Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:29:51 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: ./NixN3Clx2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 2379 1023 151 Max 57 33 10 2385 1042 155 Sum 4069 2335 649 171471 74249 10969 bravais-lattice index = 14 lattice parameter (alat) = 13.5628 a.u. unit-cell volume = 1764.1465 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 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)= 13.562816 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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) Ni 10.00 58.69340 Ni( 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 0.2954545 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 0.2954545 0.5909091), wk = 0.0047619 k( 70) = ( 0.2840909 0.2840909 0.5681818), wk = 0.0047619 k( 71) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0047619 k( 72) = ( 0.2613636 0.2613636 0.5227273), wk = 0.0047619 k( 73) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0047619 k( 74) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0047619 k( 75) = ( 0.2272727 0.2272727 0.4545455), wk = 0.0047619 k( 76) = ( 0.2159091 0.2159091 0.4318182), wk = 0.0047619 k( 77) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0047619 k( 78) = ( 0.1931818 0.1931818 0.3863636), wk = 0.0047619 k( 79) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0047619 k( 80) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0047619 k( 81) = ( 0.1590909 0.1590909 0.3181818), wk = 0.0047619 k( 82) = ( 0.1477273 0.1477273 0.2954545), wk = 0.0047619 k( 83) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0047619 k( 84) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0047619 k( 85) = ( 0.1136364 0.1136364 0.2272727), wk = 0.0047619 k( 86) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0047619 k( 87) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0047619 k( 88) = ( 0.0795455 0.0795455 0.1590909), wk = 0.0047619 k( 89) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0047619 k( 90) = ( 0.0568182 0.0568182 0.1136364), wk = 0.0047619 k( 91) = ( 0.0454546 0.0454546 0.0909091), wk = 0.0047619 k( 92) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0047619 k( 93) = ( 0.0227273 0.0227273 0.0454546), wk = 0.0047619 k( 94) = ( 0.0113636 0.0113636 0.0227273), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0047619 k( 98) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0047619 k( 99) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0047619 k( 100) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0047619 k( 101) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0047619 k( 102) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0047619 k( 103) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0047619 k( 104) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0047619 k( 105) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0047619 k( 106) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0047619 k( 107) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0047619 k( 108) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0047619 k( 109) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0047619 k( 110) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0047619 k( 111) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0047619 k( 112) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0047619 k( 113) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0047619 k( 114) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 115) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0047619 k( 116) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0047619 k( 117) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0047619 k( 118) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0047619 k( 119) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0047619 k( 120) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0047619 k( 121) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0047619 k( 122) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0047619 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 125) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0047619 k( 126) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0047619 k( 127) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0047619 k( 128) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0047619 k( 129) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0047619 k( 130) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0047619 k( 131) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0047619 k( 132) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0047619 k( 133) = ( 0.5592105 0.3815789 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 0.6704545), wk = 0.0047619 k( 149) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0047619 k( 150) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0047619 k( 151) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0047619 k( 152) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0047619 k( 153) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0047619 k( 154) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0047619 k( 155) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 156) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 157) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0047619 k( 158) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0047619 k( 159) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0047619 k( 160) = ( 0.5000000 0.2954545 0.7045455), wk = 0.0047619 k( 161) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0047619 k( 162) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0047619 k( 163) = ( 0.5000000 0.3295455 0.6704545), wk = 0.0047619 k( 164) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0047619 k( 165) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0047619 k( 166) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0047619 k( 167) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0047619 k( 168) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0047619 k( 169) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0047619 k( 170) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0047619 k( 171) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0047619 k( 172) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0047619 k( 173) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0047619 k( 174) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0047619 k( 175) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0047619 k( 176) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0047619 k( 177) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0047619 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 180) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0047619 k( 181) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0047619 k( 182) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0047619 k( 183) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0047619 k( 184) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0047619 k( 185) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0047619 k( 186) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0047619 k( 187) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0047619 k( 188) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0047619 k( 189) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0047619 k( 190) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0047619 k( 191) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0047619 k( 192) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0047619 k( 193) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0047619 k( 194) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0047619 k( 195) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0047619 k( 196) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0047619 k( 197) = ( 0.3815789 0.3815789 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 0.2045455 0.6022727), wk = 0.0047619 k( 202) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0047619 k( 203) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0047619 k( 204) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0047619 k( 205) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0047619 k( 206) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0047619 k( 207) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0047619 k( 208) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0047619 k( 209) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0047619 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 Dense grid: 171471 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 74249 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 264, 64) NL pseudopotentials 0.37 Mb ( 132, 186) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2380) G-vector shells 0.01 Mb ( 790) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.03 Mb ( 264, 256) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.36 Mb ( 186, 2, 64) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./NixN3Clx2.save/charge-density.dat Starting wfc are 82 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 7.7 secs Computing kpt #: 7 total cpu time spent up to now is 8.7 secs Computing kpt #: 8 total cpu time spent up to now is 9.4 secs Computing kpt #: 9 total cpu time spent up to now is 10.3 secs Computing kpt #: 10 total cpu time spent up to now is 11.2 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 14.0 secs Computing kpt #: 14 total cpu time spent up to now is 14.9 secs Computing kpt #: 15 total cpu time spent up to now is 15.7 secs Computing kpt #: 16 total cpu time spent up to now is 16.6 secs Computing kpt #: 17 total cpu time spent up to now is 17.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.4 secs Computing kpt #: 19 total cpu time spent up to now is 19.4 secs Computing kpt #: 20 total cpu time spent up to now is 20.1 secs Computing kpt #: 21 total cpu time spent up to now is 21.0 secs Computing kpt #: 22 total cpu time spent up to now is 21.8 secs Computing kpt #: 23 total cpu time spent up to now is 22.7 secs Computing kpt #: 24 total cpu time spent up to now is 23.6 secs Computing kpt #: 25 total cpu time spent up to now is 24.7 secs Computing kpt #: 26 total cpu time spent up to now is 25.5 secs Computing kpt #: 27 total cpu time spent up to now is 26.2 secs Computing kpt #: 28 total cpu time spent up to now is 27.1 secs Computing kpt #: 29 total cpu time spent up to now is 28.1 secs Computing kpt #: 30 total cpu time spent up to now is 28.8 secs Computing kpt #: 31 total cpu time spent up to now is 29.7 secs Computing kpt #: 32 total cpu time spent up to now is 30.7 secs Computing kpt #: 33 total cpu time spent up to now is 31.6 secs Computing kpt #: 34 total cpu time spent up to now is 32.5 secs Computing kpt #: 35 total cpu time spent up to now is 33.3 secs Computing kpt #: 36 total cpu time spent up to now is 34.2 secs Computing kpt #: 37 total cpu time spent up to now is 34.9 secs Computing kpt #: 38 total cpu time spent up to now is 35.6 secs Computing kpt #: 39 total cpu time spent up to now is 36.6 secs Computing kpt #: 40 total cpu time spent up to now is 37.3 secs Computing kpt #: 41 total cpu time spent up to now is 38.1 secs Computing kpt #: 42 total cpu time spent up to now is 38.8 secs Computing kpt #: 43 total cpu time spent up to now is 39.6 secs Computing kpt #: 44 total cpu time spent up to now is 40.3 secs Computing kpt #: 45 total cpu time spent up to now is 41.0 secs Computing kpt #: 46 total cpu time spent up to now is 41.8 secs Computing kpt #: 47 total cpu time spent up to now is 42.5 secs Computing kpt #: 48 total cpu time spent up to now is 43.3 secs Computing kpt #: 49 total cpu time spent up to now is 44.0 secs Computing kpt #: 50 total cpu time spent up to now is 44.8 secs Computing kpt #: 51 total cpu time spent up to now is 45.7 secs Computing kpt #: 52 total cpu time spent up to now is 46.5 secs Computing kpt #: 53 total cpu time spent up to now is 47.4 secs Computing kpt #: 54 total cpu time spent up to now is 48.1 secs Computing kpt #: 55 total cpu time spent up to now is 48.9 secs Computing kpt #: 56 total cpu time spent up to now is 49.6 secs Computing kpt #: 57 total cpu time spent up to now is 50.5 secs Computing kpt #: 58 total cpu time spent up to now is 51.2 secs Computing kpt #: 59 total cpu time spent up to now is 52.0 secs Computing kpt #: 60 total cpu time spent up to now is 52.7 secs Computing kpt #: 61 total cpu time spent up to now is 53.5 secs Computing kpt #: 62 total cpu time spent up to now is 54.4 secs Computing kpt #: 63 total cpu time spent up to now is 55.1 secs Computing kpt #: 64 total cpu time spent up to now is 56.0 secs Computing kpt #: 65 total cpu time spent up to now is 56.8 secs Computing kpt #: 66 total cpu 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Computing kpt #: 82 total cpu time spent up to now is 72.1 secs Computing kpt #: 83 total cpu time spent up to now is 73.0 secs Computing kpt #: 84 total cpu time spent up to now is 73.9 secs Computing kpt #: 85 total cpu time spent up to now is 74.8 secs Computing kpt #: 86 total cpu time spent up to now is 75.6 secs Computing kpt #: 87 total cpu time spent up to now is 76.4 secs Computing kpt #: 88 total cpu time spent up to now is 77.4 secs Computing kpt #: 89 total cpu time spent up to now is 78.3 secs Computing kpt #: 90 total cpu time spent up to now is 79.1 secs Computing kpt #: 91 total cpu time spent up to now is 79.8 secs Computing kpt #: 92 total cpu time spent up to now is 80.6 secs Computing kpt #: 93 total cpu time spent up to now is 81.5 secs Computing kpt #: 94 total cpu time spent up to now is 82.2 secs Computing kpt #: 95 total cpu time spent up to now is 83.0 secs Computing kpt #: 96 total cpu time spent up to now is 83.8 secs Computing kpt #: 97 total cpu time spent up to now is 84.5 secs Computing kpt #: 98 total cpu time spent up to now is 85.3 secs Computing kpt #: 99 total cpu time spent up to now is 86.2 secs Computing kpt #: 100 total cpu time spent up to now is 87.0 secs Computing kpt #: 101 total cpu time spent up to now is 87.7 secs Computing kpt #: 102 total cpu time spent up to now is 88.5 secs Computing kpt #: 103 total cpu time spent up to now is 89.4 secs Computing kpt #: 104 total cpu time spent up to now is 90.3 secs Computing kpt #: 105 total cpu time spent up to now is 91.2 secs Computing kpt #: 106 total cpu time spent up to now is 92.0 secs Computing kpt #: 107 total cpu time spent up to now is 92.7 secs Computing kpt #: 108 total cpu time spent up to now is 93.7 secs Computing kpt #: 109 total cpu time spent up to now is 94.6 secs Computing kpt #: 110 total cpu time spent up to now is 95.5 secs Computing kpt #: 111 total cpu time spent up to now is 96.4 secs Computing kpt #: 112 total cpu time spent up to now is 97.3 secs Computing kpt #: 113 total cpu time spent up to now is 98.2 secs Computing kpt #: 114 total cpu time spent up to now is 99.1 secs Computing kpt #: 115 total cpu time spent up to now is 99.9 secs Computing kpt #: 116 total cpu time spent up to now is 100.8 secs Computing kpt #: 117 total cpu time spent up to now is 101.7 secs Computing kpt #: 118 total cpu time spent up to now is 102.4 secs Computing kpt #: 119 total cpu time spent up to now is 103.5 secs Computing kpt #: 120 total cpu time spent up to now is 104.2 secs Computing kpt #: 121 total cpu time spent up to now is 105.1 secs Computing kpt #: 122 total cpu time spent up to now is 105.9 secs Computing kpt #: 123 total cpu time spent up to now is 106.6 secs Computing kpt #: 124 total cpu time spent up to now is 107.4 secs Computing kpt #: 125 total cpu time spent up to now is 108.2 secs Computing kpt #: 126 total cpu time spent up to now is 109.2 secs Computing kpt #: 127 total cpu time spent up to now is 109.9 secs Computing kpt #: 128 total cpu time spent up to now is 110.8 secs Computing kpt #: 129 total cpu time spent up to now is 111.6 secs Computing kpt #: 130 total cpu time spent up to now is 112.3 secs Computing kpt #: 131 total cpu time spent up to now is 113.1 secs Computing kpt #: 132 total cpu time spent up to now is 113.9 secs Computing kpt #: 133 total cpu time spent up to now is 114.6 secs Computing kpt #: 134 total cpu time spent up to now is 115.5 secs Computing kpt #: 135 total cpu time spent up to now is 116.2 secs Computing kpt #: 136 total cpu time spent up to now is 117.4 secs Computing kpt #: 137 total cpu time spent up to now is 118.5 secs Computing kpt #: 138 total cpu time spent up to now is 119.2 secs Computing kpt #: 139 total cpu time spent up to now is 120.1 secs Computing kpt #: 140 total cpu time spent up to now is 120.9 secs Computing kpt #: 141 total cpu time spent up to now is 121.6 secs Computing kpt #: 142 total cpu time spent up to now is 122.7 secs Computing kpt #: 143 total cpu time spent up to now is 123.5 secs Computing kpt #: 144 total cpu time spent up to now is 124.3 secs Computing kpt #: 145 total cpu time spent up to now is 125.0 secs Computing kpt #: 146 total cpu time spent up to now is 125.9 secs Computing kpt #: 147 total cpu time spent up to now is 126.6 secs Computing kpt #: 148 total cpu time spent up to now is 127.5 secs Computing kpt #: 149 total cpu time spent up to now is 128.3 secs Computing kpt #: 150 total cpu time spent up to now is 129.0 secs Computing kpt #: 151 total cpu time spent up to now is 129.8 secs Computing kpt #: 152 total cpu time spent up to now is 130.5 secs Computing kpt #: 153 total cpu time spent up to now is 131.4 secs Computing kpt #: 154 total cpu time spent up to now is 132.2 secs Computing kpt #: 155 total cpu time spent up to now is 133.1 secs Computing kpt #: 156 total cpu time spent up to now is 134.0 secs Computing kpt #: 157 total cpu time spent up to now is 134.9 secs Computing kpt #: 158 total cpu time spent up to now is 135.7 secs Computing kpt #: 159 total cpu time spent up to now is 136.4 secs Computing kpt #: 160 total cpu time spent up to now is 137.2 secs Computing kpt #: 161 total cpu time spent up to now is 137.9 secs Computing kpt #: 162 total cpu time spent up to now is 138.8 secs Computing kpt #: 163 total cpu time spent up to now is 139.5 secs Computing kpt #: 164 total cpu time spent up to now is 140.4 secs Computing kpt #: 165 total cpu time spent up to now is 141.3 secs Computing kpt #: 166 total cpu time spent up to now is 142.1 secs Computing kpt #: 167 total cpu time spent up to now is 142.9 secs Computing kpt #: 168 total cpu time spent up to now is 143.7 secs Computing kpt #: 169 total cpu time spent up to now is 144.5 secs Computing kpt #: 170 total cpu time spent up to now is 145.4 secs Computing kpt #: 171 total cpu time spent up to now is 146.2 secs Computing kpt #: 172 total cpu time spent up to now is 146.9 secs Computing kpt #: 173 total cpu time spent up to now is 147.8 secs Computing kpt #: 174 total cpu time spent up to now is 148.7 secs Computing kpt #: 175 total cpu time spent up to now is 149.6 secs Computing kpt #: 176 total cpu time spent up to now is 150.5 secs Computing kpt #: 177 total cpu time spent up to now is 151.3 secs Computing kpt #: 178 total cpu time spent up to now is 152.2 secs Computing kpt #: 179 total cpu time spent up to now is 152.9 secs Computing kpt #: 180 total cpu time spent up to now is 153.7 secs Computing kpt #: 181 total cpu time spent up to now is 154.4 secs Computing kpt #: 182 total cpu time spent up to now is 155.1 secs Computing kpt #: 183 total cpu time spent up to now is 155.9 secs Computing kpt #: 184 total cpu time spent up to now is 156.8 secs Computing kpt #: 185 total cpu time spent up to now is 157.6 secs Computing kpt #: 186 total cpu time spent up to now is 158.6 secs Computing kpt #: 187 total cpu time spent up to now is 159.3 secs Computing kpt #: 188 total cpu time spent up to now is 160.1 secs Computing kpt #: 189 total cpu time spent up to now is 161.0 secs Computing kpt #: 190 total cpu time spent up to now is 161.9 secs Computing kpt #: 191 total cpu time spent up to now is 162.8 secs Computing kpt #: 192 total cpu time spent up to now is 163.6 secs Computing kpt #: 193 total cpu time spent up to now is 164.3 secs Computing kpt #: 194 total cpu time spent up to now is 165.2 secs Computing kpt #: 195 total cpu time spent up to now is 166.1 secs Computing kpt #: 196 total cpu time spent up to now is 167.0 secs Computing kpt #: 197 total cpu time spent up to now is 167.9 secs Computing kpt #: 198 total cpu time spent up to now is 168.7 secs Computing kpt #: 199 total cpu time spent up to now is 169.6 secs Computing kpt #: 200 total cpu time spent up to now is 170.4 secs Computing kpt #: 201 total cpu time spent up to now is 171.2 secs Computing kpt #: 202 total cpu time spent up to now is 172.0 secs Computing kpt #: 203 total cpu time spent up to now is 172.7 secs Computing kpt #: 204 total cpu time spent up to now is 173.6 secs Computing kpt #: 205 total cpu time spent up to now is 174.5 secs Computing kpt #: 206 total cpu time spent up to now is 175.3 secs Computing kpt #: 207 total cpu time spent up to now is 176.2 secs Computing kpt #: 208 total cpu time spent up to now is 176.9 secs Computing kpt #: 209 total cpu time spent up to now is 177.8 secs Computing kpt #: 210 total cpu time spent up to now is 178.6 secs ethr = 1.85E-08, avg # of iterations = 13.8 total cpu time spent up to now is 178.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9377 PWs) bands (ev): -15.8055 -15.8055 -15.3513 -15.3513 -15.2716 -15.2716 -14.6903 -14.6903 -14.6816 -14.6816 -14.6816 -14.6816 -14.4656 -14.4656 -14.4656 -14.4656 -5.8259 -5.8259 -5.8259 -5.8259 -5.6453 -5.6453 -5.6453 -5.6453 -5.5930 -5.5930 -5.3738 -5.3738 -4.2988 -4.2988 -4.2718 -4.2718 -4.2718 -4.2718 -3.6802 -3.6802 -3.6341 -3.6341 -3.6341 -3.6341 -3.2870 -3.2870 -3.1874 -3.1874 -3.1874 -3.1874 -2.6065 -2.6065 -2.6065 -2.6065 -2.5965 -2.5965 -2.3477 -2.3477 -2.3401 -2.3401 -2.3401 -2.3401 -2.2446 -2.2446 -2.2038 -2.2038 -2.2038 -2.2038 k = 0.0161-0.0093 0.0132 ( 9361 PWs) bands (ev): -15.8053 -15.8053 -15.3513 -15.3513 -15.2718 -15.2718 -14.6903 -14.6903 -14.6816 -14.6816 -14.6815 -14.6815 -14.4656 -14.4656 -14.4656 -14.4656 -5.8260 -5.8260 -5.8259 -5.8259 -5.6451 -5.6451 -5.6451 -5.6451 -5.5928 -5.5928 -5.3735 -5.3735 -4.2983 -4.2983 -4.2714 -4.2714 -4.2713 -4.2713 -3.6800 -3.6800 -3.6340 -3.6340 -3.6336 -3.6336 -3.2873 -3.2873 -3.1877 -3.1877 -3.1877 -3.1877 -2.6066 -2.6066 -2.6066 -2.6066 -2.5966 -2.5966 -2.3481 -2.3481 -2.3408 -2.3408 -2.3406 -2.3406 -2.2448 -2.2448 -2.2044 -2.2044 -2.2039 -2.2039 k = 0.0323-0.0186 0.0263 ( 9341 PWs) bands (ev): -15.8047 -15.8047 -15.3513 -15.3513 -15.2726 -15.2726 -14.6903 -14.6903 -14.6816 -14.6816 -14.6814 -14.6814 -14.4658 -14.4658 -14.4656 -14.4656 -5.8263 -5.8263 -5.8258 -5.8258 -5.6448 -5.6448 -5.6448 -5.6448 -5.5923 -5.5923 -5.3727 -5.3727 -4.2971 -4.2971 -4.2704 -4.2704 -4.2699 -4.2699 -3.6793 -3.6793 -3.6336 -3.6336 -3.6321 -3.6321 -3.2881 -3.2881 -3.1885 -3.1885 -3.1884 -3.1884 -2.6069 -2.6069 -2.6068 -2.6068 -2.5968 -2.5968 -2.3496 -2.3496 -2.3428 -2.3428 -2.3423 -2.3423 -2.2455 -2.2455 -2.2062 -2.2062 -2.2043 -2.2043 k = 0.0484-0.0279 0.0395 ( 9329 PWs) bands (ev): -15.8036 -15.8036 -15.3514 -15.3514 -15.2738 -15.2738 -14.6902 -14.6902 -14.6817 -14.6817 -14.6812 -14.6812 -14.4660 -14.4660 -14.4655 -14.4655 -5.8268 -5.8268 -5.8257 -5.8257 -5.6443 -5.6443 -5.6441 -5.6441 -5.5915 -5.5915 -5.3712 -5.3712 -4.2950 -4.2950 -4.2686 -4.2686 -4.2676 -4.2676 -3.6782 -3.6782 -3.6330 -3.6330 -3.6296 -3.6296 -3.2894 -3.2894 -3.1898 -3.1898 -3.1896 -3.1896 -2.6075 -2.6075 -2.6071 -2.6071 -2.5971 -2.5971 -2.3523 -2.3523 -2.3458 -2.3458 -2.3451 -2.3451 -2.2468 -2.2468 -2.2090 -2.2090 -2.2048 -2.2048 k = 0.0645-0.0372 0.0527 ( 9329 PWs) bands (ev): -15.8022 -15.8022 -15.3515 -15.3515 -15.2755 -15.2755 -14.6902 -14.6902 -14.6817 -14.6817 -14.6810 -14.6810 -14.4663 -14.4663 -14.4655 -14.4655 -5.8275 -5.8275 -5.8255 -5.8255 -5.6437 -5.6437 -5.6433 -5.6433 -5.5904 -5.5904 -5.3692 -5.3692 -4.2921 -4.2921 -4.2662 -4.2662 -4.2644 -4.2644 -3.6767 -3.6767 -3.6322 -3.6322 -3.6259 -3.6259 -3.2913 -3.2913 -3.1916 -3.1916 -3.1913 -3.1913 -2.6083 -2.6083 -2.6075 -2.6075 -2.5976 -2.5976 -2.3567 -2.3567 -2.3495 -2.3495 -2.3489 -2.3489 -2.2491 -2.2491 -2.2123 -2.2123 -2.2056 -2.2056 k = 0.0806-0.0466 0.0658 ( 9321 PWs) bands (ev): -15.8003 -15.8003 -15.3517 -15.3517 -15.2776 -15.2776 -14.6901 -14.6901 -14.6818 -14.6818 -14.6806 -14.6806 -14.4667 -14.4667 -14.4654 -14.4654 -5.8284 -5.8284 -5.8253 -5.8253 -5.6428 -5.6428 -5.6423 -5.6423 -5.5889 -5.5889 -5.3667 -5.3667 -4.2884 -4.2884 -4.2630 -4.2630 -4.2603 -4.2603 -3.6751 -3.6751 -3.6311 -3.6311 -3.6211 -3.6211 -3.2936 -3.2936 -3.1939 -3.1939 -3.1935 -3.1935 -2.6093 -2.6093 -2.6081 -2.6081 -2.5981 -2.5981 -2.3631 -2.3631 -2.3537 -2.3537 -2.3535 -2.3535 -2.2530 -2.2530 -2.2157 -2.2157 -2.2066 -2.2066 k = 0.0968-0.0559 0.0790 ( 9333 PWs) bands (ev): -15.7981 -15.7981 -15.3519 -15.3519 -15.2803 -15.2803 -14.6900 -14.6900 -14.6819 -14.6819 -14.6802 -14.6802 -14.4672 -14.4672 -14.4654 -14.4654 -5.8295 -5.8295 -5.8251 -5.8251 -5.6418 -5.6418 -5.6411 -5.6411 -5.5872 -5.5872 -5.3636 -5.3636 -4.2839 -4.2839 -4.2593 -4.2593 -4.2553 -4.2553 -3.6732 -3.6732 -3.6298 -3.6298 -3.6151 -3.6151 -3.2965 -3.2965 -3.1967 -3.1967 -3.1961 -3.1961 -2.6105 -2.6105 -2.6087 -2.6087 -2.5987 -2.5987 -2.3713 -2.3713 -2.3595 -2.3595 -2.3579 -2.3579 -2.2589 -2.2589 -2.2186 -2.2186 -2.2076 -2.2076 k = 0.1129-0.0652 0.0922 ( 9325 PWs) bands (ev): -15.7954 -15.7954 -15.3521 -15.3521 -15.2833 -15.2833 -14.6900 -14.6900 -14.6821 -14.6821 -14.6797 -14.6797 -14.4678 -14.4678 -14.4653 -14.4653 -5.8308 -5.8308 -5.8248 -5.8248 -5.6405 -5.6405 -5.6397 -5.6397 -5.5852 -5.5852 -5.3600 -5.3600 -4.2788 -4.2788 -4.2549 -4.2549 -4.2494 -4.2494 -3.6712 -3.6712 -3.6283 -3.6283 -3.6077 -3.6077 -3.2999 -3.2999 -3.2000 -3.2000 -3.1993 -3.1993 -2.6120 -2.6120 -2.6093 -2.6093 -2.5993 -2.5993 -2.3812 -2.3812 -2.3661 -2.3661 -2.3628 -2.3628 -2.2670 -2.2670 -2.2207 -2.2207 -2.2088 -2.2088 k = 0.1290-0.0745 0.1054 ( 9321 PWs) bands (ev): -15.7924 -15.7924 -15.3524 -15.3524 -15.2868 -15.2868 -14.6900 -14.6900 -14.6822 -14.6822 -14.6791 -14.6791 -14.4685 -14.4685 -14.4652 -14.4652 -5.8322 -5.8322 -5.8245 -5.8245 -5.6391 -5.6391 -5.6381 -5.6381 -5.5830 -5.5830 -5.3560 -5.3560 -4.2730 -4.2730 -4.2499 -4.2499 -4.2427 -4.2427 -3.6692 -3.6692 -3.6265 -3.6265 -3.5991 -3.5991 -3.3038 -3.3038 -3.2036 -3.2036 -3.2029 -3.2029 -2.6138 -2.6138 -2.6100 -2.6100 -2.5998 -2.5998 -2.3926 -2.3926 -2.3735 -2.3735 -2.3683 -2.3683 -2.2773 -2.2773 -2.2219 -2.2219 -2.2100 -2.2100 k = 0.1452-0.0838 0.1185 ( 9297 PWs) bands (ev): -15.7891 -15.7891 -15.3526 -15.3526 -15.2907 -15.2907 -14.6900 -14.6900 -14.6824 -14.6824 -14.6784 -14.6784 -14.4692 -14.4692 -14.4651 -14.4651 -5.8339 -5.8339 -5.8242 -5.8242 -5.6375 -5.6375 -5.6363 -5.6363 -5.5805 -5.5805 -5.3515 -5.3515 -4.2667 -4.2667 -4.2443 -4.2443 -4.2352 -4.2352 -3.6671 -3.6671 -3.6245 -3.6245 -3.5891 -3.5891 -3.3082 -3.3082 -3.2078 -3.2078 -3.2070 -3.2070 -2.6157 -2.6157 -2.6107 -2.6107 -2.6003 -2.6003 -2.4054 -2.4054 -2.3815 -2.3815 -2.3745 -2.3745 -2.2894 -2.2894 -2.2226 -2.2226 -2.2112 -2.2112 k = 0.1613-0.0931 0.1317 ( 9309 PWs) bands (ev): -15.7854 -15.7854 -15.3529 -15.3529 -15.2949 -15.2949 -14.6900 -14.6900 -14.6826 -14.6826 -14.6776 -14.6776 -14.4700 -14.4700 -14.4650 -14.4650 -5.8357 -5.8357 -5.8239 -5.8239 -5.6358 -5.6358 -5.6344 -5.6344 -5.5778 -5.5778 -5.3466 -5.3466 -4.2598 -4.2598 -4.2382 -4.2382 -4.2270 -4.2270 -3.6650 -3.6650 -3.6223 -3.6223 -3.5779 -3.5779 -3.3131 -3.3131 -3.2122 -3.2122 -3.2115 -3.2115 -2.6179 -2.6179 -2.6113 -2.6113 -2.6007 -2.6007 -2.4197 -2.4197 -2.3902 -2.3902 -2.3812 -2.3812 -2.3030 -2.3030 -2.2228 -2.2228 -2.2125 -2.2125 k = 0.1774-0.1024 0.1449 ( 9313 PWs) bands (ev): -15.7814 -15.7814 -15.3532 -15.3532 -15.2995 -15.2995 -14.6901 -14.6901 -14.6828 -14.6828 -14.6767 -14.6767 -14.4708 -14.4708 -14.4649 -14.4649 -5.8377 -5.8377 -5.8235 -5.8235 -5.6340 -5.6340 -5.6324 -5.6324 -5.5749 -5.5749 -5.3414 -5.3414 -4.2524 -4.2524 -4.2317 -4.2317 -4.2180 -4.2180 -3.6629 -3.6629 -3.6199 -3.6199 -3.5654 -3.5654 -3.3183 -3.3183 -3.2171 -3.2171 -3.2165 -3.2165 -2.6203 -2.6203 -2.6119 -2.6119 -2.6009 -2.6009 -2.4352 -2.4352 -2.3995 -2.3995 -2.3885 -2.3885 -2.3179 -2.3179 -2.2228 -2.2228 -2.2137 -2.2137 k = 0.1935-0.1117 0.1580 ( 9297 PWs) bands (ev): -15.7771 -15.7771 -15.3536 -15.3536 -15.3043 -15.3043 -14.6901 -14.6901 -14.6830 -14.6830 -14.6758 -14.6758 -14.4717 -14.4717 -14.4648 -14.4648 -5.8399 -5.8399 -5.8232 -5.8232 -5.6319 -5.6319 -5.6302 -5.6302 -5.5719 -5.5719 -5.3358 -5.3358 -4.2446 -4.2446 -4.2247 -4.2247 -4.2083 -4.2083 -3.6607 -3.6607 -3.6174 -3.6174 -3.5517 -3.5517 -3.3240 -3.3240 -3.2223 -3.2223 -3.2219 -3.2219 -2.6228 -2.6228 -2.6124 -2.6124 -2.6010 -2.6010 -2.4520 -2.4520 -2.4092 -2.4092 -2.3963 -2.3963 -2.3338 -2.3338 -2.2226 -2.2226 -2.2148 -2.2148 k = 0.2097-0.1211 0.1712 ( 9297 PWs) bands (ev): -15.7726 -15.7726 -15.3539 -15.3539 -15.3095 -15.3095 -14.6902 -14.6902 -14.6832 -14.6832 -14.6748 -14.6748 -14.4726 -14.4726 -14.4647 -14.4647 -5.8421 -5.8421 -5.8228 -5.8228 -5.6298 -5.6298 -5.6280 -5.6280 -5.5688 -5.5688 -5.3300 -5.3300 -4.2365 -4.2365 -4.2174 -4.2174 -4.1981 -4.1981 -3.6585 -3.6585 -3.6146 -3.6146 -3.5369 -3.5369 -3.3301 -3.3301 -3.2277 -3.2277 -3.2277 -3.2277 -2.6254 -2.6254 -2.6129 -2.6129 -2.6010 -2.6010 -2.4699 -2.4699 -2.4192 -2.4192 -2.4046 -2.4046 -2.3504 -2.3504 -2.2223 -2.2223 -2.2158 -2.2158 k = 0.2258-0.1304 0.1844 ( 9289 PWs) bands (ev): -15.7679 -15.7679 -15.3543 -15.3543 -15.3149 -15.3149 -14.6904 -14.6904 -14.6834 -14.6834 -14.6738 -14.6738 -14.4736 -14.4736 -14.4646 -14.4646 -5.8445 -5.8445 -5.8224 -5.8224 -5.6276 -5.6276 -5.6257 -5.6257 -5.5656 -5.5656 -5.3241 -5.3241 -4.2280 -4.2280 -4.2098 -4.2098 -4.1875 -4.1875 -3.6562 -3.6562 -3.6117 -3.6117 -3.5210 -3.5210 -3.3366 -3.3366 -3.2339 -3.2339 -3.2334 -3.2334 -2.6281 -2.6281 -2.6131 -2.6131 -2.6007 -2.6007 -2.4888 -2.4888 -2.4295 -2.4295 -2.4132 -2.4132 -2.3676 -2.3676 -2.2220 -2.2220 -2.2168 -2.2168 k = 0.2419-0.1397 0.1975 ( 9293 PWs) bands (ev): -15.7629 -15.7629 -15.3546 -15.3546 -15.3205 -15.3205 -14.6905 -14.6905 -14.6836 -14.6836 -14.6728 -14.6728 -14.4745 -14.4745 -14.4645 -14.4645 -5.8469 -5.8469 -5.8220 -5.8220 -5.6254 -5.6254 -5.6234 -5.6234 -5.5623 -5.5623 -5.3180 -5.3180 -4.2193 -4.2193 -4.2020 -4.2020 -4.1764 -4.1764 -3.6539 -3.6539 -3.6086 -3.6086 -3.5041 -3.5041 -3.3433 -3.3433 -3.2404 -3.2404 -3.2393 -3.2393 -2.6309 -2.6309 -2.6133 -2.6133 -2.6004 -2.6004 -2.5087 -2.5087 -2.4401 -2.4401 -2.4222 -2.4222 -2.3851 -2.3851 -2.2216 -2.2216 -2.2177 -2.2177 k = 0.2581-0.1490 0.2107 ( 9289 PWs) bands (ev): -15.7578 -15.7578 -15.3550 -15.3550 -15.3262 -15.3262 -14.6906 -14.6906 -14.6839 -14.6839 -14.6717 -14.6717 -14.4755 -14.4755 -14.4644 -14.4644 -5.8493 -5.8493 -5.8217 -5.8217 -5.6231 -5.6231 -5.6210 -5.6210 -5.5590 -5.5590 -5.3118 -5.3118 -4.2105 -4.2105 -4.1939 -4.1939 -4.1650 -4.1650 -3.6515 -3.6515 -3.6054 -3.6054 -3.4863 -3.4863 -3.3503 -3.3503 -3.2471 -3.2471 -3.2454 -3.2454 -2.6337 -2.6337 -2.6132 -2.6132 -2.6001 -2.6001 -2.5292 -2.5292 -2.4508 -2.4508 -2.4314 -2.4314 -2.4027 -2.4027 -2.2212 -2.2212 -2.2186 -2.2186 k = 0.2742-0.1583 0.2239 ( 9269 PWs) bands (ev): -15.7527 -15.7527 -15.3554 -15.3554 -15.3320 -15.3320 -14.6908 -14.6908 -14.6841 -14.6841 -14.6707 -14.6707 -14.4765 -14.4765 -14.4643 -14.4643 -5.8518 -5.8518 -5.8213 -5.8213 -5.6207 -5.6207 -5.6187 -5.6187 -5.5557 -5.5557 -5.3056 -5.3056 -4.2015 -4.2015 -4.1858 -4.1858 -4.1534 -4.1534 -3.6492 -3.6492 -3.6021 -3.6021 -3.4677 -3.4677 -3.3575 -3.3575 -3.2540 -3.2540 -3.2515 -3.2515 -2.6366 -2.6366 -2.6130 -2.6130 -2.5999 -2.5999 -2.5500 -2.5500 -2.4615 -2.4615 -2.4408 -2.4408 -2.4203 -2.4203 -2.2208 -2.2208 -2.2193 -2.2193 k = 0.2903-0.1676 0.2370 ( 9277 PWs) bands (ev): -15.7474 -15.7474 -15.3557 -15.3557 -15.3379 -15.3379 -14.6910 -14.6910 -14.6843 -14.6843 -14.6696 -14.6696 -14.4774 -14.4774 -14.4642 -14.4642 -5.8543 -5.8543 -5.8209 -5.8209 -5.6183 -5.6183 -5.6164 -5.6164 -5.5525 -5.5525 -5.2995 -5.2995 -4.1926 -4.1926 -4.1777 -4.1777 -4.1418 -4.1418 -3.6468 -3.6468 -3.5986 -3.5986 -3.4484 -3.4484 -3.3649 -3.3649 -3.2611 -3.2611 -3.2577 -3.2577 -2.6393 -2.6393 -2.6126 -2.6126 -2.6009 -2.6009 -2.5702 -2.5702 -2.4722 -2.4722 -2.4502 -2.4502 -2.4376 -2.4376 -2.2204 -2.2204 -2.2199 -2.2199 k = 0.3065-0.1769 0.2502 ( 9305 PWs) bands (ev): -15.7422 -15.7422 -15.3561 -15.3561 -15.3437 -15.3437 -14.6911 -14.6911 -14.6845 -14.6845 -14.6686 -14.6686 -14.4784 -14.4784 -14.4640 -14.4640 -5.8568 -5.8568 -5.8206 -5.8206 -5.6161 -5.6161 -5.6142 -5.6142 -5.5494 -5.5494 -5.2935 -5.2935 -4.1838 -4.1838 -4.1697 -4.1697 -4.1302 -4.1302 -3.6444 -3.6444 -3.5952 -3.5952 -3.4285 -3.4285 -3.3725 -3.3725 -3.2682 -3.2682 -3.2638 -3.2638 -2.6421 -2.6421 -2.6120 -2.6120 -2.6076 -2.6076 -2.5847 -2.5847 -2.4828 -2.4828 -2.4597 -2.4597 -2.4545 -2.4545 -2.2205 -2.2205 -2.2201 -2.2201 k = 0.3226-0.1862 0.2634 ( 9317 PWs) bands (ev): -15.7370 -15.7370 -15.3564 -15.3564 -15.3495 -15.3495 -14.6913 -14.6913 -14.6847 -14.6847 -14.6676 -14.6676 -14.4793 -14.4793 -14.4639 -14.4639 -5.8592 -5.8592 -5.8203 -5.8203 -5.6139 -5.6139 -5.6121 -5.6121 -5.5464 -5.5464 -5.2878 -5.2878 -4.1752 -4.1752 -4.1619 -4.1619 -4.1188 -4.1188 -3.6420 -3.6420 -3.5916 -3.5916 -3.4081 -3.4081 -3.3800 -3.3800 -3.2753 -3.2753 -3.2699 -3.2699 -2.6447 -2.6447 -2.6251 -2.6251 -2.6111 -2.6111 -2.5887 -2.5887 -2.4933 -2.4933 -2.4706 -2.4706 -2.4691 -2.4691 -2.2211 -2.2211 -2.2198 -2.2198 k = 0.3387-0.1956 0.2766 ( 9297 PWs) bands (ev): -15.7319 -15.7319 -15.3567 -15.3567 -15.3551 -15.3551 -14.6914 -14.6914 -14.6849 -14.6849 -14.6667 -14.6667 -14.4801 -14.4801 -14.4638 -14.4638 -5.8615 -5.8615 -5.8200 -5.8200 -5.6117 -5.6117 -5.6100 -5.6100 -5.5434 -5.5434 -5.2822 -5.2822 -4.1668 -4.1668 -4.1543 -4.1543 -4.1077 -4.1077 -3.6397 -3.6397 -3.5881 -3.5881 -3.3876 -3.3876 -3.3875 -3.3875 -3.2823 -3.2823 -3.2758 -3.2758 -2.6475 -2.6475 -2.6463 -2.6463 -2.6101 -2.6101 -2.5883 -2.5883 -2.5036 -2.5036 -2.4859 -2.4859 -2.4783 -2.4783 -2.2215 -2.2215 -2.2194 -2.2194 k = 0.3548-0.2049 0.2897 ( 9312 PWs) bands (ev): -15.7269 -15.7269 -15.3605 -15.3605 -15.3570 -15.3570 -14.6916 -14.6916 -14.6851 -14.6851 -14.6658 -14.6658 -14.4810 -14.4810 -14.4638 -14.4638 -5.8636 -5.8636 -5.8198 -5.8198 -5.6096 -5.6096 -5.6081 -5.6081 -5.5407 -5.5407 -5.2770 -5.2770 -4.1588 -4.1588 -4.1471 -4.1471 -4.0970 -4.0970 -3.6374 -3.6374 -3.5846 -3.5846 -3.3948 -3.3948 -3.3671 -3.3671 -3.2889 -3.2889 -3.2815 -3.2815 -2.6692 -2.6692 -2.6494 -2.6494 -2.6089 -2.6089 -2.5867 -2.5867 -2.5138 -2.5138 -2.4999 -2.4999 -2.4873 -2.4873 -2.2219 -2.2219 -2.2191 -2.2191 k = 0.3710-0.2142 0.3029 ( 9308 PWs) bands (ev): -15.7222 -15.7222 -15.3657 -15.3657 -15.3573 -15.3573 -14.6917 -14.6917 -14.6852 -14.6852 -14.6650 -14.6650 -14.4817 -14.4817 -14.4637 -14.4637 -5.8657 -5.8657 -5.8195 -5.8195 -5.6077 -5.6077 -5.6063 -5.6063 -5.5382 -5.5382 -5.2722 -5.2722 -4.1513 -4.1513 -4.1403 -4.1403 -4.0870 -4.0870 -3.6352 -3.6352 -3.5811 -3.5811 -3.4019 -3.4019 -3.3470 -3.3470 -3.2950 -3.2950 -3.2868 -3.2868 -2.6916 -2.6916 -2.6516 -2.6516 -2.6075 -2.6075 -2.5845 -2.5845 -2.5240 -2.5240 -2.5123 -2.5123 -2.4961 -2.4961 -2.2222 -2.2222 -2.2188 -2.2188 k = 0.3871-0.2235 0.3161 ( 9312 PWs) bands (ev): -15.7179 -15.7179 -15.3705 -15.3705 -15.3575 -15.3575 -14.6919 -14.6919 -14.6854 -14.6854 -14.6643 -14.6643 -14.4824 -14.4824 -14.4636 -14.4636 -5.8675 -5.8675 -5.8193 -5.8193 -5.6060 -5.6060 -5.6047 -5.6047 -5.5359 -5.5359 -5.2678 -5.2678 -4.1444 -4.1444 -4.1340 -4.1340 -4.0776 -4.0776 -3.6332 -3.6332 -3.5778 -3.5778 -3.4086 -3.4086 -3.3281 -3.3281 -3.3000 -3.3000 -3.2918 -3.2918 -2.7134 -2.7134 -2.6535 -2.6535 -2.6058 -2.6058 -2.5818 -2.5818 -2.5341 -2.5341 -2.5232 -2.5232 -2.5045 -2.5045 -2.2225 -2.2225 -2.2186 -2.2186 k = 0.4032-0.2328 0.3292 ( 9296 PWs) bands (ev): -15.7139 -15.7139 -15.3748 -15.3748 -15.3577 -15.3577 -14.6920 -14.6920 -14.6855 -14.6855 -14.6636 -14.6636 -14.4830 -14.4830 -14.4635 -14.4635 -5.8691 -5.8691 -5.8191 -5.8191 -5.6044 -5.6044 -5.6032 -5.6032 -5.5339 -5.5339 -5.2639 -5.2639 -4.1382 -4.1382 -4.1284 -4.1284 -4.0692 -4.0692 -3.6313 -3.6313 -3.5747 -3.5747 -3.4149 -3.4149 -3.3150 -3.3150 -3.2995 -3.2995 -3.2963 -3.2963 -2.7341 -2.7341 -2.6553 -2.6553 -2.6040 -2.6040 -2.5788 -2.5788 -2.5438 -2.5438 -2.5324 -2.5324 -2.5126 -2.5126 -2.2227 -2.2227 -2.2184 -2.2184 k = 0.4194-0.2421 0.3424 ( 9300 PWs) bands (ev): -15.7104 -15.7104 -15.3786 -15.3786 -15.3579 -15.3579 -14.6921 -14.6921 -14.6857 -14.6857 -14.6630 -14.6630 -14.4835 -14.4835 -14.4635 -14.4635 -5.8705 -5.8705 -5.8189 -5.8189 -5.6030 -5.6030 -5.6020 -5.6020 -5.5321 -5.5321 -5.2605 -5.2605 -4.1328 -4.1328 -4.1235 -4.1235 -4.0618 -4.0618 -3.6296 -3.6296 -3.5718 -3.5718 -3.4205 -3.4205 -3.3151 -3.3151 -3.3003 -3.3003 -3.2866 -3.2866 -2.7533 -2.7533 -2.6568 -2.6568 -2.6020 -2.6020 -2.5755 -2.5755 -2.5526 -2.5526 -2.5404 -2.5404 -2.5203 -2.5203 -2.2229 -2.2229 -2.2182 -2.2182 k = 0.4355-0.2514 0.3556 ( 9288 PWs) bands (ev): -15.7074 -15.7074 -15.3819 -15.3819 -15.3581 -15.3581 -14.6922 -14.6922 -14.6858 -14.6858 -14.6625 -14.6625 -14.4840 -14.4840 -14.4634 -14.4634 -5.8717 -5.8717 -5.8188 -5.8188 -5.6019 -5.6019 -5.6009 -5.6009 -5.5306 -5.5306 -5.2577 -5.2577 -4.1282 -4.1282 -4.1194 -4.1194 -4.0555 -4.0555 -3.6281 -3.6281 -3.5693 -3.5693 -3.4254 -3.4254 -3.3183 -3.3183 -3.3036 -3.3036 -3.2717 -3.2717 -2.7704 -2.7704 -2.6580 -2.6580 -2.5999 -2.5999 -2.5718 -2.5718 -2.5601 -2.5601 -2.5473 -2.5473 -2.5276 -2.5276 -2.2230 -2.2230 -2.2180 -2.2180 k = 0.4516-0.2607 0.3687 ( 9292 PWs) bands (ev): -15.7050 -15.7050 -15.3845 -15.3845 -15.3582 -15.3582 -14.6922 -14.6922 -14.6858 -14.6858 -14.6622 -14.6622 -14.4843 -14.4843 -14.4634 -14.4634 -5.8726 -5.8726 -5.8187 -5.8187 -5.6010 -5.6010 -5.6001 -5.6001 -5.5295 -5.5295 -5.2554 -5.2554 -4.1245 -4.1245 -4.1161 -4.1161 -4.0505 -4.0505 -3.6269 -3.6269 -3.5672 -3.5672 -3.4294 -3.4294 -3.3214 -3.3214 -3.3064 -3.3064 -3.2588 -3.2588 -2.7846 -2.7846 -2.6590 -2.6590 -2.5978 -2.5978 -2.5678 -2.5678 -2.5661 -2.5661 -2.5530 -2.5530 -2.5345 -2.5345 -2.2232 -2.2232 -2.2179 -2.2179 k = 0.4677-0.2701 0.3819 ( 9320 PWs) bands (ev): -15.7032 -15.7032 -15.3864 -15.3864 -15.3583 -15.3583 -14.6923 -14.6923 -14.6859 -14.6859 -14.6619 -14.6619 -14.4846 -14.4846 -14.4633 -14.4633 -5.8734 -5.8734 -5.8186 -5.8186 -5.6004 -5.6004 -5.5995 -5.5995 -5.5286 -5.5286 -5.2538 -5.2538 -4.1218 -4.1218 -4.1137 -4.1137 -4.0469 -4.0469 -3.6261 -3.6261 -3.5656 -3.5656 -3.4323 -3.4323 -3.3237 -3.3237 -3.3083 -3.3083 -3.2488 -3.2488 -2.7955 -2.7955 -2.6597 -2.6597 -2.5960 -2.5960 -2.5706 -2.5706 -2.5635 -2.5635 -2.5574 -2.5574 -2.5409 -2.5409 -2.2232 -2.2232 -2.2178 -2.2178 k = 0.4839-0.2794 0.3951 ( 9296 PWs) bands (ev): -15.7022 -15.7022 -15.3876 -15.3876 -15.3584 -15.3584 -14.6923 -14.6923 -14.6859 -14.6859 -14.6617 -14.6617 -14.4847 -14.4847 -14.4633 -14.4633 -5.8737 -5.8737 -5.8185 -5.8185 -5.5999 -5.5999 -5.5992 -5.5992 -5.5281 -5.5281 -5.2528 -5.2528 -4.1202 -4.1202 -4.1122 -4.1122 -4.0446 -4.0446 -3.6255 -3.6255 -3.5647 -3.5647 -3.4342 -3.4342 -3.3251 -3.3251 -3.3095 -3.3095 -3.2425 -3.2425 -2.8023 -2.8023 -2.6601 -2.6601 -2.5947 -2.5947 -2.5732 -2.5732 -2.5603 -2.5603 -2.5590 -2.5590 -2.5465 -2.5465 -2.2233 -2.2233 -2.2178 -2.2178 k = 0.5000-0.2887 0.4082 ( 9272 PWs) bands (ev): -15.7018 -15.7018 -15.3880 -15.3880 -15.3584 -15.3584 -14.6923 -14.6923 -14.6859 -14.6859 -14.6617 -14.6617 -14.4848 -14.4848 -14.4633 -14.4633 -5.8739 -5.8739 -5.8185 -5.8185 -5.5998 -5.5998 -5.5990 -5.5990 -5.5279 -5.5279 -5.2525 -5.2525 -4.1197 -4.1197 -4.1117 -4.1117 -4.0439 -4.0439 -3.6254 -3.6254 -3.5643 -3.5643 -3.4348 -3.4348 -3.3256 -3.3256 -3.3099 -3.3099 -3.2404 -3.2404 -2.8046 -2.8046 -2.6602 -2.6602 -2.5942 -2.5942 -2.5741 -2.5741 -2.5613 -2.5613 -2.5560 -2.5560 -2.5499 -2.5499 -2.2233 -2.2233 -2.2178 -2.2178 k = 0.5000-0.2887 0.4082 ( 9272 PWs) bands (ev): -15.7018 -15.7018 -15.3880 -15.3880 -15.3584 -15.3584 -14.6923 -14.6923 -14.6859 -14.6859 -14.6617 -14.6617 -14.4848 -14.4848 -14.4633 -14.4633 -5.8739 -5.8739 -5.8185 -5.8185 -5.5998 -5.5998 -5.5990 -5.5990 -5.5279 -5.5279 -5.2525 -5.2525 -4.1197 -4.1197 -4.1117 -4.1117 -4.0439 -4.0439 -3.6254 -3.6254 -3.5643 -3.5643 -3.4348 -3.4348 -3.3256 -3.3256 -3.3099 -3.3099 -3.2404 -3.2404 -2.8046 -2.8046 -2.6602 -2.6602 -2.5942 -2.5942 -2.5741 -2.5741 -2.5613 -2.5613 -2.5560 -2.5560 -2.5499 -2.5499 -2.2233 -2.2233 -2.2178 -2.2178 k = 0.5000-0.2706 0.4210 ( 9292 PWs) bands (ev): -15.7018 -15.7018 -15.3879 -15.3879 -15.3584 -15.3584 -14.6923 -14.6923 -14.6859 -14.6859 -14.6617 -14.6617 -14.4847 -14.4847 -14.4633 -14.4633 -5.8738 -5.8738 -5.8186 -5.8186 -5.5998 -5.5998 -5.5990 -5.5990 -5.5279 -5.5279 -5.2525 -5.2525 -4.1196 -4.1196 -4.1117 -4.1117 -4.0440 -4.0440 -3.6249 -3.6249 -3.5638 -3.5638 -3.4351 -3.4351 -3.3259 -3.3259 -3.3105 -3.3105 -3.2406 -3.2406 -2.8044 -2.8044 -2.6600 -2.6600 -2.5983 -2.5983 -2.5730 -2.5730 -2.5616 -2.5616 -2.5559 -2.5559 -2.5461 -2.5461 -2.2236 -2.2236 -2.2181 -2.2181 k = 0.5000-0.2526 0.4338 ( 9304 PWs) bands (ev): -15.7018 -15.7018 -15.3877 -15.3877 -15.3587 -15.3587 -14.6922 -14.6922 -14.6858 -14.6858 -14.6619 -14.6619 -14.4846 -14.4846 -14.4635 -14.4635 -5.8734 -5.8734 -5.8189 -5.8189 -5.5998 -5.5998 -5.5991 -5.5991 -5.5280 -5.5280 -5.2526 -5.2526 -4.1194 -4.1194 -4.1114 -4.1114 -4.0445 -4.0445 -3.6236 -3.6236 -3.5624 -3.5624 -3.4360 -3.4360 -3.3267 -3.3267 -3.3123 -3.3123 -3.2414 -3.2414 -2.8037 -2.8037 -2.6592 -2.6592 -2.6072 -2.6072 -2.5714 -2.5714 -2.5618 -2.5618 -2.5556 -2.5556 -2.5368 -2.5368 -2.2247 -2.2247 -2.2191 -2.2191 k = 0.5000-0.2345 0.4465 ( 9302 PWs) bands (ev): -15.7018 -15.7018 -15.3874 -15.3874 -15.3590 -15.3590 -14.6921 -14.6921 -14.6856 -14.6856 -14.6622 -14.6622 -14.4844 -14.4844 -14.4636 -14.4636 -5.8729 -5.8729 -5.8193 -5.8193 -5.5998 -5.5998 -5.5991 -5.5991 -5.5280 -5.5280 -5.2527 -5.2527 -4.1191 -4.1191 -4.1109 -4.1109 -4.0454 -4.0454 -3.6214 -3.6214 -3.5599 -3.5599 -3.4375 -3.4375 -3.3282 -3.3282 -3.3151 -3.3151 -3.2426 -3.2426 -2.8026 -2.8026 -2.6581 -2.6581 -2.6176 -2.6176 -2.5701 -2.5701 -2.5622 -2.5622 -2.5546 -2.5546 -2.5247 -2.5247 -2.2266 -2.2266 -2.2206 -2.2206 k = 0.5000-0.2165 0.4593 ( 9284 PWs) bands (ev): -15.7018 -15.7018 -15.3869 -15.3869 -15.3595 -15.3595 -14.6919 -14.6919 -14.6854 -14.6854 -14.6626 -14.6626 -14.4841 -14.4841 -14.4639 -14.4639 -5.8722 -5.8722 -5.8199 -5.8199 -5.5998 -5.5998 -5.5991 -5.5991 -5.5280 -5.5280 -5.2528 -5.2528 -4.1188 -4.1188 -4.1102 -4.1102 -4.0465 -4.0465 -3.6184 -3.6184 -3.5565 -3.5565 -3.4397 -3.4397 -3.3306 -3.3306 -3.3183 -3.3183 -3.2443 -3.2443 -2.8011 -2.8011 -2.6568 -2.6568 -2.6280 -2.6280 -2.5688 -2.5688 -2.5631 -2.5631 -2.5529 -2.5529 -2.5113 -2.5113 -2.2296 -2.2296 -2.2224 -2.2224 k = 0.5000-0.1985 0.4720 ( 9284 PWs) bands (ev): -15.7018 -15.7018 -15.3863 -15.3863 -15.3602 -15.3602 -14.6918 -14.6918 -14.6851 -14.6851 -14.6631 -14.6631 -14.4837 -14.4837 -14.4642 -14.4642 -5.8712 -5.8712 -5.8207 -5.8207 -5.5998 -5.5998 -5.5991 -5.5991 -5.5280 -5.5280 -5.2529 -5.2529 -4.1186 -4.1186 -4.1091 -4.1091 -4.0479 -4.0479 -3.6145 -3.6145 -3.5522 -3.5522 -3.4427 -3.4427 -3.3346 -3.3346 -3.3213 -3.3213 -3.2464 -3.2464 -2.7991 -2.7991 -2.6563 -2.6563 -2.6371 -2.6371 -2.5675 -2.5675 -2.5644 -2.5644 -2.5506 -2.5506 -2.4972 -2.4972 -2.2337 -2.2336 -2.2242 -2.2242 k = 0.5000-0.1804 0.4848 ( 9282 PWs) bands (ev): -15.7018 -15.7018 -15.3856 -15.3856 -15.3610 -15.3610 -14.6916 -14.6916 -14.6846 -14.6846 -14.6638 -14.6638 -14.4833 -14.4833 -14.4646 -14.4646 -5.8702 -5.8702 -5.8217 -5.8217 -5.5998 -5.5998 -5.5992 -5.5992 -5.5280 -5.5280 -5.2531 -5.2531 -4.1184 -4.1184 -4.1077 -4.1077 -4.0496 -4.0496 -3.6098 -3.6098 -3.5470 -3.5470 -3.4465 -3.4465 -3.3403 -3.3403 -3.3235 -3.3235 -3.2489 -3.2489 -2.7968 -2.7968 -2.6593 -2.6593 -2.6420 -2.6420 -2.5666 -2.5666 -2.5658 -2.5658 -2.5477 -2.5477 -2.4827 -2.4827 -2.2388 -2.2388 -2.2262 -2.2262 k = 0.5000-0.1624 0.4976 ( 9286 PWs) bands (ev): -15.7018 -15.7018 -15.3847 -15.3847 -15.3619 -15.3619 -14.6914 -14.6914 -14.6841 -14.6841 -14.6645 -14.6645 -14.4828 -14.4828 -14.4650 -14.4650 -5.8690 -5.8690 -5.8227 -5.8227 -5.5998 -5.5998 -5.5992 -5.5992 -5.5281 -5.5281 -5.2532 -5.2532 -4.1182 -4.1182 -4.1059 -4.1059 -4.0516 -4.0516 -3.6044 -3.6044 -3.5410 -3.5410 -3.4511 -3.4511 -3.3478 -3.3478 -3.3249 -3.3249 -3.2517 -3.2517 -2.7941 -2.7941 -2.6669 -2.6669 -2.6416 -2.6416 -2.5686 -2.5686 -2.5645 -2.5645 -2.5444 -2.5444 -2.4679 -2.4679 -2.2450 -2.2450 -2.2282 -2.2282 k = 0.5000-0.1443 0.5103 ( 9292 PWs) bands (ev): -15.7018 -15.7018 -15.3838 -15.3838 -15.3629 -15.3629 -14.6913 -14.6913 -14.6834 -14.6834 -14.6653 -14.6653 -14.4822 -14.4822 -14.4655 -14.4655 -5.8676 -5.8676 -5.8239 -5.8239 -5.5999 -5.5999 -5.5993 -5.5993 -5.5281 -5.5281 -5.2534 -5.2534 -4.1182 -4.1182 -4.1038 -4.1038 -4.0539 -4.0539 -3.5982 -3.5982 -3.5342 -3.5342 -3.4565 -3.4565 -3.3564 -3.3564 -3.3257 -3.3257 -3.2547 -3.2547 -2.7909 -2.7909 -2.6761 -2.6761 -2.6389 -2.6389 -2.5712 -2.5712 -2.5629 -2.5629 -2.5410 -2.5410 -2.4530 -2.4530 -2.2522 -2.2522 -2.2303 -2.2303 k = 0.5000-0.1263 0.5231 ( 9294 PWs) bands (ev): -15.7018 -15.7018 -15.3827 -15.3827 -15.3640 -15.3640 -14.6912 -14.6912 -14.6827 -14.6827 -14.6662 -14.6662 -14.4817 -14.4817 -14.4660 -14.4660 -5.8662 -5.8662 -5.8252 -5.8252 -5.5999 -5.5999 -5.5993 -5.5993 -5.5282 -5.5282 -5.2536 -5.2536 -4.1182 -4.1182 -4.1014 -4.1014 -4.0563 -4.0563 -3.5914 -3.5914 -3.5268 -3.5268 -3.4626 -3.4626 -3.3661 -3.3661 -3.3259 -3.3259 -3.2578 -3.2578 -2.7874 -2.7874 -2.6855 -2.6855 -2.6352 -2.6352 -2.5742 -2.5742 -2.5614 -2.5614 -2.5375 -2.5375 -2.4380 -2.4380 -2.2602 -2.2602 -2.2324 -2.2324 k = 0.5000-0.1083 0.5358 ( 9298 PWs) bands (ev): -15.7018 -15.7018 -15.3816 -15.3816 -15.3652 -15.3652 -14.6911 -14.6911 -14.6818 -14.6818 -14.6672 -14.6672 -14.4811 -14.4811 -14.4665 -14.4665 -5.8648 -5.8648 -5.8264 -5.8264 -5.5999 -5.5999 -5.5994 -5.5994 -5.5282 -5.5282 -5.2538 -5.2538 -4.1183 -4.1183 -4.0988 -4.0988 -4.0590 -4.0590 -3.5840 -3.5840 -3.5189 -3.5189 -3.4692 -3.4692 -3.3764 -3.3764 -3.3257 -3.3257 -3.2610 -3.2610 -2.7835 -2.7835 -2.6946 -2.6946 -2.6310 -2.6310 -2.5775 -2.5775 -2.5599 -2.5599 -2.5341 -2.5341 -2.4230 -2.4230 -2.2691 -2.2691 -2.2345 -2.2345 k = 0.5000-0.0902 0.5486 ( 9296 PWs) bands (ev): -15.7017 -15.7017 -15.3804 -15.3804 -15.3664 -15.3664 -14.6911 -14.6911 -14.6809 -14.6809 -14.6682 -14.6682 -14.4805 -14.4805 -14.4670 -14.4670 -5.8634 -5.8634 -5.8277 -5.8277 -5.5999 -5.5999 -5.5994 -5.5994 -5.5282 -5.5282 -5.2539 -5.2539 -4.1183 -4.1183 -4.0960 -4.0960 -4.0618 -4.0618 -3.5761 -3.5761 -3.5110 -3.5110 -3.4759 -3.4759 -3.3871 -3.3871 -3.3251 -3.3251 -3.2641 -3.2641 -2.7793 -2.7793 -2.7034 -2.7034 -2.6266 -2.6266 -2.5811 -2.5811 -2.5585 -2.5585 -2.5309 -2.5309 -2.4082 -2.4082 -2.2788 -2.2788 -2.2364 -2.2364 k = 0.5000-0.0722 0.5613 ( 9310 PWs) bands (ev): -15.7017 -15.7017 -15.3791 -15.3791 -15.3678 -15.3678 -14.6910 -14.6910 -14.6799 -14.6799 -14.6692 -14.6692 -14.4799 -14.4799 -14.4675 -14.4675 -5.8620 -5.8620 -5.8289 -5.8289 -5.5999 -5.5999 -5.5995 -5.5995 -5.5283 -5.5283 -5.2541 -5.2541 -4.1184 -4.1184 -4.0931 -4.0931 -4.0648 -4.0648 -3.5678 -3.5678 -3.5046 -3.5046 -3.4812 -3.4812 -3.3982 -3.3982 -3.3243 -3.3243 -3.2670 -3.2670 -2.7748 -2.7748 -2.7116 -2.7116 -2.6220 -2.6220 -2.5849 -2.5849 -2.5574 -2.5574 -2.5281 -2.5281 -2.3935 -2.3935 -2.2892 -2.2892 -2.2381 -2.2381 k = 0.5000-0.0541 0.5741 ( 9314 PWs) bands (ev): -15.7017 -15.7017 -15.3777 -15.3777 -15.3692 -15.3692 -14.6910 -14.6910 -14.6789 -14.6789 -14.6703 -14.6703 -14.4794 -14.4794 -14.4679 -14.4679 -5.8609 -5.8609 -5.8300 -5.8300 -5.5999 -5.5999 -5.5995 -5.5995 -5.5283 -5.5283 -5.2542 -5.2542 -4.1185 -4.1185 -4.0901 -4.0901 -4.0678 -4.0678 -3.5593 -3.5593 -3.5036 -3.5036 -3.4811 -3.4811 -3.4091 -3.4091 -3.3235 -3.3235 -3.2695 -3.2695 -2.7703 -2.7703 -2.7191 -2.7191 -2.6173 -2.6173 -2.5889 -2.5889 -2.5564 -2.5564 -2.5258 -2.5258 -2.3790 -2.3790 -2.3003 -2.3003 -2.2395 -2.2395 k = 0.5000-0.0361 0.5869 ( 9306 PWs) bands (ev): -15.7017 -15.7017 -15.3763 -15.3763 -15.3706 -15.3706 -14.6910 -14.6910 -14.6779 -14.6779 -14.6712 -14.6712 -14.4791 -14.4791 -14.4683 -14.4683 -5.8599 -5.8599 -5.8309 -5.8309 -5.5999 -5.5999 -5.5995 -5.5995 -5.5283 -5.5283 -5.2543 -5.2543 -4.1185 -4.1185 -4.0871 -4.0871 -4.0707 -4.0707 -3.5510 -3.5510 -3.5086 -3.5086 -3.4750 -3.4750 -3.4195 -3.4195 -3.3227 -3.3227 -3.2715 -3.2715 -2.7659 -2.7659 -2.7255 -2.7255 -2.6127 -2.6127 -2.5931 -2.5931 -2.5556 -2.5556 -2.5241 -2.5241 -2.3649 -2.3649 -2.3119 -2.3119 -2.2405 -2.2405 k = 0.5000-0.0180 0.5996 ( 9316 PWs) bands (ev): -15.7017 -15.7017 -15.3749 -15.3749 -15.3720 -15.3720 -14.6910 -14.6910 -14.6771 -14.6771 -14.6720 -14.6720 -14.4788 -14.4788 -14.4685 -14.4685 -5.8593 -5.8593 -5.8314 -5.8314 -5.5999 -5.5999 -5.5996 -5.5996 -5.5284 -5.5284 -5.2543 -5.2543 -4.1186 -4.1186 -4.0847 -4.0847 -4.0731 -4.0731 -3.5436 -3.5436 -3.5150 -3.5150 -3.4681 -3.4681 -3.4281 -3.4281 -3.3221 -3.3221 -3.2728 -3.2728 -2.7625 -2.7625 -2.7302 -2.7302 -2.6083 -2.6083 -2.5972 -2.5972 -2.5552 -2.5552 -2.5231 -2.5231 -2.3514 -2.3514 -2.3241 -2.3241 -2.2412 -2.2411 k = 0.5000-0.0000 0.6124 ( 9308 PWs) bands (ev): -15.7017 -15.7017 -15.3735 -15.3735 -15.3734 -15.3734 -14.6910 -14.6910 -14.6768 -14.6768 -14.6724 -14.6724 -14.4787 -14.4787 -14.4686 -14.4686 -5.8591 -5.8591 -5.8316 -5.8316 -5.5999 -5.5999 -5.5996 -5.5996 -5.5284 -5.5284 -5.2543 -5.2543 -4.1186 -4.1186 -4.0835 -4.0835 -4.0743 -4.0743 -3.5400 -3.5400 -3.5183 -3.5183 -3.4648 -3.4648 -3.4319 -3.4319 -3.3219 -3.3219 -3.2732 -3.2732 -2.7611 -2.7611 -2.7320 -2.7320 -2.6056 -2.6056 -2.5997 -2.5997 -2.5550 -2.5550 -2.5227 -2.5227 -2.3412 -2.3412 -2.3338 -2.3338 -2.2414 -2.2414 k = 0.5000-0.0000 0.6124 ( 9308 PWs) bands (ev): -15.7017 -15.7017 -15.3735 -15.3735 -15.3734 -15.3734 -14.6910 -14.6910 -14.6768 -14.6768 -14.6724 -14.6724 -14.4787 -14.4787 -14.4686 -14.4686 -5.8591 -5.8591 -5.8316 -5.8316 -5.5999 -5.5999 -5.5996 -5.5996 -5.5284 -5.5284 -5.2543 -5.2543 -4.1186 -4.1186 -4.0835 -4.0835 -4.0743 -4.0743 -3.5400 -3.5400 -3.5183 -3.5183 -3.4648 -3.4648 -3.4319 -3.4319 -3.3219 -3.3219 -3.2732 -3.2732 -2.7611 -2.7611 -2.7320 -2.7320 -2.6056 -2.6056 -2.5997 -2.5997 -2.5550 -2.5550 -2.5227 -2.5227 -2.3412 -2.3412 -2.3338 -2.3338 -2.2414 -2.2414 k = 0.4886 0.0197 0.6124 ( 9317 PWs) bands (ev): -15.7018 -15.7018 -15.3745 -15.3745 -15.3723 -15.3723 -14.6910 -14.6910 -14.6770 -14.6770 -14.6722 -14.6722 -14.4787 -14.4787 -14.4686 -14.4686 -5.8592 -5.8592 -5.8315 -5.8315 -5.6004 -5.6004 -5.5992 -5.5992 -5.5284 -5.5284 -5.2544 -5.2544 -4.1187 -4.1187 -4.0844 -4.0844 -4.0738 -4.0738 -3.5419 -3.5419 -3.5164 -3.5164 -3.4665 -3.4665 -3.4298 -3.4298 -3.3221 -3.3221 -3.2733 -3.2733 -2.7616 -2.7616 -2.7308 -2.7308 -2.6075 -2.6075 -2.5981 -2.5981 -2.5544 -2.5544 -2.5230 -2.5230 -2.3478 -2.3478 -2.3274 -2.3274 -2.2412 -2.2412 k = 0.4773 0.0394 0.6124 ( 9306 PWs) bands (ev): -15.7020 -15.7020 -15.3755 -15.3755 -15.3711 -15.3711 -14.6909 -14.6909 -14.6775 -14.6775 -14.6718 -14.6718 -14.4788 -14.4788 -14.4685 -14.4685 -5.8594 -5.8594 -5.8313 -5.8313 -5.6010 -5.6010 -5.5987 -5.5987 -5.5285 -5.5285 -5.2546 -5.2546 -4.1190 -4.1190 -4.0864 -4.0864 -4.0727 -4.0727 -3.5459 -3.5459 -3.5126 -3.5126 -3.4703 -3.4703 -3.4248 -3.4248 -3.3226 -3.3226 -3.2734 -3.2734 -2.7631 -2.7631 -2.7275 -2.7275 -2.6112 -2.6112 -2.5950 -2.5950 -2.5528 -2.5528 -2.5240 -2.5240 -2.3571 -2.3571 -2.3189 -2.3189 -2.2406 -2.2406 k = 0.4659 0.0590 0.6124 ( 9298 PWs) bands (ev): -15.7023 -15.7023 -15.3764 -15.3764 -15.3699 -15.3699 -14.6908 -14.6908 -14.6782 -14.6782 -14.6712 -14.6712 -14.4789 -14.4789 -14.4683 -14.4683 -5.8596 -5.8596 -5.8309 -5.8309 -5.6016 -5.6016 -5.5982 -5.5982 -5.5286 -5.5286 -5.2548 -5.2548 -4.1194 -4.1194 -4.0891 -4.0891 -4.0715 -4.0715 -3.5505 -3.5505 -3.5085 -3.5085 -3.4743 -3.4743 -3.4187 -3.4187 -3.3237 -3.3237 -3.2732 -3.2732 -2.7650 -2.7650 -2.7229 -2.7229 -2.6155 -2.6155 -2.5914 -2.5914 -2.5503 -2.5503 -2.5256 -2.5256 -2.3665 -2.3665 -2.3110 -2.3110 -2.2397 -2.2397 k = 0.4545 0.0787 0.6124 ( 9292 PWs) bands (ev): -15.7027 -15.7027 -15.3772 -15.3772 -15.3686 -15.3686 -14.6907 -14.6907 -14.6789 -14.6789 -14.6706 -14.6706 -14.4791 -14.4791 -14.4682 -14.4682 -5.8600 -5.8600 -5.8304 -5.8304 -5.6022 -5.6022 -5.5979 -5.5979 -5.5287 -5.5287 -5.2550 -5.2550 -4.1199 -4.1199 -4.0920 -4.0920 -4.0704 -4.0704 -3.5548 -3.5548 -3.5053 -3.5053 -3.4774 -3.4774 -3.4125 -3.4125 -3.3252 -3.3252 -3.2728 -3.2728 -2.7670 -2.7670 -2.7176 -2.7176 -2.6199 -2.6199 -2.5876 -2.5876 -2.5472 -2.5472 -2.5276 -2.5276 -2.3757 -2.3757 -2.3040 -2.3040 -2.2383 -2.2383 k = 0.4432 0.0984 0.6124 ( 9293 PWs) bands (ev): -15.7031 -15.7031 -15.3779 -15.3779 -15.3674 -15.3674 -14.6905 -14.6905 -14.6797 -14.6797 -14.6701 -14.6701 -14.4793 -14.4793 -14.4680 -14.4680 -5.8604 -5.8604 -5.8300 -5.8300 -5.6028 -5.6028 -5.5976 -5.5976 -5.5289 -5.5289 -5.2553 -5.2553 -4.1204 -4.1204 -4.0951 -4.0951 -4.0694 -4.0694 -3.5587 -3.5587 -3.5036 -3.5036 -3.4789 -3.4789 -3.4066 -3.4066 -3.3272 -3.3272 -3.2721 -3.2721 -2.7689 -2.7689 -2.7123 -2.7123 -2.6242 -2.6242 -2.5837 -2.5837 -2.5437 -2.5437 -2.5300 -2.5300 -2.3846 -2.3846 -2.2981 -2.2981 -2.2365 -2.2365 k = 0.4318 0.1181 0.6124 ( 9295 PWs) bands (ev): -15.7035 -15.7035 -15.3785 -15.3785 -15.3663 -15.3663 -14.6903 -14.6903 -14.6804 -14.6804 -14.6696 -14.6696 -14.4794 -14.4794 -14.4678 -14.4678 -5.8608 -5.8608 -5.8295 -5.8295 -5.6033 -5.6033 -5.5973 -5.5973 -5.5291 -5.5291 -5.2556 -5.2556 -4.1208 -4.1208 -4.0981 -4.0981 -4.0685 -4.0685 -3.5620 -3.5620 -3.5035 -3.5035 -3.4786 -3.4786 -3.4012 -3.4012 -3.3295 -3.3295 -3.2713 -3.2713 -2.7706 -2.7706 -2.7072 -2.7072 -2.6281 -2.6281 -2.5797 -2.5797 -2.5403 -2.5403 -2.5325 -2.5325 -2.3929 -2.3929 -2.2934 -2.2934 -2.2345 -2.2345 k = 0.4205 0.1378 0.6124 ( 9287 PWs) bands (ev): -15.7039 -15.7039 -15.3791 -15.3791 -15.3654 -15.3654 -14.6900 -14.6900 -14.6811 -14.6811 -14.6691 -14.6691 -14.4796 -14.4796 -14.4676 -14.4676 -5.8611 -5.8611 -5.8290 -5.8290 -5.6038 -5.6038 -5.5971 -5.5971 -5.5292 -5.5292 -5.2558 -5.2558 -4.1210 -4.1210 -4.1008 -4.1008 -4.0679 -4.0679 -3.5648 -3.5648 -3.5044 -3.5044 -3.4773 -3.4773 -3.3965 -3.3965 -3.3318 -3.3318 -3.2703 -3.2703 -2.7720 -2.7720 -2.7027 -2.7027 -2.6316 -2.6316 -2.5757 -2.5757 -2.5381 -2.5381 -2.5340 -2.5340 -2.4004 -2.4004 -2.2898 -2.2898 -2.2324 -2.2324 k = 0.4091 0.1575 0.6124 ( 9286 PWs) bands (ev): -15.7042 -15.7042 -15.3795 -15.3795 -15.3646 -15.3646 -14.6898 -14.6898 -14.6817 -14.6817 -14.6688 -14.6688 -14.4797 -14.4797 -14.4674 -14.4674 -5.8615 -5.8615 -5.8286 -5.8286 -5.6041 -5.6041 -5.5969 -5.5969 -5.5293 -5.5293 -5.2560 -5.2560 -4.1212 -4.1212 -4.1032 -4.1032 -4.0674 -4.0674 -3.5669 -3.5669 -3.5056 -3.5056 -3.4757 -3.4757 -3.3926 -3.3926 -3.3339 -3.3339 -3.2694 -3.2694 -2.7731 -2.7731 -2.6989 -2.6989 -2.6344 -2.6344 -2.5719 -2.5719 -2.5398 -2.5398 -2.5320 -2.5320 -2.4068 -2.4068 -2.2872 -2.2872 -2.2305 -2.2305 k = 0.3977 0.1771 0.6124 ( 9287 PWs) bands (ev): -15.7044 -15.7044 -15.3798 -15.3798 -15.3640 -15.3640 -14.6896 -14.6896 -14.6822 -14.6822 -14.6685 -14.6685 -14.4798 -14.4798 -14.4673 -14.4673 -5.8617 -5.8617 -5.8283 -5.8283 -5.6044 -5.6044 -5.5968 -5.5968 -5.5294 -5.5294 -5.2562 -5.2562 -4.1212 -4.1212 -4.1050 -4.1050 -4.0670 -4.0670 -3.5684 -3.5684 -3.5067 -3.5067 -3.4742 -3.4742 -3.3896 -3.3896 -3.3357 -3.3357 -3.2687 -3.2687 -2.7739 -2.7739 -2.6960 -2.6960 -2.6365 -2.6365 -2.5686 -2.5686 -2.5424 -2.5424 -2.5294 -2.5294 -2.4118 -2.4118 -2.2855 -2.2855 -2.2289 -2.2289 k = 0.3864 0.1968 0.6124 ( 9280 PWs) bands (ev): -15.7045 -15.7045 -15.3800 -15.3800 -15.3637 -15.3637 -14.6895 -14.6895 -14.6825 -14.6825 -14.6683 -14.6683 -14.4799 -14.4799 -14.4673 -14.4673 -5.8619 -5.8619 -5.8281 -5.8281 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1062 -4.1062 -4.0668 -4.0668 -3.5693 -3.5693 -3.5074 -3.5074 -3.4733 -3.4733 -3.3878 -3.3878 -3.3368 -3.3368 -3.2682 -3.2682 -2.7743 -2.7743 -2.6942 -2.6942 -2.6379 -2.6379 -2.5660 -2.5660 -2.5446 -2.5446 -2.5276 -2.5276 -2.4149 -2.4149 -2.2845 -2.2845 -2.2279 -2.2279 k = 0.3750 0.2165 0.6124 ( 9268 PWs) bands (ev): -15.7046 -15.7046 -15.3800 -15.3800 -15.3636 -15.3636 -14.6894 -14.6894 -14.6826 -14.6826 -14.6683 -14.6683 -14.4799 -14.4799 -14.4672 -14.4672 -5.8619 -5.8619 -5.8280 -5.8280 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1066 -4.1066 -4.0667 -4.0667 -3.5696 -3.5696 -3.5077 -3.5077 -3.4729 -3.4729 -3.3872 -3.3872 -3.3372 -3.3372 -3.2680 -3.2680 -2.7745 -2.7745 -2.6936 -2.6936 -2.6383 -2.6383 -2.5650 -2.5650 -2.5454 -2.5454 -2.5270 -2.5270 -2.4160 -2.4160 -2.2842 -2.2842 -2.2275 -2.2275 k = 0.3750 0.2165 0.6124 ( 9268 PWs) bands (ev): -15.7046 -15.7046 -15.3800 -15.3800 -15.3636 -15.3636 -14.6894 -14.6894 -14.6826 -14.6826 -14.6683 -14.6683 -14.4799 -14.4799 -14.4672 -14.4672 -5.8619 -5.8619 -5.8280 -5.8280 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1066 -4.1066 -4.0667 -4.0667 -3.5696 -3.5696 -3.5077 -3.5077 -3.4729 -3.4729 -3.3872 -3.3872 -3.3372 -3.3372 -3.2680 -3.2680 -2.7745 -2.7745 -2.6936 -2.6936 -2.6383 -2.6383 -2.5650 -2.5650 -2.5454 -2.5454 -2.5270 -2.5270 -2.4160 -2.4160 -2.2842 -2.2842 -2.2275 -2.2275 k = 0.3636 0.2099 0.5938 ( 9268 PWs) bands (ev): -15.7057 -15.7057 -15.3787 -15.3787 -15.3637 -15.3637 -14.6890 -14.6890 -14.6821 -14.6821 -14.6693 -14.6693 -14.4791 -14.4791 -14.4678 -14.4678 -5.8600 -5.8600 -5.8294 -5.8294 -5.6056 -5.6056 -5.5965 -5.5965 -5.5300 -5.5300 -5.2574 -5.2574 -4.1230 -4.1230 -4.1069 -4.1069 -4.0714 -4.0714 -3.5600 -3.5600 -3.5035 -3.5035 -3.4743 -3.4743 -3.3975 -3.3975 -3.3401 -3.3401 -3.2719 -3.2719 -2.7682 -2.7682 -2.6973 -2.6973 -2.6361 -2.6361 -2.5661 -2.5661 -2.5452 -2.5452 -2.5190 -2.5190 -2.4031 -2.4031 -2.2926 -2.2926 -2.2286 -2.2286 k = 0.3523 0.2034 0.5753 ( 9270 PWs) bands (ev): -15.7070 -15.7070 -15.3773 -15.3773 -15.3636 -15.3636 -14.6886 -14.6886 -14.6816 -14.6816 -14.6704 -14.6704 -14.4783 -14.4783 -14.4684 -14.4684 -5.8581 -5.8581 -5.8308 -5.8308 -5.6067 -5.6067 -5.5965 -5.5965 -5.5307 -5.5307 -5.2587 -5.2587 -4.1253 -4.1253 -4.1076 -4.1076 -4.0764 -4.0764 -3.5505 -3.5505 -3.5047 -3.5047 -3.4704 -3.4704 -3.4070 -3.4070 -3.3437 -3.3437 -3.2755 -3.2755 -2.7612 -2.7612 -2.6993 -2.6993 -2.6341 -2.6341 -2.5673 -2.5673 -2.5457 -2.5457 -2.5105 -2.5105 -2.3906 -2.3906 -2.3004 -2.3004 -2.2297 -2.2297 k = 0.3409 0.1968 0.5567 ( 9284 PWs) bands (ev): -15.7087 -15.7087 -15.3759 -15.3759 -15.3631 -15.3631 -14.6882 -14.6882 -14.6811 -14.6811 -14.6714 -14.6714 -14.4775 -14.4775 -14.4690 -14.4690 -5.8561 -5.8561 -5.8321 -5.8321 -5.6079 -5.6079 -5.5966 -5.5966 -5.5315 -5.5315 -5.2602 -5.2602 -4.1282 -4.1282 -4.1088 -4.1088 -4.0820 -4.0820 -3.5425 -3.5425 -3.5081 -3.5081 -3.4645 -3.4645 -3.4140 -3.4140 -3.3482 -3.3482 -3.2786 -3.2786 -2.7535 -2.7535 -2.6995 -2.6995 -2.6321 -2.6321 -2.5685 -2.5685 -2.5470 -2.5470 -2.5017 -2.5017 -2.3784 -2.3784 -2.3076 -2.3076 -2.2308 -2.2307 k = 0.3295 0.1903 0.5381 ( 9288 PWs) bands (ev): -15.7106 -15.7106 -15.3744 -15.3744 -15.3624 -15.3624 -14.6878 -14.6878 -14.6806 -14.6806 -14.6725 -14.6725 -14.4767 -14.4767 -14.4695 -14.4695 -5.8541 -5.8541 -5.8333 -5.8333 -5.6092 -5.6092 -5.5968 -5.5968 -5.5325 -5.5325 -5.2620 -5.2620 -4.1315 -4.1315 -4.1106 -4.1106 -4.0879 -4.0879 -3.5390 -3.5390 -3.5086 -3.5086 -3.4616 -3.4616 -3.4158 -3.4158 -3.3538 -3.3538 -3.2808 -3.2808 -2.7449 -2.7449 -2.6977 -2.6977 -2.6303 -2.6303 -2.5699 -2.5699 -2.5493 -2.5493 -2.4927 -2.4927 -2.3666 -2.3666 -2.3137 -2.3137 -2.2317 -2.2317 k = 0.3182 0.1837 0.5196 ( 9265 PWs) bands (ev): -15.7129 -15.7129 -15.3729 -15.3729 -15.3613 -15.3613 -14.6875 -14.6875 -14.6801 -14.6801 -14.6735 -14.6735 -14.4759 -14.4759 -14.4700 -14.4700 -5.8522 -5.8522 -5.8343 -5.8343 -5.6105 -5.6105 -5.5971 -5.5971 -5.5335 -5.5335 -5.2641 -5.2641 -4.1354 -4.1354 -4.1131 -4.1131 -4.0942 -4.0942 -3.5421 -3.5421 -3.5035 -3.5035 -3.4639 -3.4639 -3.4107 -3.4107 -3.3605 -3.3605 -3.2822 -3.2822 -2.7353 -2.7353 -2.6938 -2.6938 -2.6285 -2.6285 -2.5714 -2.5714 -2.5525 -2.5525 -2.4836 -2.4836 -2.3553 -2.3553 -2.3187 -2.3187 -2.2326 -2.2326 k = 0.3068 0.1771 0.5010 ( 9273 PWs) bands (ev): -15.7155 -15.7155 -15.3714 -15.3714 -15.3598 -15.3598 -14.6873 -14.6873 -14.6797 -14.6797 -14.6744 -14.6744 -14.4751 -14.4751 -14.4705 -14.4705 -5.8502 -5.8502 -5.8353 -5.8353 -5.6120 -5.6120 -5.5976 -5.5976 -5.5348 -5.5348 -5.2666 -5.2666 -4.1397 -4.1397 -4.1164 -4.1164 -4.1008 -4.1008 -3.5492 -3.5492 -3.4971 -3.4971 -3.4680 -3.4680 -3.4014 -3.4014 -3.3679 -3.3679 -3.2825 -3.2825 -2.7249 -2.7249 -2.6881 -2.6881 -2.6268 -2.6268 -2.5729 -2.5729 -2.5567 -2.5567 -2.4744 -2.4744 -2.3444 -2.3444 -2.3224 -2.3224 -2.2334 -2.2334 k = 0.2955 0.1706 0.4825 ( 9279 PWs) bands (ev): -15.7184 -15.7184 -15.3699 -15.3699 -15.3579 -15.3579 -14.6871 -14.6871 -14.6793 -14.6793 -14.6753 -14.6753 -14.4744 -14.4744 -14.4709 -14.4709 -5.8484 -5.8484 -5.8361 -5.8361 -5.6135 -5.6135 -5.5984 -5.5984 -5.5363 -5.5363 -5.2693 -5.2693 -4.1445 -4.1445 -4.1205 -4.1205 -4.1075 -4.1075 -3.5577 -3.5577 -3.4958 -3.4958 -3.4673 -3.4673 -3.3932 -3.3932 -3.3731 -3.3731 -3.2819 -3.2819 -2.7134 -2.7134 -2.6804 -2.6804 -2.6250 -2.6250 -2.5746 -2.5746 -2.5616 -2.5616 -2.4653 -2.4653 -2.3342 -2.3342 -2.3248 -2.3248 -2.2340 -2.2340 k = 0.2841 0.1640 0.4639 ( 9273 PWs) bands (ev): -15.7216 -15.7216 -15.3684 -15.3684 -15.3556 -15.3556 -14.6869 -14.6869 -14.6790 -14.6790 -14.6761 -14.6761 -14.4736 -14.4736 -14.4712 -14.4712 -5.8466 -5.8466 -5.8367 -5.8367 -5.6151 -5.6151 -5.5993 -5.5993 -5.5380 -5.5380 -5.2724 -5.2724 -4.1498 -4.1498 -4.1255 -4.1255 -4.1143 -4.1143 -3.5666 -3.5666 -3.5018 -3.5018 -3.4595 -3.4595 -3.3956 -3.3956 -3.3677 -3.3677 -3.2803 -3.2803 -2.7009 -2.7009 -2.6710 -2.6710 -2.6232 -2.6232 -2.5763 -2.5763 -2.5672 -2.5672 -2.4563 -2.4563 -2.3273 -2.3273 -2.3231 -2.3231 -2.2345 -2.2345 k = 0.2727 0.1575 0.4454 ( 9299 PWs) bands (ev): -15.7252 -15.7252 -15.3670 -15.3670 -15.3530 -15.3530 -14.6869 -14.6869 -14.6788 -14.6788 -14.6767 -14.6767 -14.4729 -14.4729 -14.4715 -14.4715 -5.8451 -5.8451 -5.8371 -5.8371 -5.6168 -5.6168 -5.6004 -5.6004 -5.5399 -5.5399 -5.2759 -5.2759 -4.1555 -4.1555 -4.1316 -4.1316 -4.1210 -4.1210 -3.5756 -3.5756 -3.5106 -3.5106 -3.4493 -3.4493 -3.4049 -3.4049 -3.3558 -3.3558 -3.2778 -3.2778 -2.6874 -2.6874 -2.6602 -2.6602 -2.6212 -2.6212 -2.5782 -2.5782 -2.5729 -2.5729 -2.4474 -2.4474 -2.3270 -2.3270 -2.3142 -2.3142 -2.2348 -2.2348 k = 0.2614 0.1509 0.4268 ( 9299 PWs) bands (ev): -15.7290 -15.7290 -15.3656 -15.3656 -15.3499 -15.3499 -14.6869 -14.6869 -14.6787 -14.6787 -14.6771 -14.6771 -14.4722 -14.4722 -14.4717 -14.4717 -5.8437 -5.8437 -5.8372 -5.8372 -5.6184 -5.6184 -5.6018 -5.6018 -5.5419 -5.5419 -5.2797 -5.2797 -4.1617 -4.1617 -4.1385 -4.1385 -4.1278 -4.1278 -3.5844 -3.5844 -3.5202 -3.5202 -3.4399 -3.4399 -3.4146 -3.4146 -3.3426 -3.3426 -3.2745 -3.2745 -2.6728 -2.6728 -2.6483 -2.6483 -2.6187 -2.6187 -2.5810 -2.5810 -2.5780 -2.5780 -2.4388 -2.4388 -2.3262 -2.3262 -2.3053 -2.3053 -2.2348 -2.2348 k = 0.2500 0.1443 0.4082 ( 9295 PWs) bands (ev): -15.7330 -15.7330 -15.3642 -15.3642 -15.3466 -15.3466 -14.6870 -14.6870 -14.6788 -14.6788 -14.6774 -14.6774 -14.4718 -14.4718 -14.4715 -14.4715 -5.8425 -5.8425 -5.8369 -5.8369 -5.6202 -5.6202 -5.6033 -5.6033 -5.5442 -5.5442 -5.2839 -5.2839 -4.1682 -4.1682 -4.1460 -4.1460 -4.1346 -4.1346 -3.5929 -3.5929 -3.5299 -3.5299 -3.4390 -3.4390 -3.4166 -3.4166 -3.3295 -3.3295 -3.2705 -3.2705 -2.6574 -2.6574 -2.6368 -2.6368 -2.6144 -2.6144 -2.5860 -2.5860 -2.5807 -2.5807 -2.4305 -2.4305 -2.3247 -2.3247 -2.2969 -2.2969 -2.2346 -2.2346 k = 0.2386 0.1378 0.3897 ( 9297 PWs) bands (ev): -15.7373 -15.7373 -15.3629 -15.3629 -15.3429 -15.3429 -14.6871 -14.6871 -14.6791 -14.6791 -14.6775 -14.6775 -14.4719 -14.4719 -14.4709 -14.4709 -5.8416 -5.8416 -5.8362 -5.8362 -5.6219 -5.6219 -5.6050 -5.6050 -5.5465 -5.5465 -5.2884 -5.2884 -4.1751 -4.1751 -4.1540 -4.1540 -4.1416 -4.1416 -3.6011 -3.6011 -3.5395 -3.5395 -3.4492 -3.4492 -3.4083 -3.4083 -3.3167 -3.3167 -3.2659 -3.2659 -2.6413 -2.6413 -2.6282 -2.6282 -2.6058 -2.6058 -2.5911 -2.5911 -2.5826 -2.5826 -2.4225 -2.4225 -2.3225 -2.3225 -2.2890 -2.2890 -2.2341 -2.2341 k = 0.2273 0.1312 0.3711 ( 9305 PWs) bands (ev): -15.7417 -15.7417 -15.3617 -15.3617 -15.3389 -15.3389 -14.6873 -14.6873 -14.6794 -14.6794 -14.6775 -14.6775 -14.4718 -14.4718 -14.4703 -14.4703 -5.8409 -5.8409 -5.8353 -5.8353 -5.6237 -5.6237 -5.6070 -5.6070 -5.5491 -5.5491 -5.2932 -5.2932 -4.1824 -4.1824 -4.1622 -4.1622 -4.1490 -4.1490 -3.6088 -3.6088 -3.5487 -3.5487 -3.4623 -3.4623 -3.3977 -3.3977 -3.3046 -3.3046 -3.2607 -3.2607 -2.6255 -2.6255 -2.6238 -2.6238 -2.5950 -2.5950 -2.5919 -2.5919 -2.5842 -2.5842 -2.4148 -2.4148 -2.3198 -2.3198 -2.2816 -2.2816 -2.2334 -2.2334 k = 0.2159 0.1247 0.3526 ( 9313 PWs) bands (ev): -15.7462 -15.7462 -15.3605 -15.3605 -15.3347 -15.3347 -14.6876 -14.6876 -14.6796 -14.6796 -14.6776 -14.6776 -14.4717 -14.4717 -14.4697 -14.4697 -5.8403 -5.8403 -5.8343 -5.8343 -5.6255 -5.6255 -5.6090 -5.6090 -5.5518 -5.5518 -5.2983 -5.2983 -4.1899 -4.1899 -4.1705 -4.1705 -4.1567 -4.1567 -3.6160 -3.6160 -3.5575 -3.5575 -3.4762 -3.4762 -3.3870 -3.3870 -3.2932 -3.2932 -3.2551 -3.2551 -2.6216 -2.6216 -2.6134 -2.6134 -2.5939 -2.5939 -2.5857 -2.5857 -2.5750 -2.5750 -2.4074 -2.4074 -2.3166 -2.3166 -2.2747 -2.2747 -2.2324 -2.2324 k = 0.2045 0.1181 0.3340 ( 9301 PWs) bands (ev): -15.7509 -15.7509 -15.3594 -15.3594 -15.3302 -15.3302 -14.6878 -14.6878 -14.6798 -14.6798 -14.6777 -14.6777 -14.4716 -14.4716 -14.4692 -14.4692 -5.8396 -5.8396 -5.8332 -5.8332 -5.6272 -5.6272 -5.6113 -5.6113 -5.5546 -5.5546 -5.3035 -5.3035 -4.1978 -4.1978 -4.1787 -4.1787 -4.1647 -4.1647 -3.6227 -3.6227 -3.5659 -3.5659 -3.4902 -3.4902 -3.3766 -3.3766 -3.2825 -3.2825 -3.2492 -3.2492 -2.6205 -2.6205 -2.6108 -2.6108 -2.5888 -2.5888 -2.5799 -2.5799 -2.5566 -2.5566 -2.4005 -2.4005 -2.3131 -2.3131 -2.2684 -2.2683 -2.2311 -2.2311 k = 0.1932 0.1115 0.3155 ( 9303 PWs) bands (ev): -15.7555 -15.7555 -15.3584 -15.3584 -15.3257 -15.3257 -14.6881 -14.6881 -14.6801 -14.6801 -14.6778 -14.6778 -14.4713 -14.4713 -14.4687 -14.4687 -5.8389 -5.8389 -5.8322 -5.8322 -5.6289 -5.6289 -5.6136 -5.6136 -5.5575 -5.5575 -5.3090 -5.3090 -4.2058 -4.2058 -4.1869 -4.1869 -4.1729 -4.1729 -3.6290 -3.6290 -3.5738 -3.5738 -3.5041 -3.5041 -3.3667 -3.3667 -3.2724 -3.2724 -3.2432 -3.2432 -2.6202 -2.6202 -2.6116 -2.6116 -2.5898 -2.5898 -2.5631 -2.5631 -2.5371 -2.5371 -2.3940 -2.3940 -2.3093 -2.3093 -2.2626 -2.2626 -2.2295 -2.2295 k = 0.1818 0.1050 0.2969 ( 9287 PWs) bands (ev): -15.7602 -15.7602 -15.3574 -15.3574 -15.3210 -15.3210 -14.6883 -14.6883 -14.6803 -14.6803 -14.6780 -14.6780 -14.4710 -14.4710 -14.4683 -14.4683 -5.8381 -5.8381 -5.8312 -5.8312 -5.6306 -5.6306 -5.6161 -5.6161 -5.5605 -5.5605 -5.3146 -5.3146 -4.2139 -4.2139 -4.1949 -4.1949 -4.1813 -4.1813 -3.6347 -3.6347 -3.5812 -3.5812 -3.5178 -3.5178 -3.3573 -3.3573 -3.2630 -3.2630 -3.2371 -3.2371 -2.6208 -2.6208 -2.6119 -2.6119 -2.5912 -2.5912 -2.5446 -2.5446 -2.5171 -2.5171 -2.3878 -2.3878 -2.3053 -2.3053 -2.2573 -2.2573 -2.2277 -2.2277 k = 0.1705 0.0984 0.2784 ( 9299 PWs) bands (ev): -15.7648 -15.7648 -15.3566 -15.3566 -15.3163 -15.3163 -14.6885 -14.6885 -14.6805 -14.6805 -14.6782 -14.6782 -14.4707 -14.4707 -14.4679 -14.4679 -5.8372 -5.8372 -5.8302 -5.8302 -5.6322 -5.6322 -5.6187 -5.6187 -5.5635 -5.5635 -5.3202 -5.3202 -4.2221 -4.2221 -4.2028 -4.2028 -4.1899 -4.1899 -3.6401 -3.6401 -3.5881 -3.5881 -3.5311 -3.5311 -3.3486 -3.3486 -3.2542 -3.2542 -3.2312 -3.2312 -2.6216 -2.6216 -2.6116 -2.6116 -2.5925 -2.5925 -2.5258 -2.5258 -2.4970 -2.4970 -2.3821 -2.3821 -2.3010 -2.3010 -2.2526 -2.2526 -2.2256 -2.2256 k = 0.1591 0.0919 0.2598 ( 9299 PWs) bands (ev): -15.7694 -15.7694 -15.3558 -15.3558 -15.3116 -15.3116 -14.6887 -14.6887 -14.6806 -14.6806 -14.6784 -14.6784 -14.4703 -14.4703 -14.4676 -14.4676 -5.8362 -5.8362 -5.8294 -5.8294 -5.6338 -5.6338 -5.6213 -5.6213 -5.5666 -5.5666 -5.3259 -5.3259 -4.2302 -4.2302 -4.2104 -4.2104 -4.1984 -4.1984 -3.6450 -3.6450 -3.5945 -3.5945 -3.5439 -3.5439 -3.3404 -3.3404 -3.2459 -3.2459 -3.2256 -3.2256 -2.6222 -2.6222 -2.6110 -2.6110 -2.5938 -2.5938 -2.5070 -2.5070 -2.4769 -2.4769 -2.3768 -2.3768 -2.2965 -2.2965 -2.2484 -2.2484 -2.2234 -2.2234 k = 0.1477 0.0853 0.2412 ( 9319 PWs) bands (ev): -15.7738 -15.7738 -15.3551 -15.3551 -15.3070 -15.3070 -14.6889 -14.6889 -14.6808 -14.6808 -14.6787 -14.6787 -14.4698 -14.4698 -14.4672 -14.4672 -5.8353 -5.8353 -5.8287 -5.8287 -5.6353 -5.6353 -5.6239 -5.6239 -5.5696 -5.5696 -5.3315 -5.3315 -4.2382 -4.2382 -4.2178 -4.2178 -4.2068 -4.2068 -3.6495 -3.6495 -3.6004 -3.6004 -3.5561 -3.5561 -3.3329 -3.3329 -3.2382 -3.2382 -3.2203 -3.2203 -2.6224 -2.6224 -2.6103 -2.6103 -2.5949 -2.5949 -2.4885 -2.4885 -2.4575 -2.4575 -2.3720 -2.3720 -2.2918 -2.2918 -2.2446 -2.2446 -2.2211 -2.2211 k = 0.1364 0.0787 0.2227 ( 9321 PWs) bands (ev): -15.7780 -15.7780 -15.3544 -15.3544 -15.3024 -15.3024 -14.6891 -14.6891 -14.6810 -14.6810 -14.6790 -14.6790 -14.4694 -14.4694 -14.4669 -14.4669 -5.8342 -5.8342 -5.8281 -5.8281 -5.6367 -5.6367 -5.6265 -5.6265 -5.5725 -5.5725 -5.3369 -5.3369 -4.2460 -4.2460 -4.2250 -4.2250 -4.2151 -4.2151 -3.6536 -3.6536 -3.6057 -3.6057 -3.5676 -3.5676 -3.3260 -3.3260 -3.2309 -3.2309 -3.2154 -3.2154 -2.6220 -2.6220 -2.6096 -2.6096 -2.5958 -2.5958 -2.4703 -2.4703 -2.4389 -2.4389 -2.3675 -2.3675 -2.2869 -2.2869 -2.2411 -2.2411 -2.2187 -2.2187 k = 0.1250 0.0722 0.2041 ( 9297 PWs) bands (ev): -15.7821 -15.7821 -15.3539 -15.3539 -15.2981 -15.2981 -14.6893 -14.6893 -14.6811 -14.6811 -14.6793 -14.6793 -14.4689 -14.4689 -14.4667 -14.4667 -5.8332 -5.8332 -5.8276 -5.8276 -5.6380 -5.6380 -5.6291 -5.6291 -5.5754 -5.5754 -5.3422 -5.3422 -4.2535 -4.2535 -4.2318 -4.2318 -4.2231 -4.2231 -3.6574 -3.6574 -3.6106 -3.6106 -3.5783 -3.5783 -3.3196 -3.3196 -3.2242 -3.2242 -3.2108 -3.2108 -2.6211 -2.6211 -2.6088 -2.6088 -2.5966 -2.5966 -2.4527 -2.4527 -2.4215 -2.4215 -2.3634 -2.3634 -2.2816 -2.2816 -2.2379 -2.2379 -2.2164 -2.2164 k = 0.1136 0.0656 0.1856 ( 9313 PWs) bands (ev): -15.7859 -15.7859 -15.3534 -15.3534 -15.2939 -15.2939 -14.6894 -14.6894 -14.6812 -14.6812 -14.6796 -14.6796 -14.4684 -14.4684 -14.4665 -14.4665 -5.8321 -5.8321 -5.8271 -5.8271 -5.6393 -5.6393 -5.6315 -5.6315 -5.5781 -5.5781 -5.3472 -5.3472 -4.2606 -4.2606 -4.2382 -4.2382 -4.2308 -4.2308 -3.6610 -3.6610 -3.6149 -3.6149 -3.5881 -3.5881 -3.3139 -3.3139 -3.2179 -3.2179 -3.2067 -3.2067 -2.6198 -2.6198 -2.6082 -2.6082 -2.5972 -2.5972 -2.4359 -2.4359 -2.4057 -2.4057 -2.3597 -2.3597 -2.2761 -2.2761 -2.2348 -2.2348 -2.2142 -2.2142 k = 0.1023 0.0590 0.1670 ( 9311 PWs) bands (ev): -15.7894 -15.7894 -15.3529 -15.3529 -15.2900 -15.2900 -14.6896 -14.6896 -14.6813 -14.6813 -14.6799 -14.6799 -14.4680 -14.4680 -14.4663 -14.4663 -5.8311 -5.8311 -5.8268 -5.8268 -5.6404 -5.6404 -5.6339 -5.6339 -5.5807 -5.5807 -5.3519 -5.3519 -4.2673 -4.2673 -4.2442 -4.2442 -4.2380 -4.2380 -3.6642 -3.6642 -3.6188 -3.6188 -3.5970 -3.5970 -3.3087 -3.3087 -3.2122 -3.2122 -3.2030 -3.2030 -2.6182 -2.6182 -2.6077 -2.6077 -2.5976 -2.5976 -2.4199 -2.4199 -2.3918 -2.3918 -2.3564 -2.3564 -2.2704 -2.2704 -2.2318 -2.2318 -2.2121 -2.2121 k = 0.0909 0.0525 0.1485 ( 9325 PWs) bands (ev): -15.7927 -15.7927 -15.3525 -15.3525 -15.2863 -15.2863 -14.6897 -14.6897 -14.6814 -14.6814 -14.6802 -14.6802 -14.4675 -14.4675 -14.4661 -14.4661 -5.8301 -5.8301 -5.8265 -5.8265 -5.6414 -5.6414 -5.6361 -5.6361 -5.5831 -5.5831 -5.3563 -5.3563 -4.2735 -4.2735 -4.2497 -4.2497 -4.2447 -4.2447 -3.6672 -3.6672 -3.6221 -3.6221 -3.6050 -3.6050 -3.3041 -3.3041 -3.2071 -3.2071 -3.1997 -3.1997 -2.6164 -2.6164 -2.6073 -2.6073 -2.5979 -2.5979 -2.4051 -2.4051 -2.3799 -2.3799 -2.3534 -2.3534 -2.2647 -2.2647 -2.2286 -2.2286 -2.2103 -2.2103 k = 0.0795 0.0459 0.1299 ( 9345 PWs) bands (ev): -15.7956 -15.7956 -15.3522 -15.3522 -15.2830 -15.2830 -14.6898 -14.6898 -14.6815 -14.6815 -14.6805 -14.6805 -14.4671 -14.4671 -14.4660 -14.4660 -5.8292 -5.8292 -5.8263 -5.8263 -5.6423 -5.6423 -5.6381 -5.6381 -5.5853 -5.5853 -5.3602 -5.3602 -4.2791 -4.2791 -4.2547 -4.2547 -4.2507 -4.2507 -3.6700 -3.6700 -3.6251 -3.6251 -3.6120 -3.6120 -3.3001 -3.3001 -3.2025 -3.2025 -3.1968 -3.1968 -2.6145 -2.6145 -2.6070 -2.6070 -2.5980 -2.5980 -2.3915 -2.3915 -2.3700 -2.3700 -2.3507 -2.3507 -2.2595 -2.2595 -2.2251 -2.2251 -2.2086 -2.2086 k = 0.0682 0.0394 0.1113 ( 9343 PWs) bands (ev): -15.7982 -15.7982 -15.3520 -15.3520 -15.2801 -15.2801 -14.6900 -14.6900 -14.6815 -14.6815 -14.6808 -14.6808 -14.4667 -14.4667 -14.4659 -14.4659 -5.8284 -5.8284 -5.8262 -5.8262 -5.6431 -5.6431 -5.6399 -5.6399 -5.5873 -5.5873 -5.3637 -5.3637 -4.2841 -4.2841 -4.2591 -4.2591 -4.2561 -4.2561 -3.6725 -3.6725 -3.6275 -3.6275 -3.6180 -3.6180 -3.2966 -3.2966 -3.1986 -3.1986 -3.1943 -3.1943 -2.6126 -2.6126 -2.6068 -2.6068 -2.5979 -2.5979 -2.3792 -2.3792 -2.3620 -2.3620 -2.3484 -2.3484 -2.2548 -2.2548 -2.2213 -2.2213 -2.2073 -2.2073 k = 0.0568 0.0328 0.0928 ( 9335 PWs) bands (ev): -15.8004 -15.8004 -15.3517 -15.3517 -15.2775 -15.2775 -14.6901 -14.6901 -14.6815 -14.6815 -14.6810 -14.6810 -14.4664 -14.4664 -14.4658 -14.4658 -5.8277 -5.8277 -5.8260 -5.8260 -5.6437 -5.6437 -5.6415 -5.6415 -5.5890 -5.5890 -5.3667 -5.3667 -4.2885 -4.2885 -4.2629 -4.2629 -4.2608 -4.2608 -3.6747 -3.6747 -3.6296 -3.6296 -3.6230 -3.6230 -3.2936 -3.2936 -3.1952 -3.1952 -3.1922 -3.1922 -2.6108 -2.6108 -2.6066 -2.6066 -2.5977 -2.5977 -2.3686 -2.3686 -2.3558 -2.3558 -2.3462 -2.3462 -2.2511 -2.2511 -2.2171 -2.2171 -2.2061 -2.2061 k = 0.0455 0.0262 0.0742 ( 9331 PWs) bands (ev): -15.8022 -15.8022 -15.3516 -15.3516 -15.2754 -15.2754 -14.6902 -14.6902 -14.6815 -14.6815 -14.6812 -14.6812 -14.4661 -14.4661 -14.4657 -14.4657 -5.8270 -5.8270 -5.8260 -5.8260 -5.6443 -5.6443 -5.6428 -5.6428 -5.5904 -5.5904 -5.3693 -5.3693 -4.2921 -4.2921 -4.2660 -4.2660 -4.2647 -4.2647 -3.6766 -3.6766 -3.6312 -3.6312 -3.6271 -3.6271 -3.2912 -3.2912 -3.1924 -3.1924 -3.1905 -3.1905 -2.6093 -2.6093 -2.6066 -2.6066 -2.5974 -2.5974 -2.3599 -2.3599 -2.3510 -2.3510 -2.3443 -2.3443 -2.2484 -2.2484 -2.2130 -2.2130 -2.2053 -2.2053 k = 0.0341 0.0197 0.0557 ( 9331 PWs) bands (ev): -15.8036 -15.8036 -15.3514 -15.3514 -15.2738 -15.2738 -14.6902 -14.6902 -14.6816 -14.6816 -14.6813 -14.6813 -14.4659 -14.4659 -14.4656 -14.4656 -5.8265 -5.8265 -5.8259 -5.8259 -5.6447 -5.6447 -5.6438 -5.6438 -5.5915 -5.5915 -5.3712 -5.3712 -4.2950 -4.2950 -4.2685 -4.2685 -4.2678 -4.2678 -3.6781 -3.6781 -3.6325 -3.6325 -3.6302 -3.6302 -3.2894 -3.2894 -3.1902 -3.1902 -3.1891 -3.1891 -2.6081 -2.6081 -2.6065 -2.6065 -2.5970 -2.5970 -2.3535 -2.3535 -2.3471 -2.3471 -2.3426 -2.3426 -2.2466 -2.2466 -2.2093 -2.2093 -2.2046 -2.2046 k = 0.0227 0.0131 0.0371 ( 9331 PWs) bands (ev): -15.8047 -15.8047 -15.3513 -15.3513 -15.2726 -15.2726 -14.6903 -14.6903 -14.6816 -14.6816 -14.6815 -14.6815 -14.4657 -14.4657 -14.4656 -14.4656 -5.8262 -5.8262 -5.8259 -5.8259 -5.6450 -5.6450 -5.6446 -5.6446 -5.5923 -5.5923 -5.3727 -5.3727 -4.2971 -4.2971 -4.2703 -4.2703 -4.2700 -4.2700 -3.6793 -3.6793 -3.6334 -3.6334 -3.6324 -3.6324 -3.2880 -3.2880 -3.1887 -3.1887 -3.1882 -3.1882 -2.6072 -2.6072 -2.6065 -2.6065 -2.5967 -2.5967 -2.3498 -2.3498 -2.3436 -2.3436 -2.3413 -2.3413 -2.2454 -2.2454 -2.2063 -2.2063 -2.2041 -2.2041 k = 0.0114 0.0066 0.0186 ( 9359 PWs) bands (ev): -15.8053 -15.8053 -15.3513 -15.3513 -15.2718 -15.2718 -14.6903 -14.6903 -14.6816 -14.6816 -14.6815 -14.6815 -14.4656 -14.4656 -14.4656 -14.4656 -5.8260 -5.8260 -5.8259 -5.8259 -5.6452 -5.6452 -5.6451 -5.6451 -5.5928 -5.5928 -5.3735 -5.3735 -4.2983 -4.2983 -4.2714 -4.2714 -4.2713 -4.2713 -3.6800 -3.6800 -3.6339 -3.6339 -3.6337 -3.6337 -3.2873 -3.2873 -3.1877 -3.1877 -3.1876 -3.1876 -2.6067 -2.6067 -2.6065 -2.6065 -2.5965 -2.5965 -2.3482 -2.3482 -2.3410 -2.3410 -2.3404 -2.3404 -2.2448 -2.2448 -2.2044 -2.2044 -2.2039 -2.2039 k = 0.0000 0.0000 0.0000 ( 9377 PWs) bands (ev): -15.8055 -15.8055 -15.3513 -15.3513 -15.2716 -15.2716 -14.6903 -14.6903 -14.6816 -14.6816 -14.6816 -14.6816 -14.4656 -14.4656 -14.4656 -14.4656 -5.8259 -5.8259 -5.8259 -5.8259 -5.6453 -5.6453 -5.6453 -5.6453 -5.5930 -5.5930 -5.3738 -5.3738 -4.2988 -4.2988 -4.2718 -4.2718 -4.2718 -4.2718 -3.6802 -3.6802 -3.6341 -3.6341 -3.6341 -3.6341 -3.2870 -3.2870 -3.1874 -3.1874 -3.1874 -3.1874 -2.6065 -2.6065 -2.6065 -2.6065 -2.5965 -2.5965 -2.3477 -2.3477 -2.3401 -2.3401 -2.3401 -2.3401 -2.2446 -2.2446 -2.2038 -2.2038 -2.2038 -2.2038 k = 0.0000 0.0000 0.0000 ( 9377 PWs) bands (ev): -15.8055 -15.8055 -15.3513 -15.3513 -15.2716 -15.2716 -14.6903 -14.6903 -14.6816 -14.6816 -14.6816 -14.6816 -14.4656 -14.4656 -14.4656 -14.4656 -5.8259 -5.8259 -5.8259 -5.8259 -5.6453 -5.6453 -5.6453 -5.6453 -5.5930 -5.5930 -5.3738 -5.3738 -4.2988 -4.2988 -4.2718 -4.2718 -4.2718 -4.2718 -3.6802 -3.6802 -3.6341 -3.6341 -3.6341 -3.6341 -3.2870 -3.2870 -3.1874 -3.1874 -3.1874 -3.1874 -2.6065 -2.6065 -2.6065 -2.6065 -2.5965 -2.5965 -2.3477 -2.3477 -2.3401 -2.3401 -2.3401 -2.3401 -2.2446 -2.2446 -2.2038 -2.2038 -2.2038 -2.2038 k = 0.0185 0.0107 0.0076 ( 9359 PWs) bands (ev): -15.8053 -15.8053 -15.3513 -15.3513 -15.2718 -15.2718 -14.6903 -14.6903 -14.6815 -14.6815 -14.6815 -14.6815 -14.4656 -14.4656 -14.4656 -14.4656 -5.8259 -5.8259 -5.8259 -5.8259 -5.6452 -5.6452 -5.6451 -5.6451 -5.5928 -5.5928 -5.3735 -5.3735 -4.2983 -4.2983 -4.2714 -4.2714 -4.2713 -4.2713 -3.6800 -3.6800 -3.6339 -3.6339 -3.6337 -3.6337 -3.2873 -3.2873 -3.1877 -3.1877 -3.1876 -3.1876 -2.6067 -2.6067 -2.6065 -2.6065 -2.5965 -2.5965 -2.3482 -2.3482 -2.3410 -2.3410 -2.3403 -2.3403 -2.2448 -2.2448 -2.2044 -2.2044 -2.2039 -2.2039 k = 0.0370 0.0214 0.0151 ( 9347 PWs) bands (ev): -15.8047 -15.8047 -15.3513 -15.3513 -15.2725 -15.2725 -14.6903 -14.6903 -14.6815 -14.6815 -14.6815 -14.6815 -14.4657 -14.4657 -14.4657 -14.4657 -5.8261 -5.8261 -5.8260 -5.8260 -5.6450 -5.6450 -5.6446 -5.6446 -5.5923 -5.5923 -5.3727 -5.3727 -4.2971 -4.2971 -4.2703 -4.2703 -4.2700 -4.2700 -3.6793 -3.6793 -3.6333 -3.6333 -3.6325 -3.6325 -3.2880 -3.2880 -3.1887 -3.1887 -3.1881 -3.1881 -2.6072 -2.6072 -2.6065 -2.6065 -2.5967 -2.5967 -2.3499 -2.3499 -2.3436 -2.3436 -2.3411 -2.3411 -2.2454 -2.2454 -2.2064 -2.2064 -2.2041 -2.2041 k = 0.0556 0.0321 0.0227 ( 9330 PWs) bands (ev): -15.8036 -15.8036 -15.3514 -15.3514 -15.2737 -15.2737 -14.6902 -14.6902 -14.6815 -14.6815 -14.6814 -14.6814 -14.4658 -14.4658 -14.4658 -14.4658 -5.8264 -5.8264 -5.8261 -5.8261 -5.6447 -5.6447 -5.6438 -5.6438 -5.5915 -5.5915 -5.3713 -5.3713 -4.2950 -4.2950 -4.2685 -4.2685 -4.2678 -4.2678 -3.6781 -3.6781 -3.6323 -3.6323 -3.6304 -3.6304 -3.2894 -3.2894 -3.1903 -3.1903 -3.1890 -3.1890 -2.6081 -2.6081 -2.6065 -2.6065 -2.5970 -2.5970 -2.3542 -2.3542 -2.3465 -2.3465 -2.3424 -2.3424 -2.2466 -2.2466 -2.2094 -2.2094 -2.2044 -2.2044 k = 0.0741 0.0428 0.0302 ( 9321 PWs) bands (ev): -15.8022 -15.8022 -15.3516 -15.3516 -15.2754 -15.2754 -14.6901 -14.6901 -14.6814 -14.6814 -14.6813 -14.6813 -14.4659 -14.4659 -14.4659 -14.4659 -5.8268 -5.8268 -5.8262 -5.8262 -5.6444 -5.6444 -5.6427 -5.6427 -5.5904 -5.5904 -5.3693 -5.3693 -4.2921 -4.2921 -4.2660 -4.2660 -4.2648 -4.2648 -3.6765 -3.6765 -3.6309 -3.6309 -3.6275 -3.6275 -3.2912 -3.2912 -3.1926 -3.1926 -3.1902 -3.1902 -2.6093 -2.6093 -2.6066 -2.6066 -2.5972 -2.5972 -2.3616 -2.3616 -2.3491 -2.3491 -2.3443 -2.3443 -2.2484 -2.2484 -2.2134 -2.2134 -2.2049 -2.2048 k = 0.0926 0.0535 0.0378 ( 9321 PWs) bands (ev): -15.8004 -15.8004 -15.3517 -15.3517 -15.2775 -15.2775 -14.6900 -14.6900 -14.6813 -14.6813 -14.6812 -14.6812 -14.4661 -14.4661 -14.4661 -14.4661 -5.8273 -5.8273 -5.8264 -5.8264 -5.6439 -5.6439 -5.6413 -5.6413 -5.5890 -5.5890 -5.3668 -5.3668 -4.2885 -4.2885 -4.2629 -4.2629 -4.2610 -4.2610 -3.6746 -3.6746 -3.6290 -3.6290 -3.6237 -3.6237 -3.2936 -3.2936 -3.1956 -3.1956 -3.1918 -3.1918 -2.6107 -2.6107 -2.6070 -2.6070 -2.5973 -2.5973 -2.3717 -2.3717 -2.3518 -2.3518 -2.3468 -2.3468 -2.2513 -2.2513 -2.2178 -2.2178 -2.2053 -2.2053 k = 0.1111 0.0642 0.0454 ( 9339 PWs) bands (ev): -15.7982 -15.7982 -15.3520 -15.3520 -15.2800 -15.2800 -14.6899 -14.6899 -14.6813 -14.6813 -14.6810 -14.6810 -14.4663 -14.4663 -14.4663 -14.4663 -5.8279 -5.8279 -5.8266 -5.8266 -5.6433 -5.6433 -5.6397 -5.6397 -5.5873 -5.5873 -5.3638 -5.3638 -4.2842 -4.2842 -4.2591 -4.2591 -4.2564 -4.2564 -3.6722 -3.6722 -3.6268 -3.6268 -3.6190 -3.6190 -3.2966 -3.2966 -3.1992 -3.1992 -3.1936 -3.1936 -2.6123 -2.6123 -2.6076 -2.6076 -2.5971 -2.5971 -2.3841 -2.3841 -2.3549 -2.3549 -2.3499 -2.3499 -2.2557 -2.2557 -2.2220 -2.2220 -2.2058 -2.2058 k = 0.1296 0.0748 0.0529 ( 9327 PWs) bands (ev): -15.7957 -15.7957 -15.3523 -15.3523 -15.2829 -15.2829 -14.6898 -14.6898 -14.6812 -14.6812 -14.6809 -14.6809 -14.4665 -14.4665 -14.4665 -14.4665 -5.8286 -5.8286 -5.8269 -5.8269 -5.6427 -5.6427 -5.6378 -5.6378 -5.5854 -5.5854 -5.3603 -5.3603 -4.2793 -4.2793 -4.2547 -4.2547 -4.2512 -4.2512 -3.6695 -3.6695 -3.6241 -3.6241 -3.6134 -3.6134 -3.3001 -3.3001 -3.2036 -3.2036 -3.1956 -3.1956 -2.6139 -2.6139 -2.6085 -2.6085 -2.5965 -2.5965 -2.3986 -2.3986 -2.3585 -2.3585 -2.3537 -2.3537 -2.2620 -2.2620 -2.2256 -2.2256 -2.2063 -2.2063 k = 0.1481 0.0855 0.0605 ( 9324 PWs) bands (ev): -15.7928 -15.7928 -15.3526 -15.3526 -15.2861 -15.2861 -14.6896 -14.6896 -14.6810 -14.6810 -14.6807 -14.6807 -14.4668 -14.4668 -14.4668 -14.4668 -5.8294 -5.8294 -5.8272 -5.8272 -5.6419 -5.6419 -5.6357 -5.6357 -5.5832 -5.5832 -5.3564 -5.3564 -4.2739 -4.2739 -4.2497 -4.2497 -4.2452 -4.2452 -3.6665 -3.6665 -3.6209 -3.6209 -3.6069 -3.6069 -3.3042 -3.3042 -3.2088 -3.2088 -3.1979 -3.1979 -2.6156 -2.6156 -2.6096 -2.6096 -2.5957 -2.5957 -2.4150 -2.4150 -2.3627 -2.3627 -2.3581 -2.3581 -2.2702 -2.2702 -2.2284 -2.2284 -2.2067 -2.2067 k = 0.1667 0.0962 0.0680 ( 9312 PWs) bands (ev): -15.7896 -15.7896 -15.3531 -15.3531 -15.2896 -15.2896 -14.6895 -14.6895 -14.6809 -14.6809 -14.6804 -14.6804 -14.4671 -14.4671 -14.4671 -14.4671 -5.8302 -5.8302 -5.8276 -5.8276 -5.6410 -5.6410 -5.6334 -5.6334 -5.5808 -5.5808 -5.3521 -5.3521 -4.2679 -4.2679 -4.2442 -4.2442 -4.2388 -4.2388 -3.6631 -3.6631 -3.6173 -3.6173 -3.5994 -3.5994 -3.3090 -3.3090 -3.2147 -3.2147 -3.2003 -3.2003 -2.6172 -2.6172 -2.6108 -2.6108 -2.5946 -2.5946 -2.4332 -2.4332 -2.3674 -2.3674 -2.3631 -2.3631 -2.2802 -2.2802 -2.2303 -2.2303 -2.2069 -2.2069 k = 0.1852 0.1069 0.0756 ( 9324 PWs) bands (ev): -15.7861 -15.7861 -15.3536 -15.3536 -15.2933 -15.2933 -14.6893 -14.6893 -14.6808 -14.6808 -14.6802 -14.6802 -14.4674 -14.4674 -14.4674 -14.4674 -5.8312 -5.8312 -5.8280 -5.8280 -5.6401 -5.6401 -5.6310 -5.6310 -5.5783 -5.5783 -5.3474 -5.3474 -4.2616 -4.2616 -4.2383 -4.2383 -4.2318 -4.2318 -3.6593 -3.6593 -3.6132 -3.6132 -3.5909 -3.5909 -3.3143 -3.3143 -3.2214 -3.2214 -3.2029 -3.2029 -2.6187 -2.6187 -2.6119 -2.6119 -2.5933 -2.5933 -2.4529 -2.4529 -2.3727 -2.3727 -2.3689 -2.3689 -2.2917 -2.2917 -2.2315 -2.2315 -2.2070 -2.2070 k = 0.2037 0.1176 0.0832 ( 9312 PWs) bands (ev): -15.7824 -15.7824 -15.3543 -15.3543 -15.2972 -15.2972 -14.6891 -14.6891 -14.6806 -14.6806 -14.6800 -14.6800 -14.4678 -14.4678 -14.4678 -14.4678 -5.8322 -5.8322 -5.8284 -5.8284 -5.6390 -5.6390 -5.6284 -5.6284 -5.5756 -5.5756 -5.3425 -5.3425 -4.2551 -4.2551 -4.2320 -4.2320 -4.2245 -4.2245 -3.6552 -3.6552 -3.6085 -3.6085 -3.5816 -3.5816 -3.3203 -3.3203 -3.2289 -3.2289 -3.2055 -3.2055 -2.6198 -2.6198 -2.6129 -2.6129 -2.5919 -2.5919 -2.4739 -2.4739 -2.3786 -2.3786 -2.3752 -2.3752 -2.3043 -2.3043 -2.2322 -2.2322 -2.2069 -2.2069 k = 0.2222 0.1283 0.0907 ( 9312 PWs) bands (ev): -15.7785 -15.7785 -15.3551 -15.3551 -15.3012 -15.3012 -14.6889 -14.6889 -14.6805 -14.6805 -14.6797 -14.6797 -14.4681 -14.4681 -14.4681 -14.4681 -5.8332 -5.8332 -5.8289 -5.8289 -5.6379 -5.6379 -5.6258 -5.6258 -5.5728 -5.5728 -5.3373 -5.3373 -4.2484 -4.2484 -4.2254 -4.2254 -4.2168 -4.2168 -3.6507 -3.6507 -3.6034 -3.6034 -3.5713 -3.5713 -3.3270 -3.3270 -3.2373 -3.2373 -3.2082 -3.2082 -2.6207 -2.6207 -2.6138 -2.6138 -2.5903 -2.5903 -2.4961 -2.4961 -2.3849 -2.3849 -2.3821 -2.3821 -2.3177 -2.3177 -2.2325 -2.2325 -2.2067 -2.2067 k = 0.2407 0.1390 0.0983 ( 9312 PWs) bands (ev): -15.7744 -15.7744 -15.3561 -15.3561 -15.3052 -15.3052 -14.6887 -14.6887 -14.6803 -14.6803 -14.6794 -14.6794 -14.4685 -14.4685 -14.4685 -14.4685 -5.8343 -5.8343 -5.8294 -5.8294 -5.6367 -5.6367 -5.6231 -5.6231 -5.5699 -5.5699 -5.3320 -5.3320 -4.2417 -4.2417 -4.2185 -4.2185 -4.2090 -4.2090 -3.6457 -3.6457 -3.5976 -3.5976 -3.5602 -3.5602 -3.3343 -3.3343 -3.2464 -3.2464 -3.2110 -3.2110 -2.6212 -2.6212 -2.6144 -2.6144 -2.5887 -2.5887 -2.5190 -2.5190 -2.3917 -2.3917 -2.3895 -2.3895 -2.3318 -2.3318 -2.2326 -2.2326 -2.2063 -2.2063 k = 0.2593 0.1497 0.1058 ( 9309 PWs) bands (ev): -15.7702 -15.7702 -15.3572 -15.3572 -15.3092 -15.3092 -14.6885 -14.6885 -14.6802 -14.6802 -14.6792 -14.6792 -14.4689 -14.4689 -14.4689 -14.4689 -5.8354 -5.8354 -5.8300 -5.8300 -5.6356 -5.6356 -5.6204 -5.6204 -5.5670 -5.5670 -5.3265 -5.3265 -4.2351 -4.2351 -4.2115 -4.2115 -4.2010 -4.2010 -3.6402 -3.6402 -3.5914 -3.5914 -3.5483 -3.5483 -3.3423 -3.3423 -3.2563 -3.2563 -3.2138 -3.2138 -2.6212 -2.6212 -2.6148 -2.6148 -2.5870 -2.5870 -2.5423 -2.5423 -2.3989 -2.3989 -2.3974 -2.3974 -2.3462 -2.3462 -2.2325 -2.2325 -2.2058 -2.2058 k = 0.2778 0.1604 0.1134 ( 9300 PWs) bands (ev): -15.7659 -15.7659 -15.3586 -15.3586 -15.3129 -15.3129 -14.6883 -14.6883 -14.6800 -14.6800 -14.6789 -14.6789 -14.4692 -14.4692 -14.4692 -14.4692 -5.8364 -5.8364 -5.8305 -5.8305 -5.6343 -5.6343 -5.6177 -5.6177 -5.5642 -5.5642 -5.3211 -5.3211 -4.2286 -4.2286 -4.2043 -4.2043 -4.1931 -4.1931 -3.6343 -3.6343 -3.5845 -3.5845 -3.5356 -3.5356 -3.3510 -3.3510 -3.2669 -3.2669 -3.2167 -3.2167 -2.6207 -2.6207 -2.6150 -2.6150 -2.5854 -2.5854 -2.5656 -2.5656 -2.4064 -2.4064 -2.4056 -2.4056 -2.3608 -2.3608 -2.2321 -2.2321 -2.2052 -2.2052 k = 0.2963 0.1711 0.1210 ( 9300 PWs) bands (ev): -15.7617 -15.7617 -15.3603 -15.3603 -15.3164 -15.3164 -14.6881 -14.6881 -14.6799 -14.6799 -14.6786 -14.6786 -14.4696 -14.4696 -14.4696 -14.4696 -5.8375 -5.8375 -5.8311 -5.8311 -5.6331 -5.6331 -5.6150 -5.6150 -5.5613 -5.5613 -5.3156 -5.3156 -4.2225 -4.2225 -4.1972 -4.1972 -4.1853 -4.1853 -3.6279 -3.6279 -3.5771 -3.5771 -3.5222 -3.5222 -3.3602 -3.3602 -3.2781 -3.2781 -3.2198 -3.2198 -2.6198 -2.6198 -2.6158 -2.6158 -2.5883 -2.5883 -2.5833 -2.5833 -2.4142 -2.4142 -2.4141 -2.4141 -2.3754 -2.3754 -2.2317 -2.2317 -2.2044 -2.2044 k = 0.3148 0.1818 0.1285 ( 9273 PWs) bands (ev): -15.7574 -15.7574 -15.3621 -15.3621 -15.3196 -15.3196 -14.6880 -14.6880 -14.6797 -14.6797 -14.6784 -14.6784 -14.4699 -14.4699 -14.4699 -14.4699 -5.8385 -5.8385 -5.8316 -5.8316 -5.6318 -5.6318 -5.6125 -5.6125 -5.5586 -5.5586 -5.3104 -5.3104 -4.2167 -4.2167 -4.1902 -4.1902 -4.1777 -4.1777 -3.6209 -3.6209 -3.5691 -3.5691 -3.5082 -3.5082 -3.3699 -3.3699 -3.2900 -3.2900 -3.2232 -3.2232 -2.6216 -2.6216 -2.6183 -2.6183 -2.6046 -2.6046 -2.5819 -2.5819 -2.4228 -2.4228 -2.4219 -2.4219 -2.3897 -2.3897 -2.2312 -2.2312 -2.2036 -2.2036 k = 0.3333 0.1925 0.1361 ( 9264 PWs) bands (ev): -15.7533 -15.7533 -15.3643 -15.3643 -15.3224 -15.3224 -14.6878 -14.6878 -14.6796 -14.6796 -14.6781 -14.6781 -14.4702 -14.4702 -14.4702 -14.4702 -5.8395 -5.8395 -5.8321 -5.8321 -5.6306 -5.6306 -5.6101 -5.6101 -5.5560 -5.5560 -5.3053 -5.3053 -4.2113 -4.2113 -4.1834 -4.1834 -4.1704 -4.1704 -3.6134 -3.6134 -3.5606 -3.5606 -3.4939 -3.4939 -3.3800 -3.3800 -3.3024 -3.3024 -3.2270 -3.2270 -2.6392 -2.6392 -2.6164 -2.6164 -2.6082 -2.6082 -2.5803 -2.5803 -2.4315 -2.4315 -2.4299 -2.4299 -2.4036 -2.4036 -2.2306 -2.2306 -2.2028 -2.2028 k = 0.3519 0.2031 0.1436 ( 9273 PWs) bands (ev): -15.7494 -15.7494 -15.3665 -15.3665 -15.3248 -15.3248 -14.6876 -14.6876 -14.6795 -14.6795 -14.6779 -14.6779 -14.4706 -14.4706 -14.4705 -14.4705 -5.8405 -5.8405 -5.8327 -5.8327 -5.6295 -5.6295 -5.6078 -5.6078 -5.5535 -5.5535 -5.3005 -5.3005 -4.2064 -4.2064 -4.1770 -4.1770 -4.1636 -4.1636 -3.6054 -3.6054 -3.5515 -3.5515 -3.4795 -3.4795 -3.3900 -3.3900 -3.3152 -3.3152 -3.2314 -3.2314 -2.6594 -2.6594 -2.6141 -2.6141 -2.6076 -2.6076 -2.5788 -2.5788 -2.4402 -2.4402 -2.4377 -2.4377 -2.4168 -2.4168 -2.2300 -2.2300 -2.2019 -2.2019 k = 0.3704 0.2138 0.1512 ( 9288 PWs) bands (ev): -15.7457 -15.7457 -15.3689 -15.3689 -15.3268 -15.3268 -14.6875 -14.6875 -14.6793 -14.6793 -14.6777 -14.6777 -14.4708 -14.4708 -14.4708 -14.4708 -5.8414 -5.8414 -5.8332 -5.8332 -5.6285 -5.6285 -5.6057 -5.6057 -5.5513 -5.5513 -5.2960 -5.2960 -4.2020 -4.2020 -4.1711 -4.1711 -4.1574 -4.1574 -3.5969 -3.5969 -3.5420 -3.5420 -3.4659 -3.4659 -3.3992 -3.3992 -3.3282 -3.3282 -3.2366 -3.2366 -2.6787 -2.6787 -2.6114 -2.6114 -2.6061 -2.6061 -2.5775 -2.5775 -2.4486 -2.4486 -2.4455 -2.4455 -2.4290 -2.4289 -2.2293 -2.2293 -2.2011 -2.2011 k = 0.3889 0.2245 0.1588 ( 9288 PWs) bands (ev): -15.7423 -15.7423 -15.3713 -15.3713 -15.3284 -15.3284 -14.6874 -14.6874 -14.6792 -14.6792 -14.6775 -14.6775 -14.4711 -14.4711 -14.4711 -14.4711 -5.8421 -5.8421 -5.8336 -5.8336 -5.6275 -5.6275 -5.6039 -5.6039 -5.5493 -5.5493 -5.2920 -5.2920 -4.1982 -4.1982 -4.1657 -4.1657 -4.1517 -4.1517 -3.5880 -3.5880 -3.5321 -3.5321 -3.4548 -3.4548 -3.4059 -3.4059 -3.3413 -3.3413 -3.2426 -3.2426 -2.6963 -2.6963 -2.6084 -2.6084 -2.6043 -2.6043 -2.5762 -2.5762 -2.4567 -2.4567 -2.4530 -2.4530 -2.4399 -2.4399 -2.2288 -2.2288 -2.2003 -2.2003 k = 0.4074 0.2352 0.1663 ( 9294 PWs) bands (ev): -15.7393 -15.7393 -15.3735 -15.3735 -15.3297 -15.3297 -14.6873 -14.6873 -14.6791 -14.6791 -14.6774 -14.6774 -14.4713 -14.4713 -14.4713 -14.4713 -5.8428 -5.8428 -5.8340 -5.8340 -5.6267 -5.6267 -5.6023 -5.6023 -5.5476 -5.5476 -5.2885 -5.2885 -4.1950 -4.1950 -4.1610 -4.1610 -4.1468 -4.1468 -3.5788 -3.5788 -3.5220 -3.5220 -3.4501 -3.4501 -3.4062 -3.4062 -3.3543 -3.3543 -3.2494 -3.2494 -2.7118 -2.7118 -2.6053 -2.6053 -2.6023 -2.6023 -2.5751 -2.5751 -2.4641 -2.4641 -2.4601 -2.4601 -2.4493 -2.4493 -2.2282 -2.2282 -2.1996 -2.1996 k = 0.4259 0.2459 0.1739 ( 9291 PWs) bands (ev): -15.7368 -15.7368 -15.3755 -15.3755 -15.3307 -15.3307 -14.6872 -14.6872 -14.6791 -14.6791 -14.6772 -14.6772 -14.4715 -14.4715 -14.4715 -14.4715 -5.8434 -5.8434 -5.8344 -5.8344 -5.6260 -5.6260 -5.6009 -5.6009 -5.5461 -5.5461 -5.2855 -5.2855 -4.1923 -4.1923 -4.1570 -4.1570 -4.1427 -4.1427 -3.5696 -3.5696 -3.5121 -3.5121 -3.4534 -3.4534 -3.3987 -3.3987 -3.3667 -3.3667 -3.2570 -3.2570 -2.7248 -2.7248 -2.6023 -2.6023 -2.6003 -2.6003 -2.5741 -2.5741 -2.4708 -2.4708 -2.4666 -2.4666 -2.4571 -2.4571 -2.2277 -2.2277 -2.1990 -2.1990 k = 0.4444 0.2566 0.1814 ( 9303 PWs) bands (ev): -15.7347 -15.7347 -15.3772 -15.3772 -15.3314 -15.3314 -14.6871 -14.6871 -14.6790 -14.6790 -14.6771 -14.6771 -14.4716 -14.4716 -14.4716 -14.4716 -5.8438 -5.8438 -5.8347 -5.8347 -5.6254 -5.6254 -5.5999 -5.5999 -5.5449 -5.5449 -5.2832 -5.2832 -4.1902 -4.1902 -4.1539 -4.1539 -4.1394 -4.1394 -3.5607 -3.5607 -3.5026 -3.5026 -3.4606 -3.4606 -3.3877 -3.3877 -3.3781 -3.3781 -3.2651 -3.2651 -2.7352 -2.7352 -2.5996 -2.5996 -2.5986 -2.5986 -2.5734 -2.5734 -2.4764 -2.4764 -2.4721 -2.4721 -2.4631 -2.4631 -2.2274 -2.2274 -2.1985 -2.1985 k = 0.4630 0.2673 0.1890 ( 9303 PWs) bands (ev): -15.7332 -15.7332 -15.3784 -15.3784 -15.3319 -15.3319 -14.6871 -14.6871 -14.6789 -14.6789 -14.6770 -14.6770 -14.4718 -14.4718 -14.4718 -14.4718 -5.8442 -5.8442 -5.8349 -5.8349 -5.6250 -5.6250 -5.5991 -5.5991 -5.5441 -5.5441 -5.2815 -5.2815 -4.1887 -4.1887 -4.1516 -4.1516 -4.1371 -4.1371 -3.5528 -3.5528 -3.4944 -3.4944 -3.4682 -3.4682 -3.3878 -3.3878 -3.3768 -3.3768 -3.2727 -3.2727 -2.7427 -2.7427 -2.5974 -2.5974 -2.5972 -2.5972 -2.5728 -2.5728 -2.4806 -2.4806 -2.4763 -2.4763 -2.4675 -2.4675 -2.2271 -2.2271 -2.1981 -2.1981 k = 0.4815 0.2780 0.1966 ( 9312 PWs) bands (ev): -15.7323 -15.7323 -15.3792 -15.3792 -15.3322 -15.3322 -14.6871 -14.6871 -14.6789 -14.6789 -14.6770 -14.6770 -14.4718 -14.4718 -14.4718 -14.4718 -5.8444 -5.8444 -5.8350 -5.8350 -5.6248 -5.6248 -5.5987 -5.5987 -5.5436 -5.5436 -5.2804 -5.2804 -4.1878 -4.1878 -4.1502 -4.1502 -4.1356 -4.1356 -3.5470 -3.5470 -3.4886 -3.4886 -3.4741 -3.4741 -3.3945 -3.3945 -3.3688 -3.3688 -3.2786 -3.2786 -2.7472 -2.7472 -2.5963 -2.5963 -2.5960 -2.5960 -2.5725 -2.5725 -2.4833 -2.4833 -2.4789 -2.4789 -2.4701 -2.4701 -2.2269 -2.2269 -2.1979 -2.1979 k = 0.5000 0.2887 0.2041 ( 9264 PWs) bands (ev): -15.7320 -15.7320 -15.3795 -15.3795 -15.3323 -15.3323 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4718 -14.4718 -14.4718 -14.4718 -5.8444 -5.8444 -5.8350 -5.8350 -5.6246 -5.6246 -5.5985 -5.5985 -5.5434 -5.5434 -5.2801 -5.2801 -4.1875 -4.1875 -4.1497 -4.1497 -4.1351 -4.1351 -3.5448 -3.5448 -3.4864 -3.4864 -3.4764 -3.4764 -3.3969 -3.3969 -3.3657 -3.3657 -3.2809 -3.2809 -2.7487 -2.7487 -2.5960 -2.5960 -2.5955 -2.5955 -2.5723 -2.5723 -2.4842 -2.4842 -2.4798 -2.4798 -2.4710 -2.4710 -2.2268 -2.2268 -2.1978 -2.1978 k = 0.5000 0.2887 0.2041 ( 9264 PWs) bands (ev): -15.7320 -15.7320 -15.3795 -15.3795 -15.3323 -15.3323 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4718 -14.4718 -14.4718 -14.4718 -5.8444 -5.8444 -5.8350 -5.8350 -5.6246 -5.6246 -5.5985 -5.5985 -5.5434 -5.5434 -5.2801 -5.2801 -4.1875 -4.1875 -4.1497 -4.1497 -4.1351 -4.1351 -3.5448 -3.5448 -3.4864 -3.4864 -3.4764 -3.4764 -3.3969 -3.3969 -3.3657 -3.3657 -3.2809 -3.2809 -2.7487 -2.7487 -2.5960 -2.5960 -2.5955 -2.5955 -2.5723 -2.5723 -2.4842 -2.4842 -2.4798 -2.4798 -2.4710 -2.4710 -2.2268 -2.2268 -2.1978 -2.1978 k = 0.5066 0.2697 0.2149 ( 9308 PWs) bands (ev): -15.7319 -15.7319 -15.3794 -15.3794 -15.3325 -15.3325 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4719 -14.4719 -14.4718 -14.4718 -5.8445 -5.8445 -5.8351 -5.8351 -5.6246 -5.6246 -5.5985 -5.5985 -5.5434 -5.5434 -5.2799 -5.2799 -4.1871 -4.1871 -4.1494 -4.1494 -4.1349 -4.1349 -3.5448 -3.5448 -3.4868 -3.4868 -3.4760 -3.4760 -3.3970 -3.3970 -3.3655 -3.3655 -3.2812 -3.2812 -2.7488 -2.7488 -2.5960 -2.5960 -2.5953 -2.5953 -2.5726 -2.5726 -2.4927 -2.4927 -2.4777 -2.4777 -2.4649 -2.4649 -2.2273 -2.2273 -2.1983 -2.1983 k = 0.5132 0.2507 0.2256 ( 9302 PWs) bands (ev): -15.7315 -15.7315 -15.3793 -15.3793 -15.3331 -15.3331 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4720 -14.4720 -14.4718 -14.4718 -5.8445 -5.8445 -5.8352 -5.8352 -5.6243 -5.6243 -5.5984 -5.5984 -5.5431 -5.5431 -5.2796 -5.2796 -4.1859 -4.1859 -4.1485 -4.1485 -4.1341 -4.1341 -3.5446 -3.5446 -3.4878 -3.4878 -3.4750 -3.4750 -3.3974 -3.3974 -3.3649 -3.3649 -3.2821 -3.2821 -2.7490 -2.7490 -2.5961 -2.5961 -2.5946 -2.5946 -2.5735 -2.5735 -2.5048 -2.5048 -2.4771 -2.4771 -2.4545 -2.4545 -2.2286 -2.2286 -2.1998 -2.1998 k = 0.5197 0.2317 0.2364 ( 9304 PWs) bands (ev): -15.7308 -15.7308 -15.3792 -15.3792 -15.3340 -15.3340 -14.6870 -14.6870 -14.6789 -14.6789 -14.6769 -14.6769 -14.4721 -14.4721 -14.4717 -14.4717 -5.8446 -5.8446 -5.8354 -5.8354 -5.6238 -5.6238 -5.5983 -5.5983 -5.5428 -5.5428 -5.2790 -5.2790 -4.1838 -4.1838 -4.1471 -4.1471 -4.1328 -4.1328 -3.5443 -3.5443 -3.4891 -3.4891 -3.4737 -3.4737 -3.3979 -3.3979 -3.3638 -3.3638 -3.2836 -3.2836 -2.7493 -2.7493 -2.5966 -2.5966 -2.5933 -2.5933 -2.5748 -2.5748 -2.5176 -2.5176 -2.4768 -2.4768 -2.4438 -2.4438 -2.2310 -2.2310 -2.2022 -2.2022 k = 0.5263 0.2127 0.2471 ( 9297 PWs) bands (ev): -15.7298 -15.7298 -15.3790 -15.3790 -15.3354 -15.3354 -14.6870 -14.6870 -14.6789 -14.6789 -14.6769 -14.6769 -14.4724 -14.4724 -14.4716 -14.4716 -5.8447 -5.8447 -5.8355 -5.8355 -5.6231 -5.6231 -5.5982 -5.5982 -5.5423 -5.5423 -5.2782 -5.2782 -4.1810 -4.1810 -4.1451 -4.1451 -4.1309 -4.1309 -3.5440 -3.5440 -3.4907 -3.4907 -3.4722 -3.4722 -3.3987 -3.3987 -3.3623 -3.3623 -3.2856 -3.2856 -2.7497 -2.7497 -2.5975 -2.5975 -2.5916 -2.5916 -2.5762 -2.5762 -2.5308 -2.5308 -2.4766 -2.4766 -2.4333 -2.4333 -2.2344 -2.2344 -2.2052 -2.2052 k = 0.5329 0.1937 0.2578 ( 9293 PWs) bands (ev): -15.7286 -15.7286 -15.3787 -15.3787 -15.3370 -15.3370 -14.6870 -14.6870 -14.6789 -14.6789 -14.6767 -14.6767 -14.4727 -14.4727 -14.4714 -14.4714 -5.8450 -5.8450 -5.8357 -5.8357 -5.6223 -5.6223 -5.5981 -5.5981 -5.5416 -5.5416 -5.2772 -5.2772 -4.1776 -4.1776 -4.1426 -4.1426 -4.1285 -4.1285 -3.5436 -3.5436 -3.4924 -3.4924 -3.4706 -3.4706 -3.3998 -3.3998 -3.3601 -3.3601 -3.2881 -3.2881 -2.7502 -2.7502 -2.5989 -2.5989 -2.5896 -2.5896 -2.5777 -2.5777 -2.5439 -2.5439 -2.4766 -2.4766 -2.4233 -2.4233 -2.2389 -2.2389 -2.2086 -2.2086 k = 0.5395 0.1747 0.2686 ( 9291 PWs) bands (ev): -15.7272 -15.7272 -15.3784 -15.3784 -15.3390 -15.3390 -14.6870 -14.6870 -14.6790 -14.6790 -14.6765 -14.6765 -14.4730 -14.4730 -14.4712 -14.4712 -5.8454 -5.8454 -5.8358 -5.8358 -5.6212 -5.6212 -5.5979 -5.5979 -5.5409 -5.5409 -5.2760 -5.2760 -4.1736 -4.1736 -4.1398 -4.1398 -4.1256 -4.1256 -3.5432 -3.5432 -3.4942 -3.4942 -3.4691 -3.4691 -3.4011 -3.4011 -3.3573 -3.3573 -3.2909 -3.2909 -2.7508 -2.7508 -2.6011 -2.6011 -2.5879 -2.5879 -2.5791 -2.5791 -2.5565 -2.5565 -2.4769 -2.4769 -2.4138 -2.4138 -2.2447 -2.2447 -2.2120 -2.2120 k = 0.5461 0.1557 0.2793 ( 9294 PWs) bands (ev): -15.7256 -15.7256 -15.3781 -15.3781 -15.3413 -15.3413 -14.6870 -14.6870 -14.6791 -14.6791 -14.6762 -14.6762 -14.4734 -14.4734 -14.4710 -14.4710 -5.8461 -5.8461 -5.8358 -5.8358 -5.6201 -5.6201 -5.5977 -5.5977 -5.5400 -5.5400 -5.2746 -5.2746 -4.1690 -4.1690 -4.1366 -4.1366 -4.1222 -4.1222 -3.5428 -3.5428 -3.4961 -3.4961 -3.4677 -3.4677 -3.4026 -3.4026 -3.3539 -3.3539 -3.2940 -3.2940 -2.7513 -2.7513 -2.6041 -2.6041 -2.5882 -2.5882 -2.5806 -2.5806 -2.5662 -2.5662 -2.4777 -2.4777 -2.4049 -2.4049 -2.2516 -2.2516 -2.2153 -2.2153 k = 0.5526 0.1367 0.2901 ( 9288 PWs) bands (ev): -15.7238 -15.7238 -15.3777 -15.3777 -15.3437 -15.3437 -14.6871 -14.6871 -14.6793 -14.6793 -14.6757 -14.6757 -14.4739 -14.4739 -14.4708 -14.4708 -5.8469 -5.8469 -5.8356 -5.8356 -5.6188 -5.6188 -5.5975 -5.5975 -5.5391 -5.5391 -5.2731 -5.2731 -4.1641 -4.1641 -4.1332 -4.1332 -4.1183 -4.1183 -3.5425 -3.5425 -3.4980 -3.4980 -3.4663 -3.4663 -3.4043 -3.4043 -3.3500 -3.3500 -3.2971 -3.2971 -2.7518 -2.7518 -2.6080 -2.6080 -2.5951 -2.5951 -2.5806 -2.5806 -2.5698 -2.5698 -2.4789 -2.4789 -2.3967 -2.3967 -2.2595 -2.2595 -2.2183 -2.2183 k = 0.5592 0.1177 0.3008 ( 9292 PWs) bands (ev): -15.7218 -15.7218 -15.3774 -15.3774 -15.3464 -15.3464 -14.6872 -14.6872 -14.6795 -14.6795 -14.6752 -14.6752 -14.4744 -14.4744 -14.4705 -14.4705 -5.8480 -5.8480 -5.8352 -5.8352 -5.6174 -5.6174 -5.5974 -5.5974 -5.5381 -5.5381 -5.2714 -5.2714 -4.1590 -4.1590 -4.1298 -4.1298 -4.1139 -4.1139 -3.5422 -3.5422 -3.4998 -3.4998 -3.4653 -3.4653 -3.4059 -3.4059 -3.3458 -3.3458 -3.2999 -3.2999 -2.7523 -2.7523 -2.6143 -2.6143 -2.6049 -2.6049 -2.5795 -2.5795 -2.5690 -2.5690 -2.4808 -2.4808 -2.3893 -2.3893 -2.2680 -2.2680 -2.2210 -2.2210 k = 0.5658 0.0988 0.3116 ( 9292 PWs) bands (ev): -15.7198 -15.7198 -15.3770 -15.3770 -15.3491 -15.3491 -14.6873 -14.6873 -14.6798 -14.6798 -14.6746 -14.6746 -14.4749 -14.4749 -14.4702 -14.4702 -5.8493 -5.8493 -5.8348 -5.8348 -5.6160 -5.6160 -5.5972 -5.5972 -5.5370 -5.5370 -5.2697 -5.2697 -4.1538 -4.1538 -4.1263 -4.1263 -4.1092 -4.1092 -3.5423 -3.5423 -3.5016 -3.5016 -3.4645 -3.4645 -3.4074 -3.4074 -3.3417 -3.3417 -3.3021 -3.3021 -2.7527 -2.7527 -2.6252 -2.6252 -2.6116 -2.6116 -2.5783 -2.5783 -2.5665 -2.5665 -2.4833 -2.4833 -2.3830 -2.3830 -2.2768 -2.2768 -2.2232 -2.2232 k = 0.5724 0.0798 0.3223 ( 9292 PWs) bands (ev): -15.7177 -15.7177 -15.3767 -15.3767 -15.3519 -15.3519 -14.6875 -14.6875 -14.6801 -14.6801 -14.6740 -14.6740 -14.4755 -14.4755 -14.4699 -14.4699 -5.8506 -5.8506 -5.8342 -5.8342 -5.6145 -5.6145 -5.5970 -5.5970 -5.5360 -5.5360 -5.2679 -5.2679 -4.1486 -4.1486 -4.1228 -4.1228 -4.1040 -4.1040 -3.5427 -3.5427 -3.5031 -3.5031 -3.4642 -3.4642 -3.4086 -3.4086 -3.3383 -3.3383 -3.3028 -3.3028 -2.7532 -2.7532 -2.6384 -2.6384 -2.6162 -2.6162 -2.5770 -2.5770 -2.5634 -2.5634 -2.4865 -2.4865 -2.3783 -2.3783 -2.2851 -2.2851 -2.2251 -2.2251 k = 0.5789 0.0608 0.3330 ( 9294 PWs) bands (ev): -15.7155 -15.7155 -15.3765 -15.3765 -15.3546 -15.3546 -14.6877 -14.6877 -14.6804 -14.6804 -14.6733 -14.6733 -14.4760 -14.4760 -14.4696 -14.4696 -5.8521 -5.8521 -5.8336 -5.8336 -5.6130 -5.6130 -5.5968 -5.5968 -5.5349 -5.5349 -5.2660 -5.2660 -4.1436 -4.1436 -4.1195 -4.1195 -4.0987 -4.0987 -3.5437 -3.5437 -3.5041 -3.5041 -3.4644 -3.4644 -3.4092 -3.4092 -3.3363 -3.3362 -3.3015 -3.3015 -2.7538 -2.7538 -2.6517 -2.6517 -2.6202 -2.6202 -2.5756 -2.5756 -2.5600 -2.5600 -2.4904 -2.4904 -2.3755 -2.3755 -2.2922 -2.2922 -2.2265 -2.2265 k = 0.5855 0.0418 0.3438 ( 9294 PWs) bands (ev): -15.7134 -15.7134 -15.3764 -15.3764 -15.3571 -15.3571 -14.6879 -14.6879 -14.6807 -14.6807 -14.6725 -14.6725 -14.4766 -14.4766 -14.4693 -14.4693 -5.8536 -5.8536 -5.8329 -5.8329 -5.6114 -5.6114 -5.5967 -5.5967 -5.5338 -5.5338 -5.2642 -5.2642 -4.1388 -4.1388 -4.1165 -4.1165 -4.0932 -4.0932 -3.5453 -3.5453 -3.5047 -3.5047 -3.4653 -3.4653 -3.4090 -3.4090 -3.3358 -3.3358 -3.2981 -3.2981 -2.7548 -2.7548 -2.6643 -2.6643 -2.6239 -2.6239 -2.5740 -2.5740 -2.5566 -2.5566 -2.4948 -2.4948 -2.3755 -2.3755 -2.2971 -2.2971 -2.2276 -2.2276 k = 0.5921 0.0228 0.3545 ( 9286 PWs) bands (ev): -15.7114 -15.7114 -15.3764 -15.3764 -15.3594 -15.3594 -14.6882 -14.6882 -14.6810 -14.6810 -14.6718 -14.6718 -14.4772 -14.4772 -14.4690 -14.4690 -5.8551 -5.8551 -5.8321 -5.8321 -5.6100 -5.6100 -5.5966 -5.5966 -5.5328 -5.5328 -5.2625 -5.2625 -4.1344 -4.1344 -4.1137 -4.1137 -4.0878 -4.0878 -3.5477 -3.5477 -3.5047 -3.5047 -3.4669 -3.4669 -3.4078 -3.4078 -3.3364 -3.3364 -3.2930 -3.2930 -2.7563 -2.7563 -2.6754 -2.6754 -2.6272 -2.6272 -2.5723 -2.5723 -2.5535 -2.5535 -2.4998 -2.4998 -2.3784 -2.3784 -2.2995 -2.2995 -2.2283 -2.2283 k = 0.5987 0.0038 0.3653 ( 9274 PWs) bands (ev): -15.7095 -15.7095 -15.3768 -15.3768 -15.3612 -15.3612 -14.6884 -14.6884 -14.6814 -14.6814 -14.6710 -14.6710 -14.4778 -14.4778 -14.4686 -14.4686 -5.8566 -5.8566 -5.8313 -5.8313 -5.6086 -5.6086 -5.5965 -5.5965 -5.5319 -5.5319 -5.2608 -5.2608 -4.1305 -4.1305 -4.1113 -4.1113 -4.0826 -4.0826 -3.5509 -3.5509 -3.5043 -3.5043 -3.4691 -3.4691 -3.4055 -3.4055 -3.3374 -3.3374 -3.2871 -3.2871 -2.7586 -2.7586 -2.6844 -2.6844 -2.6302 -2.6302 -2.5706 -2.5706 -2.5506 -2.5506 -2.5052 -2.5052 -2.3839 -2.3839 -2.2992 -2.2992 -2.2286 -2.2286 k = 0.6053-0.0152 0.3760 ( 9268 PWs) bands (ev): -15.7079 -15.7079 -15.3774 -15.3774 -15.3625 -15.3625 -14.6887 -14.6887 -14.6817 -14.6817 -14.6703 -14.6703 -14.4784 -14.4784 -14.4683 -14.4683 -5.8581 -5.8581 -5.8305 -5.8305 -5.6073 -5.6073 -5.5965 -5.5965 -5.5311 -5.5311 -5.2593 -5.2593 -4.1272 -4.1272 -4.1094 -4.1094 -4.0778 -4.0778 -3.5548 -3.5548 -3.5037 -3.5037 -3.4715 -3.4715 -3.4022 -3.4022 -3.3382 -3.3382 -3.2812 -3.2812 -2.7619 -2.7619 -2.6908 -2.6908 -2.6328 -2.6328 -2.5690 -2.5690 -2.5483 -2.5483 -2.5108 -2.5108 -2.3913 -2.3913 -2.2970 -2.2970 -2.2287 -2.2287 k = 0.6118-0.0342 0.3868 ( 9272 PWs) bands (ev): -15.7064 -15.7064 -15.3782 -15.3782 -15.3632 -15.3632 -14.6889 -14.6889 -14.6820 -14.6820 -14.6696 -14.6696 -14.4789 -14.4789 -14.4679 -14.4679 -5.8595 -5.8595 -5.8297 -5.8297 -5.6062 -5.6062 -5.5965 -5.5965 -5.5304 -5.5304 -5.2581 -5.2581 -4.1245 -4.1245 -4.1079 -4.1079 -4.0734 -4.0734 -3.5593 -3.5593 -3.5037 -3.5037 -3.4734 -3.4734 -3.3980 -3.3980 -3.3386 -3.3386 -3.2757 -3.2757 -2.7661 -2.7661 -2.6944 -2.6944 -2.6350 -2.6350 -2.5673 -2.5673 -2.5465 -2.5465 -2.5166 -2.5166 -2.3996 -2.3996 -2.2934 -2.2934 -2.2285 -2.2285 k = 0.6184-0.0532 0.3975 ( 9267 PWs) bands (ev): -15.7053 -15.7053 -15.3792 -15.3792 -15.3636 -15.3636 -14.6892 -14.6892 -14.6823 -14.6823 -14.6689 -14.6689 -14.4794 -14.4794 -14.4676 -14.4676 -5.8607 -5.8607 -5.8288 -5.8288 -5.6053 -5.6053 -5.5966 -5.5966 -5.5299 -5.5299 -5.2570 -5.2570 -4.1224 -4.1224 -4.1069 -4.1069 -4.0697 -4.0697 -3.5643 -3.5643 -3.5048 -3.5048 -3.4741 -3.4741 -3.3930 -3.3930 -3.3383 -3.3383 -3.2712 -3.2712 -2.7705 -2.7705 -2.6952 -2.6952 -2.6368 -2.6368 -2.5660 -2.5660 -2.5456 -2.5456 -2.5221 -2.5221 -2.4081 -2.4081 -2.2890 -2.2890 -2.2281 -2.2281 k = 0.6250-0.0722 0.4082 ( 9268 PWs) bands (ev): -15.7046 -15.7046 -15.3800 -15.3800 -15.3636 -15.3636 -14.6894 -14.6894 -14.6826 -14.6826 -14.6683 -14.6683 -14.4799 -14.4799 -14.4672 -14.4672 -5.8619 -5.8619 -5.8280 -5.8280 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1066 -4.1066 -4.0667 -4.0667 -3.5696 -3.5696 -3.5077 -3.5077 -3.4729 -3.4729 -3.3872 -3.3872 -3.3372 -3.3372 -3.2680 -3.2680 -2.7745 -2.7745 -2.6936 -2.6936 -2.6383 -2.6383 -2.5650 -2.5650 -2.5454 -2.5454 -2.5270 -2.5270 -2.4160 -2.4160 -2.2842 -2.2842 -2.2275 -2.2275 k = 0.6250-0.0722 0.4082 ( 9268 PWs) bands (ev): -15.7046 -15.7046 -15.3800 -15.3800 -15.3636 -15.3636 -14.6894 -14.6894 -14.6826 -14.6826 -14.6683 -14.6683 -14.4799 -14.4799 -14.4672 -14.4672 -5.8619 -5.8619 -5.8280 -5.8280 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1066 -4.1066 -4.0667 -4.0667 -3.5696 -3.5696 -3.5077 -3.5077 -3.4729 -3.4729 -3.3872 -3.3872 -3.3372 -3.3372 -3.2680 -3.2680 -2.7745 -2.7745 -2.6936 -2.6936 -2.6383 -2.6383 -2.5650 -2.5650 -2.5454 -2.5454 -2.5270 -2.5270 -2.4160 -2.4160 -2.2842 -2.2842 -2.2275 -2.2275 k = 0.6136-0.0656 0.4268 ( 9280 PWs) bands (ev): -15.7045 -15.7045 -15.3800 -15.3800 -15.3637 -15.3637 -14.6895 -14.6895 -14.6825 -14.6825 -14.6683 -14.6683 -14.4799 -14.4799 -14.4673 -14.4673 -5.8619 -5.8619 -5.8281 -5.8281 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1062 -4.1062 -4.0668 -4.0668 -3.5693 -3.5693 -3.5074 -3.5074 -3.4733 -3.4733 -3.3878 -3.3878 -3.3368 -3.3368 -3.2682 -3.2682 -2.7743 -2.7743 -2.6942 -2.6942 -2.6379 -2.6379 -2.5660 -2.5660 -2.5446 -2.5446 -2.5276 -2.5276 -2.4149 -2.4149 -2.2845 -2.2845 -2.2279 -2.2279 k = 0.6023-0.0590 0.4454 ( 9287 PWs) bands (ev): -15.7044 -15.7044 -15.3798 -15.3798 -15.3640 -15.3640 -14.6896 -14.6896 -14.6822 -14.6822 -14.6685 -14.6685 -14.4798 -14.4798 -14.4673 -14.4673 -5.8617 -5.8617 -5.8283 -5.8283 -5.6044 -5.6044 -5.5968 -5.5968 -5.5294 -5.5294 -5.2562 -5.2562 -4.1212 -4.1212 -4.1050 -4.1050 -4.0670 -4.0670 -3.5684 -3.5684 -3.5067 -3.5067 -3.4742 -3.4742 -3.3896 -3.3896 -3.3357 -3.3357 -3.2687 -3.2687 -2.7739 -2.7739 -2.6960 -2.6960 -2.6365 -2.6365 -2.5686 -2.5686 -2.5424 -2.5424 -2.5294 -2.5294 -2.4118 -2.4118 -2.2855 -2.2855 -2.2289 -2.2289 k = 0.5909-0.0525 0.4639 ( 9286 PWs) bands (ev): -15.7042 -15.7042 -15.3795 -15.3795 -15.3646 -15.3646 -14.6898 -14.6898 -14.6817 -14.6817 -14.6688 -14.6688 -14.4797 -14.4797 -14.4674 -14.4674 -5.8615 -5.8615 -5.8286 -5.8286 -5.6041 -5.6041 -5.5969 -5.5969 -5.5293 -5.5293 -5.2560 -5.2560 -4.1212 -4.1212 -4.1032 -4.1032 -4.0674 -4.0674 -3.5669 -3.5669 -3.5056 -3.5056 -3.4757 -3.4757 -3.3926 -3.3926 -3.3339 -3.3339 -3.2694 -3.2694 -2.7731 -2.7731 -2.6989 -2.6989 -2.6344 -2.6344 -2.5719 -2.5719 -2.5398 -2.5398 -2.5320 -2.5320 -2.4068 -2.4068 -2.2872 -2.2872 -2.2305 -2.2305 k = 0.5795-0.0459 0.4825 ( 9287 PWs) bands (ev): -15.7039 -15.7039 -15.3791 -15.3791 -15.3654 -15.3654 -14.6900 -14.6900 -14.6811 -14.6811 -14.6691 -14.6691 -14.4796 -14.4796 -14.4676 -14.4676 -5.8611 -5.8611 -5.8290 -5.8290 -5.6038 -5.6038 -5.5971 -5.5971 -5.5292 -5.5292 -5.2558 -5.2558 -4.1210 -4.1210 -4.1008 -4.1008 -4.0679 -4.0679 -3.5648 -3.5648 -3.5044 -3.5044 -3.4773 -3.4773 -3.3965 -3.3965 -3.3318 -3.3318 -3.2703 -3.2703 -2.7720 -2.7720 -2.7027 -2.7027 -2.6316 -2.6316 -2.5757 -2.5757 -2.5381 -2.5381 -2.5340 -2.5340 -2.4004 -2.4004 -2.2898 -2.2898 -2.2324 -2.2324 k = 0.5682-0.0394 0.5010 ( 9295 PWs) bands (ev): -15.7035 -15.7035 -15.3785 -15.3785 -15.3663 -15.3663 -14.6903 -14.6903 -14.6804 -14.6804 -14.6696 -14.6696 -14.4794 -14.4794 -14.4678 -14.4678 -5.8608 -5.8608 -5.8295 -5.8295 -5.6033 -5.6033 -5.5973 -5.5973 -5.5291 -5.5291 -5.2556 -5.2556 -4.1208 -4.1208 -4.0981 -4.0981 -4.0685 -4.0685 -3.5620 -3.5620 -3.5035 -3.5035 -3.4786 -3.4786 -3.4012 -3.4012 -3.3295 -3.3295 -3.2713 -3.2713 -2.7706 -2.7706 -2.7072 -2.7072 -2.6281 -2.6281 -2.5797 -2.5797 -2.5403 -2.5403 -2.5325 -2.5325 -2.3929 -2.3929 -2.2934 -2.2934 -2.2345 -2.2345 k = 0.5568-0.0328 0.5196 ( 9293 PWs) bands (ev): -15.7031 -15.7031 -15.3779 -15.3779 -15.3674 -15.3674 -14.6905 -14.6905 -14.6797 -14.6797 -14.6701 -14.6701 -14.4793 -14.4793 -14.4680 -14.4680 -5.8604 -5.8604 -5.8300 -5.8300 -5.6028 -5.6028 -5.5976 -5.5976 -5.5289 -5.5289 -5.2553 -5.2553 -4.1204 -4.1204 -4.0951 -4.0951 -4.0694 -4.0694 -3.5587 -3.5587 -3.5036 -3.5036 -3.4789 -3.4789 -3.4066 -3.4066 -3.3272 -3.3272 -3.2721 -3.2721 -2.7689 -2.7689 -2.7123 -2.7123 -2.6242 -2.6242 -2.5837 -2.5837 -2.5437 -2.5437 -2.5300 -2.5300 -2.3846 -2.3846 -2.2981 -2.2981 -2.2365 -2.2365 k = 0.5455-0.0262 0.5381 ( 9292 PWs) bands (ev): -15.7027 -15.7027 -15.3772 -15.3772 -15.3686 -15.3686 -14.6907 -14.6907 -14.6789 -14.6789 -14.6706 -14.6706 -14.4791 -14.4791 -14.4682 -14.4682 -5.8600 -5.8600 -5.8304 -5.8304 -5.6022 -5.6022 -5.5979 -5.5979 -5.5287 -5.5287 -5.2550 -5.2550 -4.1199 -4.1199 -4.0920 -4.0920 -4.0704 -4.0704 -3.5548 -3.5548 -3.5053 -3.5053 -3.4774 -3.4774 -3.4125 -3.4125 -3.3252 -3.3252 -3.2728 -3.2728 -2.7670 -2.7670 -2.7176 -2.7176 -2.6199 -2.6199 -2.5876 -2.5876 -2.5472 -2.5472 -2.5276 -2.5276 -2.3757 -2.3757 -2.3040 -2.3040 -2.2383 -2.2383 k = 0.5341-0.0197 0.5567 ( 9298 PWs) bands (ev): -15.7023 -15.7023 -15.3764 -15.3764 -15.3699 -15.3699 -14.6908 -14.6908 -14.6782 -14.6782 -14.6712 -14.6712 -14.4789 -14.4789 -14.4683 -14.4683 -5.8596 -5.8596 -5.8309 -5.8309 -5.6016 -5.6016 -5.5982 -5.5982 -5.5286 -5.5286 -5.2548 -5.2548 -4.1194 -4.1194 -4.0891 -4.0891 -4.0715 -4.0715 -3.5505 -3.5505 -3.5085 -3.5085 -3.4743 -3.4743 -3.4187 -3.4187 -3.3237 -3.3237 -3.2732 -3.2732 -2.7650 -2.7650 -2.7229 -2.7229 -2.6155 -2.6155 -2.5914 -2.5914 -2.5503 -2.5503 -2.5256 -2.5256 -2.3665 -2.3665 -2.3110 -2.3110 -2.2397 -2.2397 k = 0.5227-0.0131 0.5753 ( 9306 PWs) bands (ev): -15.7020 -15.7020 -15.3755 -15.3755 -15.3711 -15.3711 -14.6909 -14.6909 -14.6775 -14.6775 -14.6718 -14.6718 -14.4788 -14.4788 -14.4685 -14.4685 -5.8594 -5.8594 -5.8313 -5.8313 -5.6010 -5.6010 -5.5987 -5.5987 -5.5285 -5.5285 -5.2546 -5.2546 -4.1190 -4.1190 -4.0864 -4.0864 -4.0727 -4.0727 -3.5459 -3.5459 -3.5126 -3.5126 -3.4703 -3.4703 -3.4248 -3.4248 -3.3226 -3.3226 -3.2734 -3.2734 -2.7631 -2.7631 -2.7275 -2.7275 -2.6112 -2.6112 -2.5950 -2.5950 -2.5528 -2.5528 -2.5240 -2.5240 -2.3571 -2.3571 -2.3189 -2.3189 -2.2406 -2.2406 k = 0.5114-0.0066 0.5938 ( 9317 PWs) bands (ev): -15.7018 -15.7018 -15.3745 -15.3745 -15.3723 -15.3723 -14.6910 -14.6910 -14.6770 -14.6770 -14.6722 -14.6722 -14.4787 -14.4787 -14.4686 -14.4686 -5.8592 -5.8592 -5.8315 -5.8315 -5.6004 -5.6004 -5.5992 -5.5992 -5.5284 -5.5284 -5.2544 -5.2544 -4.1187 -4.1187 -4.0844 -4.0844 -4.0738 -4.0738 -3.5419 -3.5419 -3.5164 -3.5164 -3.4665 -3.4665 -3.4298 -3.4298 -3.3221 -3.3221 -3.2733 -3.2733 -2.7616 -2.7616 -2.7308 -2.7308 -2.6075 -2.6075 -2.5981 -2.5981 -2.5544 -2.5544 -2.5230 -2.5230 -2.3478 -2.3478 -2.3274 -2.3274 -2.2412 -2.2412 k = 0.5000-0.0000 0.6124 ( 9308 PWs) bands (ev): -15.7017 -15.7017 -15.3735 -15.3735 -15.3734 -15.3734 -14.6910 -14.6910 -14.6768 -14.6768 -14.6724 -14.6724 -14.4787 -14.4787 -14.4686 -14.4686 -5.8591 -5.8591 -5.8316 -5.8316 -5.5999 -5.5999 -5.5996 -5.5996 -5.5284 -5.5284 -5.2543 -5.2543 -4.1186 -4.1186 -4.0835 -4.0835 -4.0743 -4.0743 -3.5400 -3.5400 -3.5183 -3.5183 -3.4648 -3.4648 -3.4319 -3.4319 -3.3219 -3.3219 -3.2732 -3.2732 -2.7611 -2.7611 -2.7320 -2.7320 -2.6056 -2.6056 -2.5997 -2.5997 -2.5550 -2.5550 -2.5227 -2.5227 -2.3412 -2.3412 -2.3338 -2.3338 -2.2414 -2.2414 k = 0.5000-0.0000 0.6124 ( 9308 PWs) bands (ev): -15.7017 -15.7017 -15.3735 -15.3735 -15.3734 -15.3734 -14.6910 -14.6910 -14.6768 -14.6768 -14.6724 -14.6724 -14.4787 -14.4787 -14.4686 -14.4686 -5.8591 -5.8591 -5.8316 -5.8316 -5.5999 -5.5999 -5.5996 -5.5996 -5.5284 -5.5284 -5.2543 -5.2543 -4.1186 -4.1186 -4.0835 -4.0835 -4.0743 -4.0743 -3.5400 -3.5400 -3.5183 -3.5183 -3.4648 -3.4648 -3.4319 -3.4319 -3.3219 -3.3219 -3.2732 -3.2732 -2.7611 -2.7611 -2.7320 -2.7320 -2.6056 -2.6056 -2.5997 -2.5997 -2.5550 -2.5550 -2.5227 -2.5227 -2.3412 -2.3412 -2.3338 -2.3338 -2.2414 -2.2414 k = 0.5000 0.0131 0.5938 ( 9316 PWs) bands (ev): -15.7019 -15.7019 -15.3735 -15.3735 -15.3732 -15.3732 -14.6909 -14.6909 -14.6768 -14.6768 -14.6724 -14.6724 -14.4787 -14.4787 -14.4686 -14.4686 -5.8591 -5.8591 -5.8316 -5.8316 -5.6006 -5.6006 -5.5990 -5.5990 -5.5284 -5.5284 -5.2545 -5.2545 -4.1189 -4.1189 -4.0839 -4.0839 -4.0746 -4.0746 -3.5400 -3.5400 -3.5181 -3.5181 -3.4648 -3.4648 -3.4315 -3.4315 -3.3220 -3.3220 -3.2739 -3.2739 -2.7606 -2.7606 -2.7315 -2.7315 -2.6059 -2.6059 -2.6000 -2.6000 -2.5536 -2.5536 -2.5230 -2.5230 -2.3412 -2.3412 -2.3336 -2.3336 -2.2413 -2.2413 k = 0.5000 0.0262 0.5753 ( 9306 PWs) bands (ev): -15.7024 -15.7024 -15.3736 -15.3736 -15.3726 -15.3726 -14.6908 -14.6908 -14.6769 -14.6769 -14.6725 -14.6725 -14.4786 -14.4786 -14.4687 -14.4687 -5.8588 -5.8588 -5.8317 -5.8317 -5.6016 -5.6016 -5.5983 -5.5983 -5.5287 -5.5287 -5.2549 -5.2549 -4.1197 -4.1197 -4.0851 -4.0851 -4.0757 -4.0757 -3.5400 -3.5400 -3.5177 -3.5177 -3.4649 -3.4649 -3.4305 -3.4305 -3.3220 -3.3220 -3.2760 -3.2760 -2.7592 -2.7592 -2.7297 -2.7297 -2.6066 -2.6066 -2.6005 -2.6005 -2.5497 -2.5497 -2.5240 -2.5240 -2.3413 -2.3413 -2.3331 -2.3331 -2.2410 -2.2410 k = 0.5000 0.0394 0.5567 ( 9302 PWs) bands (ev): -15.7033 -15.7033 -15.3737 -15.3737 -15.3715 -15.3715 -14.6907 -14.6907 -14.6770 -14.6770 -14.6726 -14.6726 -14.4784 -14.4784 -14.4687 -14.4687 -5.8583 -5.8583 -5.8319 -5.8319 -5.6027 -5.6027 -5.5978 -5.5978 -5.5290 -5.5290 -5.2556 -5.2556 -4.1211 -4.1211 -4.0869 -4.0869 -4.0774 -4.0774 -3.5399 -3.5399 -3.5170 -3.5170 -3.4650 -3.4650 -3.4288 -3.4288 -3.3221 -3.3221 -3.2795 -3.2795 -2.7574 -2.7574 -2.7263 -2.7263 -2.6077 -2.6077 -2.6008 -2.6008 -2.5439 -2.5439 -2.5256 -2.5256 -2.3420 -2.3420 -2.3317 -2.3317 -2.2405 -2.2405 k = 0.5000 0.0525 0.5381 ( 9302 PWs) bands (ev): -15.7044 -15.7044 -15.3740 -15.3740 -15.3700 -15.3700 -14.6904 -14.6904 -14.6772 -14.6772 -14.6728 -14.6728 -14.4781 -14.4781 -14.4689 -14.4689 -5.8576 -5.8576 -5.8321 -5.8321 -5.6040 -5.6040 -5.5974 -5.5974 -5.5296 -5.5296 -5.2566 -5.2566 -4.1230 -4.1230 -4.0895 -4.0895 -4.0797 -4.0797 -3.5399 -3.5399 -3.5160 -3.5160 -3.4650 -3.4650 -3.4267 -3.4267 -3.3221 -3.3221 -3.2840 -3.2840 -2.7557 -2.7557 -2.7210 -2.7210 -2.6089 -2.6089 -2.6008 -2.6008 -2.5373 -2.5373 -2.5274 -2.5274 -2.3435 -2.3435 -2.3291 -2.3291 -2.2397 -2.2397 k = 0.5000 0.0656 0.5196 ( 9294 PWs) bands (ev): -15.7058 -15.7058 -15.3742 -15.3742 -15.3681 -15.3681 -14.6901 -14.6901 -14.6773 -14.6773 -14.6730 -14.6730 -14.4778 -14.4778 -14.4690 -14.4690 -5.8568 -5.8568 -5.8324 -5.8324 -5.6053 -5.6053 -5.5971 -5.5971 -5.5302 -5.5302 -5.2578 -5.2578 -4.1254 -4.1254 -4.0928 -4.0928 -4.0826 -4.0826 -3.5399 -3.5399 -3.5148 -3.5148 -3.4649 -3.4649 -3.4244 -3.4244 -3.3219 -3.3219 -3.2894 -3.2894 -2.7544 -2.7544 -2.7135 -2.7135 -2.6098 -2.6098 -2.6006 -2.6006 -2.5331 -2.5331 -2.5267 -2.5267 -2.3459 -2.3459 -2.3254 -2.3254 -2.2388 -2.2388 k = 0.5000 0.0787 0.5010 ( 9302 PWs) bands (ev): -15.7075 -15.7075 -15.3745 -15.3745 -15.3659 -15.3659 -14.6898 -14.6898 -14.6775 -14.6775 -14.6733 -14.6733 -14.4775 -14.4775 -14.4691 -14.4691 -5.8559 -5.8559 -5.8328 -5.8328 -5.6067 -5.6067 -5.5969 -5.5969 -5.5310 -5.5310 -5.2592 -5.2592 -4.1283 -4.1283 -4.0966 -4.0966 -4.0859 -4.0859 -3.5399 -3.5399 -3.5133 -3.5133 -3.4648 -3.4648 -3.4219 -3.4219 -3.3215 -3.3215 -3.2954 -3.2954 -2.7537 -2.7537 -2.7041 -2.7041 -2.6102 -2.6102 -2.6001 -2.6001 -2.5352 -2.5352 -2.5200 -2.5200 -2.3489 -2.3489 -2.3207 -2.3207 -2.2376 -2.2376 k = 0.5000 0.0919 0.4825 ( 9308 PWs) bands (ev): -15.7093 -15.7093 -15.3749 -15.3749 -15.3634 -15.3634 -14.6894 -14.6894 -14.6778 -14.6778 -14.6736 -14.6736 -14.4771 -14.4771 -14.4693 -14.4693 -5.8548 -5.8548 -5.8331 -5.8331 -5.6082 -5.6082 -5.5968 -5.5968 -5.5319 -5.5319 -5.2608 -5.2608 -4.1317 -4.1317 -4.1009 -4.1009 -4.0896 -4.0896 -3.5400 -3.5400 -3.5117 -3.5117 -3.4646 -3.4646 -3.4193 -3.4193 -3.3211 -3.3211 -3.3015 -3.3015 -2.7533 -2.7533 -2.6930 -2.6930 -2.6101 -2.6101 -2.5996 -2.5996 -2.5388 -2.5388 -2.5125 -2.5125 -2.3527 -2.3527 -2.3150 -2.3150 -2.2361 -2.2361 k = 0.5000 0.1050 0.4639 ( 9296 PWs) bands (ev): -15.7113 -15.7113 -15.3752 -15.3752 -15.3608 -15.3608 -14.6890 -14.6890 -14.6780 -14.6780 -14.6740 -14.6740 -14.4766 -14.4766 -14.4695 -14.4695 -5.8537 -5.8537 -5.8335 -5.8335 -5.6097 -5.6097 -5.5968 -5.5968 -5.5328 -5.5328 -5.2625 -5.2625 -4.1355 -4.1355 -4.1055 -4.1055 -4.0936 -4.0936 -3.5401 -3.5401 -3.5099 -3.5099 -3.4645 -3.4645 -3.4169 -3.4169 -3.3211 -3.3211 -3.3068 -3.3068 -2.7531 -2.7531 -2.6806 -2.6806 -2.6093 -2.6093 -2.5988 -2.5988 -2.5429 -2.5429 -2.5052 -2.5052 -2.3571 -2.3571 -2.3084 -2.3084 -2.2344 -2.2344 k = 0.5000 0.1181 0.4454 ( 9286 PWs) bands (ev): -15.7134 -15.7134 -15.3756 -15.3756 -15.3580 -15.3580 -14.6886 -14.6886 -14.6782 -14.6782 -14.6743 -14.6743 -14.4762 -14.4762 -14.4697 -14.4697 -5.8524 -5.8524 -5.8340 -5.8340 -5.6113 -5.6113 -5.5968 -5.5968 -5.5338 -5.5338 -5.2642 -5.2642 -4.1397 -4.1397 -4.1103 -4.1103 -4.0977 -4.0977 -3.5403 -3.5403 -3.5080 -3.5080 -3.4643 -3.4643 -3.4145 -3.4145 -3.3233 -3.3233 -3.3096 -3.3096 -2.7529 -2.7529 -2.6674 -2.6674 -2.6079 -2.6079 -2.5980 -2.5980 -2.5472 -2.5472 -2.4987 -2.4987 -2.3621 -2.3621 -2.3010 -2.3010 -2.2325 -2.2325 k = 0.5000 0.1312 0.4268 ( 9282 PWs) bands (ev): -15.7155 -15.7155 -15.3761 -15.3761 -15.3550 -15.3550 -14.6883 -14.6883 -14.6784 -14.6784 -14.6747 -14.6747 -14.4757 -14.4757 -14.4700 -14.4700 -5.8512 -5.8512 -5.8344 -5.8344 -5.6129 -5.6129 -5.5969 -5.5969 -5.5349 -5.5349 -5.2661 -5.2661 -4.1443 -4.1443 -4.1151 -4.1151 -4.1021 -4.1021 -3.5406 -3.5406 -3.5060 -3.5060 -3.4643 -3.4643 -3.4123 -3.4123 -3.3279 -3.3279 -3.3092 -3.3092 -2.7528 -2.7528 -2.6536 -2.6536 -2.6061 -2.6061 -2.5969 -2.5969 -2.5517 -2.5517 -2.4929 -2.4929 -2.3677 -2.3677 -2.2929 -2.2929 -2.2303 -2.2303 k = 0.5000 0.1443 0.4082 ( 9286 PWs) bands (ev): -15.7177 -15.7177 -15.3765 -15.3765 -15.3521 -15.3521 -14.6879 -14.6879 -14.6786 -14.6786 -14.6751 -14.6751 -14.4752 -14.4752 -14.4702 -14.4702 -5.8500 -5.8500 -5.8348 -5.8348 -5.6144 -5.6144 -5.5970 -5.5970 -5.5360 -5.5360 -5.2679 -5.2679 -4.1491 -4.1491 -4.1198 -4.1198 -4.1064 -4.1064 -3.5409 -3.5409 -3.5040 -3.5040 -3.4645 -3.4645 -3.4101 -3.4101 -3.3337 -3.3337 -3.3071 -3.3071 -2.7527 -2.7527 -2.6397 -2.6397 -2.6039 -2.6039 -2.5956 -2.5956 -2.5562 -2.5562 -2.4881 -2.4881 -2.3740 -2.3740 -2.2844 -2.2844 -2.2278 -2.2278 k = 0.5000 0.1575 0.3897 ( 9286 PWs) bands (ev): -15.7198 -15.7198 -15.3769 -15.3769 -15.3492 -15.3492 -14.6876 -14.6876 -14.6787 -14.6787 -14.6754 -14.6754 -14.4747 -14.4747 -14.4704 -14.4704 -5.8488 -5.8488 -5.8352 -5.8352 -5.6160 -5.6160 -5.5972 -5.5972 -5.5370 -5.5370 -5.2697 -5.2697 -4.1542 -4.1542 -4.1244 -4.1244 -4.1107 -4.1107 -3.5413 -3.5413 -3.5020 -3.5020 -3.4650 -3.4650 -3.4081 -3.4081 -3.3394 -3.3394 -3.3042 -3.3042 -2.7524 -2.7524 -2.6261 -2.6261 -2.6014 -2.6014 -2.5936 -2.5936 -2.5607 -2.5607 -2.4842 -2.4842 -2.3809 -2.3809 -2.2757 -2.2757 -2.2251 -2.2251 k = 0.5000 0.1706 0.3711 ( 9286 PWs) bands (ev): -15.7219 -15.7219 -15.3773 -15.3773 -15.3464 -15.3464 -14.6874 -14.6874 -14.6788 -14.6788 -14.6758 -14.6758 -14.4742 -14.4742 -14.4706 -14.4706 -5.8477 -5.8477 -5.8355 -5.8355 -5.6174 -5.6174 -5.5974 -5.5974 -5.5381 -5.5381 -5.2715 -5.2715 -4.1593 -4.1593 -4.1287 -4.1287 -4.1149 -4.1149 -3.5418 -3.5418 -3.5000 -3.5000 -3.4657 -3.4657 -3.4061 -3.4061 -3.3448 -3.3448 -3.3009 -3.3009 -2.7521 -2.7521 -2.6141 -2.6141 -2.5986 -2.5986 -2.5903 -2.5903 -2.5647 -2.5647 -2.4813 -2.4813 -2.3883 -2.3883 -2.2670 -2.2670 -2.2222 -2.2222 k = 0.5000 0.1837 0.3526 ( 9290 PWs) bands (ev): -15.7238 -15.7238 -15.3777 -15.3777 -15.3437 -15.3437 -14.6872 -14.6872 -14.6789 -14.6789 -14.6761 -14.6761 -14.4738 -14.4738 -14.4709 -14.4709 -5.8468 -5.8468 -5.8357 -5.8357 -5.6188 -5.6188 -5.5976 -5.5976 -5.5391 -5.5391 -5.2731 -5.2731 -4.1643 -4.1643 -4.1327 -4.1327 -4.1189 -4.1189 -3.5422 -3.5422 -3.4980 -3.4980 -3.4667 -3.4667 -3.4043 -3.4043 -3.3496 -3.3496 -3.2975 -3.2975 -2.7517 -2.7517 -2.6056 -2.6056 -2.5959 -2.5959 -2.5841 -2.5841 -2.5678 -2.5678 -2.4791 -2.4791 -2.3963 -2.3963 -2.2587 -2.2587 -2.2190 -2.2190 k = 0.5000 0.1968 0.3340 ( 9296 PWs) bands (ev): -15.7256 -15.7256 -15.3781 -15.3781 -15.3412 -15.3412 -14.6871 -14.6871 -14.6789 -14.6789 -14.6764 -14.6764 -14.4734 -14.4734 -14.4711 -14.4711 -5.8460 -5.8460 -5.8358 -5.8358 -5.6201 -5.6201 -5.5977 -5.5977 -5.5400 -5.5400 -5.2746 -5.2746 -4.1692 -4.1692 -4.1364 -4.1364 -4.1225 -4.1225 -3.5427 -3.5427 -3.4960 -3.4960 -3.4678 -3.4678 -3.4026 -3.4026 -3.3538 -3.3538 -3.2941 -3.2941 -2.7513 -2.7513 -2.6013 -2.6013 -2.5934 -2.5934 -2.5775 -2.5775 -2.5667 -2.5667 -2.4777 -2.4777 -2.4048 -2.4048 -2.2511 -2.2511 -2.2157 -2.2157 k = 0.5000 0.2099 0.3155 ( 9300 PWs) bands (ev): -15.7272 -15.7272 -15.3784 -15.3784 -15.3390 -15.3390 -14.6870 -14.6870 -14.6789 -14.6789 -14.6766 -14.6766 -14.4730 -14.4730 -14.4713 -14.4713 -5.8454 -5.8454 -5.8358 -5.8358 -5.6213 -5.6213 -5.5979 -5.5979 -5.5409 -5.5409 -5.2760 -5.2760 -4.1736 -4.1736 -4.1397 -4.1397 -4.1258 -4.1258 -3.5432 -3.5432 -3.4942 -3.4942 -3.4692 -3.4692 -3.4011 -3.4011 -3.3573 -3.3573 -3.2909 -3.2909 -2.7508 -2.7508 -2.5991 -2.5991 -2.5917 -2.5917 -2.5768 -2.5768 -2.5567 -2.5567 -2.4769 -2.4769 -2.4139 -2.4139 -2.2444 -2.2444 -2.2122 -2.2122 k = 0.5000 0.2231 0.2969 ( 9296 PWs) bands (ev): -15.7286 -15.7286 -15.3787 -15.3787 -15.3370 -15.3370 -14.6870 -14.6870 -14.6789 -14.6789 -14.6768 -14.6768 -14.4726 -14.4726 -14.4714 -14.4714 -5.8450 -5.8450 -5.8357 -5.8357 -5.6223 -5.6223 -5.5981 -5.5981 -5.5416 -5.5416 -5.2772 -5.2772 -4.1776 -4.1776 -4.1426 -4.1426 -4.1286 -4.1286 -3.5436 -3.5436 -3.4923 -3.4923 -3.4707 -3.4707 -3.3998 -3.3998 -3.3601 -3.3601 -3.2880 -3.2880 -2.7502 -2.7502 -2.5979 -2.5979 -2.5914 -2.5914 -2.5769 -2.5769 -2.5439 -2.5439 -2.4766 -2.4766 -2.4234 -2.4234 -2.2388 -2.2388 -2.2086 -2.2086 k = 0.5000 0.2362 0.2784 ( 9300 PWs) bands (ev): -15.7298 -15.7298 -15.3790 -15.3790 -15.3353 -15.3353 -14.6870 -14.6870 -14.6789 -14.6789 -14.6769 -14.6769 -14.4724 -14.4724 -14.4716 -14.4716 -5.8447 -5.8447 -5.8356 -5.8356 -5.6231 -5.6231 -5.5982 -5.5982 -5.5423 -5.5423 -5.2782 -5.2782 -4.1811 -4.1811 -4.1451 -4.1451 -4.1309 -4.1309 -3.5440 -3.5440 -3.4906 -3.4906 -3.4722 -3.4722 -3.3987 -3.3987 -3.3623 -3.3623 -3.2856 -3.2856 -2.7497 -2.7497 -2.5970 -2.5970 -2.5922 -2.5922 -2.5760 -2.5760 -2.5307 -2.5307 -2.4766 -2.4766 -2.4334 -2.4334 -2.2343 -2.2343 -2.2052 -2.2052 k = 0.5000 0.2493 0.2598 ( 9306 PWs) bands (ev): -15.7308 -15.7308 -15.3792 -15.3792 -15.3340 -15.3340 -14.6870 -14.6870 -14.6789 -14.6789 -14.6769 -14.6769 -14.4721 -14.4721 -14.4717 -14.4717 -5.8446 -5.8446 -5.8354 -5.8354 -5.6238 -5.6238 -5.5983 -5.5983 -5.5428 -5.5428 -5.2790 -5.2790 -4.1839 -4.1839 -4.1471 -4.1471 -4.1328 -4.1328 -3.5443 -3.5443 -3.4891 -3.4891 -3.4737 -3.4737 -3.3979 -3.3979 -3.3639 -3.3639 -3.2836 -3.2836 -2.7493 -2.7493 -2.5965 -2.5965 -2.5935 -2.5935 -2.5747 -2.5747 -2.5175 -2.5175 -2.4768 -2.4768 -2.4438 -2.4438 -2.2310 -2.2310 -2.2022 -2.2022 k = 0.5000 0.2624 0.2412 ( 9310 PWs) bands (ev): -15.7315 -15.7315 -15.3793 -15.3793 -15.3331 -15.3331 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4720 -14.4720 -14.4718 -14.4718 -5.8445 -5.8445 -5.8352 -5.8352 -5.6243 -5.6243 -5.5984 -5.5984 -5.5431 -5.5431 -5.2796 -5.2796 -4.1859 -4.1859 -4.1485 -4.1485 -4.1341 -4.1341 -3.5446 -3.5446 -3.4878 -3.4878 -3.4750 -3.4750 -3.3974 -3.3974 -3.3649 -3.3649 -3.2821 -3.2821 -2.7490 -2.7490 -2.5961 -2.5961 -2.5946 -2.5946 -2.5735 -2.5735 -2.5047 -2.5047 -2.4771 -2.4771 -2.4545 -2.4545 -2.2286 -2.2286 -2.1998 -2.1998 k = 0.5000 0.2756 0.2227 ( 9312 PWs) bands (ev): -15.7319 -15.7319 -15.3794 -15.3794 -15.3325 -15.3325 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4719 -14.4719 -14.4718 -14.4718 -5.8445 -5.8445 -5.8351 -5.8351 -5.6246 -5.6246 -5.5985 -5.5985 -5.5434 -5.5434 -5.2799 -5.2799 -4.1871 -4.1871 -4.1494 -4.1494 -4.1349 -4.1349 -3.5448 -3.5448 -3.4868 -3.4868 -3.4760 -3.4760 -3.3970 -3.3970 -3.3655 -3.3655 -3.2812 -3.2812 -2.7488 -2.7488 -2.5960 -2.5960 -2.5953 -2.5953 -2.5726 -2.5726 -2.4927 -2.4927 -2.4777 -2.4777 -2.4650 -2.4650 -2.2273 -2.2273 -2.1983 -2.1983 k = 0.5000 0.2887 0.2041 ( 9264 PWs) bands (ev): -15.7320 -15.7320 -15.3795 -15.3795 -15.3323 -15.3323 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4718 -14.4718 -14.4718 -14.4718 -5.8444 -5.8444 -5.8350 -5.8350 -5.6246 -5.6246 -5.5985 -5.5985 -5.5434 -5.5434 -5.2801 -5.2801 -4.1875 -4.1875 -4.1497 -4.1497 -4.1351 -4.1351 -3.5448 -3.5448 -3.4864 -3.4864 -3.4764 -3.4764 -3.3969 -3.3969 -3.3657 -3.3657 -3.2809 -3.2809 -2.7487 -2.7487 -2.5960 -2.5960 -2.5955 -2.5955 -2.5723 -2.5723 -2.4842 -2.4842 -2.4798 -2.4798 -2.4710 -2.4710 -2.2268 -2.2268 -2.1978 -2.1978 k = 0.5000 0.2887 0.2041 ( 9264 PWs) bands (ev): -15.7320 -15.7320 -15.3795 -15.3795 -15.3323 -15.3323 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4718 -14.4718 -14.4718 -14.4718 -5.8444 -5.8444 -5.8350 -5.8350 -5.6246 -5.6246 -5.5985 -5.5985 -5.5434 -5.5434 -5.2801 -5.2801 -4.1875 -4.1875 -4.1497 -4.1497 -4.1351 -4.1351 -3.5448 -3.5448 -3.4864 -3.4864 -3.4764 -3.4764 -3.3969 -3.3969 -3.3657 -3.3657 -3.2809 -3.2809 -2.7487 -2.7487 -2.5960 -2.5960 -2.5955 -2.5955 -2.5723 -2.5723 -2.4842 -2.4842 -2.4798 -2.4798 -2.4710 -2.4710 -2.2268 -2.2268 -2.1978 -2.1978 k = 0.4934 0.2849 0.2256 ( 9308 PWs) bands (ev): -15.7319 -15.7319 -15.3794 -15.3794 -15.3325 -15.3325 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4719 -14.4719 -14.4718 -14.4718 -5.8445 -5.8445 -5.8351 -5.8351 -5.6246 -5.6246 -5.5985 -5.5985 -5.5434 -5.5434 -5.2799 -5.2799 -4.1871 -4.1871 -4.1494 -4.1494 -4.1349 -4.1349 -3.5448 -3.5448 -3.4868 -3.4868 -3.4760 -3.4760 -3.3970 -3.3970 -3.3655 -3.3655 -3.2812 -3.2812 -2.7488 -2.7488 -2.5960 -2.5960 -2.5953 -2.5953 -2.5726 -2.5726 -2.4927 -2.4927 -2.4777 -2.4777 -2.4649 -2.4649 -2.2273 -2.2273 -2.1983 -2.1983 k = 0.4868 0.2811 0.2471 ( 9302 PWs) bands (ev): -15.7315 -15.7315 -15.3793 -15.3793 -15.3331 -15.3331 -14.6870 -14.6870 -14.6789 -14.6789 -14.6770 -14.6770 -14.4720 -14.4720 -14.4718 -14.4718 -5.8445 -5.8445 -5.8352 -5.8352 -5.6243 -5.6243 -5.5984 -5.5984 -5.5431 -5.5431 -5.2796 -5.2796 -4.1859 -4.1859 -4.1485 -4.1485 -4.1341 -4.1341 -3.5446 -3.5446 -3.4878 -3.4878 -3.4750 -3.4750 -3.3974 -3.3974 -3.3649 -3.3649 -3.2821 -3.2821 -2.7490 -2.7490 -2.5961 -2.5961 -2.5946 -2.5946 -2.5735 -2.5735 -2.5048 -2.5048 -2.4771 -2.4771 -2.4545 -2.4545 -2.2286 -2.2286 -2.1998 -2.1998 k = 0.4803 0.2773 0.2686 ( 9304 PWs) bands (ev): -15.7308 -15.7308 -15.3792 -15.3792 -15.3340 -15.3340 -14.6870 -14.6870 -14.6789 -14.6789 -14.6769 -14.6769 -14.4721 -14.4721 -14.4717 -14.4717 -5.8446 -5.8446 -5.8354 -5.8354 -5.6238 -5.6238 -5.5983 -5.5983 -5.5428 -5.5428 -5.2790 -5.2790 -4.1838 -4.1838 -4.1471 -4.1471 -4.1328 -4.1328 -3.5443 -3.5443 -3.4891 -3.4891 -3.4737 -3.4737 -3.3979 -3.3979 -3.3638 -3.3638 -3.2836 -3.2836 -2.7493 -2.7493 -2.5966 -2.5966 -2.5933 -2.5933 -2.5748 -2.5748 -2.5176 -2.5176 -2.4768 -2.4768 -2.4438 -2.4438 -2.2310 -2.2310 -2.2022 -2.2022 k = 0.4737 0.2735 0.2901 ( 9297 PWs) bands (ev): -15.7298 -15.7298 -15.3790 -15.3790 -15.3354 -15.3354 -14.6870 -14.6870 -14.6789 -14.6789 -14.6769 -14.6769 -14.4724 -14.4724 -14.4716 -14.4716 -5.8447 -5.8447 -5.8355 -5.8355 -5.6231 -5.6231 -5.5982 -5.5982 -5.5423 -5.5423 -5.2782 -5.2782 -4.1810 -4.1810 -4.1451 -4.1451 -4.1309 -4.1309 -3.5440 -3.5440 -3.4907 -3.4907 -3.4722 -3.4722 -3.3987 -3.3987 -3.3623 -3.3623 -3.2856 -3.2856 -2.7497 -2.7497 -2.5975 -2.5975 -2.5916 -2.5916 -2.5762 -2.5762 -2.5308 -2.5308 -2.4766 -2.4766 -2.4333 -2.4333 -2.2344 -2.2344 -2.2052 -2.2052 k = 0.4671 0.2697 0.3116 ( 9293 PWs) bands (ev): -15.7286 -15.7286 -15.3787 -15.3787 -15.3370 -15.3370 -14.6870 -14.6870 -14.6789 -14.6789 -14.6767 -14.6767 -14.4727 -14.4727 -14.4714 -14.4714 -5.8450 -5.8450 -5.8357 -5.8357 -5.6223 -5.6223 -5.5981 -5.5981 -5.5416 -5.5416 -5.2772 -5.2772 -4.1776 -4.1776 -4.1426 -4.1426 -4.1285 -4.1285 -3.5436 -3.5436 -3.4924 -3.4924 -3.4706 -3.4706 -3.3998 -3.3998 -3.3601 -3.3601 -3.2881 -3.2881 -2.7502 -2.7502 -2.5989 -2.5989 -2.5896 -2.5896 -2.5777 -2.5777 -2.5439 -2.5439 -2.4766 -2.4766 -2.4233 -2.4233 -2.2389 -2.2389 -2.2086 -2.2086 k = 0.4605 0.2659 0.3330 ( 9291 PWs) bands (ev): -15.7272 -15.7272 -15.3784 -15.3784 -15.3390 -15.3390 -14.6870 -14.6870 -14.6790 -14.6790 -14.6765 -14.6765 -14.4730 -14.4730 -14.4712 -14.4712 -5.8454 -5.8454 -5.8358 -5.8358 -5.6212 -5.6212 -5.5979 -5.5979 -5.5409 -5.5409 -5.2760 -5.2760 -4.1736 -4.1736 -4.1398 -4.1398 -4.1256 -4.1256 -3.5432 -3.5432 -3.4942 -3.4942 -3.4691 -3.4691 -3.4011 -3.4011 -3.3573 -3.3573 -3.2909 -3.2909 -2.7508 -2.7508 -2.6011 -2.6011 -2.5879 -2.5879 -2.5791 -2.5791 -2.5565 -2.5565 -2.4769 -2.4769 -2.4138 -2.4138 -2.2447 -2.2447 -2.2120 -2.2120 k = 0.4539 0.2621 0.3545 ( 9294 PWs) bands (ev): -15.7256 -15.7256 -15.3781 -15.3781 -15.3413 -15.3413 -14.6870 -14.6870 -14.6791 -14.6791 -14.6762 -14.6762 -14.4734 -14.4734 -14.4710 -14.4710 -5.8461 -5.8461 -5.8358 -5.8358 -5.6201 -5.6201 -5.5977 -5.5977 -5.5400 -5.5400 -5.2746 -5.2746 -4.1690 -4.1690 -4.1366 -4.1366 -4.1222 -4.1222 -3.5428 -3.5428 -3.4961 -3.4961 -3.4677 -3.4677 -3.4026 -3.4026 -3.3539 -3.3539 -3.2940 -3.2940 -2.7513 -2.7513 -2.6041 -2.6041 -2.5882 -2.5882 -2.5806 -2.5806 -2.5662 -2.5662 -2.4777 -2.4777 -2.4049 -2.4049 -2.2516 -2.2516 -2.2153 -2.2153 k = 0.4474 0.2583 0.3760 ( 9288 PWs) bands (ev): -15.7238 -15.7238 -15.3777 -15.3777 -15.3437 -15.3437 -14.6871 -14.6871 -14.6793 -14.6793 -14.6757 -14.6757 -14.4739 -14.4739 -14.4708 -14.4708 -5.8469 -5.8469 -5.8356 -5.8356 -5.6188 -5.6188 -5.5975 -5.5975 -5.5391 -5.5391 -5.2731 -5.2731 -4.1641 -4.1641 -4.1332 -4.1332 -4.1183 -4.1183 -3.5425 -3.5425 -3.4980 -3.4980 -3.4663 -3.4663 -3.4043 -3.4043 -3.3500 -3.3500 -3.2971 -3.2971 -2.7518 -2.7518 -2.6080 -2.6080 -2.5951 -2.5951 -2.5806 -2.5805 -2.5698 -2.5698 -2.4789 -2.4789 -2.3967 -2.3967 -2.2595 -2.2595 -2.2183 -2.2183 k = 0.4408 0.2545 0.3975 ( 9292 PWs) bands (ev): -15.7218 -15.7218 -15.3774 -15.3774 -15.3464 -15.3464 -14.6872 -14.6872 -14.6795 -14.6795 -14.6752 -14.6752 -14.4744 -14.4744 -14.4705 -14.4705 -5.8480 -5.8480 -5.8352 -5.8352 -5.6174 -5.6174 -5.5974 -5.5974 -5.5381 -5.5381 -5.2714 -5.2714 -4.1590 -4.1590 -4.1298 -4.1298 -4.1139 -4.1139 -3.5422 -3.5422 -3.4998 -3.4998 -3.4653 -3.4653 -3.4059 -3.4059 -3.3458 -3.3458 -3.2999 -3.2999 -2.7523 -2.7523 -2.6143 -2.6143 -2.6049 -2.6049 -2.5795 -2.5795 -2.5690 -2.5690 -2.4808 -2.4808 -2.3893 -2.3893 -2.2680 -2.2680 -2.2210 -2.2210 k = 0.4342 0.2507 0.4190 ( 9292 PWs) bands (ev): -15.7198 -15.7198 -15.3770 -15.3770 -15.3491 -15.3491 -14.6873 -14.6873 -14.6798 -14.6798 -14.6746 -14.6746 -14.4749 -14.4749 -14.4702 -14.4702 -5.8493 -5.8493 -5.8348 -5.8348 -5.6160 -5.6160 -5.5972 -5.5972 -5.5370 -5.5370 -5.2697 -5.2697 -4.1538 -4.1538 -4.1263 -4.1263 -4.1092 -4.1092 -3.5423 -3.5423 -3.5016 -3.5016 -3.4645 -3.4645 -3.4074 -3.4074 -3.3417 -3.3417 -3.3021 -3.3021 -2.7527 -2.7527 -2.6252 -2.6252 -2.6116 -2.6116 -2.5783 -2.5783 -2.5665 -2.5665 -2.4833 -2.4833 -2.3830 -2.3830 -2.2768 -2.2768 -2.2232 -2.2232 k = 0.4276 0.2469 0.4405 ( 9292 PWs) bands (ev): -15.7177 -15.7177 -15.3767 -15.3767 -15.3519 -15.3519 -14.6875 -14.6875 -14.6801 -14.6801 -14.6740 -14.6740 -14.4755 -14.4755 -14.4699 -14.4699 -5.8506 -5.8506 -5.8342 -5.8342 -5.6145 -5.6145 -5.5970 -5.5970 -5.5360 -5.5360 -5.2679 -5.2679 -4.1486 -4.1486 -4.1228 -4.1228 -4.1040 -4.1040 -3.5427 -3.5427 -3.5031 -3.5031 -3.4642 -3.4642 -3.4086 -3.4086 -3.3383 -3.3383 -3.3028 -3.3028 -2.7532 -2.7532 -2.6384 -2.6384 -2.6162 -2.6162 -2.5770 -2.5770 -2.5634 -2.5634 -2.4865 -2.4865 -2.3783 -2.3783 -2.2851 -2.2851 -2.2251 -2.2251 k = 0.4211 0.2431 0.4620 ( 9294 PWs) bands (ev): -15.7155 -15.7155 -15.3765 -15.3765 -15.3546 -15.3546 -14.6877 -14.6877 -14.6804 -14.6804 -14.6733 -14.6733 -14.4760 -14.4760 -14.4696 -14.4696 -5.8521 -5.8521 -5.8336 -5.8336 -5.6130 -5.6130 -5.5968 -5.5968 -5.5349 -5.5349 -5.2660 -5.2660 -4.1436 -4.1436 -4.1195 -4.1195 -4.0987 -4.0987 -3.5437 -3.5437 -3.5041 -3.5041 -3.4644 -3.4644 -3.4092 -3.4092 -3.3363 -3.3363 -3.3015 -3.3015 -2.7538 -2.7538 -2.6517 -2.6517 -2.6202 -2.6202 -2.5756 -2.5756 -2.5600 -2.5600 -2.4904 -2.4904 -2.3755 -2.3755 -2.2922 -2.2922 -2.2265 -2.2265 k = 0.4145 0.2393 0.4835 ( 9294 PWs) bands (ev): -15.7134 -15.7134 -15.3764 -15.3764 -15.3571 -15.3571 -14.6879 -14.6879 -14.6807 -14.6807 -14.6725 -14.6725 -14.4766 -14.4766 -14.4693 -14.4693 -5.8536 -5.8536 -5.8329 -5.8329 -5.6114 -5.6114 -5.5967 -5.5967 -5.5338 -5.5338 -5.2642 -5.2642 -4.1388 -4.1388 -4.1165 -4.1165 -4.0932 -4.0932 -3.5453 -3.5453 -3.5047 -3.5047 -3.4653 -3.4653 -3.4090 -3.4090 -3.3358 -3.3358 -3.2981 -3.2981 -2.7548 -2.7548 -2.6643 -2.6643 -2.6239 -2.6239 -2.5740 -2.5740 -2.5566 -2.5566 -2.4948 -2.4948 -2.3755 -2.3755 -2.2971 -2.2971 -2.2276 -2.2276 k = 0.4079 0.2355 0.5049 ( 9286 PWs) bands (ev): -15.7114 -15.7114 -15.3764 -15.3764 -15.3594 -15.3594 -14.6882 -14.6882 -14.6810 -14.6810 -14.6718 -14.6718 -14.4772 -14.4772 -14.4690 -14.4690 -5.8551 -5.8551 -5.8321 -5.8321 -5.6100 -5.6100 -5.5966 -5.5966 -5.5328 -5.5328 -5.2625 -5.2625 -4.1344 -4.1344 -4.1137 -4.1137 -4.0878 -4.0878 -3.5477 -3.5477 -3.5047 -3.5047 -3.4669 -3.4669 -3.4078 -3.4078 -3.3364 -3.3364 -3.2930 -3.2930 -2.7563 -2.7563 -2.6754 -2.6754 -2.6272 -2.6272 -2.5723 -2.5723 -2.5535 -2.5535 -2.4998 -2.4998 -2.3784 -2.3784 -2.2995 -2.2995 -2.2283 -2.2283 k = 0.4013 0.2317 0.5264 ( 9274 PWs) bands (ev): -15.7095 -15.7095 -15.3768 -15.3768 -15.3612 -15.3612 -14.6884 -14.6884 -14.6814 -14.6814 -14.6710 -14.6710 -14.4778 -14.4778 -14.4686 -14.4686 -5.8566 -5.8566 -5.8313 -5.8313 -5.6086 -5.6086 -5.5965 -5.5965 -5.5319 -5.5319 -5.2608 -5.2608 -4.1305 -4.1305 -4.1113 -4.1113 -4.0826 -4.0826 -3.5509 -3.5509 -3.5043 -3.5043 -3.4691 -3.4691 -3.4055 -3.4055 -3.3374 -3.3374 -3.2871 -3.2871 -2.7586 -2.7586 -2.6844 -2.6844 -2.6302 -2.6302 -2.5706 -2.5706 -2.5506 -2.5506 -2.5052 -2.5052 -2.3839 -2.3839 -2.2992 -2.2992 -2.2286 -2.2286 k = 0.3947 0.2279 0.5479 ( 9268 PWs) bands (ev): -15.7079 -15.7079 -15.3774 -15.3774 -15.3625 -15.3625 -14.6887 -14.6887 -14.6817 -14.6817 -14.6703 -14.6703 -14.4784 -14.4784 -14.4683 -14.4683 -5.8581 -5.8581 -5.8305 -5.8305 -5.6073 -5.6073 -5.5965 -5.5965 -5.5311 -5.5311 -5.2593 -5.2593 -4.1272 -4.1272 -4.1094 -4.1094 -4.0778 -4.0778 -3.5548 -3.5548 -3.5037 -3.5037 -3.4715 -3.4715 -3.4022 -3.4022 -3.3382 -3.3382 -3.2812 -3.2812 -2.7619 -2.7619 -2.6908 -2.6908 -2.6328 -2.6328 -2.5690 -2.5690 -2.5483 -2.5483 -2.5108 -2.5108 -2.3913 -2.3913 -2.2970 -2.2970 -2.2287 -2.2287 k = 0.3882 0.2241 0.5694 ( 9272 PWs) bands (ev): -15.7064 -15.7064 -15.3782 -15.3782 -15.3632 -15.3632 -14.6889 -14.6889 -14.6820 -14.6820 -14.6696 -14.6696 -14.4789 -14.4789 -14.4679 -14.4679 -5.8595 -5.8595 -5.8297 -5.8297 -5.6062 -5.6062 -5.5965 -5.5965 -5.5304 -5.5304 -5.2581 -5.2581 -4.1245 -4.1245 -4.1079 -4.1079 -4.0734 -4.0734 -3.5593 -3.5593 -3.5037 -3.5037 -3.4734 -3.4734 -3.3980 -3.3980 -3.3386 -3.3386 -3.2757 -3.2757 -2.7661 -2.7661 -2.6944 -2.6944 -2.6350 -2.6350 -2.5673 -2.5673 -2.5465 -2.5465 -2.5166 -2.5166 -2.3996 -2.3996 -2.2934 -2.2934 -2.2285 -2.2285 k = 0.3816 0.2203 0.5909 ( 9267 PWs) bands (ev): -15.7053 -15.7053 -15.3792 -15.3792 -15.3636 -15.3636 -14.6892 -14.6892 -14.6823 -14.6823 -14.6689 -14.6689 -14.4794 -14.4794 -14.4676 -14.4676 -5.8607 -5.8607 -5.8288 -5.8288 -5.6053 -5.6053 -5.5966 -5.5966 -5.5299 -5.5299 -5.2570 -5.2570 -4.1224 -4.1224 -4.1069 -4.1069 -4.0697 -4.0697 -3.5643 -3.5643 -3.5048 -3.5048 -3.4741 -3.4741 -3.3930 -3.3930 -3.3383 -3.3383 -3.2712 -3.2712 -2.7705 -2.7705 -2.6952 -2.6952 -2.6368 -2.6368 -2.5660 -2.5660 -2.5456 -2.5456 -2.5221 -2.5221 -2.4081 -2.4081 -2.2890 -2.2890 -2.2281 -2.2281 k = 0.3750 0.2165 0.6124 ( 9268 PWs) bands (ev): -15.7046 -15.7046 -15.3800 -15.3800 -15.3636 -15.3636 -14.6894 -14.6894 -14.6826 -14.6826 -14.6683 -14.6683 -14.4799 -14.4799 -14.4672 -14.4672 -5.8619 -5.8619 -5.8280 -5.8280 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1066 -4.1066 -4.0667 -4.0667 -3.5696 -3.5696 -3.5077 -3.5077 -3.4729 -3.4729 -3.3872 -3.3872 -3.3372 -3.3372 -3.2680 -3.2680 -2.7745 -2.7745 -2.6936 -2.6936 -2.6383 -2.6383 -2.5650 -2.5650 -2.5454 -2.5454 -2.5270 -2.5270 -2.4160 -2.4160 -2.2842 -2.2842 -2.2275 -2.2275 k = 0.6250-0.0722 0.4082 ( 9268 PWs) bands (ev): -15.7046 -15.7046 -15.3800 -15.3800 -15.3636 -15.3636 -14.6894 -14.6894 -14.6826 -14.6826 -14.6683 -14.6683 -14.4799 -14.4799 -14.4672 -14.4672 -5.8619 -5.8619 -5.8280 -5.8280 -5.6046 -5.6046 -5.5967 -5.5967 -5.5295 -5.5295 -5.2563 -5.2563 -4.1211 -4.1211 -4.1066 -4.1066 -4.0667 -4.0667 -3.5696 -3.5696 -3.5077 -3.5077 -3.4729 -3.4729 -3.3872 -3.3872 -3.3372 -3.3372 -3.2680 -3.2680 -2.7745 -2.7745 -2.6936 -2.6936 -2.6383 -2.6383 -2.5650 -2.5650 -2.5454 -2.5454 -2.5270 -2.5270 -2.4160 -2.4160 -2.2842 -2.2842 -2.2275 -2.2275 k = 0.6136-0.0919 0.4082 ( 9284 PWs) bands (ev): -15.7037 -15.7037 -15.3813 -15.3813 -15.3632 -15.3632 -14.6898 -14.6898 -14.6831 -14.6831 -14.6673 -14.6673 -14.4806 -14.4806 -14.4667 -14.4667 -5.8637 -5.8637 -5.8267 -5.8267 -5.6037 -5.6037 -5.5970 -5.5970 -5.5291 -5.5291 -5.2554 -5.2554 -4.1197 -4.1197 -4.1067 -4.1067 -4.0626 -4.0626 -3.5789 -3.5789 -3.5152 -3.5152 -3.4682 -3.4682 -3.3767 -3.3767 -3.3348 -3.3348 -3.2640 -3.2640 -2.7800 -2.7800 -2.6883 -2.6883 -2.6406 -2.6406 -2.5641 -2.5641 -2.5463 -2.5463 -2.5345 -2.5345 -2.4292 -2.4292 -2.2755 -2.2755 -2.2265 -2.2265 k = 0.6023-0.1115 0.4082 ( 9302 PWs) bands (ev): -15.7031 -15.7031 -15.3825 -15.3825 -15.3627 -15.3627 -14.6902 -14.6902 -14.6836 -14.6836 -14.6663 -14.6663 -14.4814 -14.4814 -14.4661 -14.4661 -5.8655 -5.8655 -5.8254 -5.8254 -5.6029 -5.6029 -5.5973 -5.5973 -5.5288 -5.5288 -5.2547 -5.2547 -4.1188 -4.1188 -4.1071 -4.1071 -4.0589 -4.0589 -3.5875 -3.5875 -3.5235 -3.5235 -3.4624 -3.4624 -3.3664 -3.3664 -3.3327 -3.3327 -3.2600 -3.2600 -2.7850 -2.7850 -2.6815 -2.6815 -2.6430 -2.6430 -2.5633 -2.5633 -2.5477 -2.5477 -2.5413 -2.5413 -2.4426 -2.4426 -2.2668 -2.2668 -2.2254 -2.2254 k = 0.5909-0.1312 0.4082 ( 9292 PWs) bands (ev): -15.7026 -15.7026 -15.3836 -15.3836 -15.3621 -15.3621 -14.6906 -14.6906 -14.6841 -14.6841 -14.6654 -14.6654 -14.4820 -14.4820 -14.4656 -14.4656 -5.8671 -5.8671 -5.8241 -5.8241 -5.6022 -5.6022 -5.5976 -5.5976 -5.5285 -5.5285 -5.2541 -5.2541 -4.1183 -4.1183 -4.1076 -4.1076 -4.0556 -4.0556 -3.5953 -3.5953 -3.5316 -3.5316 -3.4566 -3.4566 -3.3568 -3.3568 -3.3306 -3.3306 -3.2563 -3.2563 -2.7893 -2.7893 -2.6735 -2.6735 -2.6454 -2.6454 -2.5626 -2.5626 -2.5498 -2.5498 -2.5470 -2.5470 -2.4562 -2.4562 -2.2584 -2.2584 -2.2245 -2.2244 k = 0.5795-0.1509 0.4082 ( 9266 PWs) bands (ev): -15.7023 -15.7023 -15.3845 -15.3845 -15.3615 -15.3615 -14.6910 -14.6910 -14.6845 -14.6845 -14.6646 -14.6646 -14.4826 -14.4826 -14.4651 -14.4651 -5.8686 -5.8686 -5.8229 -5.8229 -5.6015 -5.6015 -5.5979 -5.5979 -5.5283 -5.5283 -5.2537 -5.2537 -4.1181 -4.1181 -4.1083 -4.1083 -4.0527 -4.0527 -3.6023 -3.6023 -3.5391 -3.5391 -3.4514 -3.4514 -3.3480 -3.3480 -3.3284 -3.3284 -3.2528 -3.2528 -2.7929 -2.7929 -2.6646 -2.6646 -2.6476 -2.6476 -2.5621 -2.5621 -2.5539 -2.5539 -2.5500 -2.5500 -2.4700 -2.4700 -2.2504 -2.2504 -2.2235 -2.2235 k = 0.5682-0.1706 0.4082 ( 9274 PWs) bands (ev): -15.7020 -15.7020 -15.3854 -15.3854 -15.3608 -15.3608 -14.6913 -14.6913 -14.6849 -14.6849 -14.6639 -14.6639 -14.4832 -14.4832 -14.4646 -14.4646 -5.8699 -5.8699 -5.8218 -5.8218 -5.6010 -5.6010 -5.5982 -5.5982 -5.5282 -5.5282 -5.2533 -5.2533 -4.1181 -4.1181 -4.1091 -4.1091 -4.0503 -4.0503 -3.6084 -3.6084 -3.5457 -3.5457 -3.4468 -3.4468 -3.3405 -3.3405 -3.3259 -3.3259 -3.2496 -3.2496 -2.7961 -2.7961 -2.6564 -2.6564 -2.6481 -2.6481 -2.5617 -2.5617 -2.5585 -2.5585 -2.5518 -2.5518 -2.4838 -2.4838 -2.2431 -2.2431 -2.2226 -2.2226 k = 0.5568-0.1903 0.4082 ( 9286 PWs) bands (ev): -15.7019 -15.7019 -15.3862 -15.3862 -15.3601 -15.3601 -14.6916 -14.6916 -14.6852 -14.6852 -14.6632 -14.6632 -14.4836 -14.4836 -14.4642 -14.4642 -5.8711 -5.8711 -5.8208 -5.8208 -5.6005 -5.6005 -5.5986 -5.5986 -5.5281 -5.5281 -5.2530 -5.2530 -4.1184 -4.1184 -4.1098 -4.1098 -4.0483 -4.0483 -3.6136 -3.6136 -3.5514 -3.5514 -3.4430 -3.4430 -3.3347 -3.3347 -3.3228 -3.3228 -3.2469 -3.2469 -2.7987 -2.7987 -2.6548 -2.6548 -2.6413 -2.6413 -2.5625 -2.5625 -2.5615 -2.5615 -2.5533 -2.5533 -2.4976 -2.4976 -2.2367 -2.2367 -2.2218 -2.2218 k = 0.5455-0.2099 0.4082 ( 9292 PWs) bands (ev): -15.7018 -15.7018 -15.3868 -15.3868 -15.3595 -15.3595 -14.6919 -14.6919 -14.6854 -14.6854 -14.6627 -14.6627 -14.4840 -14.4840 -14.4639 -14.4639 -5.8721 -5.8721 -5.8200 -5.8200 -5.6002 -5.6002 -5.5988 -5.5988 -5.5280 -5.5280 -5.2528 -5.2528 -4.1187 -4.1187 -4.1104 -4.1104 -4.0467 -4.0467 -3.6179 -3.6179 -3.5560 -3.5560 -3.4400 -3.4400 -3.3308 -3.3308 -3.3191 -3.3191 -3.2446 -3.2446 -2.8008 -2.8008 -2.6563 -2.6563 -2.6305 -2.6305 -2.5659 -2.5659 -2.5615 -2.5615 -2.5544 -2.5544 -2.5112 -2.5112 -2.2314 -2.2314 -2.2210 -2.2210 k = 0.5341-0.2296 0.4082 ( 9300 PWs) bands (ev): -15.7018 -15.7018 -15.3873 -15.3873 -15.3591 -15.3591 -14.6921 -14.6921 -14.6857 -14.6857 -14.6622 -14.6622 -14.4844 -14.4844 -14.4637 -14.4637 -5.8729 -5.8729 -5.8194 -5.8194 -5.6000 -5.6000 -5.5990 -5.5990 -5.5280 -5.5280 -5.2527 -5.2527 -4.1191 -4.1191 -4.1110 -4.1110 -4.0455 -4.0455 -3.6211 -3.6211 -3.5597 -3.5597 -3.4377 -3.4377 -3.3283 -3.3283 -3.3154 -3.3154 -3.2428 -3.2428 -2.8025 -2.8025 -2.6579 -2.6579 -2.6191 -2.6191 -2.5686 -2.5686 -2.5616 -2.5616 -2.5552 -2.5552 -2.5243 -2.5243 -2.2275 -2.2275 -2.2201 -2.2201 k = 0.5227-0.2493 0.4082 ( 9312 PWs) bands (ev): -15.7018 -15.7018 -15.3877 -15.3877 -15.3587 -15.3587 -14.6922 -14.6922 -14.6858 -14.6858 -14.6619 -14.6619 -14.4846 -14.4846 -14.4635 -14.4635 -5.8734 -5.8734 -5.8189 -5.8189 -5.5999 -5.5999 -5.5991 -5.5991 -5.5280 -5.5280 -5.2526 -5.2526 -4.1194 -4.1194 -4.1114 -4.1114 -4.0446 -4.0446 -3.6235 -3.6235 -3.5623 -3.5623 -3.4360 -3.4360 -3.3268 -3.3268 -3.3125 -3.3125 -3.2414 -3.2414 -2.8037 -2.8037 -2.6592 -2.6592 -2.6080 -2.6080 -2.5709 -2.5709 -2.5617 -2.5617 -2.5557 -2.5557 -2.5364 -2.5364 -2.2249 -2.2249 -2.2191 -2.2191 k = 0.5114-0.2690 0.4082 ( 9296 PWs) bands (ev): -15.7018 -15.7018 -15.3879 -15.3879 -15.3585 -15.3585 -14.6923 -14.6923 -14.6859 -14.6859 -14.6617 -14.6617 -14.4847 -14.4847 -14.4633 -14.4633 -5.8738 -5.8738 -5.8186 -5.8186 -5.5998 -5.5998 -5.5990 -5.5990 -5.5279 -5.5279 -5.2525 -5.2525 -4.1196 -4.1196 -4.1117 -4.1117 -4.0440 -4.0440 -3.6249 -3.6249 -3.5638 -3.5638 -3.4351 -3.4351 -3.3259 -3.3259 -3.3106 -3.3106 -3.2406 -3.2406 -2.8043 -2.8043 -2.6600 -2.6600 -2.5985 -2.5985 -2.5729 -2.5729 -2.5616 -2.5616 -2.5559 -2.5559 -2.5459 -2.5459 -2.2236 -2.2236 -2.2181 -2.2181 k = 0.5000-0.2887 0.4082 ( 9272 PWs) bands (ev): -15.7018 -15.7018 -15.3880 -15.3880 -15.3584 -15.3584 -14.6923 -14.6923 -14.6859 -14.6859 -14.6617 -14.6617 -14.4848 -14.4848 -14.4633 -14.4633 -5.8739 -5.8739 -5.8185 -5.8185 -5.5998 -5.5998 -5.5990 -5.5990 -5.5279 -5.5279 -5.2525 -5.2525 -4.1197 -4.1197 -4.1117 -4.1117 -4.0439 -4.0439 -3.6254 -3.6254 -3.5643 -3.5643 -3.4348 -3.4348 -3.3256 -3.3256 -3.3099 -3.3099 -3.2404 -3.2404 -2.8046 -2.8046 -2.6602 -2.6602 -2.5942 -2.5942 -2.5741 -2.5741 -2.5613 -2.5613 -2.5560 -2.5560 -2.5499 -2.5499 -2.2233 -2.2233 -2.2178 -2.2177 Writing output data file NixN3Clx2.save init_run : 0.45s CPU 0.60s WALL ( 1 calls) electrons : 173.58s CPU 176.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 173.58s CPU 176.05s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.06s WALL ( 210 calls) cegterg : 155.78s CPU 157.57s WALL ( 213 calls) Called by sum_band: Called by *egterg: h_psi : 107.60s CPU 109.47s WALL ( 3320 calls) s_psi : 4.18s CPU 4.25s WALL ( 3320 calls) g_psi : 0.17s CPU 0.17s WALL ( 2897 calls) cdiaghg : 43.30s CPU 43.45s WALL ( 3107 calls) cegterg:over : 6.97s CPU 7.01s WALL ( 2897 calls) cegterg:upda : 4.38s CPU 4.50s WALL ( 2897 calls) cegterg:last : 2.95s CPU 2.97s WALL ( 633 calls) cdiaghg:chol : 1.95s CPU 1.87s WALL ( 3107 calls) cdiaghg:inve : 1.10s CPU 1.14s WALL ( 3107 calls) cdiaghg:para : 2.40s CPU 2.47s WALL ( 6214 calls) Called by h_psi: h_psi:vloc : 97.29s CPU 98.98s WALL ( 3320 calls) h_psi:vnl : 10.14s CPU 10.31s WALL ( 3320 calls) add_vuspsi : 5.02s CPU 4.94s WALL ( 3320 calls) General routines calbec : 5.11s CPU 5.36s WALL ( 3320 calls) fft : 0.03s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.33s CPU 93.83s WALL ( 534212 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.14s CPU 0.18s WALL ( 420 calls) Parallel routines fft_scatter : 59.86s CPU 60.71s WALL ( 534235 calls) PWSCF : 3m23.92s CPU 3m37.61s WALL This run was terminated on: 6:33:28 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=