7836 -13.7345 -13.7345 -13.7143 -13.7143 -13.4876 -13.4876 -13.4111 -13.4111 -11.7057 -11.7057 -11.7029 -11.7029 -10.1260 -10.1260 -4.6316 -4.6316 -4.3235 -4.3235 -4.2412 -4.2412 -2.4009 -2.4009 -2.0773 -2.0773 -2.0146 -2.0146 -1.9277 -1.9277 -1.6426 -1.6426 -1.5338 -1.5338 -1.4391 -1.4391 -1.3119 -1.3119 -1.2447 -1.2447 -1.2132 -1.2132 -1.1861 -1.1861 -1.0417 -1.0417 -0.7837 -0.7837 -0.6156 -0.6156 -0.1534 -0.1534 -0.1182 -0.1182 -0.0680 -0.0680 -0.0422 -0.0422 0.0224 0.0224 0.0474 0.0474 0.2148 0.2148 3.0008 3.0008 3.6286 3.6286 k = 0.5341-0.0197 0.5567 ( 9388 PWs) bands (ev): -14.9083 -14.9083 -13.7811 -13.7811 -13.7347 -13.7347 -13.7184 -13.7184 -13.4839 -13.4839 -13.4137 -13.4137 -11.7054 -11.7054 -11.7032 -11.7032 -10.1254 -10.1254 -4.6290 -4.6290 -4.3214 -4.3214 -4.2463 -4.2463 -2.3908 -2.3908 -2.0746 -2.0746 -2.0166 -2.0166 -1.9443 -1.9443 -1.6202 -1.6202 -1.5351 -1.5351 -1.4609 -1.4609 -1.2959 -1.2959 -1.2409 -1.2409 -1.2191 -1.2191 -1.1754 -1.1754 -1.0696 -1.0696 -0.7621 -0.7621 -0.6333 -0.6333 -0.1491 -0.1491 -0.1133 -0.1133 -0.0740 -0.0740 -0.0427 -0.0427 0.0241 0.0241 0.0419 0.0419 0.2183 0.2183 3.0056 3.0056 3.6339 3.6339 k = 0.5227-0.0131 0.5753 ( 9381 PWs) bands (ev): -14.9080 -14.9080 -13.7789 -13.7789 -13.7353 -13.7353 -13.7215 -13.7215 -13.4808 -13.4808 -13.4159 -13.4159 -11.7050 -11.7050 -11.7036 -11.7036 -10.1249 -10.1249 -4.6270 -4.6270 -4.3193 -4.3193 -4.2506 -4.2506 -2.3824 -2.3824 -2.0747 -2.0747 -2.0130 -2.0130 -1.9606 -1.9606 -1.5986 -1.5986 -1.5351 -1.5351 -1.4829 -1.4829 -1.2801 -1.2801 -1.2396 -1.2396 -1.2223 -1.2223 -1.1651 -1.1651 -1.0970 -1.0970 -0.7403 -0.7403 -0.6525 -0.6525 -0.1456 -0.1456 -0.1080 -0.1080 -0.0802 -0.0802 -0.0435 -0.0435 0.0258 0.0258 0.0371 0.0371 0.2211 0.2211 3.0094 3.0094 3.6389 3.6389 k = 0.5114-0.0066 0.5938 ( 9374 PWs) bands (ev): -14.9078 -14.9078 -13.7773 -13.7773 -13.7360 -13.7360 -13.7233 -13.7233 -13.4787 -13.4787 -13.4174 -13.4174 -11.7047 -11.7047 -11.7039 -11.7039 -10.1246 -10.1246 -4.6258 -4.6258 -4.3177 -4.3177 -4.2537 -4.2537 -2.3768 -2.3768 -2.0761 -2.0761 -2.0042 -2.0042 -1.9764 -1.9764 -1.5790 -1.5790 -1.5355 -1.5355 -1.5020 -1.5020 -1.2647 -1.2647 -1.2418 -1.2418 -1.2239 -1.2239 -1.1566 -1.1566 -1.1193 -1.1193 -0.7187 -0.7187 -0.6724 -0.6724 -0.1431 -0.1431 -0.1027 -0.1027 -0.0862 -0.0862 -0.0444 -0.0444 0.0274 0.0274 0.0337 0.0337 0.2230 0.2230 3.0118 3.0118 3.6427 3.6427 k = 0.5000-0.0000 0.6124 ( 9340 PWs) bands (ev): -14.9077 -14.9077 -13.7767 -13.7767 -13.7364 -13.7364 -13.7238 -13.7238 -13.4780 -13.4780 -13.4180 -13.4180 -11.7043 -11.7043 -11.7043 -11.7043 -10.1245 -10.1245 -4.6253 -4.6253 -4.3171 -4.3171 -4.2548 -4.2548 -2.3748 -2.3748 -2.0769 -2.0769 -1.9915 -1.9915 -1.9912 -1.9912 -1.5683 -1.5683 -1.5383 -1.5383 -1.5098 -1.5098 -1.2530 -1.2530 -1.2472 -1.2472 -1.2254 -1.2254 -1.1537 -1.1537 -1.1280 -1.1280 -0.7030 -0.7030 -0.6876 -0.6876 -0.1422 -0.1422 -0.0995 -0.0995 -0.0895 -0.0895 -0.0447 -0.0447 0.0282 0.0282 0.0323 0.0323 0.2237 0.2237 3.0126 3.0126 3.6442 3.6442 k = 0.5000-0.0000 0.6124 ( 9340 PWs) bands (ev): -14.9077 -14.9077 -13.7767 -13.7767 -13.7364 -13.7364 -13.7238 -13.7238 -13.4780 -13.4780 -13.4180 -13.4180 -11.7043 -11.7043 -11.7043 -11.7043 -10.1245 -10.1245 -4.6253 -4.6253 -4.3171 -4.3171 -4.2548 -4.2548 -2.3748 -2.3748 -2.0769 -2.0769 -1.9915 -1.9915 -1.9912 -1.9912 -1.5683 -1.5683 -1.5383 -1.5383 -1.5098 -1.5098 -1.2530 -1.2530 -1.2472 -1.2472 -1.2254 -1.2254 -1.1537 -1.1537 -1.1280 -1.1280 -0.7030 -0.7030 -0.6876 -0.6876 -0.1422 -0.1422 -0.0995 -0.0995 -0.0895 -0.0895 -0.0447 -0.0447 0.0282 0.0282 0.0323 0.0323 0.2237 0.2237 3.0126 3.0126 3.6442 3.6442 k = 0.5000 0.0131 0.5938 ( 9374 PWs) bands (ev): -14.9079 -14.9079 -13.7782 -13.7782 -13.7356 -13.7356 -13.7228 -13.7228 -13.4779 -13.4779 -13.4181 -13.4181 -11.7043 -11.7043 -11.7043 -11.7043 -10.1247 -10.1247 -4.6263 -4.6263 -4.3184 -4.3184 -4.2528 -4.2528 -2.3738 -2.3738 -2.0777 -2.0777 -1.9932 -1.9932 -1.9892 -1.9892 -1.5876 -1.5876 -1.5318 -1.5318 -1.4972 -1.4972 -1.2580 -1.2580 -1.2515 -1.2515 -1.2253 -1.2253 -1.1476 -1.1476 -1.1228 -1.1228 -0.7031 -0.7031 -0.6876 -0.6876 -0.1424 -0.1424 -0.0991 -0.0991 -0.0893 -0.0893 -0.0453 -0.0453 0.0288 0.0288 0.0329 0.0329 0.2226 0.2226 3.0109 3.0109 3.6414 3.6414 k = 0.5000 0.0262 0.5753 ( 9380 PWs) bands (ev): -14.9083 -14.9083 -13.7823 -13.7823 -13.7335 -13.7335 -13.7200 -13.7200 -13.4774 -13.4774 -13.4184 -13.4184 -11.7044 -11.7044 -11.7042 -11.7042 -10.1256 -10.1256 -4.6293 -4.6293 -4.3220 -4.3220 -4.2474 -4.2474 -2.3707 -2.3707 -2.0801 -2.0801 -1.9946 -1.9946 -1.9869 -1.9869 -1.6178 -1.6178 -1.5329 -1.5329 -1.4665 -1.4665 -1.2733 -1.2733 -1.2628 -1.2628 -1.2209 -1.2209 -1.1327 -1.1327 -1.1097 -1.1097 -0.7032 -0.7032 -0.6877 -0.6877 -0.1433 -0.1433 -0.0978 -0.0978 -0.0886 -0.0886 -0.0468 -0.0468 0.0305 0.0305 0.0347 0.0347 0.2195 0.2195 3.0059 3.0059 3.6342 3.6342 k = 0.5000 0.0394 0.5567 ( 9380 PWs) bands (ev): -14.9090 -14.9090 -13.7879 -13.7879 -13.7308 -13.7308 -13.7157 -13.7157 -13.4767 -13.4767 -13.4190 -13.4190 -11.7045 -11.7045 -11.7042 -11.7042 -10.1269 -10.1269 -4.6343 -4.6343 -4.3265 -4.3265 -4.2397 -4.2397 -2.3658 -2.3658 -2.0840 -2.0840 -1.9957 -1.9957 -1.9844 -1.9844 -1.6481 -1.6481 -1.5387 -1.5387 -1.4310 -1.4310 -1.2939 -1.2939 -1.2799 -1.2799 -1.2100 -1.2100 -1.1138 -1.1138 -1.0922 -1.0922 -0.7034 -0.7034 -0.6877 -0.6877 -0.1450 -0.1450 -0.0956 -0.0956 -0.0875 -0.0875 -0.0485 -0.0485 0.0331 0.0331 0.0377 0.0377 0.2144 0.2144 2.9973 2.9973 3.6244 3.6244 k = 0.5000 0.0525 0.5381 ( 9374 PWs) bands (ev): -14.9099 -14.9099 -13.7945 -13.7945 -13.7277 -13.7277 -13.7103 -13.7103 -13.4757 -13.4757 -13.4197 -13.4197 -11.7046 -11.7046 -11.7040 -11.7040 -10.1287 -10.1287 -4.6413 -4.6413 -4.3308 -4.3308 -4.2309 -4.2309 -2.3593 -2.3593 -2.0893 -2.0893 -1.9962 -1.9962 -1.9817 -1.9817 -1.6770 -1.6770 -1.5468 -1.5468 -1.3949 -1.3949 -1.3165 -1.3165 -1.2996 -1.2996 -1.1943 -1.1943 -1.0932 -1.0932 -1.0729 -1.0729 -0.7037 -0.7037 -0.6878 -0.6878 -0.1480 -0.1480 -0.0932 -0.0932 -0.0857 -0.0857 -0.0493 -0.0493 0.0364 0.0364 0.0414 0.0414 0.2073 0.2073 2.9853 2.9853 3.6135 3.6135 k = 0.5000 0.0656 0.5196 ( 9374 PWs) bands (ev): -14.9111 -14.9111 -13.8015 -13.8015 -13.7241 -13.7241 -13.7045 -13.7045 -13.4744 -13.4744 -13.4207 -13.4207 -11.7048 -11.7048 -11.7039 -11.7039 -10.1310 -10.1310 -4.6501 -4.6501 -4.3344 -4.3344 -4.2216 -4.2216 -2.3513 -2.3513 -2.0961 -2.0961 -1.9963 -1.9963 -1.9789 -1.9789 -1.7041 -1.7041 -1.5564 -1.5564 -1.3651 -1.3651 -1.3370 -1.3370 -1.3170 -1.3170 -1.1747 -1.1747 -1.0722 -1.0722 -1.0528 -1.0528 -0.7042 -0.7042 -0.6878 -0.6878 -0.1524 -0.1524 -0.0933 -0.0933 -0.0811 -0.0811 -0.0482 -0.0482 0.0401 0.0401 0.0457 0.0457 0.1984 0.1984 2.9697 2.9697 3.6027 3.6027 k = 0.5000 0.0787 0.5010 ( 9376 PWs) bands (ev): -14.9124 -14.9124 -13.8088 -13.8088 -13.7201 -13.7201 -13.6985 -13.6985 -13.4729 -13.4729 -13.4218 -13.4218 -11.7049 -11.7049 -11.7037 -11.7037 -10.1337 -10.1337 -4.6606 -4.6606 -4.3369 -4.3369 -4.2121 -4.2121 -2.3422 -2.3422 -2.1041 -2.1041 -1.9958 -1.9958 -1.9758 -1.9758 -1.7289 -1.7289 -1.5668 -1.5668 -1.3730 -1.3730 -1.3510 -1.3510 -1.3042 -1.3042 -1.1521 -1.1521 -1.0512 -1.0512 -1.0326 -1.0326 -0.7050 -0.7050 -0.6878 -0.6878 -0.1578 -0.1578 -0.0967 -0.0967 -0.0738 -0.0738 -0.0447 -0.0447 0.0440 0.0440 0.0503 0.0503 0.1877 0.1877 2.9507 2.9507 3.5928 3.5928 k = 0.5000 0.0919 0.4825 ( 9376 PWs) bands (ev): -14.9140 -14.9140 -13.8160 -13.8160 -13.7157 -13.7157 -13.6926 -13.6926 -13.4712 -13.4712 -13.4231 -13.4231 -11.7052 -11.7052 -11.7035 -11.7035 -10.1367 -10.1367 -4.6727 -4.6727 -4.3380 -4.3380 -4.2027 -4.2027 -2.3325 -2.3325 -2.1133 -2.1133 -1.9947 -1.9947 -1.9723 -1.9723 -1.7512 -1.7512 -1.5777 -1.5777 -1.3971 -1.3971 -1.3721 -1.3721 -1.2686 -1.2686 -1.1272 -1.1272 -1.0307 -1.0307 -1.0127 -1.0127 -0.7060 -0.7060 -0.6877 -0.6877 -0.1642 -0.1642 -0.1022 -0.1022 -0.0646 -0.0646 -0.0390 -0.0390 0.0481 0.0481 0.0550 0.0550 0.1756 0.1756 2.9283 2.9283 3.5841 3.5841 k = 0.5000 0.1050 0.4639 ( 9370 PWs) bands (ev): -14.9157 -14.9157 -13.8231 -13.8231 -13.7109 -13.7109 -13.6868 -13.6868 -13.4693 -13.4693 -13.4246 -13.4246 -11.7054 -11.7054 -11.7033 -11.7033 -10.1400 -10.1400 -4.6859 -4.6859 -4.3380 -4.3380 -4.1935 -4.1935 -2.3226 -2.3226 -2.1235 -2.1235 -1.9933 -1.9933 -1.9682 -1.9682 -1.7710 -1.7710 -1.5888 -1.5888 -1.4228 -1.4228 -1.3946 -1.3946 -1.2303 -1.2303 -1.1005 -1.1005 -1.0106 -1.0106 -0.9933 -0.9933 -0.7073 -0.7073 -0.6874 -0.6874 -0.1713 -0.1713 -0.1090 -0.1090 -0.0542 -0.0542 -0.0316 -0.0316 0.0522 0.0522 0.0597 0.0597 0.1621 0.1621 2.9028 2.9028 3.5769 3.5769 k = 0.5000 0.1181 0.4454 ( 9366 PWs) bands (ev): -14.9175 -14.9175 -13.8300 -13.8300 -13.7057 -13.7057 -13.6813 -13.6813 -13.4672 -13.4672 -13.4263 -13.4263 -11.7057 -11.7057 -11.7031 -11.7031 -10.1436 -10.1436 -4.7000 -4.7000 -4.3368 -4.3368 -4.1847 -4.1847 -2.3128 -2.3128 -2.1344 -2.1344 -1.9916 -1.9916 -1.9631 -1.9631 -1.7880 -1.7880 -1.5998 -1.5998 -1.4489 -1.4489 -1.4172 -1.4172 -1.1918 -1.1918 -1.0724 -1.0724 -0.9913 -0.9913 -0.9743 -0.9743 -0.7090 -0.7090 -0.6871 -0.6871 -0.1787 -0.1787 -0.1167 -0.1167 -0.0429 -0.0429 -0.0229 -0.0229 0.0562 0.0562 0.0642 0.0642 0.1476 0.1476 2.8747 2.8747 3.5713 3.5713 k = 0.5000 0.1312 0.4268 ( 9358 PWs) bands (ev): -14.9193 -14.9193 -13.8366 -13.8366 -13.7003 -13.7003 -13.6762 -13.6762 -13.4650 -13.4650 -13.4281 -13.4281 -11.7059 -11.7059 -11.7029 -11.7029 -10.1473 -10.1473 -4.7146 -4.7146 -4.3347 -4.3347 -4.1762 -4.1762 -2.3035 -2.3035 -2.1459 -2.1459 -1.9900 -1.9900 -1.9568 -1.9568 -1.8022 -1.8022 -1.6105 -1.6105 -1.4750 -1.4750 -1.4397 -1.4397 -1.1536 -1.1536 -1.0436 -1.0436 -0.9727 -0.9727 -0.9559 -0.9559 -0.7110 -0.7110 -0.6866 -0.6866 -0.1863 -0.1863 -0.1249 -0.1249 -0.0312 -0.0312 -0.0135 -0.0135 0.0599 0.0599 0.0685 0.0685 0.1324 0.1324 2.8445 2.8445 3.5671 3.5671 k = 0.5000 0.1443 0.4082 ( 9388 PWs) bands (ev): -14.9212 -14.9212 -13.8429 -13.8429 -13.6948 -13.6948 -13.6714 -13.6714 -13.4628 -13.4628 -13.4300 -13.4300 -11.7062 -11.7062 -11.7026 -11.7026 -10.1511 -10.1511 -4.7294 -4.7294 -4.3318 -4.3318 -4.1682 -4.1682 -2.2952 -2.2952 -2.1575 -2.1575 -1.9885 -1.9885 -1.9489 -1.9489 -1.8136 -1.8136 -1.6209 -1.6209 -1.5009 -1.5009 -1.4620 -1.4620 -1.1164 -1.1164 -1.0145 -1.0145 -0.9548 -0.9548 -0.9380 -0.9380 -0.7135 -0.7135 -0.6860 -0.6860 -0.1939 -0.1939 -0.1335 -0.1335 -0.0196 -0.0196 -0.0036 -0.0036 0.0632 0.0632 0.0725 0.0725 0.1170 0.1170 2.8128 2.8128 3.5643 3.5643 k = 0.5000 0.1575 0.3897 ( 9370 PWs) bands (ev): -14.9231 -14.9231 -13.8488 -13.8488 -13.6893 -13.6893 -13.6669 -13.6669 -13.4605 -13.4605 -13.4319 -13.4319 -11.7065 -11.7065 -11.7024 -11.7024 -10.1549 -10.1549 -4.7440 -4.7440 -4.3285 -4.3285 -4.1606 -4.1606 -2.2881 -2.2881 -2.1690 -2.1690 -1.9874 -1.9874 -1.9392 -1.9392 -1.8222 -1.8222 -1.6309 -1.6309 -1.5264 -1.5264 -1.4838 -1.4838 -1.0804 -1.0804 -0.9860 -0.9860 -0.9378 -0.9378 -0.9204 -0.9204 -0.7164 -0.7164 -0.6854 -0.6854 -0.2014 -0.2014 -0.1421 -0.1421 -0.0084 -0.0084 0.0066 0.0066 0.0657 0.0657 0.0761 0.0761 0.1022 0.1022 2.7803 2.7803 3.5626 3.5626 k = 0.5000 0.1706 0.3711 ( 9382 PWs) bands (ev): -14.9249 -14.9249 -13.8542 -13.8542 -13.6839 -13.6839 -13.6629 -13.6629 -13.4582 -13.4582 -13.4340 -13.4340 -11.7068 -11.7068 -11.7022 -11.7022 -10.1585 -10.1585 -4.7582 -4.7582 -4.3249 -4.3249 -4.1535 -4.1535 -2.2824 -2.2824 -2.1801 -2.1801 -1.9868 -1.9868 -1.9279 -1.9279 -1.8281 -1.8281 -1.6404 -1.6404 -1.5514 -1.5514 -1.5051 -1.5051 -1.0461 -1.0461 -0.9588 -0.9588 -0.9216 -0.9216 -0.9030 -0.9030 -0.7198 -0.7198 -0.6846 -0.6846 -0.2085 -0.2085 -0.1507 -0.1507 0.0015 0.0015 0.0167 0.0167 0.0661 0.0661 0.0789 0.0789 0.0905 0.0905 2.7478 2.7478 3.5618 3.5618 k = 0.5000 0.1837 0.3526 ( 9376 PWs) bands (ev): -14.9266 -14.9266 -13.8592 -13.8592 -13.6788 -13.6788 -13.6591 -13.6591 -13.4560 -13.4560 -13.4360 -13.4360 -11.7071 -11.7071 -11.7019 -11.7019 -10.1621 -10.1621 -4.7716 -4.7716 -4.3211 -4.3211 -4.1469 -4.1469 -2.2783 -2.2783 -2.1903 -2.1903 -1.9866 -1.9866 -1.9148 -1.9148 -1.8314 -1.8314 -1.6496 -1.6496 -1.5756 -1.5756 -1.5257 -1.5257 -1.0139 -1.0139 -0.9341 -0.9341 -0.9059 -0.9059 -0.8853 -0.8853 -0.7237 -0.7237 -0.6838 -0.6838 -0.2153 -0.2153 -0.1591 -0.1591 0.0087 0.0087 0.0266 0.0266 0.0623 0.0623 0.0799 0.0799 0.0863 0.0863 2.7161 2.7161 3.5617 3.5617 k = 0.5000 0.1968 0.3340 ( 9380 PWs) bands (ev): -14.9283 -14.9283 -13.8636 -13.8636 -13.6740 -13.6740 -13.6557 -13.6557 -13.4539 -13.4539 -13.4380 -13.4380 -11.7073 -11.7073 -11.7017 -11.7017 -10.1654 -10.1654 -4.7840 -4.7840 -4.3175 -4.3175 -4.1408 -4.1408 -2.2758 -2.2758 -2.1992 -2.1992 -1.9867 -1.9867 -1.9004 -1.9004 -1.8323 -1.8323 -1.6584 -1.6584 -1.5989 -1.5989 -1.5454 -1.5454 -0.9845 -0.9845 -0.9128 -0.9128 -0.8906 -0.8906 -0.8669 -0.8669 -0.7281 -0.7281 -0.6829 -0.6829 -0.2215 -0.2215 -0.1672 -0.1672 0.0110 0.0110 0.0361 0.0361 0.0573 0.0573 0.0808 0.0808 0.0876 0.0876 2.6859 2.6859 3.5620 3.5620 k = 0.5000 0.2099 0.3155 ( 9386 PWs) bands (ev): -14.9298 -14.9298 -13.8675 -13.8675 -13.6697 -13.6697 -13.6526 -13.6526 -13.4520 -13.4520 -13.4398 -13.4398 -11.7076 -11.7076 -11.7016 -11.7016 -10.1684 -10.1684 -4.7952 -4.7952 -4.3141 -4.3141 -4.1354 -4.1354 -2.2748 -2.2748 -2.2067 -2.2067 -1.9872 -1.9872 -1.8850 -1.8850 -1.8310 -1.8310 -1.6669 -1.6669 -1.6210 -1.6210 -1.5640 -1.5640 -0.9584 -0.9584 -0.8954 -0.8954 -0.8756 -0.8756 -0.8482 -0.8482 -0.7329 -0.7329 -0.6820 -0.6820 -0.2271 -0.2271 -0.1748 -0.1748 0.0064 0.0064 0.0448 0.0448 0.0568 0.0568 0.0822 0.0822 0.0897 0.0897 2.6580 2.6580 3.5627 3.5627 k = 0.5000 0.2231 0.2969 ( 9382 PWs) bands (ev): -14.9311 -14.9311 -13.8709 -13.8709 -13.6660 -13.6660 -13.6499 -13.6499 -13.4502 -13.4502 -13.4416 -13.4416 -11.7078 -11.7078 -11.7014 -11.7014 -10.1711 -10.1711 -4.8050 -4.8050 -4.3110 -4.3110 -4.1306 -4.1306 -2.2752 -2.2752 -2.2127 -2.2127 -1.9878 -1.9878 -1.8689 -1.8689 -1.8279 -1.8279 -1.6754 -1.6754 -1.6418 -1.6418 -1.5809 -1.5809 -0.9363 -0.9363 -0.8811 -0.8811 -0.8612 -0.8612 -0.8299 -0.8299 -0.7381 -0.7381 -0.6810 -0.6810 -0.2319 -0.2319 -0.1817 -0.1817 -0.0024 -0.0024 0.0525 0.0525 0.0601 0.0601 0.0837 0.0837 0.0917 0.0917 2.6330 2.6330 3.5635 3.5635 k = 0.5000 0.2362 0.2784 ( 9382 PWs) bands (ev): -14.9321 -14.9321 -13.8736 -13.8736 -13.6629 -13.6629 -13.6474 -13.6474 -13.4488 -13.4488 -13.4431 -13.4431 -11.7080 -11.7080 -11.7012 -11.7012 -10.1733 -10.1733 -4.8132 -4.8132 -4.3084 -4.3084 -4.1266 -4.1266 -2.2764 -2.2764 -2.2170 -2.2170 -1.9884 -1.9884 -1.8528 -1.8528 -1.8233 -1.8233 -1.6841 -1.6841 -1.6607 -1.6607 -1.5956 -1.5956 -0.9189 -0.9189 -0.8691 -0.8691 -0.8477 -0.8477 -0.8132 -0.8132 -0.7437 -0.7437 -0.6800 -0.6800 -0.2360 -0.2360 -0.1878 -0.1878 -0.0123 -0.0123 0.0590 0.0590 0.0648 0.0648 0.0850 0.0850 0.0935 0.0935 2.6116 2.6116 3.5643 3.5643 k = 0.5000 0.2493 0.2598 ( 9378 PWs) bands (ev): -14.9330 -14.9330 -13.8758 -13.8758 -13.6606 -13.6606 -13.6454 -13.6454 -13.4476 -13.4476 -13.4443 -13.4443 -11.7081 -11.7081 -11.7011 -11.7011 -10.1751 -10.1751 -4.8197 -4.8197 -4.3063 -4.3063 -4.1234 -4.1234 -2.2781 -2.2781 -2.2200 -2.2200 -1.9890 -1.9890 -1.8376 -1.8376 -1.8178 -1.8178 -1.6931 -1.6931 -1.6771 -1.6771 -1.6077 -1.6077 -0.9060 -0.9060 -0.8591 -0.8591 -0.8355 -0.8355 -0.7994 -0.7994 -0.7495 -0.7495 -0.6790 -0.6790 -0.2393 -0.2393 -0.1928 -0.1928 -0.0212 -0.0212 0.0641 0.0641 0.0694 0.0694 0.0859 0.0859 0.0951 0.0951 2.5944 2.5944 3.5650 3.5650 k = 0.5000 0.2624 0.2412 ( 9378 PWs) bands (ev): -14.9337 -14.9337 -13.8774 -13.8774 -13.6589 -13.6589 -13.6439 -13.6439 -13.4468 -13.4468 -13.4453 -13.4453 -11.7082 -11.7082 -11.7010 -11.7010 -10.1765 -10.1765 -4.8244 -4.8244 -4.3048 -4.3048 -4.1211 -4.1211 -2.2797 -2.2797 -2.2220 -2.2220 -1.9895 -1.9895 -1.8248 -1.8248 -1.8118 -1.8118 -1.7019 -1.7019 -1.6901 -1.6901 -1.6165 -1.6165 -0.8974 -0.8974 -0.8516 -0.8516 -0.8250 -0.8250 -0.7889 -0.7889 -0.7551 -0.7551 -0.6781 -0.6781 -0.2417 -0.2417 -0.1965 -0.1965 -0.0282 -0.0282 0.0677 0.0677 0.0732 0.0732 0.0863 0.0863 0.0963 0.0963 2.5817 2.5817 3.5656 3.5656 k = 0.5000 0.2756 0.2227 ( 9380 PWs) bands (ev): -14.9340 -14.9340 -13.8783 -13.8783 -13.6580 -13.6580 -13.6429 -13.6429 -13.4462 -13.4462 -13.4459 -13.4459 -11.7083 -11.7083 -11.7010 -11.7010 -10.1773 -10.1773 -4.8273 -4.8273 -4.3039 -4.3039 -4.1197 -4.1197 -2.2808 -2.2808 -2.2231 -2.2231 -1.9899 -1.9899 -1.8165 -1.8165 -1.8061 -1.8061 -1.7093 -1.7093 -1.6983 -1.6983 -1.6218 -1.6218 -0.8926 -0.8926 -0.8469 -0.8469 -0.8177 -0.8177 -0.7823 -0.7823 -0.7595 -0.7595 -0.6775 -0.6775 -0.2431 -0.2431 -0.1989 -0.1989 -0.0326 -0.0326 0.0698 0.0698 0.0758 0.0758 0.0864 0.0864 0.0971 0.0971 2.5740 2.5740 3.5659 3.5659 k = 0.5000 0.2887 0.2041 ( 9390 PWs) bands (ev): -14.9342 -14.9342 -13.8786 -13.8786 -13.6577 -13.6577 -13.6426 -13.6426 -13.4461 -13.4461 -13.4460 -13.4460 -11.7083 -11.7083 -11.7010 -11.7010 -10.1775 -10.1775 -4.8283 -4.8283 -4.3036 -4.3036 -4.1192 -4.1192 -2.2812 -2.2812 -2.2234 -2.2234 -1.9900 -1.9900 -1.8138 -1.8138 -1.8036 -1.8036 -1.7123 -1.7123 -1.7012 -1.7012 -1.6235 -1.6235 -0.8910 -0.8910 -0.8452 -0.8452 -0.8149 -0.8149 -0.7799 -0.7799 -0.7614 -0.7614 -0.6773 -0.6773 -0.2436 -0.2436 -0.1997 -0.1997 -0.0341 -0.0341 0.0705 0.0705 0.0767 0.0767 0.0864 0.0864 0.0973 0.0973 2.5714 2.5714 3.5661 3.5661 k = 0.5000 0.2887 0.2041 ( 9390 PWs) bands (ev): -14.9342 -14.9342 -13.8786 -13.8786 -13.6577 -13.6577 -13.6426 -13.6426 -13.4461 -13.4461 -13.4460 -13.4460 -11.7083 -11.7083 -11.7010 -11.7010 -10.1775 -10.1775 -4.8283 -4.8283 -4.3036 -4.3036 -4.1192 -4.1192 -2.2812 -2.2812 -2.2234 -2.2234 -1.9900 -1.9900 -1.8138 -1.8138 -1.8036 -1.8036 -1.7123 -1.7123 -1.7012 -1.7012 -1.6235 -1.6235 -0.8910 -0.8910 -0.8452 -0.8452 -0.8149 -0.8149 -0.7799 -0.7799 -0.7614 -0.7614 -0.6773 -0.6773 -0.2436 -0.2436 -0.1997 -0.1997 -0.0341 -0.0341 0.0705 0.0705 0.0767 0.0767 0.0864 0.0864 0.0973 0.0973 2.5714 2.5714 3.5661 3.5661 k = 0.4934 0.2849 0.2256 ( 9382 PWs) bands (ev): -14.9340 -14.9340 -13.8783 -13.8783 -13.6580 -13.6580 -13.6429 -13.6429 -13.4462 -13.4462 -13.4459 -13.4459 -11.7083 -11.7083 -11.7010 -11.7010 -10.1773 -10.1773 -4.8273 -4.8273 -4.3039 -4.3039 -4.1197 -4.1197 -2.2808 -2.2808 -2.2231 -2.2231 -1.9899 -1.9899 -1.8165 -1.8165 -1.8062 -1.8062 -1.7093 -1.7093 -1.6983 -1.6983 -1.6218 -1.6218 -0.8926 -0.8926 -0.8469 -0.8469 -0.8177 -0.8177 -0.7823 -0.7823 -0.7595 -0.7595 -0.6775 -0.6775 -0.2431 -0.2431 -0.1989 -0.1989 -0.0326 -0.0326 0.0698 0.0698 0.0758 0.0758 0.0864 0.0864 0.0971 0.0971 2.5740 2.5740 3.5659 3.5659 k = 0.4868 0.2811 0.2471 ( 9383 PWs) bands (ev): -14.9337 -14.9337 -13.8774 -13.8774 -13.6589 -13.6589 -13.6439 -13.6439 -13.4468 -13.4468 -13.4453 -13.4453 -11.7082 -11.7082 -11.7010 -11.7010 -10.1764 -10.1764 -4.8244 -4.8244 -4.3048 -4.3048 -4.1211 -4.1211 -2.2797 -2.2797 -2.2220 -2.2220 -1.9895 -1.9895 -1.8248 -1.8248 -1.8119 -1.8119 -1.7017 -1.7017 -1.6902 -1.6902 -1.6164 -1.6164 -0.8975 -0.8975 -0.8517 -0.8517 -0.8251 -0.8251 -0.7889 -0.7889 -0.7551 -0.7551 -0.6781 -0.6781 -0.2417 -0.2417 -0.1965 -0.1965 -0.0282 -0.0282 0.0677 0.0677 0.0733 0.0733 0.0862 0.0862 0.0963 0.0963 2.5818 2.5818 3.5656 3.5656 k = 0.4803 0.2773 0.2686 ( 9379 PWs) bands (ev): -14.9330 -14.9330 -13.8758 -13.8758 -13.6606 -13.6606 -13.6454 -13.6454 -13.4477 -13.4477 -13.4443 -13.4443 -11.7081 -11.7081 -11.7011 -11.7011 -10.1751 -10.1751 -4.8197 -4.8197 -4.3063 -4.3063 -4.1234 -4.1234 -2.2781 -2.2781 -2.2200 -2.2200 -1.9890 -1.9890 -1.8373 -1.8373 -1.8184 -1.8184 -1.6919 -1.6919 -1.6780 -1.6780 -1.6075 -1.6075 -0.9060 -0.9060 -0.8595 -0.8595 -0.8354 -0.8354 -0.7993 -0.7993 -0.7497 -0.7497 -0.6789 -0.6789 -0.2393 -0.2393 -0.1927 -0.1927 -0.0212 -0.0212 0.0638 0.0638 0.0699 0.0699 0.0854 0.0854 0.0953 0.0953 2.5945 2.5945 3.5650 3.5650 k = 0.4737 0.2735 0.2901 ( 9389 PWs) bands (ev): -14.9321 -14.9321 -13.8736 -13.8736 -13.6630 -13.6630 -13.6474 -13.6474 -13.4489 -13.4489 -13.4430 -13.4430 -11.7080 -11.7080 -11.7012 -11.7012 -10.1733 -10.1733 -4.8131 -4.8131 -4.3084 -4.3084 -4.1267 -4.1267 -2.2765 -2.2765 -2.2169 -2.2169 -1.9885 -1.9885 -1.8517 -1.8517 -1.8251 -1.8251 -1.6811 -1.6811 -1.6632 -1.6632 -1.5953 -1.5953 -0.9185 -0.9185 -0.8708 -0.8708 -0.8469 -0.8469 -0.8128 -0.8128 -0.7445 -0.7445 -0.6795 -0.6795 -0.2360 -0.2360 -0.1877 -0.1877 -0.0122 -0.0122 0.0582 0.0582 0.0664 0.0664 0.0833 0.0833 0.0944 0.0944 2.6118 2.6118 3.5643 3.5643 k = 0.4671 0.2697 0.3116 ( 9384 PWs) bands (ev): -14.9310 -14.9310 -13.8708 -13.8708 -13.6661 -13.6661 -13.6498 -13.6498 -13.4505 -13.4505 -13.4413 -13.4413 -11.7078 -11.7078 -11.7014 -11.7014 -10.1710 -10.1710 -4.8049 -4.8049 -4.3111 -4.3111 -4.1307 -4.1307 -2.2754 -2.2754 -2.2123 -2.2123 -1.9880 -1.9880 -1.8664 -1.8664 -1.8315 -1.8315 -1.6696 -1.6696 -1.6468 -1.6468 -1.5800 -1.5800 -0.9351 -0.9351 -0.8859 -0.8859 -0.8591 -0.8591 -0.8282 -0.8282 -0.7406 -0.7406 -0.6794 -0.6794 -0.2319 -0.2319 -0.1816 -0.1816 -0.0024 -0.0024 0.0514 0.0514 0.0629 0.0629 0.0797 0.0797 0.0939 0.0939 2.6333 2.6333 3.5635 3.5635 k = 0.4605 0.2659 0.3330 ( 9381 PWs) bands (ev): -14.9297 -14.9297 -13.8675 -13.8675 -13.6699 -13.6699 -13.6524 -13.6524 -13.4525 -13.4525 -13.4393 -13.4393 -11.7076 -11.7076 -11.7016 -11.7016 -10.1684 -10.1684 -4.7950 -4.7950 -4.3141 -4.3141 -4.1354 -4.1354 -2.2756 -2.2756 -2.2059 -2.2059 -1.9880 -1.9880 -1.8801 -1.8801 -1.8372 -1.8372 -1.6576 -1.6576 -1.6292 -1.6292 -1.5624 -1.5624 -0.9555 -0.9555 -0.9047 -0.9047 -0.8735 -0.8735 -0.8431 -0.8431 -0.7386 -0.7386 -0.6779 -0.6779 -0.2270 -0.2270 -0.1747 -0.1747 0.0062 0.0062 0.0446 0.0446 0.0600 0.0600 0.0753 0.0753 0.0937 0.0937 2.6583 2.6583 3.5627 3.5627 k = 0.4539 0.2621 0.3545 ( 9373 PWs) bands (ev): -14.9282 -14.9282 -13.8635 -13.8635 -13.6745 -13.6745 -13.6552 -13.6552 -13.4549 -13.4549 -13.4370 -13.4370 -11.7073 -11.7073 -11.7017 -11.7017 -10.1653 -10.1653 -4.7838 -4.7838 -4.3176 -4.3176 -4.1408 -4.1408 -2.2776 -2.2776 -2.1974 -2.1974 -1.9890 -1.9890 -1.8919 -1.8919 -1.8420 -1.8420 -1.6452 -1.6452 -1.6105 -1.6105 -1.5429 -1.5429 -0.9792 -0.9792 -0.9265 -0.9265 -0.8922 -0.8922 -0.8551 -0.8551 -0.7394 -0.7394 -0.6743 -0.6743 -0.2214 -0.2214 -0.1671 -0.1671 0.0093 0.0093 0.0394 0.0394 0.0585 0.0585 0.0716 0.0716 0.0935 0.0935 2.6863 2.6863 3.5620 3.5620 k = 0.4474 0.2583 0.3760 ( 9377 PWs) bands (ev): -14.9266 -14.9266 -13.8591 -13.8591 -13.6797 -13.6797 -13.6581 -13.6581 -13.4577 -13.4577 -13.4345 -13.4345 -11.7071 -11.7071 -11.7019 -11.7019 -10.1620 -10.1620 -4.7714 -4.7714 -4.3212 -4.3212 -4.1467 -4.1467 -2.2817 -2.2817 -2.1868 -2.1868 -1.9915 -1.9915 -1.9005 -1.9005 -1.8456 -1.8456 -1.6321 -1.6321 -1.5910 -1.5910 -1.5220 -1.5220 -1.0057 -1.0057 -0.9508 -0.9508 -0.9152 -0.9152 -0.8642 -0.8642 -0.7431 -0.7431 -0.6687 -0.6687 -0.2153 -0.2153 -0.1591 -0.1591 0.0048 0.0048 0.0347 0.0347 0.0572 0.0572 0.0734 0.0734 0.0934 0.0934 2.7164 2.7164 3.5617 3.5617 k = 0.4408 0.2545 0.3975 ( 9377 PWs) bands (ev): -14.9249 -14.9249 -13.8541 -13.8541 -13.6854 -13.6854 -13.6610 -13.6610 -13.4608 -13.4608 -13.4318 -13.4318 -11.7068 -11.7068 -11.7021 -11.7021 -10.1585 -10.1585 -4.7581 -4.7581 -4.3250 -4.3250 -4.1531 -4.1531 -2.2882 -2.2882 -2.1743 -2.1743 -1.9961 -1.9961 -1.9054 -1.9054 -1.8479 -1.8479 -1.6183 -1.6183 -1.5708 -1.5708 -1.5002 -1.5002 -1.0345 -1.0345 -0.9772 -0.9772 -0.9407 -0.9407 -0.8716 -0.8716 -0.7493 -0.7493 -0.6613 -0.6613 -0.2087 -0.2087 -0.1508 -0.1508 -0.0044 -0.0044 0.0280 0.0280 0.0532 0.0532 0.0819 0.0819 0.0945 0.0945 2.7479 2.7479 3.5619 3.5619 k = 0.4342 0.2507 0.4190 ( 9379 PWs) bands (ev): -14.9231 -14.9231 -13.8487 -13.8487 -13.6915 -13.6915 -13.6641 -13.6641 -13.4643 -13.4643 -13.4289 -13.4289 -11.7066 -11.7066 -11.7023 -11.7023 -10.1548 -10.1548 -4.7441 -4.7441 -4.3286 -4.3286 -4.1598 -4.1598 -2.2972 -2.2972 -2.1602 -2.1602 -2.0027 -2.0027 -1.9061 -1.9061 -1.8487 -1.8487 -1.6038 -1.6038 -1.5500 -1.5500 -1.4777 -1.4777 -1.0652 -1.0652 -1.0055 -1.0055 -0.9675 -0.9675 -0.8783 -0.8783 -0.7576 -0.7576 -0.6525 -0.6525 -0.2018 -0.2018 -0.1425 -0.1425 -0.0156 -0.0156 0.0193 0.0193 0.0483 0.0483 0.0876 0.0876 0.1020 0.1020 2.7798 2.7798 3.5627 3.5627 k = 0.4276 0.2469 0.4405 ( 9381 PWs) bands (ev): -14.9212 -14.9212 -13.8429 -13.8429 -13.6978 -13.6978 -13.6672 -13.6672 -13.4682 -13.4682 -13.4258 -13.4258 -11.7064 -11.7064 -11.7025 -11.7025 -10.1511 -10.1511 -4.7297 -4.7297 -4.3320 -4.3320 -4.1668 -4.1668 -2.3086 -2.3086 -2.1447 -2.1447 -2.0107 -2.0107 -1.9033 -1.9033 -1.8478 -1.8478 -1.5886 -1.5886 -1.5287 -1.5287 -1.4547 -1.4547 -1.0973 -1.0973 -1.0354 -1.0354 -0.9946 -0.9946 -0.8845 -0.8845 -0.7675 -0.7675 -0.6428 -0.6428 -0.1948 -0.1948 -0.1344 -0.1344 -0.0273 -0.0273 0.0094 0.0094 0.0434 0.0434 0.0880 0.0880 0.1155 0.1155 2.8114 2.8114 3.5645 3.5645 k = 0.4211 0.2431 0.4620 ( 9375 PWs) bands (ev): -14.9194 -14.9194 -13.8367 -13.8367 -13.7042 -13.7042 -13.6703 -13.6703 -13.4724 -13.4724 -13.4226 -13.4226 -11.7062 -11.7062 -11.7026 -11.7026 -10.1473 -10.1473 -4.7155 -4.7155 -4.3348 -4.3348 -4.1738 -4.1738 -2.3223 -2.3223 -2.1284 -2.1284 -2.0191 -2.0191 -1.8977 -1.8977 -1.8452 -1.8452 -1.5727 -1.5727 -1.5071 -1.5071 -1.4314 -1.4314 -1.1305 -1.1305 -1.0667 -1.0667 -1.0213 -1.0213 -0.8906 -0.8906 -0.7788 -0.7788 -0.6323 -0.6323 -0.1880 -0.1880 -0.1268 -0.1268 -0.0389 -0.0389 -0.0012 -0.0012 0.0388 0.0388 0.0872 0.0872 0.1301 0.1301 2.8417 2.8417 3.5674 3.5674 k = 0.4145 0.2393 0.4835 ( 9377 PWs) bands (ev): -14.9176 -14.9176 -13.8302 -13.8302 -13.7105 -13.7105 -13.6735 -13.6735 -13.4769 -13.4769 -13.4194 -13.4194 -11.7061 -11.7061 -11.7027 -11.7027 -10.1437 -10.1437 -4.7016 -4.7016 -4.3369 -4.3369 -4.1810 -4.1810 -2.3380 -2.3380 -2.1120 -2.1120 -2.0269 -2.0269 -1.8899 -1.8899 -1.8407 -1.8407 -1.5564 -1.5564 -1.4854 -1.4854 -1.4079 -1.4079 -1.1643 -1.1643 -1.0991 -1.0991 -1.0469 -1.0469 -0.8966 -0.8966 -0.7913 -0.7913 -0.6214 -0.6214 -0.1815 -0.1815 -0.1202 -0.1202 -0.0494 -0.0494 -0.0117 -0.0117 0.0344 0.0344 0.0860 0.0860 0.1442 0.1442 2.8701 2.8701 3.5715 3.5715 k = 0.4079 0.2355 0.5049 ( 9379 PWs) bands (ev): -14.9158 -14.9158 -13.8236 -13.8236 -13.7165 -13.7165 -13.6766 -13.6766 -13.4816 -13.4816 -13.4160 -13.4160 -11.7061 -11.7061 -11.7027 -11.7027 -10.1403 -10.1403 -4.6886 -4.6886 -4.3381 -4.3381 -4.1880 -4.1880 -2.3555 -2.3555 -2.0970 -2.0970 -2.0326 -2.0326 -1.8804 -1.8804 -1.8343 -1.8343 -1.5400 -1.5400 -1.4638 -1.4638 -1.3845 -1.3845 -1.1982 -1.1982 -1.1322 -1.1322 -1.0711 -1.0711 -0.9025 -0.9025 -0.8046 -0.8046 -0.6101 -0.6101 -0.1758 -0.1758 -0.1158 -0.1158 -0.0576 -0.0576 -0.0218 -0.0218 0.0303 0.0303 0.0846 0.0846 0.1573 0.1573 2.8957 2.8957 3.5768 3.5768 k = 0.4013 0.2317 0.5264 ( 9370 PWs) bands (ev): -14.9143 -14.9143 -13.8170 -13.8170 -13.7220 -13.7220 -13.6797 -13.6797 -13.4865 -13.4865 -13.4127 -13.4127 -11.7061 -11.7061 -11.7026 -11.7026 -10.1371 -10.1371 -4.6767 -4.6767 -4.3381 -4.3381 -4.1949 -4.1949 -2.3742 -2.3742 -2.0865 -2.0865 -2.0333 -2.0333 -1.8697 -1.8697 -1.8259 -1.8259 -1.5242 -1.5242 -1.4430 -1.4430 -1.3614 -1.3614 -1.2311 -1.2311 -1.1653 -1.1653 -1.0934 -1.0934 -0.9086 -0.9086 -0.8186 -0.8186 -0.5985 -0.5985 -0.1714 -0.1714 -0.1147 -0.1147 -0.0618 -0.0618 -0.0306 -0.0306 0.0266 0.0266 0.0830 0.0830 0.1690 0.1690 2.9182 2.9182 3.5832 3.5832 k = 0.3947 0.2279 0.5479 ( 9374 PWs) bands (ev): -14.9129 -14.9129 -13.8105 -13.8105 -13.7269 -13.7269 -13.6828 -13.6828 -13.4916 -13.4916 -13.4093 -13.4093 -11.7063 -11.7063 -11.7024 -11.7024 -10.1343 -10.1343 -4.6664 -4.6664 -4.3371 -4.3371 -4.2014 -4.2014 -2.3937 -2.3937 -2.0837 -2.0837 -2.0259 -2.0259 -1.8579 -1.8579 -1.8157 -1.8157 -1.5098 -1.5098 -1.4238 -1.4238 -1.3394 -1.3394 -1.2612 -1.2612 -1.1975 -1.1975 -1.1135 -1.1135 -0.9147 -0.9147 -0.8332 -0.8332 -0.5867 -0.5867 -0.1688 -0.1688 -0.1176 -0.1176 -0.0614 -0.0614 -0.0376 -0.0376 0.0233 0.0233 0.0813 0.0813 0.1788 0.1788 2.9371 2.9371 3.5903 3.5903 k = 0.3882 0.2241 0.5694 ( 9367 PWs) bands (ev): -14.9118 -14.9118 -13.8044 -13.8044 -13.7308 -13.7308 -13.6858 -13.6858 -13.4968 -13.4968 -13.4060 -13.4060 -11.7065 -11.7065 -11.7022 -11.7022 -10.1320 -10.1320 -4.6578 -4.6578 -4.3352 -4.3352 -4.2074 -4.2074 -2.4133 -2.4133 -2.0874 -2.0874 -2.0121 -2.0121 -1.8454 -1.8454 -1.8036 -1.8036 -1.4986 -1.4986 -1.4080 -1.4080 -1.3225 -1.3225 -1.2828 -1.2828 -1.2266 -1.2266 -1.1310 -1.1310 -0.9210 -0.9210 -0.8481 -0.8481 -0.5749 -0.5749 -0.1685 -0.1685 -0.1231 -0.1231 -0.0575 -0.0575 -0.0422 -0.0422 0.0203 0.0203 0.0796 0.0796 0.1867 0.1867 2.9523 2.9523 3.5976 3.5976 k = 0.3816 0.2203 0.5909 ( 9362 PWs) bands (ev): -14.9109 -14.9109 -13.7989 -13.7989 -13.7336 -13.7336 -13.6888 -13.6888 -13.5021 -13.5021 -13.4027 -13.4027 -11.7067 -11.7067 -11.7020 -11.7020 -10.1302 -10.1302 -4.6510 -4.6510 -4.3326 -4.3326 -4.2126 -4.2126 -2.4325 -2.4325 -2.0944 -2.0944 -1.9955 -1.9955 -1.8322 -1.8322 -1.7897 -1.7897 -1.4934 -1.4934 -1.3991 -1.3991 -1.3242 -1.3242 -1.2803 -1.2803 -1.2486 -1.2486 -1.1456 -1.1456 -0.9275 -0.9275 -0.8631 -0.8631 -0.5630 -0.5630 -0.1707 -0.1707 -0.1293 -0.1293 -0.0518 -0.0518 -0.0439 -0.0439 0.0179 0.0179 0.0779 0.0779 0.1922 0.1922 2.9639 2.9639 3.6043 3.6043 k = 0.3750 0.2165 0.6124 ( 9350 PWs) bands (ev): -14.9103 -14.9103 -13.7944 -13.7944 -13.7348 -13.7348 -13.6916 -13.6916 -13.5072 -13.5072 -13.3994 -13.3994 -11.7069 -11.7069 -11.7018 -11.7018 -10.1289 -10.1289 -4.6460 -4.6460 -4.3299 -4.3299 -4.2169 -4.2169 -2.4505 -2.4505 -2.1029 -2.1029 -1.9784 -1.9784 -1.8188 -1.8188 -1.7743 -1.7743 -1.4975 -1.4975 -1.4010 -1.4010 -1.3340 -1.3340 -1.2656 -1.2656 -1.2547 -1.2547 -1.1566 -1.1566 -0.9343 -0.9343 -0.8781 -0.8781 -0.5513 -0.5513 -0.1748 -0.1748 -0.1353 -0.1353 -0.0466 -0.0466 -0.0415 -0.0415 0.0159 0.0159 0.0761 0.0761 0.1952 0.1952 2.9721 2.9721 3.6097 3.6097 k = 0.6250-0.0722 0.4082 ( 9350 PWs) bands (ev): -14.9103 -14.9103 -13.7944 -13.7944 -13.7348 -13.7348 -13.6916 -13.6916 -13.5072 -13.5072 -13.3994 -13.3994 -11.7069 -11.7069 -11.7018 -11.7018 -10.1289 -10.1289 -4.6460 -4.6460 -4.3299 -4.3299 -4.2169 -4.2169 -2.4505 -2.4505 -2.1029 -2.1029 -1.9784 -1.9784 -1.8188 -1.8188 -1.7743 -1.7743 -1.4975 -1.4975 -1.4010 -1.4010 -1.3340 -1.3340 -1.2656 -1.2656 -1.2547 -1.2547 -1.1566 -1.1566 -0.9343 -0.9343 -0.8781 -0.8781 -0.5513 -0.5513 -0.1748 -0.1748 -0.1353 -0.1353 -0.0466 -0.0466 -0.0415 -0.0415 0.0159 0.0159 0.0761 0.0761 0.1952 0.1952 2.9721 2.9721 3.6097 3.6097 k = 0.6136-0.0919 0.4082 ( 9360 PWs) bands (ev): -14.9098 -14.9098 -13.7873 -13.7873 -13.7354 -13.7354 -13.6962 -13.6962 -13.5160 -13.5160 -13.3940 -13.3940 -11.7073 -11.7073 -11.7014 -11.7014 -10.1275 -10.1275 -4.6392 -4.6392 -4.3257 -4.3257 -4.2229 -4.2229 -2.4800 -2.4800 -2.1184 -2.1184 -1.9477 -1.9477 -1.7960 -1.7960 -1.7464 -1.7464 -1.5134 -1.5134 -1.4154 -1.4154 -1.3498 -1.3498 -1.2638 -1.2638 -1.2241 -1.2241 -1.1705 -1.1705 -0.9466 -0.9466 -0.9033 -0.9033 -0.5313 -0.5313 -0.1839 -0.1839 -0.1448 -0.1448 -0.0408 -0.0408 -0.0312 -0.0312 0.0131 0.0131 0.0732 0.0732 0.1973 0.1973 2.9828 2.9828 3.6163 3.6163 k = 0.6023-0.1115 0.4082 ( 9352 PWs) bands (ev): -14.9094 -14.9094 -13.7799 -13.7799 -13.7359 -13.7359 -13.7006 -13.7006 -13.5248 -13.5248 -13.3889 -13.3889 -11.7076 -11.7076 -11.7010 -11.7010 -10.1264 -10.1264 -4.6331 -4.6331 -4.3222 -4.3222 -4.2275 -4.2275 -2.5084 -2.5084 -2.1332 -2.1332 -1.9155 -1.9155 -1.7737 -1.7737 -1.7192 -1.7192 -1.5285 -1.5285 -1.4309 -1.4309 -1.3685 -1.3685 -1.2656 -1.2656 -1.1887 -1.1887 -1.1814 -1.1814 -0.9603 -0.9603 -0.9264 -0.9264 -0.5123 -0.5123 -0.1934 -0.1934 -0.1536 -0.1536 -0.0359 -0.0359 -0.0195 -0.0195 0.0107 0.0107 0.0704 0.0704 0.1977 0.1977 2.9917 2.9917 3.6211 3.6211 k = 0.5909-0.1312 0.4082 ( 9366 PWs) bands (ev): -14.9092 -14.9092 -13.7724 -13.7724 -13.7362 -13.7362 -13.7045 -13.7045 -13.5337 -13.5337 -13.3841 -13.3841 -11.7080 -11.7080 -11.7007 -11.7007 -10.1255 -10.1255 -4.6279 -4.6279 -4.3193 -4.3193 -4.2307 -4.2307 -2.5352 -2.5352 -2.1468 -2.1468 -1.8826 -1.8826 -1.7518 -1.7518 -1.6929 -1.6929 -1.5426 -1.5426 -1.4472 -1.4472 -1.3890 -1.3890 -1.2663 -1.2663 -1.1898 -1.1898 -1.1547 -1.1547 -0.9779 -0.9779 -0.9446 -0.9446 -0.4944 -0.4944 -0.2032 -0.2032 -0.1618 -0.1618 -0.0314 -0.0314 -0.0074 -0.0074 0.0086 0.0086 0.0677 0.0677 0.1965 0.1965 2.9990 2.9990 3.6242 3.6242 k = 0.5795-0.1509 0.4082 ( 9370 PWs) bands (ev): -14.9091 -14.9091 -13.7650 -13.7650 -13.7362 -13.7362 -13.7081 -13.7081 -13.5424 -13.5424 -13.3797 -13.3797 -11.7083 -11.7083 -11.7004 -11.7004 -10.1249 -10.1249 -4.6236 -4.6236 -4.3171 -4.3171 -4.2325 -4.2325 -2.5600 -2.5600 -2.1590 -2.1590 -1.8496 -1.8496 -1.7301 -1.7301 -1.6680 -1.6680 -1.5556 -1.5556 -1.4641 -1.4641 -1.4106 -1.4106 -1.2653 -1.2653 -1.1962 -1.1962 -1.1232 -1.1232 -1.0003 -1.0003 -0.9567 -0.9567 -0.4779 -0.4779 -0.2128 -0.2128 -0.1691 -0.1691 -0.0273 -0.0273 0.0045 0.0045 0.0071 0.0071 0.0652 0.0652 0.1942 0.1942 3.0045 3.0045 3.6259 3.6259 k = 0.5682-0.1706 0.4082 ( 9376 PWs) bands (ev): -14.9091 -14.9091 -13.7583 -13.7583 -13.7356 -13.7356 -13.7112 -13.7112 -13.5509 -13.5509 -13.3758 -13.3758 -11.7086 -11.7086 -11.7001 -11.7001 -10.1245 -10.1245 -4.6204 -4.6204 -4.3154 -4.3154 -4.2331 -4.2331 -2.5825 -2.5825 -2.1697 -2.1697 -1.8169 -1.8169 -1.7088 -1.7088 -1.6450 -1.6450 -1.5674 -1.5674 -1.4817 -1.4817 -1.4328 -1.4328 -1.2625 -1.2625 -1.2010 -1.2010 -1.0954 -1.0954 -1.0246 -1.0246 -0.9647 -0.9647 -0.4630 -0.4630 -0.2219 -0.2219 -0.1757 -0.1757 -0.0239 -0.0239 0.0059 0.0059 0.0160 0.0160 0.0628 0.0628 0.1909 0.1909 3.0083 3.0083 3.6265 3.6265 k = 0.5568-0.1903 0.4082 ( 9370 PWs) bands (ev): -14.9092 -14.9092 -13.7529 -13.7529 -13.7340 -13.7340 -13.7137 -13.7137 -13.5588 -13.5588 -13.3724 -13.3724 -11.7089 -11.7089 -11.6998 -11.6998 -10.1242 -10.1242 -4.6179 -4.6179 -4.3142 -4.3142 -4.2328 -4.2328 -2.6023 -2.6023 -2.1789 -2.1789 -1.7850 -1.7850 -1.6877 -1.6877 -1.6244 -1.6244 -1.5780 -1.5780 -1.4997 -1.4997 -1.4552 -1.4552 -1.2577 -1.2577 -1.2044 -1.2044 -1.0746 -1.0746 -1.0467 -1.0467 -0.9699 -0.9699 -0.4499 -0.4499 -0.2303 -0.2303 -0.1813 -0.1813 -0.0211 -0.0211 0.0054 0.0054 0.0266 0.0266 0.0608 0.0608 0.1871 0.1871 3.0109 3.0109 3.6265 3.6265 k = 0.5455-0.2099 0.4082 ( 9374 PWs) bands (ev): -14.9092 -14.9092 -13.7493 -13.7493 -13.7313 -13.7313 -13.7157 -13.7157 -13.5661 -13.5661 -13.3696 -13.3696 -11.7091 -11.7091 -11.6996 -11.6996 -10.1241 -10.1241 -4.6162 -4.6162 -4.3133 -4.3133 -4.2318 -4.2318 -2.6189 -2.6189 -2.1864 -2.1864 -1.7543 -1.7543 -1.6669 -1.6669 -1.6065 -1.6065 -1.5875 -1.5875 -1.5177 -1.5177 -1.4775 -1.4775 -1.2509 -1.2509 -1.2065 -1.2065 -1.0815 -1.0815 -1.0458 -1.0458 -0.9724 -0.9724 -0.4388 -0.4388 -0.2378 -0.2378 -0.1860 -0.1860 -0.0191 -0.0191 0.0054 0.0054 0.0361 0.0361 0.0591 0.0591 0.1830 0.1830 3.0123 3.0123 3.6262 3.6262 k = 0.5341-0.2296 0.4082 ( 9372 PWs) bands (ev): -14.9093 -14.9093 -13.7474 -13.7474 -13.7280 -13.7280 -13.7168 -13.7168 -13.5723 -13.5723 -13.3674 -13.3674 -11.7093 -11.7093 -11.6994 -11.6994 -10.1240 -10.1240 -4.6151 -4.6151 -4.3127 -4.3127 -4.2307 -4.2307 -2.6323 -2.6323 -2.1922 -2.1922 -1.7253 -1.7253 -1.6469 -1.6469 -1.5968 -1.5968 -1.5915 -1.5915 -1.5350 -1.5350 -1.4995 -1.4995 -1.2427 -1.2427 -1.2071 -1.2071 -1.1037 -1.1037 -1.0340 -1.0340 -0.9723 -0.9723 -0.4300 -0.4300 -0.2439 -0.2439 -0.1897 -0.1897 -0.0178 -0.0178 0.0057 0.0057 0.0440 0.0440 0.0578 0.0578 0.1791 0.1791 3.0130 3.0130 3.6258 3.6258 k = 0.5227-0.2493 0.4082 ( 9372 PWs) bands (ev): -14.9094 -14.9094 -13.7466 -13.7466 -13.7253 -13.7253 -13.7171 -13.7171 -13.5772 -13.5772 -13.3658 -13.3658 -11.7094 -11.7094 -11.6993 -11.6993 -10.1239 -10.1239 -4.6144 -4.6144 -4.3122 -4.3122 -4.2297 -4.2297 -2.6420 -2.6420 -2.1964 -2.1964 -1.6986 -1.6986 -1.6287 -1.6287 -1.6054 -1.6054 -1.5802 -1.5802 -1.5499 -1.5499 -1.5205 -1.5205 -1.2344 -1.2344 -1.2055 -1.2055 -1.1253 -1.1253 -1.0262 -1.0262 -0.9703 -0.9703 -0.4235 -0.4235 -0.2486 -0.2486 -0.1923 -0.1923 -0.0171 -0.0171 0.0061 0.0061 0.0497 0.0497 0.0572 0.0572 0.1759 0.1759 3.0133 3.0133 3.6254 3.6254 k = 0.5114-0.2690 0.4082 ( 9380 PWs) bands (ev): -14.9094 -14.9094 -13.7462 -13.7462 -13.7241 -13.7241 -13.7165 -13.7165 -13.5803 -13.5803 -13.3648 -13.3648 -11.7095 -11.7095 -11.6992 -11.6992 -10.1239 -10.1239 -4.6141 -4.6141 -4.3119 -4.3119 -4.2290 -4.2290 -2.6479 -2.6479 -2.1990 -2.1990 -1.6763 -1.6763 -1.6218 -1.6218 -1.6075 -1.6075 -1.5712 -1.5712 -1.5601 -1.5601 -1.5395 -1.5395 -1.2286 -1.2286 -1.2011 -1.2011 -1.1427 -1.1427 -1.0224 -1.0224 -0.9680 -0.9680 -0.4196 -0.4196 -0.2514 -0.2514 -0.1939 -0.1939 -0.0167 -0.0167 0.0064 0.0064 0.0526 0.0526 0.0576 0.0576 0.1738 0.1738 3.0133 3.0133 3.6251 3.6251 k = 0.5000-0.2887 0.4082 ( 9384 PWs) bands (ev): -14.9095 -14.9095 -13.7461 -13.7461 -13.7238 -13.7238 -13.7162 -13.7162 -13.5813 -13.5813 -13.3645 -13.3645 -11.7095 -11.7095 -11.6992 -11.6992 -10.1239 -10.1239 -4.6140 -4.6140 -4.3119 -4.3119 -4.2287 -4.2287 -2.6498 -2.6498 -2.1998 -2.1998 -1.6656 -1.6656 -1.6267 -1.6267 -1.6026 -1.6026 -1.5651 -1.5651 -1.5637 -1.5637 -1.5503 -1.5503 -1.2267 -1.2267 -1.1979 -1.1979 -1.1503 -1.1503 -1.0212 -1.0212 -0.9670 -0.9670 -0.4183 -0.4183 -0.2524 -0.2524 -0.1945 -0.1945 -0.0166 -0.0166 0.0065 0.0065 0.0532 0.0532 0.0581 0.0581 0.1730 0.1730 3.0133 3.0133 3.6251 3.6251 Writing output data file TexNCl3x2.save init_run : 0.47s CPU 0.65s WALL ( 1 calls) electrons : 232.92s CPU 235.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 232.92s CPU 235.29s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.11s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.07s WALL ( 210 calls) cegterg : 212.60s CPU 214.38s WALL ( 213 calls) Called by sum_band: Called by *egterg: h_psi : 131.00s CPU 132.97s WALL ( 4007 calls) s_psi : 7.65s CPU 7.69s WALL ( 4007 calls) g_psi : 0.17s CPU 0.19s WALL ( 3584 calls) cdiaghg : 69.10s CPU 69.09s WALL ( 3794 calls) cegterg:over : 9.47s CPU 9.54s WALL ( 3584 calls) cegterg:upda : 5.86s CPU 5.83s WALL ( 3584 calls) cegterg:last : 3.64s CPU 3.67s WALL ( 633 calls) cdiaghg:chol : 2.72s CPU 2.84s WALL ( 3794 calls) cdiaghg:inve : 1.90s CPU 1.98s WALL ( 3794 calls) cdiaghg:para : 4.32s CPU 4.23s WALL ( 7588 calls) Called by h_psi: h_psi:vloc : 113.82s CPU 115.67s WALL ( 4007 calls) h_psi:vnl : 17.00s CPU 17.12s WALL ( 4007 calls) add_vuspsi : 8.91s CPU 8.92s WALL ( 4007 calls) General routines calbec : 8.05s CPU 8.19s WALL ( 4007 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 108.48s CPU 110.13s WALL ( 568248 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.10s CPU 0.19s WALL ( 420 calls) Parallel routines fft_scatter : 73.60s CPU 74.98s WALL ( 568271 calls) PWSCF : 4m31.40s CPU 4m45.46s WALL This run was terminated on: 8:25:26 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=