Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8:19:46 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: ./SexNCl3x2.save/ 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 54 31 8 2229 960 139 Max 55 32 9 2233 982 145 Sum 3889 2233 625 160669 69665 10177 bravais-lattice index = 14 lattice parameter (alat) = 13.2755 a.u. unit-cell volume = 1654.3985 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.275525 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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) Se 6.00 78.96000 Se( 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= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0156250 -0.0090211 0.0127578), wk = 0.0045662 k( 3) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0045662 k( 4) = ( 0.0468750 -0.0270633 0.0382733), wk = 0.0045662 k( 5) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0045662 k( 6) = ( 0.0781250 -0.0451055 0.0637888), wk = 0.0045662 k( 7) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0045662 k( 8) = ( 0.1093750 -0.0631477 0.0893043), wk = 0.0045662 k( 9) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0045662 k( 10) = ( 0.1406250 -0.0811899 0.1148198), wk = 0.0045662 k( 11) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0045662 k( 12) = ( 0.1718750 -0.0992321 0.1403353), wk = 0.0045662 k( 13) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0045662 k( 14) = ( 0.2031250 -0.1172743 0.1658509), wk = 0.0045662 k( 15) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0045662 k( 16) = ( 0.2343750 -0.1353165 0.1913664), wk = 0.0045662 k( 17) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0045662 k( 18) = ( 0.2656250 -0.1533587 0.2168819), wk = 0.0045662 k( 19) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0045662 k( 20) = ( 0.2968750 -0.1714009 0.2423974), wk = 0.0045662 k( 21) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0045662 k( 22) = ( 0.3281250 -0.1894431 0.2679129), wk = 0.0045662 k( 23) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0045662 k( 24) = ( 0.3593750 -0.2074853 0.2934285), wk = 0.0045662 k( 25) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0045662 k( 26) = ( 0.3906250 -0.2255274 0.3189440), wk = 0.0045662 k( 27) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0045662 k( 28) = ( 0.4218750 -0.2435696 0.3444595), wk = 0.0045662 k( 29) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0045662 k( 30) = ( 0.4531250 -0.2616118 0.3699750), wk = 0.0045662 k( 31) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0045662 k( 32) = ( 0.4843750 -0.2796540 0.3954905), wk = 0.0045662 k( 33) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0045662 k( 34) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0045662 k( 35) = ( 0.5000000 -0.2706329 0.4210060), wk = 0.0045662 k( 36) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0045662 k( 37) = ( 0.5000000 -0.2345485 0.4465216), wk = 0.0045662 k( 38) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0045662 k( 39) = ( 0.5000000 -0.1984642 0.4720371), wk = 0.0045662 k( 40) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0045662 k( 41) = ( 0.5000000 -0.1623798 0.4975526), wk = 0.0045662 k( 42) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0045662 k( 43) = ( 0.5000000 -0.1262954 0.5230681), wk = 0.0045662 k( 44) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0045662 k( 45) = ( 0.5000000 -0.0902110 0.5485836), wk = 0.0045662 k( 46) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0045662 k( 47) = ( 0.5000000 -0.0541266 0.5740992), wk = 0.0045662 k( 48) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0045662 k( 49) = ( 0.5000000 -0.0180422 0.5996147), wk = 0.0045662 k( 50) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0045662 k( 51) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0045662 k( 52) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0045662 k( 53) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0045662 k( 54) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0045662 k( 55) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0045662 k( 56) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0045662 k( 57) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0045662 k( 58) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0045662 k( 59) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0045662 k( 60) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0045662 k( 61) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0045662 k( 62) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0045662 k( 63) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0045662 k( 64) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0045662 k( 65) = ( 0.3639706 0.2101385 0.5943615), wk = 0.0045662 k( 66) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0045662 k( 67) = ( 0.3419118 0.1974028 0.5583396), wk = 0.0045662 k( 68) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0045662 k( 69) = ( 0.3198529 0.1846672 0.5223177), wk = 0.0045662 k( 70) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0045662 k( 71) = ( 0.2977941 0.1719315 0.4862958), wk = 0.0045662 k( 72) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0045662 k( 73) = ( 0.2757353 0.1591958 0.4502739), wk = 0.0045662 k( 74) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0045662 k( 75) = ( 0.2536765 0.1464602 0.4142519), wk = 0.0045662 k( 76) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0045662 k( 77) = ( 0.2316177 0.1337245 0.3782300), wk = 0.0045662 k( 78) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0045662 k( 79) = ( 0.2095588 0.1209888 0.3422081), wk = 0.0045662 k( 80) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0045662 k( 81) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0045662 k( 82) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0045662 k( 83) = ( 0.1654412 0.0955175 0.2701643), wk = 0.0045662 k( 84) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0045662 k( 85) = ( 0.1433823 0.0827818 0.2341424), wk = 0.0045662 k( 86) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0045662 k( 87) = ( 0.1213235 0.0700462 0.1981205), wk = 0.0045662 k( 88) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0045662 k( 89) = ( 0.0992647 0.0573105 0.1620986), wk = 0.0045662 k( 90) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0045662 k( 91) = ( 0.0772059 0.0445748 0.1260767), wk = 0.0045662 k( 92) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0045662 k( 93) = ( 0.0551471 0.0318392 0.0900548), wk = 0.0045662 k( 94) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0045662 k( 95) = ( 0.0330882 0.0191035 0.0540329), wk = 0.0045662 k( 96) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0045662 k( 97) = ( 0.0110294 0.0063678 0.0180110), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0178571 0.0103098 0.0072901), wk = 0.0045662 k( 101) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0045662 k( 102) = ( 0.0535714 0.0309295 0.0218704), wk = 0.0045662 k( 103) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0045662 k( 104) = ( 0.0892857 0.0515491 0.0364507), wk = 0.0045662 k( 105) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0045662 k( 106) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0045662 k( 107) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0045662 k( 108) = ( 0.1607143 0.0927884 0.0656113), wk = 0.0045662 k( 109) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0045662 k( 110) = ( 0.1964286 0.1134081 0.0801916), wk = 0.0045662 k( 111) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0045662 k( 112) = ( 0.2321429 0.1340277 0.0947719), wk = 0.0045662 k( 113) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0045662 k( 114) = ( 0.2678571 0.1546474 0.1093522), wk = 0.0045662 k( 115) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0045662 k( 116) = ( 0.3035714 0.1752670 0.1239325), wk = 0.0045662 k( 117) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0045662 k( 118) = ( 0.3392857 0.1958867 0.1385128), wk = 0.0045662 k( 119) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0045662 k( 120) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0045662 k( 121) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0045662 k( 122) = ( 0.4107143 0.2371260 0.1676734), wk = 0.0045662 k( 123) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0045662 k( 124) = ( 0.4464286 0.2577457 0.1822537), wk = 0.0045662 k( 125) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0045662 k( 126) = ( 0.4821429 0.2783653 0.1968340), wk = 0.0045662 k( 127) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 128) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 129) = ( 0.5062500 0.2706329 0.2143304), wk = 0.0045662 k( 130) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0045662 k( 131) = ( 0.5187500 0.2345485 0.2347428), wk = 0.0045662 k( 132) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0045662 k( 133) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0045662 k( 134) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0045662 k( 135) = ( 0.5437500 0.1623798 0.2755676), wk = 0.0045662 k( 136) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0045662 k( 137) = ( 0.5562500 0.1262954 0.2959800), wk = 0.0045662 k( 138) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0045662 k( 139) = ( 0.5687500 0.0902110 0.3163924), wk = 0.0045662 k( 140) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0045662 k( 141) = ( 0.5812500 0.0541266 0.3368048), wk = 0.0045662 k( 142) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0045662 k( 143) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0045662 k( 144) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0045662 k( 145) = ( 0.6062500 -0.0180422 0.3776297), wk = 0.0045662 k( 146) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0045662 k( 147) = ( 0.6187500 -0.0541266 0.3980421), wk = 0.0045662 k( 148) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0045662 k( 149) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0045662 k( 150) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0045662 k( 151) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0045662 k( 152) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0045662 k( 153) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0045662 k( 154) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0045662 k( 155) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0045662 k( 156) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0045662 k( 157) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0045662 k( 158) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0045662 k( 159) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0045662 k( 160) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0045662 k( 161) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0045662 k( 162) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0045662 k( 163) = ( 0.5000000 0.0125511 0.5946225), wk = 0.0045662 k( 164) = ( 0.5000000 0.0251022 0.5768726), wk = 0.0045662 k( 165) = ( 0.5000000 0.0376533 0.5591227), wk = 0.0045662 k( 166) = ( 0.5000000 0.0502044 0.5413727), wk = 0.0045662 k( 167) = ( 0.5000000 0.0627555 0.5236228), wk = 0.0045662 k( 168) = ( 0.5000000 0.0753066 0.5058729), wk = 0.0045662 k( 169) = ( 0.5000000 0.0878577 0.4881230), wk = 0.0045662 k( 170) = ( 0.5000000 0.1004087 0.4703730), wk = 0.0045662 k( 171) = ( 0.5000000 0.1129598 0.4526231), wk = 0.0045662 k( 172) = ( 0.5000000 0.1255109 0.4348732), wk = 0.0045662 k( 173) = ( 0.5000000 0.1380620 0.4171232), wk = 0.0045662 k( 174) = ( 0.5000000 0.1506131 0.3993733), wk = 0.0045662 k( 175) = ( 0.5000000 0.1631642 0.3816234), wk = 0.0045662 k( 176) = ( 0.5000000 0.1757153 0.3638735), wk = 0.0045662 k( 177) = ( 0.5000000 0.1882664 0.3461235), wk = 0.0045662 k( 178) = ( 0.5000000 0.2008175 0.3283736), wk = 0.0045662 k( 179) = ( 0.5000000 0.2133686 0.3106237), wk = 0.0045662 k( 180) = ( 0.5000000 0.2259197 0.2928738), wk = 0.0045662 k( 181) = ( 0.5000000 0.2384708 0.2751238), wk = 0.0045662 k( 182) = ( 0.5000000 0.2510219 0.2573739), wk = 0.0045662 k( 183) = ( 0.5000000 0.2635729 0.2396240), wk = 0.0045662 k( 184) = ( 0.5000000 0.2761240 0.2218741), wk = 0.0045662 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 186) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0045662 k( 187) = ( 0.4937500 0.2850667 0.2245366), wk = 0.0045662 k( 188) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0045662 k( 189) = ( 0.4812500 0.2778498 0.2653614), wk = 0.0045662 k( 190) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0045662 k( 191) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0045662 k( 192) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0045662 k( 193) = ( 0.4562500 0.2634161 0.3470110), wk = 0.0045662 k( 194) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0045662 k( 195) = ( 0.4437500 0.2561992 0.3878359), wk = 0.0045662 k( 196) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0045662 k( 197) = ( 0.4312500 0.2489823 0.4286607), wk = 0.0045662 k( 198) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0045662 k( 199) = ( 0.4187500 0.2417654 0.4694855), wk = 0.0045662 k( 200) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0045662 k( 201) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0045662 k( 202) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0045662 k( 203) = ( 0.3937500 0.2273317 0.5511352), wk = 0.0045662 k( 204) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0045662 k( 205) = ( 0.3812500 0.2201148 0.5919600), wk = 0.0045662 k( 206) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0045662 k( 207) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0045662 k( 208) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0045662 k( 209) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0045662 k( 210) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0045662 k( 211) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0045662 k( 212) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0045662 k( 213) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0045662 k( 214) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0045662 k( 215) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0045662 k( 216) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0045662 k( 217) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0045662 k( 218) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0045662 k( 219) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0156250 0.0000000 0.0156250), wk = 0.0045662 k( 3) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0045662 k( 4) = ( 0.0468750 -0.0000000 0.0468750), wk = 0.0045662 k( 5) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0045662 k( 6) = ( 0.0781250 -0.0000000 0.0781250), wk = 0.0045662 k( 7) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0045662 k( 8) = ( 0.1093750 -0.0000000 0.1093750), wk = 0.0045662 k( 9) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0045662 k( 10) = ( 0.1406250 -0.0000000 0.1406250), wk = 0.0045662 k( 11) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0045662 k( 12) = ( 0.1718750 -0.0000000 0.1718750), wk = 0.0045662 k( 13) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0045662 k( 14) = ( 0.2031250 -0.0000000 0.2031250), wk = 0.0045662 k( 15) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0045662 k( 16) = ( 0.2343750 -0.0000000 0.2343750), wk = 0.0045662 k( 17) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0045662 k( 18) = ( 0.2656250 -0.0000000 0.2656250), wk = 0.0045662 k( 19) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0045662 k( 20) = ( 0.2968750 -0.0000000 0.2968750), wk = 0.0045662 k( 21) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0045662 k( 22) = ( 0.3281250 -0.0000000 0.3281250), wk = 0.0045662 k( 23) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0045662 k( 24) = ( 0.3593750 -0.0000000 0.3593750), wk = 0.0045662 k( 25) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0045662 k( 26) = ( 0.3906250 -0.0000000 0.3906250), wk = 0.0045662 k( 27) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0045662 k( 28) = ( 0.4218750 -0.0000000 0.4218750), wk = 0.0045662 k( 29) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0045662 k( 30) = ( 0.4531250 -0.0000000 0.4531250), wk = 0.0045662 k( 31) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0045662 k( 32) = ( 0.4843750 -0.0000000 0.4843750), wk = 0.0045662 k( 33) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045662 k( 34) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045662 k( 35) = ( 0.5000000 0.0156250 0.5156250), wk = 0.0045662 k( 36) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0045662 k( 37) = ( 0.5000000 0.0468750 0.5468750), wk = 0.0045662 k( 38) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0045662 k( 39) = ( 0.5000000 0.0781250 0.5781250), wk = 0.0045662 k( 40) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0045662 k( 41) = ( 0.5000000 0.1093750 0.6093750), wk = 0.0045662 k( 42) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0045662 k( 43) = ( 0.5000000 0.1406250 0.6406250), wk = 0.0045662 k( 44) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0045662 k( 45) = ( 0.5000000 0.1718750 0.6718750), wk = 0.0045662 k( 46) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0045662 k( 47) = ( 0.5000000 0.2031250 0.7031250), wk = 0.0045662 k( 48) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0045662 k( 49) = ( 0.5000000 0.2343750 0.7343750), wk = 0.0045662 k( 50) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 51) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 52) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0045662 k( 53) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0045662 k( 54) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0045662 k( 55) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0045662 k( 56) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0045662 k( 57) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0045662 k( 58) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0045662 k( 59) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0045662 k( 60) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0045662 k( 61) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0045662 k( 62) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0045662 k( 63) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 64) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 65) = ( 0.3639706 0.3639706 0.7279412), wk = 0.0045662 k( 66) = ( 0.3529412 0.3529412 0.7058823), wk = 0.0045662 k( 67) = ( 0.3419118 0.3419118 0.6838235), wk = 0.0045662 k( 68) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0045662 k( 69) = ( 0.3198529 0.3198529 0.6397059), wk = 0.0045662 k( 70) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0045662 k( 71) = ( 0.2977941 0.2977941 0.5955882), wk = 0.0045662 k( 72) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0045662 k( 73) = ( 0.2757353 0.2757353 0.5514706), wk = 0.0045662 k( 74) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0045662 k( 75) = ( 0.2536765 0.2536765 0.5073529), wk = 0.0045662 k( 76) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0045662 k( 77) = ( 0.2316177 0.2316177 0.4632353), wk = 0.0045662 k( 78) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0045662 k( 79) = ( 0.2095588 0.2095588 0.4191177), wk = 0.0045662 k( 80) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0045662 k( 81) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0045662 k( 82) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0045662 k( 83) = ( 0.1654412 0.1654412 0.3308823), wk = 0.0045662 k( 84) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0045662 k( 85) = ( 0.1433823 0.1433823 0.2867647), wk = 0.0045662 k( 86) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0045662 k( 87) = ( 0.1213235 0.1213235 0.2426471), wk = 0.0045662 k( 88) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0045662 k( 89) = ( 0.0992647 0.0992647 0.1985294), wk = 0.0045662 k( 90) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0045662 k( 91) = ( 0.0772059 0.0772059 0.1544118), wk = 0.0045662 k( 92) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0045662 k( 93) = ( 0.0551471 0.0551471 0.1102941), wk = 0.0045662 k( 94) = ( 0.0441177 0.0441176 0.0882353), wk = 0.0045662 k( 95) = ( 0.0330882 0.0330882 0.0661765), wk = 0.0045662 k( 96) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0045662 k( 97) = ( 0.0110294 0.0110294 0.0220588), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 100) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0045662 k( 101) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0045662 k( 102) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0045662 k( 103) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0045662 k( 104) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0045662 k( 105) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0045662 k( 106) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0045662 k( 107) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0045662 k( 108) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0045662 k( 109) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0045662 k( 110) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0045662 k( 111) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0045662 k( 112) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0045662 k( 113) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045662 k( 114) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0045662 k( 115) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0045662 k( 116) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0045662 k( 117) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0045662 k( 118) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0045662 k( 119) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0045662 k( 120) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0045662 k( 121) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0045662 k( 122) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0045662 k( 123) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0045662 k( 124) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0045662 k( 125) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0045662 k( 126) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0045662 k( 127) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 128) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 129) = ( 0.5062500 0.4875000 0.5062500), wk = 0.0045662 k( 130) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0045662 k( 131) = ( 0.5187500 0.4625000 0.5187500), wk = 0.0045662 k( 132) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0045662 k( 133) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0045662 k( 134) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0045662 k( 135) = ( 0.5437500 0.4125000 0.5437500), wk = 0.0045662 k( 136) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0045662 k( 137) = ( 0.5562500 0.3875000 0.5562500), wk = 0.0045662 k( 138) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0045662 k( 139) = ( 0.5687500 0.3625000 0.5687500), wk = 0.0045662 k( 140) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0045662 k( 141) = ( 0.5812500 0.3375000 0.5812500), wk = 0.0045662 k( 142) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0045662 k( 143) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0045662 k( 144) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0045662 k( 145) = ( 0.6062500 0.2875000 0.6062500), wk = 0.0045662 k( 146) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0045662 k( 147) = ( 0.6187500 0.2625000 0.6187500), wk = 0.0045662 k( 148) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 149) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 150) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0045662 k( 151) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0045662 k( 152) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0045662 k( 153) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0045662 k( 154) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0045662 k( 155) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0045662 k( 156) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0045662 k( 157) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0045662 k( 158) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0045662 k( 159) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0045662 k( 160) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0045662 k( 161) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 162) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0045662 k( 163) = ( 0.5000000 0.2608696 0.7391304), wk = 0.0045662 k( 164) = ( 0.5000000 0.2717391 0.7282609), wk = 0.0045662 k( 165) = ( 0.5000000 0.2826087 0.7173913), wk = 0.0045662 k( 166) = ( 0.5000000 0.2934783 0.7065217), wk = 0.0045662 k( 167) = ( 0.5000000 0.3043478 0.6956522), wk = 0.0045662 k( 168) = ( 0.5000000 0.3152174 0.6847826), wk = 0.0045662 k( 169) = ( 0.5000000 0.3260870 0.6739130), wk = 0.0045662 k( 170) = ( 0.5000000 0.3369565 0.6630435), wk = 0.0045662 k( 171) = ( 0.5000000 0.3478261 0.6521739), wk = 0.0045662 k( 172) = ( 0.5000000 0.3586956 0.6413043), wk = 0.0045662 k( 173) = ( 0.5000000 0.3695652 0.6304348), wk = 0.0045662 k( 174) = ( 0.5000000 0.3804348 0.6195652), wk = 0.0045662 k( 175) = ( 0.5000000 0.3913043 0.6086957), wk = 0.0045662 k( 176) = ( 0.5000000 0.4021739 0.5978261), wk = 0.0045662 k( 177) = ( 0.5000000 0.4130435 0.5869565), wk = 0.0045662 k( 178) = ( 0.5000000 0.4239130 0.5760870), wk = 0.0045662 k( 179) = ( 0.5000000 0.4347826 0.5652174), wk = 0.0045662 k( 180) = ( 0.5000000 0.4456522 0.5543478), wk = 0.0045662 k( 181) = ( 0.5000000 0.4565217 0.5434783), wk = 0.0045662 k( 182) = ( 0.5000000 0.4673913 0.5326087), wk = 0.0045662 k( 183) = ( 0.5000000 0.4782609 0.5217391), wk = 0.0045662 k( 184) = ( 0.5000000 0.4891304 0.5108696), wk = 0.0045662 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045662 k( 187) = ( 0.4937500 0.4937500 0.5125000), wk = 0.0045662 k( 188) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0045662 k( 189) = ( 0.4812500 0.4812500 0.5375000), wk = 0.0045662 k( 190) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0045662 k( 191) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0045662 k( 192) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0045662 k( 193) = ( 0.4562500 0.4562500 0.5875000), wk = 0.0045662 k( 194) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0045662 k( 195) = ( 0.4437500 0.4437500 0.6125000), wk = 0.0045662 k( 196) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0045662 k( 197) = ( 0.4312500 0.4312500 0.6375000), wk = 0.0045662 k( 198) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0045662 k( 199) = ( 0.4187500 0.4187500 0.6625000), wk = 0.0045662 k( 200) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0045662 k( 201) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0045662 k( 202) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0045662 k( 203) = ( 0.3937500 0.3937500 0.7125000), wk = 0.0045662 k( 204) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0045662 k( 205) = ( 0.3812500 0.3812500 0.7375000), wk = 0.0045662 k( 206) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0045662 k( 207) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0045662 k( 208) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0045662 k( 209) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0045662 k( 210) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0045662 k( 211) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0045662 k( 212) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0045662 k( 213) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0045662 k( 214) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0045662 k( 215) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0045662 k( 216) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0045662 k( 217) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0045662 k( 218) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0045662 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045662 Dense grid: 160669 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 69665 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 246, 70) NL pseudopotentials 0.46 Mb ( 123, 246) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2233) G-vector shells 0.01 Mb ( 746) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 246, 280) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.53 Mb ( 246, 2, 70) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SexNCl3x2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 8.4 secs Computing kpt #: 3 total cpu time spent up to now is 10.9 secs Computing kpt #: 4 total cpu time spent up to now is 13.5 secs Computing kpt #: 5 total cpu time spent up to now is 16.3 secs Computing kpt #: 6 total cpu time spent up to now is 19.0 secs Computing kpt #: 7 total cpu time spent up to now is 22.7 secs Computing kpt #: 8 total cpu time spent up to now is 25.4 secs Computing kpt #: 9 total cpu time spent up to now is 28.2 secs Computing kpt #: 10 total cpu time spent up to now is 33.0 secs Computing kpt #: 11 total cpu time spent up to now is 35.5 secs Computing kpt #: 12 total cpu time spent up to now is 38.2 secs Computing kpt #: 13 total cpu time spent up to now is 40.7 secs Computing kpt #: 14 total cpu time spent up to now is 43.4 secs Computing kpt #: 15 total cpu time spent up to now is 48.6 secs Computing kpt #: 16 total cpu time spent up to now is 51.1 secs Computing kpt #: 17 total cpu time spent up to now is 54.7 secs Computing kpt #: 18 total cpu time spent up to now is 58.2 secs Computing kpt #: 19 total cpu time spent up to now is 60.9 secs Computing kpt #: 20 total cpu time spent up to now is 63.2 secs Computing kpt #: 21 total cpu time spent up to now is 65.7 secs Computing kpt #: 22 total cpu time spent up to now is 68.4 secs Computing kpt #: 23 total cpu time spent up to now is 71.0 secs Computing kpt #: 24 total cpu time spent up to now is 73.1 secs Computing kpt #: 25 total cpu time spent up to now is 75.2 secs Computing kpt #: 26 total cpu time spent up to now is 77.7 secs Computing kpt #: 27 total cpu time spent up to now is 80.2 secs Computing kpt #: 28 total cpu time spent up to now is 82.7 secs Computing kpt #: 29 total cpu time spent up to now is 85.3 secs Computing kpt #: 30 total cpu time spent up to now is 87.9 secs Computing kpt #: 31 total cpu time spent up to now is 90.8 secs Computing kpt #: 32 total cpu time spent up to now is 93.3 secs Computing kpt #: 33 total cpu time spent up to now is 95.7 secs Computing kpt #: 34 total cpu time spent up to now is 98.3 secs Computing kpt #: 35 total cpu time spent up to now is 100.8 secs Computing kpt #: 36 total cpu time spent up to now is 104.4 secs Computing kpt #: 37 total cpu time spent up to now is 108.3 secs Computing kpt #: 38 total cpu time spent up to now is 112.9 secs Computing kpt #: 39 total cpu time spent up to now is 115.8 secs Computing kpt #: 40 total cpu time spent up to now is 118.3 secs Computing kpt #: 41 total cpu time spent up to now is 120.5 secs Computing kpt #: 42 total cpu time spent up to now is 123.0 secs Computing kpt #: 43 total cpu time spent up to now is 125.4 secs Computing kpt #: 44 total cpu time spent up to now is 127.9 secs Computing kpt #: 45 total cpu time spent up to now is 130.7 secs Computing kpt #: 46 total cpu time spent up to now is 133.1 secs Computing kpt #: 47 total cpu time spent up to now is 135.6 secs Computing kpt #: 48 total cpu time spent up to now is 138.1 secs Computing kpt #: 49 total cpu time spent up to now is 140.8 secs Computing kpt #: 50 total cpu time spent up to now is 143.2 secs Computing kpt #: 51 total cpu time spent up to now is 145.8 secs Computing kpt #: 52 total cpu time spent up to now is 148.4 secs Computing kpt #: 53 total cpu time spent up to now is 151.1 secs Computing kpt #: 54 total cpu time spent up to now is 155.4 secs Computing kpt #: 55 total cpu time spent up to now is 158.0 secs Computing kpt #: 56 total cpu time spent up to now is 160.5 secs Computing kpt #: 57 total cpu time spent up to now is 162.7 secs Computing kpt #: 58 total cpu time spent up to now is 165.0 secs Computing kpt #: 59 total cpu time spent up to now is 167.5 secs Computing kpt #: 60 total cpu time spent up to now is 171.6 secs Computing kpt #: 61 total cpu time spent up to now is 174.3 secs Computing kpt #: 62 total cpu time spent up to now is 176.8 secs Computing kpt #: 63 total cpu time spent up to now is 179.6 secs Computing kpt #: 64 total cpu time spent up to now is 182.4 secs Computing kpt #: 65 total cpu time spent up to now is 186.4 secs Computing kpt #: 66 total cpu time spent up to now is 189.9 secs Computing kpt #: 67 total cpu time spent up to now is 192.4 secs Computing kpt #: 68 total cpu time spent up to now is 194.7 secs Computing kpt #: 69 total cpu time spent up to now is 196.9 secs Computing kpt #: 70 total cpu time spent up to now is 199.1 secs Computing kpt #: 71 total cpu time spent up to now is 201.6 secs Computing kpt #: 72 total cpu time spent up to now is 203.9 secs Computing kpt #: 73 total cpu time spent up to now is 206.4 secs Computing kpt #: 74 total cpu time spent up to now is 208.6 secs Computing kpt #: 75 total cpu time spent up to now is 211.2 secs Computing kpt #: 76 total cpu time spent up to now is 213.3 secs Computing kpt #: 77 total cpu time spent up to now is 215.7 secs Computing kpt #: 78 total cpu time spent up to now is 218.0 secs Computing kpt #: 79 total cpu time spent up to now is 220.2 secs Computing kpt #: 80 total cpu time spent up to now is 222.7 secs Computing kpt #: 81 total cpu time spent up to now is 225.1 secs Computing kpt #: 82 total cpu time spent up to now is 227.2 secs Computing kpt #: 83 total cpu time spent up to now is 229.5 secs Computing kpt #: 84 total cpu time spent up to now is 231.9 secs Computing kpt #: 85 total cpu time spent up to now is 234.3 secs Computing kpt #: 86 total cpu time spent up to now is 236.9 secs Computing kpt #: 87 total cpu time spent up to now is 239.8 secs Computing kpt #: 88 total cpu time spent up to now is 243.6 secs Computing kpt #: 89 total cpu time spent up to now is 246.2 secs Computing kpt #: 90 total cpu time spent up to now is 248.4 secs Computing kpt #: 91 total cpu time spent up to now is 250.7 secs Computing kpt #: 92 total cpu time spent up to now is 253.0 secs Computing kpt #: 93 total cpu time spent up to now is 257.2 secs Computing kpt #: 94 total cpu time spent up to now is 260.9 secs Computing kpt #: 95 total cpu time spent up to now is 263.5 secs Computing kpt #: 96 total cpu time spent up to now is 266.2 secs Computing kpt #: 97 total cpu time spent up to now is 269.0 secs Computing kpt #: 98 total cpu time spent up to now is 271.4 secs Computing kpt #: 99 total cpu time spent up to now is 273.7 secs Computing kpt #: 100 total cpu time spent up to now is 276.3 secs Computing kpt #: 101 total cpu time spent up to now is 280.2 secs Computing kpt #: 102 total cpu time spent up to now is 283.5 secs Computing kpt #: 103 total cpu time spent up to now is 286.3 secs Computing kpt #: 104 total cpu time spent up to now is 288.8 secs Computing kpt #: 105 total cpu time spent up to now is 292.0 secs Computing kpt #: 106 total cpu time spent up to now is 294.4 secs Computing kpt #: 107 total cpu time spent up to now is 296.8 secs Computing kpt #: 108 total cpu time spent up to now is 299.3 secs Computing kpt #: 109 total cpu time spent up to now is 300.7 secs Computing kpt #: 110 total cpu time spent up to now is 302.2 secs Computing kpt #: 111 total cpu time spent up to now is 304.6 secs Computing kpt #: 112 total cpu time spent up to now is 307.1 secs Computing kpt #: 113 total cpu time spent up to now is 309.4 secs Computing kpt #: 114 total cpu time spent up to now is 311.9 secs Computing kpt #: 115 total cpu time spent up to now is 314.3 secs Computing kpt #: 116 total cpu time spent up to now is 316.7 secs Computing kpt #: 117 total cpu time spent up to now is 319.3 secs Computing kpt #: 118 total cpu time spent up to now is 321.4 secs Computing kpt #: 119 total cpu time spent up to now is 323.8 secs Computing kpt #: 120 total cpu time spent up to now is 328.0 secs Computing kpt #: 121 total cpu time spent up to now is 331.4 secs Computing kpt #: 122 total cpu time spent up to now is 333.6 secs Computing kpt #: 123 total cpu time spent up to now is 335.7 secs Computing kpt #: 124 total cpu time spent up to now is 338.0 secs Computing kpt #: 125 total cpu time spent up to now is 340.3 secs Computing kpt #: 126 total cpu time spent up to now is 342.8 secs Computing kpt #: 127 total cpu time spent up to now is 345.2 secs Computing kpt #: 128 total cpu time spent up to now is 347.5 secs Computing kpt #: 129 total cpu time spent up to now is 349.8 secs Computing kpt #: 130 total cpu time spent up to now is 352.2 secs Computing kpt #: 131 total cpu time spent up to now is 354.7 secs Computing kpt #: 132 total cpu time spent up to now is 357.4 secs Computing kpt #: 133 total cpu time spent up to now is 359.6 secs Computing kpt #: 134 total cpu time spent up to now is 361.8 secs Computing kpt #: 135 total cpu time spent up to now is 364.3 secs Computing kpt #: 136 total cpu time spent up to now is 366.7 secs Computing kpt #: 137 total cpu time spent up to now is 369.5 secs Computing kpt #: 138 total cpu time spent up to now is 371.7 secs Computing kpt #: 139 total cpu time spent up to now is 373.8 secs Computing kpt #: 140 total cpu time spent up to now is 376.2 secs Computing kpt #: 141 total cpu time spent up to now is 379.5 secs Computing kpt #: 142 total cpu time spent up to now is 383.2 secs Computing kpt #: 143 total cpu time spent up to now is 385.8 secs Computing kpt #: 144 total cpu time spent up to now is 388.3 secs Computing kpt #: 145 total cpu time spent up to now is 390.8 secs Computing kpt #: 146 total cpu time spent up to now is 393.2 secs Computing kpt #: 147 total cpu time spent up to now is 396.1 secs Computing kpt #: 148 total cpu time spent up to now is 400.3 secs Computing kpt #: 149 total cpu time spent up to now is 403.2 secs Computing kpt #: 150 total cpu time spent up to now is 407.7 secs Computing kpt #: 151 total cpu time spent up to now is 411.0 secs Computing kpt #: 152 total cpu time spent up to now is 413.4 secs Computing kpt #: 153 total cpu time spent up to now is 416.1 secs Computing kpt #: 154 total cpu time spent up to now is 418.3 secs Computing kpt #: 155 total cpu time spent up to now is 420.7 secs Computing kpt #: 156 total cpu time spent up to now is 423.3 secs Computing kpt #: 157 total cpu time spent up to now is 425.7 secs Computing kpt #: 158 total cpu time spent up to now is 428.2 secs Computing kpt #: 159 total cpu time spent up to now is 430.5 secs Computing kpt #: 160 total cpu time spent up to now is 433.1 secs Computing kpt #: 161 total cpu time spent up to now is 435.8 secs Computing kpt #: 162 total cpu time spent up to now is 438.4 secs Computing kpt #: 163 total cpu time spent up to now is 440.9 secs Computing kpt #: 164 total cpu time spent up to now is 443.7 secs Computing kpt #: 165 total cpu time spent up to now is 446.8 secs Computing kpt #: 166 total cpu time spent up to now is 449.5 secs Computing kpt #: 167 total cpu time spent up to now is 452.1 secs Computing kpt #: 168 total cpu time spent up to now is 454.9 secs Computing kpt #: 169 total cpu time spent up to now is 457.4 secs Computing kpt #: 170 total cpu time spent up to now is 459.9 secs Computing kpt #: 171 total cpu time spent up to now is 462.2 secs Computing kpt #: 172 total cpu time spent up to now is 464.7 secs Computing kpt #: 173 total cpu time spent up to now is 467.0 secs Computing kpt #: 174 total cpu time spent up to now is 471.0 secs Computing kpt #: 175 total cpu time spent up to now is 473.2 secs Computing kpt #: 176 total cpu time spent up to now is 475.3 secs Computing kpt #: 177 total cpu time spent up to now is 477.6 secs Computing kpt #: 178 total cpu time spent up to now is 481.8 secs Computing kpt #: 179 total cpu time spent up to now is 485.2 secs Computing kpt #: 180 total cpu time spent up to now is 487.6 secs Computing kpt #: 181 total cpu time spent up to now is 489.6 secs Computing kpt #: 182 total cpu time spent up to now is 491.5 secs Computing kpt #: 183 total cpu time spent up to now is 493.7 secs Computing kpt #: 184 total cpu time spent up to now is 495.9 secs Computing kpt #: 185 total cpu time spent up to now is 498.1 secs Computing kpt #: 186 total cpu time spent up to now is 500.1 secs Computing kpt #: 187 total cpu time spent up to now is 502.4 secs Computing kpt #: 188 total cpu time spent up to now is 504.9 secs Computing kpt #: 189 total cpu time spent up to now is 507.3 secs Computing kpt #: 190 total cpu time spent up to now is 510.9 secs Computing kpt #: 191 total cpu time spent up to now is 513.8 secs Computing kpt #: 192 total cpu time spent up to now is 516.7 secs Computing kpt #: 193 total cpu time spent up to now is 520.5 secs Computing kpt #: 194 total cpu time spent up to now is 523.0 secs Computing kpt #: 195 total cpu time spent up to now is 525.3 secs Computing kpt #: 196 total cpu time spent up to now is 527.9 secs Computing kpt #: 197 total cpu time spent up to now is 530.4 secs Computing kpt #: 198 total cpu time spent up to now is 533.1 secs Computing kpt #: 199 total cpu time spent up to now is 535.7 secs Computing kpt #: 200 total cpu time spent up to now is 538.2 secs Computing kpt #: 201 total cpu time spent up to now is 541.1 secs Computing kpt #: 202 total cpu time spent up to now is 543.8 secs Computing kpt #: 203 total cpu time spent up to now is 546.1 secs Computing kpt #: 204 total cpu time spent up to now is 548.8 secs Computing kpt #: 205 total cpu time spent up to now is 552.3 secs Computing kpt #: 206 total cpu time spent up to now is 556.0 secs Computing kpt #: 207 total cpu time spent up to now is 558.6 secs Computing kpt #: 208 total cpu time spent up to now is 561.1 secs Computing kpt #: 209 total cpu time spent up to now is 563.4 secs Computing kpt #: 210 total cpu time spent up to now is 565.8 secs Computing kpt #: 211 total cpu time spent up to now is 568.6 secs Computing kpt #: 212 total cpu time spent up to now is 571.3 secs Computing kpt #: 213 total cpu time spent up to now is 573.7 secs Computing kpt #: 214 total cpu time spent up to now is 576.2 secs Computing kpt #: 215 total cpu time spent up to now is 578.5 secs Computing kpt #: 216 total cpu time spent up to now is 580.7 secs Computing kpt #: 217 total cpu time spent up to now is 583.0 secs Computing kpt #: 218 total cpu time spent up to now is 585.2 secs Computing kpt #: 219 total cpu time spent up to now is 587.5 secs ethr = 1.72E-08, avg # of iterations = 17.3 total cpu time spent up to now is 587.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8657 PWs) bands (ev): -16.0397 -16.0397 -13.6849 -13.6849 -13.6722 -13.6722 -13.6722 -13.6722 -13.2152 -13.2152 -13.2152 -13.2152 -11.8101 -11.8101 -11.7104 -11.7104 -11.2259 -11.2259 -4.9794 -4.9794 -4.8400 -4.8400 -4.8400 -4.8400 -2.5043 -2.5043 -2.5043 -2.5043 -2.4606 -2.4606 -1.4108 -1.4108 -1.4108 -1.4108 -1.1782 -1.1782 -1.0757 -1.0757 -1.0757 -1.0757 -0.9520 -0.9520 -0.8621 -0.8621 -0.8621 -0.8621 -0.7984 -0.7984 -0.1784 -0.1784 -0.1110 -0.1110 -0.1110 -0.1110 0.1626 0.1626 0.1732 0.1732 0.1732 0.1732 0.2014 0.2014 0.2510 0.2510 0.2510 0.2510 2.9689 2.9689 3.2420 3.2420 k = 0.0156-0.0090 0.0128 ( 8713 PWs) bands (ev): -16.0396 -16.0396 -13.6849 -13.6849 -13.6723 -13.6723 -13.6722 -13.6722 -13.2156 -13.2156 -13.2152 -13.2152 -11.8098 -11.8098 -11.7104 -11.7104 -11.2257 -11.2257 -4.9792 -4.9792 -4.8398 -4.8398 -4.8397 -4.8397 -2.5036 -2.5036 -2.5033 -2.5033 -2.4597 -2.4597 -1.4141 -1.4141 -1.4108 -1.4108 -1.1790 -1.1790 -1.0797 -1.0797 -1.0758 -1.0758 -0.9445 -0.9445 -0.8626 -0.8626 -0.8626 -0.8626 -0.7988 -0.7988 -0.1793 -0.1793 -0.1124 -0.1124 -0.1114 -0.1114 0.1621 0.1621 0.1725 0.1725 0.1727 0.1727 0.2009 0.2009 0.2502 0.2502 0.2508 0.2508 2.9696 2.9696 3.2427 3.2427 k = 0.0312-0.0180 0.0255 ( 8713 PWs) bands (ev): -16.0393 -16.0393 -13.6851 -13.6851 -13.6726 -13.6726 -13.6723 -13.6723 -13.2168 -13.2168 -13.2151 -13.2151 -11.8088 -11.8088 -11.7105 -11.7105 -11.2250 -11.2250 -4.9785 -4.9785 -4.8391 -4.8391 -4.8389 -4.8389 -2.5014 -2.5014 -2.5000 -2.5000 -2.4569 -2.4569 -1.4240 -1.4240 -1.4108 -1.4108 -1.1816 -1.1816 -1.0893 -1.0893 -1.0761 -1.0761 -0.9244 -0.9244 -0.8638 -0.8638 -0.8638 -0.8638 -0.8001 -0.8001 -0.1819 -0.1819 -0.1165 -0.1165 -0.1126 -0.1126 0.1606 0.1606 0.1709 0.1709 0.1715 0.1715 0.1996 0.1996 0.2477 0.2477 0.2500 0.2500 2.9718 2.9718 3.2446 3.2446 k = 0.0469-0.0271 0.0383 ( 8709 PWs) bands (ev): -16.0387 -16.0387 -13.6855 -13.6855 -13.6731 -13.6731 -13.6724 -13.6724 -13.2187 -13.2187 -13.2151 -13.2151 -11.8073 -11.8073 -11.7106 -11.7106 -11.2237 -11.2237 -4.9774 -4.9774 -4.8380 -4.8380 -4.8375 -4.8375 -2.4979 -2.4979 -2.4945 -2.4945 -2.4522 -2.4522 -1.4398 -1.4398 -1.4110 -1.4110 -1.1859 -1.1859 -1.1005 -1.1005 -1.0767 -1.0767 -0.8963 -0.8963 -0.8659 -0.8659 -0.8658 -0.8658 -0.8022 -0.8022 -0.1866 -0.1866 -0.1233 -0.1233 -0.1145 -0.1145 0.1579 0.1579 0.1685 0.1685 0.1695 0.1695 0.1972 0.1972 0.2438 0.2438 0.2487 0.2487 2.9754 2.9754 3.2478 3.2478 k = 0.0625-0.0361 0.0510 ( 8701 PWs) bands (ev): -16.0379 -16.0379 -13.6860 -13.6860 -13.6738 -13.6738 -13.6726 -13.6726 -13.2215 -13.2215 -13.2150 -13.2150 -11.8052 -11.8052 -11.7108 -11.7108 -11.2221 -11.2221 -4.9758 -4.9758 -4.8365 -4.8365 -4.8355 -4.8355 -2.4931 -2.4931 -2.4869 -2.4869 -2.4455 -2.4455 -1.4609 -1.4609 -1.4111 -1.4111 -1.1922 -1.1922 -1.1111 -1.1111 -1.0776 -1.0776 -0.8695 -0.8695 -0.8687 -0.8687 -0.8619 -0.8619 -0.8051 -0.8051 -0.1934 -0.1934 -0.1328 -0.1328 -0.1167 -0.1167 0.1535 0.1535 0.1658 0.1658 0.1669 0.1669 0.1935 0.1935 0.2387 0.2387 0.2468 0.2468 2.9803 2.9803 3.2521 3.2521 k = 0.0781-0.0451 0.0638 ( 8705 PWs) bands (ev): -16.0369 -16.0369 -13.6867 -13.6867 -13.6747 -13.6747 -13.6728 -13.6728 -13.2249 -13.2249 -13.2148 -13.2148 -11.8025 -11.8025 -11.7110 -11.7110 -11.2199 -11.2199 -4.9738 -4.9738 -4.8345 -4.8345 -4.8330 -4.8330 -2.4871 -2.4871 -2.4772 -2.4772 -2.4368 -2.4368 -1.4864 -1.4864 -1.4113 -1.4113 -1.2003 -1.2003 -1.1203 -1.1203 -1.0789 -1.0789 -0.8723 -0.8723 -0.8722 -0.8722 -0.8255 -0.8255 -0.8086 -0.8086 -0.2027 -0.2027 -0.1451 -0.1451 -0.1190 -0.1190 0.1472 0.1472 0.1632 0.1632 0.1637 0.1637 0.1882 0.1882 0.2327 0.2327 0.2444 0.2444 2.9866 2.9866 3.2577 3.2577 k = 0.0938-0.0541 0.0765 ( 8717 PWs) bands (ev): -16.0357 -16.0357 -13.6875 -13.6875 -13.6756 -13.6756 -13.6731 -13.6731 -13.2291 -13.2291 -13.2147 -13.2147 -11.7993 -11.7993 -11.7112 -11.7112 -11.2173 -11.2173 -4.9714 -4.9714 -4.8321 -4.8321 -4.8299 -4.8299 -2.4800 -2.4800 -2.4653 -2.4653 -2.4260 -2.4260 -1.5156 -1.5156 -1.4115 -1.4115 -1.2100 -1.2100 -1.1282 -1.1282 -1.0807 -1.0807 -0.8764 -0.8764 -0.8759 -0.8759 -0.8126 -0.8126 -0.7860 -0.7860 -0.2146 -0.2146 -0.1601 -0.1601 -0.1213 -0.1213 0.1392 0.1392 0.1598 0.1598 0.1607 0.1607 0.1810 0.1810 0.2265 0.2265 0.2415 0.2415 2.9941 2.9941 3.2643 3.2643 k = 0.1094-0.0631 0.0893 ( 8709 PWs) bands (ev): -16.0343 -16.0343 -13.6886 -13.6886 -13.6766 -13.6766 -13.6734 -13.6734 -13.2340 -13.2340 -13.2145 -13.2145 -11.7956 -11.7956 -11.7115 -11.7115 -11.2142 -11.2142 -4.9685 -4.9685 -4.8294 -4.8294 -4.8263 -4.8263 -2.4720 -2.4720 -2.4514 -2.4514 -2.4130 -2.4130 -1.5478 -1.5478 -1.4118 -1.4118 -1.2208 -1.2208 -1.1352 -1.1352 -1.0831 -1.0831 -0.8810 -0.8810 -0.8800 -0.8800 -0.8171 -0.8171 -0.7446 -0.7446 -0.2293 -0.2293 -0.1778 -0.1778 -0.1234 -0.1234 0.1296 0.1296 0.1550 0.1550 0.1583 0.1583 0.1721 0.1721 0.2203 0.2203 0.2380 0.2380 3.0027 3.0027 3.2719 3.2719 k = 0.1250-0.0722 0.1021 ( 8741 PWs) bands (ev): -16.0327 -16.0327 -13.6898 -13.6898 -13.6776 -13.6776 -13.6737 -13.6737 -13.2396 -13.2396 -13.2143 -13.2143 -11.7915 -11.7915 -11.7118 -11.7118 -11.2107 -11.2107 -4.9653 -4.9653 -4.8263 -4.8263 -4.8221 -4.8221 -2.4632 -2.4632 -2.4354 -2.4354 -2.3978 -2.3978 -1.5824 -1.5824 -1.4121 -1.4121 -1.2323 -1.2323 -1.1419 -1.1419 -1.0864 -1.0864 -0.8861 -0.8861 -0.8841 -0.8841 -0.8218 -0.8218 -0.7017 -0.7017 -0.2467 -0.2467 -0.1981 -0.1981 -0.1253 -0.1253 0.1185 0.1185 0.1480 0.1480 0.1559 0.1559 0.1628 0.1628 0.2143 0.2143 0.2340 0.2340 3.0123 3.0123 3.2804 3.2804 k = 0.1406-0.0812 0.1148 ( 8724 PWs) bands (ev): -16.0310 -16.0310 -13.6912 -13.6912 -13.6785 -13.6785 -13.6741 -13.6741 -13.2457 -13.2457 -13.2141 -13.2141 -11.7871 -11.7871 -11.7122 -11.7122 -11.2068 -11.2068 -4.9617 -4.9617 -4.8229 -4.8229 -4.8174 -4.8174 -2.4536 -2.4536 -2.4174 -2.4174 -2.3805 -2.3805 -1.6191 -1.6191 -1.4124 -1.4124 -1.2442 -1.2442 -1.1487 -1.1487 -1.0906 -1.0906 -0.8914 -0.8914 -0.8881 -0.8881 -0.8266 -0.8266 -0.6579 -0.6579 -0.2666 -0.2666 -0.2210 -0.2210 -0.1268 -0.1268 0.1061 0.1061 0.1367 0.1367 0.1536 0.1536 0.1553 0.1553 0.2087 0.2087 0.2296 0.2296 3.0229 3.0229 3.2898 3.2898 k = 0.1562-0.0902 0.1276 ( 8724 PWs) bands (ev): -16.0291 -16.0291 -13.6928 -13.6928 -13.6794 -13.6794 -13.6745 -13.6745 -13.2525 -13.2525 -13.2139 -13.2139 -11.7824 -11.7824 -11.7126 -11.7126 -11.2025 -11.2025 -4.9578 -4.9578 -4.8191 -4.8191 -4.8122 -4.8122 -2.4433 -2.4433 -2.3975 -2.3975 -2.3610 -2.3610 -1.6575 -1.6575 -1.4127 -1.4127 -1.2561 -1.2561 -1.1559 -1.1559 -1.0959 -1.0959 -0.8969 -0.8969 -0.8919 -0.8919 -0.8314 -0.8314 -0.6135 -0.6135 -0.2889 -0.2889 -0.2462 -0.2462 -0.1282 -0.1282 0.0926 0.0926 0.1213 0.1213 0.1499 0.1499 0.1513 0.1513 0.2032 0.2032 0.2248 0.2248 3.0342 3.0342 3.2998 3.2998 k = 0.1719-0.0992 0.1403 ( 8732 PWs) bands (ev): -16.0271 -16.0271 -13.6945 -13.6945 -13.6803 -13.6803 -13.6750 -13.6750 -13.2598 -13.2598 -13.2136 -13.2136 -11.7774 -11.7774 -11.7130 -11.7130 -11.1979 -11.1979 -4.9535 -4.9535 -4.8151 -4.8151 -4.8065 -4.8065 -2.4324 -2.4324 -2.3756 -2.3756 -2.3395 -2.3395 -1.6972 -1.6972 -1.4131 -1.4131 -1.2678 -1.2678 -1.1637 -1.1637 -1.1024 -1.1024 -0.9023 -0.9023 -0.8952 -0.8952 -0.8360 -0.8360 -0.5692 -0.5692 -0.3132 -0.3132 -0.2737 -0.2737 -0.1294 -0.1294 0.0780 0.0780 0.1033 0.1033 0.1452 0.1452 0.1490 0.1490 0.1978 0.1978 0.2196 0.2196 3.0462 3.0462 3.3105 3.3105 k = 0.1875-0.1083 0.1531 ( 8744 PWs) bands (ev): -16.0250 -16.0250 -13.6963 -13.6963 -13.6811 -13.6811 -13.6754 -13.6754 -13.2675 -13.2675 -13.2133 -13.2133 -11.7723 -11.7723 -11.7135 -11.7135 -11.1929 -11.1929 -4.9489 -4.9489 -4.8109 -4.8109 -4.8004 -4.8004 -2.4210 -2.4210 -2.3520 -2.3520 -2.3160 -2.3160 -1.7381 -1.7381 -1.4135 -1.4135 -1.2790 -1.2790 -1.1725 -1.1725 -1.1103 -1.1103 -0.9078 -0.9078 -0.8978 -0.8978 -0.8401 -0.8401 -0.5258 -0.5258 -0.3385 -0.3385 -0.3033 -0.3033 -0.1303 -0.1303 0.0625 0.0625 0.0835 0.0835 0.1406 0.1406 0.1466 0.1466 0.1927 0.1927 0.2141 0.2141 3.0588 3.0588 3.3216 3.3216 k = 0.2031-0.1173 0.1659 ( 8748 PWs) bands (ev): -16.0227 -16.0227 -13.6981 -13.6981 -13.6819 -13.6819 -13.6759 -13.6759 -13.2756 -13.2756 -13.2131 -13.2131 -11.7671 -11.7671 -11.7139 -11.7139 -11.1876 -11.1876 -4.9442 -4.9442 -4.8064 -4.8064 -4.7938 -4.7938 -2.4090 -2.4090 -2.3266 -2.3266 -2.2905 -2.2905 -1.7797 -1.7797 -1.4139 -1.4139 -1.2896 -1.2896 -1.1822 -1.1822 -1.1196 -1.1196 -0.9133 -0.9133 -0.8999 -0.8999 -0.8438 -0.8438 -0.4857 -0.4857 -0.3628 -0.3628 -0.3347 -0.3347 -0.1312 -0.1312 0.0462 0.0462 0.0624 0.0624 0.1360 0.1360 0.1441 0.1441 0.1876 0.1876 0.2084 0.2084 3.0717 3.0717 3.3331 3.3331 k = 0.2188-0.1263 0.1786 ( 8724 PWs) bands (ev): -16.0204 -16.0204 -13.6999 -13.6999 -13.6826 -13.6826 -13.6764 -13.6764 -13.2841 -13.2841 -13.2128 -13.2128 -11.7618 -11.7618 -11.7144 -11.7144 -11.1821 -11.1821 -4.9392 -4.9392 -4.8018 -4.8018 -4.7867 -4.7867 -2.3967 -2.3967 -2.2996 -2.2996 -2.2632 -2.2632 -1.8218 -1.8218 -1.4143 -1.4143 -1.2995 -1.2995 -1.1929 -1.1929 -1.1302 -1.1302 -0.9187 -0.9187 -0.9011 -0.9011 -0.8467 -0.8467 -0.4578 -0.4578 -0.3770 -0.3770 -0.3678 -0.3678 -0.1318 -0.1318 0.0293 0.0293 0.0404 0.0404 0.1312 0.1312 0.1414 0.1414 0.1829 0.1829 0.2028 0.2028 3.0849 3.0849 3.3448 3.3448 k = 0.2344-0.1353 0.1914 ( 8712 PWs) bands (ev): -16.0181 -16.0181 -13.7017 -13.7017 -13.6833 -13.6833 -13.6769 -13.6769 -13.2929 -13.2929 -13.2125 -13.2125 -11.7565 -11.7565 -11.7149 -11.7149 -11.1764 -11.1764 -4.9340 -4.9340 -4.7971 -4.7971 -4.7793 -4.7793 -2.3840 -2.3840 -2.2711 -2.2711 -2.2342 -2.2342 -1.8642 -1.8642 -1.4147 -1.4147 -1.3085 -1.3085 -1.2046 -1.2046 -1.1422 -1.1422 -0.9242 -0.9242 -0.9016 -0.9016 -0.8489 -0.8489 -0.4615 -0.4615 -0.4023 -0.4023 -0.3618 -0.3618 -0.1323 -0.1323 0.0120 0.0120 0.0177 0.0177 0.1262 0.1262 0.1384 0.1384 0.1784 0.1784 0.1972 0.1972 3.0983 3.0983 3.3566 3.3566 k = 0.2500-0.1443 0.2041 ( 8740 PWs) bands (ev): -16.0157 -16.0157 -13.7033 -13.7033 -13.6839 -13.6839 -13.6775 -13.6775 -13.3019 -13.3019 -13.2122 -13.2122 -11.7513 -11.7513 -11.7154 -11.7154 -11.1706 -11.1706 -4.9287 -4.9287 -4.7924 -4.7924 -4.7716 -4.7716 -2.3711 -2.3711 -2.2413 -2.2413 -2.2035 -2.2035 -1.9063 -1.9063 -1.4152 -1.4152 -1.3167 -1.3167 -1.2174 -1.2174 -1.1554 -1.1554 -0.9297 -0.9297 -0.9015 -0.9015 -0.8502 -0.8502 -0.4871 -0.4871 -0.4380 -0.4380 -0.3271 -0.3271 -0.1326 -0.1326 -0.0057 -0.0057 -0.0055 -0.0055 0.1208 0.1208 0.1350 0.1350 0.1742 0.1742 0.1918 0.1918 3.1116 3.1116 3.3685 3.3685 k = 0.2656-0.1534 0.2169 ( 8704 PWs) bands (ev): -16.0134 -16.0134 -13.7048 -13.7048 -13.6846 -13.6846 -13.6780 -13.6780 -13.3110 -13.3110 -13.2119 -13.2119 -11.7463 -11.7463 -11.7158 -11.7158 -11.1647 -11.1647 -4.9234 -4.9234 -4.7876 -4.7876 -4.7636 -4.7636 -2.3580 -2.3580 -2.2105 -2.2105 -2.1713 -2.1713 -1.9476 -1.9476 -1.4156 -1.4156 -1.3240 -1.3240 -1.2309 -1.2309 -1.1698 -1.1698 -0.9353 -0.9353 -0.9007 -0.9007 -0.8508 -0.8508 -0.5192 -0.5192 -0.4745 -0.4745 -0.2882 -0.2882 -0.1325 -0.1325 -0.0287 -0.0287 -0.0235 -0.0235 0.1152 0.1152 0.1313 0.1313 0.1705 0.1705 0.1867 0.1867 3.1248 3.1248 3.3802 3.3802 k = 0.2812-0.1624 0.2296 ( 8716 PWs) bands (ev): -16.0110 -16.0110 -13.7061 -13.7061 -13.6852 -13.6852 -13.6785 -13.6785 -13.3202 -13.3202 -13.2116 -13.2116 -11.7413 -11.7413 -11.7163 -11.7163 -11.1587 -11.1587 -4.9181 -4.9181 -4.7828 -4.7828 -4.7554 -4.7554 -2.3450 -2.3450 -2.1795 -2.1795 -2.1376 -2.1376 -1.9873 -1.9873 -1.4160 -1.4160 -1.3304 -1.3304 -1.2453 -1.2453 -1.1853 -1.1853 -0.9410 -0.9410 -0.8993 -0.8993 -0.8506 -0.8506 -0.5536 -0.5536 -0.5116 -0.5116 -0.2496 -0.2496 -0.1319 -0.1319 -0.0519 -0.0519 -0.0414 -0.0414 0.1092 0.1092 0.1271 0.1271 0.1672 0.1672 0.1821 0.1821 3.1377 3.1377 3.3917 3.3917 k = 0.2969-0.1714 0.2424 ( 8692 PWs) bands (ev): -16.0087 -16.0087 -13.7073 -13.7073 -13.6857 -13.6857 -13.6790 -13.6790 -13.3293 -13.3293 -13.2113 -13.2113 -11.7366 -11.7366 -11.7168 -11.7168 -11.1528 -11.1528 -4.9128 -4.9128 -4.7781 -4.7781 -4.7471 -4.7471 -2.3321 -2.3321 -2.1501 -2.1501 -2.1027 -2.1027 -2.0232 -2.0232 -1.4164 -1.4164 -1.3362 -1.3362 -1.2602 -1.2602 -1.2017 -1.2017 -0.9466 -0.9466 -0.8976 -0.8976 -0.8500 -0.8500 -0.5891 -0.5891 -0.5488 -0.5488 -0.2132 -0.2132 -0.1302 -0.1302 -0.0745 -0.0745 -0.0590 -0.0590 0.1031 0.1031 0.1225 0.1225 0.1642 0.1642 0.1780 0.1780 3.1502 3.1502 3.4029 3.4029 k = 0.3125-0.1804 0.2552 ( 8704 PWs) bands (ev): -16.0064 -16.0064 -13.7082 -13.7082 -13.6863 -13.6863 -13.6795 -13.6795 -13.3383 -13.3383 -13.2110 -13.2110 -11.7321 -11.7321 -11.7172 -11.7172 -11.1470 -11.1470 -4.9077 -4.9077 -4.7735 -4.7735 -4.7387 -4.7387 -2.3193 -2.3193 -2.1301 -2.1301 -2.0666 -2.0666 -2.0474 -2.0474 -1.4168 -1.4168 -1.3414 -1.3414 -1.2756 -1.2756 -1.2191 -1.2191 -0.9522 -0.9522 -0.8956 -0.8956 -0.8490 -0.8490 -0.6248 -0.6248 -0.5857 -0.5857 -0.1818 -0.1818 -0.1256 -0.1256 -0.0959 -0.0959 -0.0763 -0.0763 0.0969 0.0969 0.1175 0.1175 0.1616 0.1616 0.1744 0.1744 3.1623 3.1623 3.4137 3.4137 k = 0.3281-0.1894 0.2679 ( 8720 PWs) bands (ev): -16.0043 -16.0043 -13.7090 -13.7090 -13.6868 -13.6868 -13.6799 -13.6799 -13.3470 -13.3470 -13.2107 -13.2107 -11.7279 -11.7279 -11.7177 -11.7177 -11.1414 -11.1414 -4.9027 -4.9027 -4.7690 -4.7690 -4.7304 -4.7304 -2.3070 -2.3070 -2.1371 -2.1371 -2.0422 -2.0422 -2.0295 -2.0295 -1.4172 -1.4172 -1.3466 -1.3466 -1.2910 -1.2910 -1.2374 -1.2374 -0.9576 -0.9576 -0.8936 -0.8936 -0.8479 -0.8479 -0.6601 -0.6601 -0.6218 -0.6218 -0.1614 -0.1614 -0.1226 -0.1226 -0.1060 -0.1060 -0.0930 -0.0930 0.0907 0.0907 0.1122 0.1122 0.1594 0.1594 0.1714 0.1714 3.1738 3.1738 3.4239 3.4239 k = 0.3438-0.1985 0.2807 ( 8716 PWs) bands (ev): -16.0022 -16.0022 -13.7096 -13.7096 -13.6872 -13.6872 -13.6804 -13.6804 -13.3555 -13.3555 -13.2105 -13.2105 -11.7240 -11.7240 -11.7181 -11.7181 -11.1360 -11.1360 -4.8979 -4.8979 -4.7648 -4.7648 -4.7222 -4.7222 -2.2951 -2.2951 -2.1636 -2.1636 -2.0147 -2.0147 -1.9916 -1.9916 -1.4176 -1.4176 -1.3524 -1.3524 -1.3058 -1.3058 -1.2565 -1.2565 -0.9629 -0.9629 -0.8918 -0.8918 -0.8470 -0.8470 -0.6945 -0.6945 -0.6566 -0.6566 -0.1554 -0.1554 -0.1372 -0.1372 -0.1091 -0.1091 -0.0851 -0.0851 0.0847 0.0847 0.1068 0.1068 0.1574 0.1574 0.1688 0.1688 3.1845 3.1845 3.4335 3.4335 k = 0.3594-0.2075 0.2934 ( 8704 PWs) bands (ev): -16.0003 -16.0003 -13.7100 -13.7100 -13.6876 -13.6876 -13.6808 -13.6808 -13.3636 -13.3636 -13.2102 -13.2102 -11.7204 -11.7204 -11.7185 -11.7185 -11.1308 -11.1308 -4.8934 -4.8934 -4.7608 -4.7608 -4.7143 -4.7143 -2.2839 -2.2839 -2.1941 -2.1941 -1.9805 -1.9805 -1.9531 -1.9531 -1.4179 -1.4179 -1.3603 -1.3603 -1.3186 -1.3186 -1.2765 -1.2765 -0.9678 -0.9678 -0.8905 -0.8905 -0.8468 -0.8468 -0.7271 -0.7271 -0.6891 -0.6891 -0.1651 -0.1651 -0.1432 -0.1432 -0.1242 -0.1242 -0.0585 -0.0585 0.0791 0.0791 0.1014 0.1014 0.1557 0.1557 0.1667 0.1667 3.1945 3.1945 3.4425 3.4425 k = 0.3750-0.2165 0.3062 ( 8732 PWs) bands (ev): -15.9985 -15.9985 -13.7102 -13.7102 -13.6880 -13.6880 -13.6812 -13.6812 -13.3711 -13.3711 -13.2100 -13.2100 -11.7189 -11.7189 -11.7171 -11.7171 -11.1261 -11.1261 -4.8892 -4.8892 -4.7571 -4.7571 -4.7067 -4.7067 -2.2734 -2.2734 -2.2239 -2.2239 -1.9442 -1.9442 -1.9143 -1.9143 -1.4182 -1.4182 -1.3720 -1.3720 -1.3279 -1.3279 -1.2974 -1.2974 -0.9724 -0.9724 -0.8902 -0.8902 -0.8479 -0.8479 -0.7572 -0.7572 -0.7186 -0.7186 -0.1815 -0.1815 -0.1435 -0.1435 -0.1383 -0.1383 -0.0325 -0.0325 0.0740 0.0740 0.0961 0.0961 0.1543 0.1543 0.1649 0.1649 3.2036 3.2036 3.4507 3.4507 k = 0.3906-0.2255 0.3189 ( 8728 PWs) bands (ev): -15.9969 -15.9969 -13.7103 -13.7103 -13.6883 -13.6883 -13.6815 -13.6815 -13.3781 -13.3781 -13.2098 -13.2098 -11.7192 -11.7192 -11.7142 -11.7142 -11.1217 -11.1217 -4.8854 -4.8854 -4.7538 -4.7538 -4.6997 -4.6997 -2.2638 -2.2638 -2.2516 -2.2516 -1.9070 -1.9070 -1.8754 -1.8754 -1.4185 -1.4185 -1.3877 -1.3877 -1.3336 -1.3336 -1.3192 -1.3192 -0.9766 -0.9766 -0.8916 -0.8916 -0.8512 -0.8512 -0.7835 -0.7835 -0.7436 -0.7436 -0.1975 -0.1975 -0.1512 -0.1512 -0.1434 -0.1434 -0.0088 -0.0088 0.0697 0.0697 0.0911 0.0911 0.1530 0.1530 0.1635 0.1635 3.2119 3.2119 3.4581 3.4581 k = 0.4062-0.2345 0.3317 ( 8740 PWs) bands (ev): -15.9955 -15.9955 -13.7103 -13.7103 -13.6886 -13.6886 -13.6818 -13.6818 -13.3843 -13.3843 -13.2097 -13.2097 -11.7195 -11.7195 -11.7117 -11.7117 -11.1178 -11.1178 -4.8820 -4.8820 -4.7508 -4.7508 -4.6933 -4.6933 -2.2765 -2.2765 -2.2552 -2.2552 -1.8700 -1.8700 -1.8371 -1.8371 -1.4189 -1.4189 -1.4063 -1.4063 -1.3418 -1.3418 -1.3367 -1.3367 -0.9803 -0.9803 -0.8955 -0.8955 -0.8575 -0.8575 -0.8049 -0.8049 -0.7629 -0.7629 -0.2121 -0.2121 -0.1627 -0.1627 -0.1433 -0.1433 0.0114 0.0114 0.0667 0.0667 0.0865 0.0865 0.1520 0.1520 0.1623 0.1623 3.2191 3.2191 3.4646 3.4646 k = 0.4219-0.2436 0.3445 ( 8732 PWs) bands (ev): -15.9943 -15.9943 -13.7103 -13.7103 -13.6888 -13.6888 -13.6821 -13.6821 -13.3898 -13.3898 -13.2095 -13.2095 -11.7197 -11.7197 -11.7095 -11.7095 -11.1144 -11.1144 -4.8791 -4.8791 -4.7482 -4.7482 -4.6876 -4.6876 -2.2982 -2.2982 -2.2477 -2.2477 -1.8338 -1.8338 -1.7997 -1.7997 -1.4268 -1.4268 -1.4192 -1.4192 -1.3650 -1.3650 -1.3384 -1.3384 -0.9835 -0.9835 -0.9024 -0.9024 -0.8669 -0.8669 -0.8202 -0.8202 -0.7760 -0.7760 -0.2249 -0.2249 -0.1727 -0.1727 -0.1433 -0.1433 0.0267 0.0267 0.0662 0.0662 0.0824 0.0824 0.1511 0.1511 0.1613 0.1613 3.2253 3.2253 3.4702 3.4702 k = 0.4375-0.2526 0.3572 ( 8740 PWs) bands (ev): -15.9932 -15.9932 -13.7102 -13.7102 -13.6890 -13.6890 -13.6823 -13.6823 -13.3944 -13.3944 -13.2094 -13.2094 -11.7199 -11.7199 -11.7077 -11.7077 -11.1116 -11.1116 -4.8766 -4.8766 -4.7461 -4.7461 -4.6828 -4.6828 -2.3164 -2.3164 -2.2414 -2.2414 -1.7993 -1.7993 -1.7641 -1.7641 -1.4481 -1.4481 -1.4197 -1.4197 -1.3882 -1.3882 -1.3394 -1.3394 -0.9862 -0.9862 -0.9118 -0.9118 -0.8781 -0.8781 -0.8298 -0.8298 -0.7839 -0.7839 -0.2356 -0.2356 -0.1810 -0.1810 -0.1433 -0.1433 0.0358 0.0358 0.0694 0.0694 0.0790 0.0790 0.1505 0.1505 0.1605 0.1605 3.2304 3.2304 3.4748 3.4748 k = 0.4531-0.2616 0.3700 ( 8740 PWs) bands (ev): -15.9924 -15.9924 -13.7100 -13.7100 -13.6892 -13.6892 -13.6825 -13.6825 -13.3980 -13.3980 -13.2093 -13.2093 -11.7201 -11.7201 -11.7063 -11.7063 -11.1094 -11.1094 -4.8747 -4.8747 -4.7443 -4.7443 -4.6789 -4.6789 -2.3308 -2.3308 -2.2364 -2.2364 -1.7677 -1.7677 -1.7317 -1.7317 -1.4690 -1.4690 -1.4216 -1.4216 -1.4092 -1.4092 -1.3399 -1.3399 -0.9882 -0.9882 -0.9216 -0.9216 -0.8891 -0.8891 -0.8351 -0.8351 -0.7882 -0.7882 -0.2441 -0.2441 -0.1876 -0.1876 -0.1433 -0.1433 0.0392 0.0392 0.0757 0.0757 0.0762 0.0762 0.1499 0.1499 0.1600 0.1600 3.2345 3.2345 3.4784 3.4784 k = 0.4688-0.2706 0.3827 ( 8736 PWs) bands (ev): -15.9918 -15.9918 -13.7099 -13.7099 -13.6893 -13.6893 -13.6826 -13.6826 -13.4007 -13.4007 -13.2092 -13.2092 -11.7202 -11.7202 -11.7053 -11.7053 -11.1078 -11.1078 -4.8733 -4.8733 -4.7431 -4.7431 -4.6761 -4.6761 -2.3412 -2.3412 -2.2328 -2.2328 -1.7412 -1.7412 -1.7045 -1.7045 -1.4879 -1.4879 -1.4336 -1.4336 -1.4174 -1.4174 -1.3401 -1.3401 -0.9897 -0.9897 -0.9299 -0.9299 -0.8979 -0.8979 -0.8378 -0.8378 -0.7904 -0.7904 -0.2503 -0.2503 -0.1924 -0.1924 -0.1433 -0.1433 0.0399 0.0399 0.0742 0.0742 0.0819 0.0819 0.1495 0.1495 0.1595 0.1595 3.2374 3.2374 3.4810 3.4810 k = 0.4844-0.2797 0.3955 ( 8736 PWs) bands (ev): -15.9915 -15.9915 -13.7099 -13.7099 -13.6893 -13.6893 -13.6827 -13.6827 -13.4023 -13.4023 -13.2092 -13.2092 -11.7203 -11.7203 -11.7047 -11.7047 -11.1068 -11.1068 -4.8725 -4.8725 -4.7424 -4.7424 -4.6744 -4.6744 -2.3475 -2.3475 -2.2306 -2.2306 -1.7227 -1.7227 -1.6857 -1.6857 -1.5017 -1.5017 -1.4473 -1.4473 -1.4183 -1.4183 -1.3402 -1.3402 -0.9906 -0.9906 -0.9354 -0.9354 -0.9037 -0.9037 -0.8391 -0.8391 -0.7914 -0.7914 -0.2540 -0.2540 -0.1953 -0.1953 -0.1434 -0.1434 0.0398 0.0398 0.0730 0.0730 0.0862 0.0862 0.1493 0.1493 0.1593 0.1593 3.2391 3.2391 3.4826 3.4826 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -15.9914 -15.9914 -13.7098 -13.7098 -13.6893 -13.6893 -13.6827 -13.6827 -13.4029 -13.4029 -13.2091 -13.2091 -11.7203 -11.7203 -11.7045 -11.7045 -11.1065 -11.1065 -4.8722 -4.8722 -4.7421 -4.7421 -4.6738 -4.6738 -2.3497 -2.3497 -2.2299 -2.2299 -1.7159 -1.7159 -1.6788 -1.6788 -1.5069 -1.5069 -1.4526 -1.4526 -1.4184 -1.4184 -1.3402 -1.3402 -0.9909 -0.9909 -0.9373 -0.9373 -0.9056 -0.9056 -0.8394 -0.8394 -0.7917 -0.7917 -0.2552 -0.2552 -0.1963 -0.1963 -0.1434 -0.1434 0.0397 0.0397 0.0725 0.0725 0.0877 0.0877 0.1492 0.1492 0.1592 0.1592 3.2397 3.2397 3.4832 3.4832 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -15.9914 -15.9914 -13.7098 -13.7098 -13.6893 -13.6893 -13.6827 -13.6827 -13.4029 -13.4029 -13.2091 -13.2091 -11.7203 -11.7203 -11.7045 -11.7045 -11.1065 -11.1065 -4.8722 -4.8722 -4.7421 -4.7421 -4.6738 -4.6738 -2.3497 -2.3497 -2.2299 -2.2299 -1.7159 -1.7159 -1.6788 -1.6788 -1.5069 -1.5069 -1.4526 -1.4526 -1.4184 -1.4184 -1.3402 -1.3402 -0.9909 -0.9909 -0.9373 -0.9373 -0.9056 -0.9056 -0.8394 -0.8394 -0.7917 -0.7917 -0.2552 -0.2552 -0.1963 -0.1963 -0.1434 -0.1434 0.0397 0.0397 0.0725 0.0725 0.0877 0.0877 0.1492 0.1492 0.1592 0.1592 3.2397 3.2397 3.4832 3.4832 k = 0.5000-0.2706 0.4210 ( 8728 PWs) bands (ev): -15.9914 -15.9914 -13.7098 -13.7098 -13.6895 -13.6895 -13.6829 -13.6829 -13.4023 -13.4023 -13.2094 -13.2094 -11.7203 -11.7203 -11.7046 -11.7046 -11.1065 -11.1065 -4.8722 -4.8722 -4.7421 -4.7421 -4.6740 -4.6740 -2.3481 -2.3481 -2.2291 -2.2291 -1.7172 -1.7172 -1.6801 -1.6801 -1.5090 -1.5090 -1.4582 -1.4582 -1.4109 -1.4109 -1.3389 -1.3389 -0.9968 -0.9968 -0.9336 -0.9336 -0.9018 -0.9018 -0.8407 -0.8407 -0.7929 -0.7929 -0.2539 -0.2539 -0.1956 -0.1956 -0.1447 -0.1447 0.0396 0.0396 0.0724 0.0724 0.0872 0.0872 0.1493 0.1493 0.1594 0.1594 3.2397 3.2397 3.4832 3.4832 k = 0.5000-0.2526 0.4338 ( 8710 PWs) bands (ev): -15.9913 -15.9913 -13.7097 -13.7097 -13.6900 -13.6900 -13.6834 -13.6834 -13.4005 -13.4005 -13.2103 -13.2103 -11.7201 -11.7201 -11.7047 -11.7047 -11.1065 -11.1065 -4.8723 -4.8723 -4.7421 -4.7421 -4.6745 -4.6745 -2.3434 -2.3434 -2.2266 -2.2266 -1.7215 -1.7215 -1.6834 -1.6834 -1.5166 -1.5166 -1.4664 -1.4664 -1.3958 -1.3958 -1.3352 -1.3352 -1.0094 -1.0094 -0.9290 -0.9290 -0.8892 -0.8892 -0.8446 -0.8446 -0.7962 -0.7962 -0.2501 -0.2501 -0.1935 -0.1935 -0.1489 -0.1489 0.0393 0.0393 0.0721 0.0721 0.0860 0.0860 0.1493 0.1493 0.1599 0.1599 3.2397 3.2397 3.4832 3.4832 k = 0.5000-0.2345 0.4465 ( 8714 PWs) bands (ev): -15.9913 -15.9913 -13.7096 -13.7096 -13.6908 -13.6908 -13.6841 -13.6841 -13.3976 -13.3976 -13.2118 -13.2118 -11.7200 -11.7200 -11.7049 -11.7049 -11.1066 -11.1066 -4.8725 -4.8725 -4.7421 -4.7421 -4.6754 -4.6754 -2.3357 -2.3357 -2.2225 -2.2225 -1.7299 -1.7299 -1.6871 -1.6871 -1.5304 -1.5304 -1.4707 -1.4707 -1.3788 -1.3788 -1.3297 -1.3297 -1.0232 -1.0232 -0.9275 -0.9275 -0.8695 -0.8695 -0.8511 -0.8511 -0.8010 -0.8010 -0.2441 -0.2441 -0.1900 -0.1900 -0.1556 -0.1556 0.0387 0.0387 0.0717 0.0717 0.0842 0.0842 0.1493 0.1493 0.1608 0.1608 3.2397 3.2397 3.4834 3.4834 k = 0.5000-0.2165 0.4593 ( 8722 PWs) bands (ev): -15.9913 -15.9913 -13.7094 -13.7094 -13.6919 -13.6919 -13.6849 -13.6849 -13.3937 -13.3937 -13.2138 -13.2138 -11.7197 -11.7197 -11.7051 -11.7051 -11.1067 -11.1067 -4.8728 -4.8728 -4.7420 -4.7420 -4.6766 -4.6766 -2.3250 -2.3250 -2.2168 -2.2168 -1.7429 -1.7429 -1.6901 -1.6901 -1.5491 -1.5491 -1.4710 -1.4710 -1.3613 -1.3613 -1.3231 -1.3231 -1.0356 -1.0356 -0.9280 -0.9280 -0.8609 -0.8609 -0.8474 -0.8474 -0.8049 -0.8049 -0.2365 -0.2365 -0.1854 -0.1854 -0.1646 -0.1646 0.0375 0.0375 0.0710 0.0710 0.0821 0.0821 0.1491 0.1491 0.1618 0.1618 3.2397 3.2397 3.4837 3.4837 k = 0.5000-0.1985 0.4720 ( 8718 PWs) bands (ev): -15.9913 -15.9913 -13.7092 -13.7092 -13.6934 -13.6934 -13.6857 -13.6857 -13.3889 -13.3889 -13.2164 -13.2164 -11.7194 -11.7194 -11.7054 -11.7054 -11.1068 -11.1068 -4.8732 -4.8732 -4.7419 -4.7419 -4.6782 -4.6782 -2.3116 -2.3116 -2.2095 -2.2095 -1.7601 -1.7601 -1.6919 -1.6919 -1.5708 -1.5708 -1.4688 -1.4688 -1.3440 -1.3440 -1.3162 -1.3162 -1.0457 -1.0457 -0.9296 -0.9296 -0.8731 -0.8731 -0.8340 -0.8340 -0.7990 -0.7990 -0.2279 -0.2279 -0.1808 -0.1808 -0.1743 -0.1743 0.0354 0.0354 0.0699 0.0699 0.0805 0.0805 0.1487 0.1487 0.1631 0.1631 3.2395 3.2395 3.4842 3.4842 k = 0.5000-0.1804 0.4848 ( 8720 PWs) bands (ev): -15.9913 -15.9913 -13.7091 -13.7091 -13.6952 -13.6952 -13.6866 -13.6866 -13.3833 -13.3833 -13.2195 -13.2195 -11.7189 -11.7189 -11.7058 -11.7058 -11.1069 -11.1069 -4.8736 -4.8736 -4.7417 -4.7417 -4.6799 -4.6799 -2.2957 -2.2957 -2.2006 -2.2006 -1.7803 -1.7803 -1.6932 -1.6932 -1.5943 -1.5943 -1.4649 -1.4649 -1.3286 -1.3286 -1.3083 -1.3083 -1.0527 -1.0527 -0.9317 -0.9317 -0.8879 -0.8879 -0.8364 -0.8364 -0.7764 -0.7764 -0.2205 -0.2205 -0.1884 -0.1884 -0.1711 -0.1711 0.0324 0.0324 0.0680 0.0680 0.0801 0.0801 0.1479 0.1479 0.1644 0.1644 3.2393 3.2393 3.4850 3.4850 k = 0.5000-0.1624 0.4976 ( 8728 PWs) bands (ev): -15.9912 -15.9912 -13.7090 -13.7090 -13.6969 -13.6969 -13.6874 -13.6874 -13.3770 -13.3770 -13.2231 -13.2231 -11.7185 -11.7185 -11.7063 -11.7063 -11.1071 -11.1071 -4.8741 -4.8741 -4.7414 -4.7414 -4.6819 -4.6819 -2.2776 -2.2776 -2.1901 -2.1901 -1.8028 -1.8028 -1.6942 -1.6942 -1.6188 -1.6188 -1.4598 -1.4598 -1.3190 -1.3190 -1.2962 -1.2962 -1.0563 -1.0563 -0.9345 -0.9345 -0.9048 -0.9048 -0.8446 -0.8446 -0.7473 -0.7473 -0.2216 -0.2216 -0.1930 -0.1930 -0.1632 -0.1632 0.0282 0.0282 0.0652 0.0652 0.0812 0.0812 0.1467 0.1467 0.1657 0.1657 3.2390 3.2390 3.4861 3.4861 k = 0.5000-0.1443 0.5103 ( 8738 PWs) bands (ev): -15.9912 -15.9912 -13.7092 -13.7092 -13.6985 -13.6985 -13.6882 -13.6882 -13.3703 -13.3703 -13.2271 -13.2271 -11.7180 -11.7180 -11.7068 -11.7068 -11.1072 -11.1072 -4.8746 -4.8746 -4.7410 -4.7410 -4.6840 -4.6840 -2.2575 -2.2575 -2.1782 -2.1782 -1.8268 -1.8268 -1.6955 -1.6955 -1.6436 -1.6436 -1.4536 -1.4536 -1.3161 -1.3161 -1.2793 -1.2793 -1.0564 -1.0564 -0.9386 -0.9386 -0.9225 -0.9225 -0.8546 -0.8546 -0.7159 -0.7159 -0.2358 -0.2358 -0.1869 -0.1869 -0.1541 -0.1541 0.0229 0.0229 0.0620 0.0620 0.0834 0.0834 0.1451 0.1451 0.1670 0.1670 3.2386 3.2386 3.4876 3.4876 k = 0.5000-0.1263 0.5231 ( 8722 PWs) bands (ev): -15.9912 -15.9912 -13.7097 -13.7097 -13.6997 -13.6997 -13.6890 -13.6890 -13.3633 -13.3633 -13.2315 -13.2315 -11.7174 -11.7174 -11.7074 -11.7074 -11.1073 -11.1073 -4.8752 -4.8752 -4.7404 -4.7404 -4.6863 -4.6863 -2.2361 -2.2361 -2.1647 -2.1647 -1.8517 -1.8517 -1.6990 -1.6990 -1.6665 -1.6665 -1.4467 -1.4467 -1.3172 -1.3172 -1.2604 -1.2604 -1.0532 -1.0532 -0.9496 -0.9496 -0.9346 -0.9346 -0.8656 -0.8656 -0.6835 -0.6835 -0.2556 -0.2556 -0.1776 -0.1776 -0.1443 -0.1443 0.0164 0.0164 0.0588 0.0588 0.0865 0.0865 0.1431 0.1431 0.1681 0.1681 3.2381 3.2381 3.4895 3.4895 k = 0.5000-0.1083 0.5358 ( 8714 PWs) bands (ev): -15.9911 -15.9911 -13.7106 -13.7106 -13.7004 -13.7004 -13.6898 -13.6898 -13.3562 -13.3562 -13.2362 -13.2362 -11.7167 -11.7167 -11.7080 -11.7080 -11.1075 -11.1075 -4.8758 -4.8758 -4.7397 -4.7397 -4.6885 -4.6885 -2.2138 -2.2138 -2.1498 -2.1498 -1.8771 -1.8771 -1.7104 -1.7104 -1.6814 -1.6814 -1.4390 -1.4390 -1.3213 -1.3213 -1.2405 -1.2405 -1.0469 -1.0469 -0.9692 -0.9692 -0.9390 -0.9390 -0.8775 -0.8775 -0.6503 -0.6503 -0.2782 -0.2782 -0.1680 -0.1680 -0.1338 -0.1338 0.0090 0.0090 0.0557 0.0557 0.0902 0.0902 0.1406 0.1406 0.1690 0.1690 3.2375 3.2375 3.4917 3.4917 k = 0.5000-0.0902 0.5486 ( 8706 PWs) bands (ev): -15.9911 -15.9911 -13.7117 -13.7117 -13.7006 -13.7006 -13.6907 -13.6907 -13.3492 -13.3492 -13.2409 -13.2409 -11.7161 -11.7161 -11.7086 -11.7086 -11.1076 -11.1076 -4.8763 -4.8763 -4.7390 -4.7390 -4.6907 -4.6907 -2.1915 -2.1915 -2.1335 -2.1335 -1.9027 -1.9027 -1.7310 -1.7310 -1.6863 -1.6863 -1.4307 -1.4307 -1.3274 -1.3274 -1.2200 -1.2200 -1.0384 -1.0384 -0.9910 -0.9910 -0.9418 -0.9418 -0.8899 -0.8899 -0.6167 -0.6167 -0.3029 -0.3029 -0.1592 -0.1592 -0.1230 -0.1230 0.0009 0.0009 0.0530 0.0530 0.0944 0.0944 0.1377 0.1377 0.1698 0.1698 3.2369 3.2369 3.4941 3.4941 k = 0.5000-0.0722 0.5613 ( 8714 PWs) bands (ev): -15.9911 -15.9911 -13.7130 -13.7130 -13.7005 -13.7005 -13.6914 -13.6914 -13.3426 -13.3426 -13.2456 -13.2456 -11.7154 -11.7154 -11.7093 -11.7093 -11.1077 -11.1077 -4.8768 -4.8768 -4.7382 -4.7382 -4.6927 -4.6927 -2.1700 -2.1700 -2.1158 -2.1158 -1.9281 -1.9281 -1.7536 -1.7536 -1.6877 -1.6877 -1.4220 -1.4220 -1.3349 -1.3349 -1.1990 -1.1990 -1.0289 -1.0289 -1.0128 -1.0128 -0.9440 -0.9440 -0.9026 -0.9026 -0.5831 -0.5831 -0.3292 -0.3292 -0.1515 -0.1515 -0.1122 -0.1122 -0.0078 -0.0078 0.0507 0.0507 0.0988 0.0988 0.1344 0.1344 0.1705 0.1705 3.2363 3.2363 3.4967 3.4967 k = 0.5000-0.0541 0.5741 ( 8710 PWs) bands (ev): -15.9911 -15.9911 -13.7141 -13.7141 -13.7001 -13.7001 -13.6922 -13.6922 -13.3367 -13.3367 -13.2500 -13.2500 -11.7146 -11.7146 -11.7101 -11.7101 -11.1078 -11.1078 -4.8772 -4.8772 -4.7374 -4.7374 -4.6944 -4.6944 -2.1507 -2.1507 -2.0968 -2.0968 -1.9530 -1.9530 -1.7745 -1.7745 -1.6882 -1.6882 -1.4130 -1.4130 -1.3434 -1.3434 -1.1777 -1.1777 -1.0376 -1.0376 -1.0155 -1.0155 -0.9459 -0.9459 -0.9153 -0.9153 -0.5496 -0.5496 -0.3571 -0.3571 -0.1452 -0.1452 -0.1016 -0.1016 -0.0167 -0.0167 0.0488 0.0488 0.1035 0.1035 0.1307 0.1307 0.1710 0.1710 3.2357 3.2357 3.4991 3.4991 k = 0.5000-0.0361 0.5869 ( 8722 PWs) bands (ev): -15.9910 -15.9910 -13.7149 -13.7149 -13.6998 -13.6998 -13.6928 -13.6928 -13.3319 -13.3319 -13.2536 -13.2536 -11.7139 -11.7139 -11.7108 -11.7108 -11.1079 -11.1079 -4.8776 -4.8776 -4.7368 -4.7368 -4.6958 -4.6958 -2.1351 -2.1351 -2.0771 -2.0771 -1.9770 -1.9770 -1.7915 -1.7915 -1.6884 -1.6884 -1.4043 -1.4043 -1.3519 -1.3519 -1.1562 -1.1562 -1.0598 -1.0598 -1.0046 -1.0046 -0.9475 -0.9475 -0.9271 -0.9271 -0.5167 -0.5167 -0.3860 -0.3860 -0.1406 -0.1406 -0.0919 -0.0919 -0.0252 -0.0252 0.0474 0.0474 0.1082 0.1082 0.1267 0.1267 0.1713 0.1713 3.2353 3.2353 3.5011 3.5011 k = 0.5000-0.0180 0.5996 ( 8732 PWs) bands (ev): -15.9910 -15.9910 -13.7155 -13.7155 -13.6995 -13.6995 -13.6932 -13.6932 -13.3288 -13.3288 -13.2560 -13.2560 -11.7131 -11.7131 -11.7116 -11.7116 -11.1079 -11.1079 -4.8778 -4.8778 -4.7364 -4.7364 -4.6966 -4.6966 -2.1248 -2.1248 -2.0578 -2.0578 -1.9986 -1.9986 -1.8028 -1.8028 -1.6884 -1.6884 -1.3969 -1.3969 -1.3593 -1.3593 -1.1357 -1.1357 -1.0810 -1.0810 -0.9952 -0.9952 -0.9492 -0.9492 -0.9361 -0.9361 -0.4851 -0.4851 -0.4151 -0.4151 -0.1377 -0.1377 -0.0844 -0.0844 -0.0319 -0.0319 0.0466 0.0466 0.1129 0.1129 0.1224 0.1224 0.1715 0.1715 3.2350 3.2350 3.5025 3.5025 k = 0.5000-0.0000 0.6124 ( 8728 PWs) bands (ev): -15.9910 -15.9910 -13.7156 -13.7156 -13.6994 -13.6994 -13.6934 -13.6934 -13.3277 -13.3277 -13.2569 -13.2569 -11.7124 -11.7124 -11.7123 -11.7123 -11.1079 -11.1079 -4.8778 -4.8778 -4.7362 -4.7362 -4.6969 -4.6969 -2.1212 -2.1212 -2.0468 -2.0468 -2.0105 -2.0105 -1.8068 -1.8068 -1.6884 -1.6884 -1.3936 -1.3936 -1.3626 -1.3626 -1.1232 -1.1232 -1.0937 -1.0937 -0.9911 -0.9911 -0.9504 -0.9504 -0.9394 -0.9394 -0.4639 -0.4639 -0.4355 -0.4355 -0.1368 -0.1368 -0.0814 -0.0814 -0.0346 -0.0346 0.0463 0.0463 0.1166 0.1166 0.1189 0.1189 0.1715 0.1715 3.2349 3.2349 3.5030 3.5030 k = 0.5000-0.0000 0.6124 ( 8728 PWs) bands (ev): -15.9910 -15.9910 -13.7156 -13.7156 -13.6994 -13.6994 -13.6934 -13.6934 -13.3277 -13.3277 -13.2569 -13.2569 -11.7124 -11.7124 -11.7123 -11.7123 -11.1079 -11.1079 -4.8778 -4.8778 -4.7362 -4.7362 -4.6969 -4.6969 -2.1212 -2.1212 -2.0468 -2.0468 -2.0105 -2.0105 -1.8068 -1.8068 -1.6884 -1.6884 -1.3936 -1.3936 -1.3626 -1.3626 -1.1232 -1.1232 -1.0937 -1.0937 -0.9911 -0.9911 -0.9504 -0.9504 -0.9394 -0.9394 -0.4639 -0.4639 -0.4355 -0.4355 -0.1368 -0.1368 -0.0814 -0.0814 -0.0346 -0.0346 0.0463 0.0463 0.1166 0.1166 0.1189 0.1189 0.1715 0.1715 3.2349 3.2349 3.5030 3.5030 k = 0.4896 0.0180 0.6124 ( 8736 PWs) bands (ev): -15.9910 -15.9910 -13.7166 -13.7166 -13.6992 -13.6992 -13.6924 -13.6924 -13.3281 -13.3281 -13.2566 -13.2566 -11.7129 -11.7129 -11.7118 -11.7118 -11.1080 -11.1080 -4.8784 -4.8784 -4.7366 -4.7366 -4.6961 -4.6961 -2.1229 -2.1229 -2.0519 -2.0519 -2.0046 -2.0046 -1.8052 -1.8052 -1.6904 -1.6904 -1.3943 -1.3943 -1.3597 -1.3597 -1.1301 -1.1301 -1.0909 -1.0909 -0.9916 -0.9916 -0.9488 -0.9488 -0.9356 -0.9356 -0.4754 -0.4754 -0.4243 -0.4243 -0.1373 -0.1373 -0.0825 -0.0825 -0.0332 -0.0332 0.0458 0.0458 0.1144 0.1144 0.1218 0.1218 0.1712 0.1712 3.2334 3.2334 3.5022 3.5022 k = 0.4792 0.0361 0.6124 ( 8722 PWs) bands (ev): -15.9911 -15.9911 -13.7189 -13.7189 -13.6992 -13.6992 -13.6896 -13.6896 -13.3292 -13.3292 -13.2556 -13.2556 -11.7135 -11.7135 -11.7113 -11.7113 -11.1081 -11.1081 -4.8801 -4.8801 -4.7373 -4.7373 -4.6938 -4.6938 -2.1280 -2.1280 -2.0614 -2.0614 -1.9926 -1.9926 -1.8011 -1.8011 -1.6959 -1.6959 -1.3959 -1.3959 -1.3515 -1.3515 -1.1426 -1.1426 -1.0896 -1.0896 -0.9955 -0.9955 -0.9453 -0.9453 -0.9220 -0.9220 -0.4948 -0.4948 -0.4059 -0.4059 -0.1388 -0.1388 -0.0853 -0.0853 -0.0293 -0.0293 0.0441 0.0441 0.1111 0.1111 0.1269 0.1269 0.1703 0.1703 3.2290 3.2290 3.5008 3.5008 k = 0.4688 0.0541 0.6124 ( 8724 PWs) bands (ev): -15.9912 -15.9912 -13.7218 -13.7218 -13.6995 -13.6995 -13.6857 -13.6857 -13.3309 -13.3309 -13.2542 -13.2542 -11.7142 -11.7142 -11.7109 -11.7109 -11.1084 -11.1084 -4.8827 -4.8827 -4.7381 -4.7381 -4.6905 -4.6905 -2.1363 -2.1363 -2.0702 -2.0702 -1.9788 -1.9788 -1.7952 -1.7952 -1.7042 -1.7042 -1.3973 -1.3973 -1.3395 -1.3395 -1.1564 -1.1564 -1.0916 -1.0916 -1.0028 -1.0028 -0.9408 -0.9408 -0.9006 -0.9006 -0.5153 -0.5153 -0.3871 -0.3871 -0.1411 -0.1411 -0.0890 -0.0890 -0.0238 -0.0238 0.0413 0.0413 0.1076 0.1076 0.1328 0.1328 0.1691 0.1691 3.2221 3.2221 3.4997 3.4997 k = 0.4583 0.0722 0.6124 ( 8714 PWs) bands (ev): -15.9913 -15.9913 -13.7248 -13.7248 -13.6999 -13.6999 -13.6813 -13.6813 -13.3331 -13.3331 -13.2524 -13.2524 -11.7148 -11.7148 -11.7104 -11.7104 -11.1087 -11.1087 -4.8861 -4.8861 -4.7386 -4.7386 -4.6868 -4.6868 -2.1469 -2.1469 -2.0775 -2.0775 -1.9644 -1.9644 -1.7884 -1.7884 -1.7147 -1.7147 -1.3975 -1.3975 -1.3254 -1.3254 -1.1704 -1.1704 -1.0956 -1.0956 -1.0121 -1.0121 -0.9352 -0.9352 -0.8758 -0.8758 -0.5357 -0.5357 -0.3692 -0.3692 -0.1440 -0.1440 -0.0932 -0.0932 -0.0173 -0.0173 0.0378 0.0378 0.1039 0.1039 0.1387 0.1387 0.1683 0.1683 3.2131 3.2131 3.4992 3.4992 k = 0.4479 0.0902 0.6124 ( 8716 PWs) bands (ev): -15.9915 -15.9915 -13.7277 -13.7277 -13.7004 -13.7004 -13.6769 -13.6769 -13.3355 -13.3355 -13.2505 -13.2505 -11.7155 -11.7155 -11.7100 -11.7100 -11.1090 -11.1090 -4.8900 -4.8900 -4.7389 -4.7389 -4.6828 -4.6828 -2.1585 -2.1585 -2.0834 -2.0834 -1.9498 -1.9498 -1.7817 -1.7817 -1.7264 -1.7264 -1.3961 -1.3961 -1.3101 -1.3101 -1.1845 -1.1845 -1.1003 -1.1003 -1.0225 -1.0225 -0.9286 -0.9286 -0.8503 -0.8503 -0.5556 -0.5556 -0.3525 -0.3525 -0.1472 -0.1472 -0.0973 -0.0973 -0.0104 -0.0104 0.0338 0.0338 0.1000 0.1000 0.1435 0.1435 0.1685 0.1685 3.2028 3.2028 3.4994 3.4994 k = 0.4375 0.1083 0.6124 ( 8717 PWs) bands (ev): -15.9916 -15.9916 -13.7303 -13.7303 -13.7008 -13.7008 -13.6727 -13.6727 -13.3380 -13.3380 -13.2485 -13.2485 -11.7161 -11.7161 -11.7096 -11.7096 -11.1093 -11.1093 -4.8941 -4.8941 -4.7389 -4.7389 -4.6789 -4.6789 -2.1700 -2.1700 -2.0883 -2.0883 -1.9352 -1.9352 -1.7762 -1.7762 -1.7384 -1.7384 -1.3928 -1.3928 -1.2945 -1.2945 -1.1984 -1.1984 -1.1051 -1.1051 -1.0336 -1.0336 -0.9212 -0.9212 -0.8259 -0.8259 -0.5747 -0.5747 -0.3374 -0.3374 -0.1506 -0.1506 -0.1011 -0.1011 -0.0035 -0.0035 0.0297 0.0297 0.0961 0.0961 0.1460 0.1460 0.1705 0.1705 3.1921 3.1921 3.5002 3.5002 k = 0.4271 0.1263 0.6124 ( 8702 PWs) bands (ev): -15.9917 -15.9917 -13.7326 -13.7326 -13.7011 -13.7011 -13.6689 -13.6689 -13.3404 -13.3404 -13.2467 -13.2467 -11.7166 -11.7166 -11.7093 -11.7093 -11.1096 -11.1096 -4.8980 -4.8980 -4.7387 -4.7387 -4.6752 -4.6752 -2.1806 -2.1806 -2.0924 -2.0924 -1.9206 -1.9206 -1.7741 -1.7741 -1.7483 -1.7483 -1.3879 -1.3879 -1.2796 -1.2796 -1.2114 -1.2114 -1.1094 -1.1094 -1.0448 -1.0448 -0.9134 -0.9134 -0.8037 -0.8037 -0.5923 -0.5923 -0.3241 -0.3241 -0.1540 -0.1540 -0.1046 -0.1046 0.0030 0.0030 0.0258 0.0258 0.0922 0.0922 0.1464 0.1464 0.1742 0.1742 3.1816 3.1816 3.5012 3.5012 k = 0.4167 0.1443 0.6124 ( 8698 PWs) bands (ev): -15.9919 -15.9919 -13.7345 -13.7345 -13.7014 -13.7014 -13.6656 -13.6656 -13.3426 -13.3426 -13.2450 -13.2450 -11.7171 -11.7171 -11.7090 -11.7090 -11.1099 -11.1099 -4.9016 -4.9016 -4.7384 -4.7384 -4.6720 -4.6720 -2.1899 -2.1899 -2.0957 -2.0957 -1.9061 -1.9061 -1.7796 -1.7796 -1.7520 -1.7520 -1.3815 -1.3815 -1.2668 -1.2668 -1.2227 -1.2227 -1.1130 -1.1130 -1.0558 -1.0558 -0.9057 -0.9057 -0.7844 -0.7844 -0.6082 -0.6082 -0.3128 -0.3128 -0.1571 -0.1571 -0.1075 -0.1075 0.0083 0.0083 0.0230 0.0230 0.0883 0.0883 0.1456 0.1456 0.1785 0.1785 3.1721 3.1721 3.5024 3.5024 k = 0.4062 0.1624 0.6124 ( 8693 PWs) bands (ev): -15.9920 -15.9920 -13.7361 -13.7361 -13.7017 -13.7017 -13.6629 -13.6629 -13.3444 -13.3444 -13.2437 -13.2437 -11.7175 -11.7175 -11.7088 -11.7088 -11.1101 -11.1101 -4.9045 -4.9045 -4.7382 -4.7382 -4.6693 -4.6693 -2.1974 -2.1974 -2.0984 -2.0984 -1.8919 -1.8919 -1.7909 -1.7909 -1.7510 -1.7510 -1.3745 -1.3745 -1.2595 -1.2595 -1.2292 -1.2292 -1.1158 -1.1158 -1.0661 -1.0661 -0.8985 -0.8985 -0.7686 -0.7686 -0.6215 -0.6215 -0.3038 -0.3038 -0.1597 -0.1597 -0.1098 -0.1098 0.0112 0.0112 0.0226 0.0226 0.0847 0.0847 0.1444 0.1444 0.1824 0.1824 3.1642 3.1642 3.5035 3.5035 k = 0.3958 0.1804 0.6124 ( 8702 PWs) bands (ev): -15.9920 -15.9920 -13.7372 -13.7372 -13.7018 -13.7018 -13.6609 -13.6609 -13.3458 -13.3458 -13.2427 -13.2427 -11.7178 -11.7178 -11.7087 -11.7087 -11.1103 -11.1103 -4.9068 -4.9068 -4.7379 -4.7379 -4.6673 -4.6673 -2.2029 -2.2029 -2.1003 -2.1003 -1.8785 -1.8785 -1.8034 -1.8034 -1.7492 -1.7492 -1.3677 -1.3677 -1.2605 -1.2605 -1.2279 -1.2279 -1.1176 -1.1176 -1.0747 -1.0747 -0.8927 -0.8927 -0.7571 -0.7571 -0.6318 -0.6318 -0.2973 -0.2973 -0.1618 -0.1618 -0.1115 -0.1115 0.0111 0.0111 0.0247 0.0247 0.0817 0.0817 0.1433 0.1433 0.1855 0.1855 3.1582 3.1582 3.5044 3.5044 k = 0.3854 0.1985 0.6124 ( 8706 PWs) bands (ev): -15.9921 -15.9921 -13.7379 -13.7379 -13.7019 -13.7019 -13.6596 -13.6596 -13.3467 -13.3467 -13.2421 -13.2421 -11.7180 -11.7180 -11.7086 -11.7086 -11.1104 -11.1104 -4.9082 -4.9082 -4.7378 -4.7378 -4.6661 -4.6661 -2.2063 -2.2063 -2.1014 -2.1014 -1.8673 -1.8673 -1.8144 -1.8144 -1.7479 -1.7479 -1.3626 -1.3626 -1.2648 -1.2648 -1.2239 -1.2239 -1.1185 -1.1185 -1.0807 -1.0807 -0.8889 -0.8889 -0.7500 -0.7500 -0.6382 -0.6382 -0.2933 -0.2933 -0.1631 -0.1631 -0.1125 -0.1125 0.0103 0.0103 0.0270 0.0270 0.0796 0.0796 0.1425 0.1425 0.1875 0.1875 3.1545 3.1545 3.5049 3.5049 k = 0.3750 0.2165 0.6124 ( 8700 PWs) bands (ev): -15.9921 -15.9921 -13.7381 -13.7381 -13.7020 -13.7020 -13.6592 -13.6592 -13.3469 -13.3469 -13.2419 -13.2419 -11.7180 -11.7180 -11.7085 -11.7085 -11.1104 -11.1104 -4.9087 -4.9087 -4.7377 -4.7377 -4.6656 -4.6656 -2.2074 -2.2074 -2.1018 -2.1018 -1.8622 -1.8622 -1.8194 -1.8194 -1.7474 -1.7474 -1.3606 -1.3606 -1.2667 -1.2667 -1.2221 -1.2221 -1.1188 -1.1188 -1.0829 -1.0829 -0.8876 -0.8876 -0.7476 -0.7476 -0.6404 -0.6404 -0.2919 -0.2919 -0.1635 -0.1635 -0.1128 -0.1128 0.0099 0.0099 0.0279 0.0279 0.0788 0.0788 0.1423 0.1423 0.1881 0.1881 3.1532 3.1532 3.5051 3.5051 k = 0.3750 0.2165 0.6124 ( 8700 PWs) bands (ev): -15.9921 -15.9921 -13.7381 -13.7381 -13.7020 -13.7020 -13.6592 -13.6592 -13.3469 -13.3469 -13.2419 -13.2419 -11.7180 -11.7180 -11.7085 -11.7085 -11.1104 -11.1104 -4.9087 -4.9087 -4.7377 -4.7377 -4.6656 -4.6656 -2.2074 -2.2074 -2.1018 -2.1018 -1.8622 -1.8622 -1.8194 -1.8194 -1.7474 -1.7474 -1.3606 -1.3606 -1.2667 -1.2667 -1.2221 -1.2221 -1.1188 -1.1188 -1.0829 -1.0829 -0.8876 -0.8876 -0.7476 -0.7476 -0.6404 -0.6404 -0.2919 -0.2919 -0.1635 -0.1635 -0.1128 -0.1128 0.0099 0.0099 0.0279 0.0279 0.0788 0.0788 0.1423 0.1423 0.1881 0.1881 3.1532 3.1532 3.5051 3.5051 k = 0.3640 0.2101 0.5944 ( 8700 PWs) bands (ev): -15.9925 -15.9925 -13.7437 -13.7437 -13.7011 -13.7011 -13.6551 -13.6551 -13.3395 -13.3395 -13.2468 -13.2468 -11.7181 -11.7181 -11.7091 -11.7091 -11.1116 -11.1116 -4.9169 -4.9169 -4.7398 -4.7398 -4.6593 -4.6593 -2.1927 -2.1927 -2.0747 -2.0747 -1.8861 -1.8861 -1.8398 -1.8398 -1.7731 -1.7731 -1.3417 -1.3417 -1.2565 -1.2565 -1.2109 -1.2109 -1.1508 -1.1508 -1.0839 -1.0839 -0.8770 -0.8770 -0.7367 -0.7367 -0.6129 -0.6129 -0.3122 -0.3122 -0.1580 -0.1580 -0.0992 -0.0992 0.0030 0.0030 0.0232 0.0232 0.0814 0.0814 0.1381 0.1381 0.1918 0.1918 3.1333 3.1333 3.5015 3.5015 k = 0.3529 0.2038 0.5764 ( 8708 PWs) bands (ev): -15.9929 -15.9929 -13.7490 -13.7490 -13.7001 -13.7001 -13.6509 -13.6509 -13.3321 -13.3321 -13.2517 -13.2517 -11.7184 -11.7184 -11.7097 -11.7097 -11.1130 -11.1130 -4.9254 -4.9254 -4.7428 -4.7428 -4.6523 -4.6523 -2.1791 -2.1791 -2.0459 -2.0459 -1.9105 -1.9105 -1.8605 -1.8605 -1.7974 -1.7974 -1.3232 -1.3232 -1.2516 -1.2516 -1.2069 -1.2069 -1.1717 -1.1717 -1.0823 -1.0823 -0.8641 -0.8641 -0.7256 -0.7256 -0.5858 -0.5858 -0.3324 -0.3324 -0.1544 -0.1544 -0.0851 -0.0851 -0.0028 -0.0028 0.0193 0.0193 0.0841 0.0841 0.1323 0.1323 0.1954 0.1954 3.1127 3.1127 3.4957 3.4957 k = 0.3419 0.1974 0.5583 ( 8696 PWs) bands (ev): -15.9935 -15.9935 -13.7538 -13.7538 -13.6990 -13.6990 -13.6468 -13.6468 -13.3247 -13.3247 -13.2566 -13.2566 -11.7188 -11.7188 -11.7103 -11.7103 -11.1146 -11.1146 -4.9339 -4.9339 -4.7465 -4.7465 -4.6450 -4.6450 -2.1668 -2.1668 -2.0173 -2.0173 -1.9344 -1.9344 -1.8808 -1.8808 -1.8200 -1.8200 -1.3080 -1.3080 -1.2601 -1.2601 -1.2076 -1.2076 -1.1715 -1.1715 -1.0790 -1.0790 -0.8487 -0.8487 -0.7145 -0.7145 -0.5592 -0.5592 -0.3523 -0.3523 -0.1531 -0.1531 -0.0705 -0.0705 -0.0068 -0.0068 0.0161 0.0161 0.0871 0.0871 0.1250 0.1250 0.1989 0.1989 3.0920 3.0920 3.4882 3.4882 k = 0.3309 0.1910 0.5403 ( 8696 PWs) bands (ev): -15.9941 -15.9941 -13.7581 -13.7581 -13.6980 -13.6980 -13.6428 -13.6428 -13.3174 -13.3174 -13.2612 -13.2612 -11.7194 -11.7194 -11.7109 -11.7109 -11.1166 -11.1166 -4.9422 -4.9422 -4.7508 -4.7508 -4.6379 -4.6379 -2.1560 -2.1560 -1.9956 -1.9956 -1.9533 -1.9533 -1.8988 -1.8988 -1.8405 -1.8405 -1.3110 -1.3110 -1.2662 -1.2662 -1.2002 -1.2002 -1.1639 -1.1639 -1.0744 -1.0744 -0.8306 -0.8306 -0.7036 -0.7036 -0.5332 -0.5332 -0.3715 -0.3715 -0.1540 -0.1540 -0.0555 -0.0555 -0.0088 -0.0088 0.0135 0.0135 0.0901 0.0901 0.1161 0.1161 0.2023 0.2023 3.0716 3.0716 3.4793 3.4793 k = 0.3199 0.1847 0.5223 ( 8696 PWs) bands (ev): -15.9950 -15.9950 -13.7619 -13.7619 -13.6968 -13.6968 -13.6390 -13.6390 -13.3104 -13.3104 -13.2657 -13.2657 -11.7203 -11.7203 -11.7114 -11.7114 -11.1188 -11.1188 -4.9502 -4.9502 -4.7554 -4.7554 -4.6315 -4.6315 -2.1470 -2.1470 -2.0006 -2.0006 -1.9566 -1.9566 -1.9055 -1.9055 -1.8582 -1.8582 -1.3371 -1.3371 -1.2539 -1.2539 -1.1885 -1.1885 -1.1557 -1.1557 -1.0687 -1.0687 -0.8098 -0.8098 -0.6932 -0.6932 -0.5080 -0.5080 -0.3892 -0.3892 -0.1566 -0.1566 -0.0403 -0.0403 -0.0092 -0.0092 0.0115 0.0115 0.0929 0.0929 0.1063 0.1063 0.2056 0.2056 3.0521 3.0521 3.4693 3.4693 k = 0.3088 0.1783 0.5043 ( 8706 PWs) bands (ev): -15.9959 -15.9959 -13.7649 -13.7649 -13.6957 -13.6957 -13.6354 -13.6354 -13.3034 -13.3034 -13.2697 -13.2697 -11.7213 -11.7213 -11.7119 -11.7119 -11.1213 -11.1213 -4.9576 -4.9576 -4.7605 -4.7605 -4.6260 -4.6260 -2.1403 -2.1403 -2.0222 -2.0222 -1.9674 -1.9674 -1.8910 -1.8910 -1.8697 -1.8697 -1.3679 -1.3679 -1.2379 -1.2379 -1.1749 -1.1749 -1.1480 -1.1480 -1.0620 -1.0620 -0.7864 -0.7864 -0.6838 -0.6838 -0.4841 -0.4841 -0.4048 -0.4048 -0.1602 -0.1602 -0.0249 -0.0249 -0.0091 -0.0091 0.0103 0.0103 0.0913 0.0913 0.1001 0.1001 0.2087 0.2087 3.0337 3.0337 3.4584 3.4584 k = 0.2978 0.1719 0.4863 ( 8714 PWs) bands (ev): -15.9970 -15.9970 -13.7673 -13.7673 -13.6946 -13.6946 -13.6323 -13.6323 -13.2968 -13.2968 -13.2733 -13.2733 -11.7227 -11.7227 -11.7124 -11.7124 -11.1242 -11.1242 -4.9644 -4.9644 -4.7657 -4.7657 -4.6217 -4.6217 -2.1367 -2.1367 -2.0460 -2.0460 -1.9875 -1.9875 -1.8901 -1.8901 -1.8522 -1.8522 -1.3976 -1.3976 -1.2224 -1.2224 -1.1603 -1.1603 -1.1411 -1.1411 -1.0545 -1.0545 -0.7607 -0.7607 -0.6758 -0.6758 -0.4627 -0.4627 -0.4164 -0.4164 -0.1640 -0.1640 -0.0103 -0.0103 -0.0094 -0.0094 0.0099 0.0099 0.0818 0.0818 0.1021 0.1021 0.2117 0.2117 3.0168 3.0168 3.4467 3.4467 k = 0.2868 0.1656 0.4683 ( 8708 PWs) bands (ev): -15.9982 -15.9982 -13.7690 -13.7690 -13.6934 -13.6934 -13.6295 -13.6295 -13.2903 -13.2903 -13.2763 -13.2763 -11.7243 -11.7243 -11.7128 -11.7128 -11.1274 -11.1274 -4.9705 -4.9705 -4.7712 -4.7712 -4.6190 -4.6190 -2.1372 -2.1372 -2.0689 -2.0689 -2.0105 -2.0105 -1.8975 -1.8975 -1.8197 -1.8197 -1.4246 -1.4246 -1.2084 -1.2084 -1.1453 -1.1453 -1.1345 -1.1345 -1.0462 -1.0462 -0.7330 -0.7330 -0.6697 -0.6697 -0.4492 -0.4492 -0.4180 -0.4180 -0.1674 -0.1674 -0.0144 -0.0144 0.0051 0.0051 0.0112 0.0112 0.0731 0.0731 0.1055 0.1055 0.2145 0.2145 3.0016 3.0016 3.4344 3.4344 k = 0.2757 0.1592 0.4503 ( 8696 PWs) bands (ev): -15.9995 -15.9995 -13.7698 -13.7698 -13.6923 -13.6923 -13.6273 -13.6273 -13.2841 -13.2841 -13.2787 -13.2787 -11.7262 -11.7262 -11.7132 -11.7132 -11.1309 -11.1309 -4.9757 -4.9757 -4.7768 -4.7768 -4.6179 -4.6179 -2.1435 -2.1435 -2.0892 -2.0892 -2.0347 -2.0347 -1.9022 -1.9022 -1.7854 -1.7854 -1.4478 -1.4478 -1.1960 -1.1960 -1.1329 -1.1329 -1.1254 -1.1254 -1.0372 -1.0372 -0.7038 -0.7038 -0.6661 -0.6661 -0.4483 -0.4483 -0.4040 -0.4040 -0.1698 -0.1698 -0.0239 -0.0239 0.0103 0.0103 0.0222 0.0222 0.0682 0.0682 0.1092 0.1092 0.2171 0.2171 2.9884 2.9884 3.4216 3.4216 k = 0.2647 0.1528 0.4323 ( 8712 PWs) bands (ev): -16.0010 -16.0010 -13.7700 -13.7700 -13.6912 -13.6912 -13.6257 -13.6257 -13.2804 -13.2804 -13.2782 -13.2782 -11.7283 -11.7283 -11.7135 -11.7135 -11.1347 -11.1347 -4.9801 -4.9801 -4.7825 -4.7825 -4.6187 -4.6187 -2.1567 -2.1567 -2.1059 -2.1059 -2.0593 -2.0593 -1.9033 -1.9033 -1.7513 -1.7513 -1.4663 -1.4663 -1.1852 -1.1852 -1.1260 -1.1260 -1.1111 -1.1111 -1.0277 -1.0277 -0.6764 -0.6764 -0.6624 -0.6624 -0.4495 -0.4495 -0.3846 -0.3846 -0.1711 -0.1711 -0.0390 -0.0390 0.0118 0.0118 0.0372 0.0372 0.0679 0.0679 0.1129 0.1129 0.2196 0.2196 2.9774 2.9774 3.4084 3.4084 k = 0.2537 0.1465 0.4143 ( 8712 PWs) bands (ev): -16.0026 -16.0026 -13.7694 -13.7694 -13.6901 -13.6901 -13.6247 -13.6247 -13.2814 -13.2814 -13.2725 -13.2725 -11.7308 -11.7308 -11.7137 -11.7137 -11.1388 -11.1388 -4.9835 -4.9835 -4.7883 -4.7883 -4.6214 -4.6214 -2.1754 -2.1754 -2.1206 -2.1206 -2.0838 -2.0838 -1.9007 -1.9007 -1.7180 -1.7180 -1.4796 -1.4796 -1.1760 -1.1760 -1.1203 -1.1203 -1.0960 -1.0960 -1.0178 -1.0178 -0.6721 -0.6721 -0.6379 -0.6379 -0.4478 -0.4478 -0.3646 -0.3646 -0.1717 -0.1717 -0.0581 -0.0581 0.0138 0.0138 0.0522 0.0522 0.0713 0.0713 0.1168 0.1168 0.2220 0.2220 2.9685 2.9685 3.3949 3.3949 k = 0.2426 0.1401 0.3962 ( 8710 PWs) bands (ev): -16.0043 -16.0043 -13.7680 -13.7680 -13.6890 -13.6890 -13.6243 -13.6243 -13.2816 -13.2816 -13.2671 -13.2671 -11.7336 -11.7336 -11.7139 -11.7139 -11.1432 -11.1432 -4.9861 -4.9861 -4.7940 -4.7940 -4.6260 -4.6260 -2.1971 -2.1971 -2.1365 -2.1365 -2.1074 -2.1074 -1.8944 -1.8944 -1.6866 -1.6866 -1.4871 -1.4871 -1.1683 -1.1683 -1.1147 -1.1147 -1.0815 -1.0815 -1.0074 -1.0074 -0.6778 -0.6778 -0.6057 -0.6057 -0.4423 -0.4423 -0.3451 -0.3451 -0.1733 -0.1733 -0.0778 -0.0778 0.0164 0.0164 0.0669 0.0669 0.0768 0.0768 0.1206 0.1206 0.2241 0.2241 2.9618 2.9618 3.3812 3.3812 k = 0.2316 0.1337 0.3782 ( 8728 PWs) bands (ev): -16.0062 -16.0062 -13.7659 -13.7659 -13.6879 -13.6879 -13.6246 -13.6246 -13.2810 -13.2810 -13.2620 -13.2620 -11.7366 -11.7366 -11.7141 -11.7141 -11.1478 -11.1478 -4.9877 -4.9877 -4.7997 -4.7997 -4.6325 -4.6325 -2.2198 -2.2198 -2.1556 -2.1556 -2.1297 -2.1297 -1.8843 -1.8843 -1.6577 -1.6577 -1.4883 -1.4883 -1.1619 -1.1619 -1.1089 -1.1089 -1.0679 -1.0679 -0.9968 -0.9968 -0.6864 -0.6864 -0.5727 -0.5727 -0.4334 -0.4334 -0.3265 -0.3265 -0.1798 -0.1798 -0.0931 -0.0931 0.0196 0.0196 0.0812 0.0812 0.0836 0.0836 0.1243 0.1243 0.2262 0.2262 2.9573 2.9573 3.3674 3.3674 k = 0.2206 0.1274 0.3602 ( 8720 PWs) bands (ev): -16.0081 -16.0081 -13.7632 -13.7632 -13.6869 -13.6869 -13.6255 -13.6255 -13.2797 -13.2797 -13.2572 -13.2572 -11.7399 -11.7399 -11.7142 -11.7142 -11.1527 -11.1527 -4.9885 -4.9885 -4.8052 -4.8052 -4.6408 -4.6408 -2.2427 -2.2427 -2.1778 -2.1778 -2.1508 -2.1508 -1.8706 -1.8706 -1.6321 -1.6321 -1.4829 -1.4829 -1.1567 -1.1567 -1.1028 -1.1028 -1.0552 -1.0552 -0.9861 -0.9861 -0.6970 -0.6970 -0.5398 -0.5398 -0.4215 -0.4215 -0.3092 -0.3092 -0.1959 -0.1959 -0.0982 -0.0982 0.0236 0.0236 0.0909 0.0909 0.0952 0.0952 0.1281 0.1281 0.2280 0.2280 2.9549 2.9549 3.3536 3.3536 k = 0.2096 0.1210 0.3422 ( 8714 PWs) bands (ev): -16.0102 -16.0102 -13.7598 -13.7598 -13.6859 -13.6859 -13.6270 -13.6270 -13.2776 -13.2776 -13.2527 -13.2527 -11.7435 -11.7435 -11.7142 -11.7142 -11.1577 -11.1577 -4.9884 -4.9884 -4.8107 -4.8107 -4.6507 -4.6507 -2.2653 -2.2653 -2.2018 -2.2018 -2.1720 -2.1720 -1.8535 -1.8535 -1.6102 -1.6102 -1.4715 -1.4715 -1.1523 -1.1523 -1.0966 -1.0966 -1.0433 -1.0433 -0.9752 -0.9752 -0.7087 -0.7087 -0.5076 -0.5076 -0.4072 -0.4072 -0.2940 -0.2940 -0.2202 -0.2202 -0.0931 -0.0931 0.0282 0.0282 0.0985 0.0985 0.1086 0.1086 0.1318 0.1318 0.2298 0.2298 2.9544 2.9544 3.3399 3.3399 k = 0.1985 0.1146 0.3242 ( 8714 PWs) bands (ev): -16.0123 -16.0123 -13.7558 -13.7558 -13.6849 -13.6849 -13.6290 -13.6290 -13.2749 -13.2749 -13.2485 -13.2485 -11.7474 -11.7474 -11.7141 -11.7141 -11.1629 -11.1629 -4.9877 -4.9877 -4.8159 -4.8159 -4.6620 -4.6620 -2.2873 -2.2873 -2.2266 -2.2266 -2.1939 -2.1939 -1.8332 -1.8332 -1.5916 -1.5916 -1.4549 -1.4549 -1.1486 -1.1486 -1.0905 -1.0905 -1.0320 -1.0320 -0.9643 -0.9643 -0.7209 -0.7209 -0.4768 -0.4768 -0.3909 -0.3909 -0.2862 -0.2862 -0.2436 -0.2436 -0.0810 -0.0810 0.0336 0.0336 0.1062 0.1062 0.1215 0.1215 0.1354 0.1354 0.2314 0.2314 2.9556 2.9556 3.3265 3.3265 k = 0.1875 0.1083 0.3062 ( 8710 PWs) bands (ev): -16.0144 -16.0144 -13.7512 -13.7512 -13.6840 -13.6840 -13.6315 -13.6315 -13.2717 -13.2717 -13.2445 -13.2445 -11.7515 -11.7515 -11.7140 -11.7140 -11.1681 -11.1681 -4.9864 -4.9864 -4.8208 -4.8208 -4.6746 -4.6746 -2.3086 -2.3086 -2.2514 -2.2514 -2.2165 -2.2165 -1.8101 -1.8101 -1.5756 -1.5756 -1.4347 -1.4347 -1.1455 -1.1455 -1.0845 -1.0845 -1.0211 -1.0211 -0.9535 -0.9535 -0.7333 -0.7333 -0.4490 -0.4490 -0.3734 -0.3734 -0.3014 -0.3014 -0.2464 -0.2464 -0.0646 -0.0646 0.0396 0.0396 0.1136 0.1136 0.1338 0.1338 0.1390 0.1390 0.2329 0.2329 2.9583 2.9583 3.3134 3.3134 k = 0.1765 0.1019 0.2882 ( 8720 PWs) bands (ev): -16.0166 -16.0166 -13.7463 -13.7463 -13.6832 -13.6832 -13.6344 -13.6344 -13.2680 -13.2680 -13.2409 -13.2409 -11.7558 -11.7558 -11.7139 -11.7139 -11.1734 -11.1734 -4.9847 -4.9847 -4.8254 -4.8254 -4.6881 -4.6881 -2.3292 -2.3292 -2.2760 -2.2760 -2.2395 -2.2395 -1.7845 -1.7845 -1.5610 -1.5610 -1.4127 -1.4127 -1.1427 -1.1427 -1.0790 -1.0790 -1.0103 -1.0103 -0.9429 -0.9429 -0.7453 -0.7453 -0.4283 -0.4283 -0.3568 -0.3568 -0.3255 -0.3255 -0.2358 -0.2358 -0.0454 -0.0454 0.0462 0.0462 0.1208 0.1208 0.1423 0.1423 0.1456 0.1456 0.2343 0.2343 2.9622 2.9622 3.3009 3.3009 k = 0.1654 0.0955 0.2702 ( 8724 PWs) bands (ev): -16.0188 -16.0188 -13.7409 -13.7409 -13.6823 -13.6823 -13.6376 -13.6376 -13.2638 -13.2638 -13.2375 -13.2375 -11.7602 -11.7602 -11.7137 -11.7137 -11.1787 -11.1787 -4.9826 -4.9826 -4.8297 -4.8297 -4.7022 -4.7022 -2.3488 -2.3488 -2.3000 -2.3000 -2.2627 -2.2627 -1.7569 -1.7569 -1.5473 -1.5473 -1.3900 -1.3900 -1.1401 -1.1401 -1.0740 -1.0740 -0.9994 -0.9994 -0.9326 -0.9326 -0.7569 -0.7569 -0.4271 -0.4271 -0.3513 -0.3513 -0.3242 -0.3242 -0.2231 -0.2231 -0.0242 -0.0242 0.0535 0.0535 0.1277 0.1277 0.1457 0.1457 0.1566 0.1566 0.2356 0.2356 2.9669 2.9669 3.2891 3.2891 k = 0.1544 0.0891 0.2522 ( 8737 PWs) bands (ev): -16.0210 -16.0210 -13.7353 -13.7353 -13.6816 -13.6816 -13.6411 -13.6411 -13.2595 -13.2595 -13.2344 -13.2344 -11.7648 -11.7648 -11.7135 -11.7135 -11.1839 -11.1839 -4.9804 -4.9804 -4.8335 -4.8335 -4.7168 -4.7168 -2.3675 -2.3675 -2.3234 -2.3234 -2.2855 -2.2855 -1.7276 -1.7276 -1.5340 -1.5340 -1.3675 -1.3675 -1.1378 -1.1378 -1.0698 -1.0698 -0.9881 -0.9881 -0.9225 -0.9225 -0.7676 -0.7676 -0.4529 -0.4529 -0.3405 -0.3405 -0.3042 -0.3042 -0.2105 -0.2105 -0.0017 -0.0017 0.0615 0.0615 0.1342 0.1342 0.1489 0.1489 0.1669 0.1669 0.2368 0.2368 2.9720 2.9720 3.2782 3.2782 k = 0.1434 0.0828 0.2341 ( 8741 PWs) bands (ev): -16.0232 -16.0232 -13.7295 -13.7295 -13.6809 -13.6809 -13.6446 -13.6446 -13.2549 -13.2549 -13.2315 -13.2315 -11.7695 -11.7695 -11.7132 -11.7132 -11.1890 -11.1890 -4.9783 -4.9783 -4.8367 -4.8367 -4.7315 -4.7315 -2.3851 -2.3851 -2.3459 -2.3459 -2.3078 -2.3078 -1.6972 -1.6972 -1.5209 -1.5209 -1.3459 -1.3459 -1.1356 -1.1356 -1.0665 -1.0665 -0.9764 -0.9764 -0.9130 -0.9130 -0.7774 -0.7774 -0.4909 -0.4909 -0.3227 -0.3227 -0.2816 -0.2816 -0.1983 -0.1983 0.0215 0.0215 0.0700 0.0700 0.1402 0.1402 0.1520 0.1520 0.1765 0.1765 0.2380 0.2380 2.9772 2.9772 3.2682 3.2682 k = 0.1324 0.0764 0.2161 ( 8745 PWs) bands (ev): -16.0253 -16.0253 -13.7236 -13.7236 -13.6802 -13.6802 -13.6482 -13.6482 -13.2502 -13.2502 -13.2290 -13.2290 -11.7741 -11.7741 -11.7129 -11.7129 -11.1939 -11.1939 -4.9763 -4.9763 -4.8395 -4.8395 -4.7459 -4.7459 -2.4017 -2.4017 -2.3673 -2.3673 -2.3292 -2.3292 -1.6662 -1.6662 -1.5080 -1.5080 -1.3252 -1.3252 -1.1336 -1.1336 -1.0640 -1.0640 -0.9641 -0.9641 -0.9039 -0.9039 -0.7861 -0.7861 -0.5329 -0.5329 -0.3038 -0.3038 -0.2589 -0.2589 -0.1868 -0.1868 0.0447 0.0447 0.0791 0.0791 0.1458 0.1458 0.1551 0.1551 0.1854 0.1854 0.2392 0.2392 2.9820 2.9820 3.2595 3.2595 k = 0.1213 0.0700 0.1981 ( 8729 PWs) bands (ev): -16.0274 -16.0274 -13.7177 -13.7177 -13.6796 -13.6796 -13.6518 -13.6518 -13.2455 -13.2455 -13.2266 -13.2266 -11.7788 -11.7788 -11.7126 -11.7126 -11.1986 -11.1986 -4.9746 -4.9746 -4.8416 -4.8416 -4.7600 -4.7600 -2.4172 -2.4172 -2.3876 -2.3876 -2.3494 -2.3494 -1.6348 -1.6348 -1.4953 -1.4953 -1.3056 -1.3056 -1.1316 -1.1316 -1.0626 -1.0626 -0.9515 -0.9515 -0.8955 -0.8955 -0.7934 -0.7934 -0.5762 -0.5762 -0.2852 -0.2852 -0.2369 -0.2369 -0.1759 -0.1759 0.0675 0.0675 0.0886 0.0886 0.1508 0.1508 0.1582 0.1582 0.1935 0.1935 0.2404 0.2404 2.9860 2.9860 3.2522 3.2522 k = 0.1103 0.0637 0.1801 ( 8735 PWs) bands (ev): -16.0293 -16.0293 -13.7119 -13.7119 -13.6790 -13.6790 -13.6553 -13.6553 -13.2410 -13.2410 -13.2245 -13.2245 -11.7834 -11.7834 -11.7123 -11.7123 -11.2030 -11.2030 -4.9734 -4.9734 -4.8431 -4.8431 -4.7733 -4.7733 -2.4316 -2.4316 -2.4067 -2.4067 -2.3682 -2.3682 -1.6038 -1.6038 -1.4830 -1.4830 -1.2871 -1.2871 -1.1297 -1.1297 -1.0621 -1.0621 -0.9386 -0.9386 -0.8880 -0.8880 -0.7994 -0.7994 -0.6200 -0.6200 -0.2675 -0.2675 -0.2161 -0.2161 -0.1657 -0.1657 0.0891 0.0891 0.0986 0.0986 0.1552 0.1552 0.1615 0.1615 0.2008 0.2008 0.2417 0.2417 2.9889 2.9889 3.2464 3.2464 k = 0.0993 0.0573 0.1621 ( 8727 PWs) bands (ev): -16.0311 -16.0311 -13.7064 -13.7064 -13.6785 -13.6785 -13.6586 -13.6586 -13.2366 -13.2366 -13.2227 -13.2227 -11.7878 -11.7878 -11.7120 -11.7120 -11.2072 -11.2072 -4.9728 -4.9728 -4.8439 -4.8439 -4.7857 -4.7857 -2.4448 -2.4448 -2.4243 -2.4243 -2.3856 -2.3856 -1.5735 -1.5735 -1.4711 -1.4711 -1.2694 -1.2694 -1.1279 -1.1279 -1.0625 -1.0625 -0.9260 -0.9260 -0.8813 -0.8813 -0.8039 -0.8039 -0.6635 -0.6635 -0.2509 -0.2509 -0.1970 -0.1970 -0.1563 -0.1563 0.1077 0.1077 0.1101 0.1101 0.1589 0.1589 0.1652 0.1652 0.2076 0.2076 0.2430 0.2430 2.9904 2.9904 3.2421 3.2421 k = 0.0882 0.0509 0.1441 ( 8715 PWs) bands (ev): -16.0328 -16.0328 -13.7012 -13.7012 -13.6780 -13.6780 -13.6616 -13.6616 -13.2325 -13.2325 -13.2211 -13.2211 -11.7920 -11.7920 -11.7117 -11.7117 -11.2110 -11.2110 -4.9727 -4.9727 -4.8442 -4.8442 -4.7971 -4.7971 -2.4568 -2.4568 -2.4405 -2.4405 -2.4012 -2.4012 -1.5443 -1.5443 -1.4598 -1.4598 -1.2525 -1.2525 -1.1260 -1.1260 -1.0637 -1.0637 -0.9138 -0.9138 -0.8757 -0.8757 -0.8068 -0.8068 -0.7062 -0.7062 -0.2358 -0.2358 -0.1796 -0.1796 -0.1475 -0.1475 0.1183 0.1183 0.1270 0.1270 0.1618 0.1618 0.1697 0.1697 0.2138 0.2138 0.2443 0.2443 2.9903 2.9903 3.2393 3.2393 k = 0.0772 0.0446 0.1261 ( 8703 PWs) bands (ev): -16.0344 -16.0344 -13.6966 -13.6966 -13.6775 -13.6775 -13.6643 -13.6643 -13.2287 -13.2287 -13.2196 -13.2196 -11.7959 -11.7959 -11.7114 -11.7114 -11.2144 -11.2144 -4.9731 -4.9731 -4.8441 -4.8441 -4.8072 -4.8072 -2.4676 -2.4676 -2.4550 -2.4550 -2.4152 -2.4152 -1.5168 -1.5168 -1.4493 -1.4493 -1.2364 -1.2364 -1.1237 -1.1237 -1.0654 -1.0654 -0.9025 -0.9025 -0.8712 -0.8712 -0.8084 -0.8084 -0.7477 -0.7477 -0.2222 -0.2222 -0.1641 -0.1641 -0.1395 -0.1395 0.1282 0.1282 0.1413 0.1413 0.1643 0.1643 0.1750 0.1750 0.2197 0.2197 0.2456 0.2456 2.9888 2.9888 3.2379 3.2379 k = 0.0662 0.0382 0.1081 ( 8705 PWs) bands (ev): -16.0358 -16.0358 -13.6926 -13.6926 -13.6769 -13.6769 -13.6666 -13.6666 -13.2253 -13.2253 -13.2184 -13.2184 -11.7994 -11.7994 -11.7112 -11.7112 -11.2174 -11.2174 -4.9740 -4.9740 -4.8436 -4.8436 -4.8160 -4.8160 -2.4771 -2.4771 -2.4678 -2.4678 -2.4272 -2.4272 -1.4914 -1.4914 -1.4397 -1.4397 -1.2212 -1.2212 -1.1208 -1.1208 -1.0674 -1.0674 -0.8923 -0.8923 -0.8678 -0.8678 -0.8096 -0.8096 -0.7866 -0.7866 -0.2104 -0.2104 -0.1505 -0.1505 -0.1324 -0.1324 0.1373 0.1373 0.1516 0.1516 0.1664 0.1664 0.1812 0.1812 0.2256 0.2256 0.2469 0.2469 2.9861 2.9861 3.2376 3.2376 k = 0.0551 0.0318 0.0901 ( 8715 PWs) bands (ev): -16.0369 -16.0369 -13.6894 -13.6894 -13.6761 -13.6761 -13.6685 -13.6685 -13.2223 -13.2223 -13.2174 -13.2174 -11.8026 -11.8026 -11.7110 -11.7110 -11.2199 -11.2199 -4.9751 -4.9751 -4.8428 -4.8428 -4.8234 -4.8234 -2.4853 -2.4853 -2.4788 -2.4788 -2.4375 -2.4375 -1.4685 -1.4685 -1.4312 -1.4312 -1.2075 -1.2075 -1.1166 -1.1166 -1.0695 -1.0695 -0.8837 -0.8837 -0.8655 -0.8655 -0.8287 -0.8287 -0.8043 -0.8043 -0.2005 -0.2005 -0.1388 -0.1388 -0.1261 -0.1261 0.1456 0.1456 0.1585 0.1585 0.1683 0.1683 0.1876 0.1876 0.2315 0.2315 0.2481 0.2481 2.9825 2.9825 3.2381 3.2381 k = 0.0441 0.0255 0.0720 ( 8711 PWs) bands (ev): -16.0379 -16.0379 -13.6872 -13.6872 -13.6752 -13.6752 -13.6700 -13.6700 -13.2198 -13.2198 -13.2166 -13.2166 -11.8052 -11.8052 -11.7108 -11.7108 -11.2221 -11.2221 -4.9764 -4.9764 -4.8420 -4.8420 -4.8294 -4.8294 -2.4920 -2.4920 -2.4879 -2.4879 -2.4458 -2.4458 -1.4488 -1.4488 -1.4241 -1.4241 -1.1959 -1.1959 -1.1102 -1.1102 -1.0715 -1.0715 -0.8785 -0.8785 -0.8641 -0.8641 -0.8612 -0.8612 -0.8036 -0.8036 -0.1924 -0.1924 -0.1290 -0.1290 -0.1208 -0.1208 0.1524 0.1524 0.1633 0.1633 0.1700 0.1700 0.1930 0.1930 0.2374 0.2374 0.2492 0.2492 2.9786 2.9786 3.2390 3.2390 k = 0.0331 0.0191 0.0540 ( 8715 PWs) bands (ev): -16.0387 -16.0387 -13.6859 -13.6859 -13.6741 -13.6741 -13.6710 -13.6710 -13.2178 -13.2178 -13.2160 -13.2160 -11.8073 -11.8073 -11.7106 -11.7106 -11.2238 -11.2238 -4.9776 -4.9776 -4.8412 -4.8412 -4.8341 -4.8341 -2.4974 -2.4974 -2.4951 -2.4951 -2.4523 -2.4523 -1.4327 -1.4327 -1.4183 -1.4183 -1.1873 -1.1873 -1.1011 -1.1011 -1.0733 -1.0733 -0.8980 -0.8980 -0.8685 -0.8685 -0.8630 -0.8630 -0.8018 -0.8018 -0.1862 -0.1862 -0.1212 -0.1212 -0.1166 -0.1166 0.1574 0.1574 0.1670 0.1670 0.1713 0.1713 0.1970 0.1970 0.2428 0.2428 0.2500 0.2500 2.9748 2.9748 3.2401 3.2401 k = 0.0221 0.0127 0.0360 ( 8721 PWs) bands (ev): -16.0393 -16.0393 -13.6852 -13.6852 -13.6731 -13.6731 -13.6717 -13.6717 -13.2164 -13.2164 -13.2156 -13.2156 -11.8088 -11.8088 -11.7105 -11.7105 -11.2250 -11.2250 -4.9786 -4.9786 -4.8406 -4.8406 -4.8374 -4.8374 -2.5012 -2.5012 -2.5002 -2.5002 -2.4570 -2.4570 -1.4207 -1.4207 -1.4142 -1.4142 -1.1819 -1.1819 -1.0901 -1.0901 -1.0746 -1.0746 -0.9249 -0.9249 -0.8651 -0.8651 -0.8625 -0.8625 -0.8000 -0.8000 -0.1819 -0.1819 -0.1156 -0.1156 -0.1135 -0.1135 0.1605 0.1605 0.1701 0.1701 0.1723 0.1723 0.1996 0.1996 0.2472 0.2472 0.2506 0.2506 2.9717 2.9717 3.2411 3.2411 k = 0.0110 0.0064 0.0180 ( 8713 PWs) bands (ev): -16.0396 -16.0396 -13.6849 -13.6849 -13.6724 -13.6724 -13.6721 -13.6721 -13.2155 -13.2155 -13.2153 -13.2153 -11.8098 -11.8098 -11.7104 -11.7104 -11.2257 -11.2257 -4.9792 -4.9792 -4.8401 -4.8401 -4.8393 -4.8393 -2.5036 -2.5036 -2.5033 -2.5033 -2.4597 -2.4597 -1.4133 -1.4133 -1.4116 -1.4116 -1.1790 -1.1790 -1.0800 -1.0800 -1.0754 -1.0754 -0.9445 -0.9445 -0.8629 -0.8629 -0.8622 -0.8622 -0.7988 -0.7988 -0.1793 -0.1793 -0.1122 -0.1122 -0.1116 -0.1116 0.1621 0.1621 0.1723 0.1723 0.1729 0.1729 0.2009 0.2009 0.2500 0.2500 0.2509 0.2509 2.9696 2.9696 3.2418 3.2418 k = 0.0000 0.0000 0.0000 ( 8657 PWs) bands (ev): -16.0397 -16.0397 -13.6849 -13.6849 -13.6722 -13.6722 -13.6722 -13.6722 -13.2152 -13.2152 -13.2152 -13.2152 -11.8101 -11.8101 -11.7104 -11.7104 -11.2259 -11.2259 -4.9794 -4.9794 -4.8400 -4.8400 -4.8400 -4.8400 -2.5043 -2.5043 -2.5043 -2.5043 -2.4606 -2.4606 -1.4108 -1.4108 -1.4108 -1.4108 -1.1782 -1.1782 -1.0757 -1.0757 -1.0757 -1.0757 -0.9520 -0.9520 -0.8621 -0.8621 -0.8621 -0.8621 -0.7984 -0.7984 -0.1784 -0.1784 -0.1110 -0.1110 -0.1110 -0.1110 0.1626 0.1626 0.1732 0.1732 0.1732 0.1732 0.2014 0.2014 0.2510 0.2510 0.2510 0.2510 2.9689 2.9689 3.2420 3.2420 k = 0.0000 0.0000 0.0000 ( 8657 PWs) bands (ev): -16.0397 -16.0397 -13.6849 -13.6849 -13.6722 -13.6722 -13.6722 -13.6722 -13.2152 -13.2152 -13.2152 -13.2152 -11.8101 -11.8101 -11.7104 -11.7104 -11.2259 -11.2259 -4.9794 -4.9794 -4.8400 -4.8400 -4.8400 -4.8400 -2.5043 -2.5043 -2.5043 -2.5043 -2.4606 -2.4606 -1.4108 -1.4108 -1.4108 -1.4108 -1.1782 -1.1782 -1.0757 -1.0757 -1.0757 -1.0757 -0.9520 -0.9520 -0.8621 -0.8621 -0.8621 -0.8621 -0.7984 -0.7984 -0.1784 -0.1784 -0.1110 -0.1110 -0.1110 -0.1110 0.1626 0.1626 0.1732 0.1732 0.1732 0.1732 0.2014 0.2014 0.2510 0.2510 0.2510 0.2510 2.9689 2.9689 3.2420 3.2420 k = 0.0179 0.0103 0.0073 ( 8717 PWs) bands (ev): -16.0396 -16.0396 -13.6849 -13.6849 -13.6724 -13.6724 -13.6720 -13.6720 -13.2154 -13.2154 -13.2154 -13.2154 -11.8098 -11.8098 -11.7104 -11.7104 -11.2257 -11.2257 -4.9792 -4.9792 -4.8402 -4.8402 -4.8393 -4.8393 -2.5036 -2.5036 -2.5034 -2.5034 -2.4597 -2.4597 -1.4125 -1.4125 -1.4124 -1.4124 -1.1790 -1.1790 -1.0800 -1.0800 -1.0753 -1.0753 -0.9446 -0.9446 -0.8629 -0.8629 -0.8622 -0.8622 -0.7988 -0.7988 -0.1793 -0.1793 -0.1120 -0.1120 -0.1118 -0.1118 0.1621 0.1621 0.1723 0.1723 0.1730 0.1730 0.2009 0.2009 0.2500 0.2500 0.2509 0.2509 2.9696 2.9696 3.2417 3.2417 k = 0.0357 0.0206 0.0146 ( 8729 PWs) bands (ev): -16.0393 -16.0393 -13.6852 -13.6852 -13.6732 -13.6732 -13.6716 -13.6716 -13.2160 -13.2160 -13.2160 -13.2160 -11.8089 -11.8089 -11.7105 -11.7105 -11.2250 -11.2250 -4.9786 -4.9786 -4.8408 -4.8408 -4.8372 -4.8372 -2.5012 -2.5012 -2.5004 -2.5004 -2.4570 -2.4570 -1.4175 -1.4175 -1.4171 -1.4171 -1.1819 -1.1819 -1.0900 -1.0900 -1.0743 -1.0743 -0.9253 -0.9253 -0.8653 -0.8653 -0.8623 -0.8623 -0.8000 -0.8000 -0.1818 -0.1818 -0.1151 -0.1151 -0.1139 -0.1139 0.1605 0.1605 0.1700 0.1700 0.1725 0.1725 0.1996 0.1996 0.2471 0.2471 0.2507 0.2507 2.9716 2.9716 3.2406 3.2406 k = 0.0536 0.0309 0.0219 ( 8726 PWs) bands (ev): -16.0387 -16.0387 -13.6860 -13.6860 -13.6740 -13.6740 -13.6709 -13.6709 -13.2169 -13.2169 -13.2169 -13.2169 -11.8074 -11.8074 -11.7106 -11.7106 -11.2238 -11.2238 -4.9777 -4.9777 -4.8416 -4.8416 -4.8337 -4.8337 -2.4973 -2.4973 -2.4954 -2.4954 -2.4525 -2.4525 -1.4257 -1.4257 -1.4249 -1.4249 -1.1876 -1.1876 -1.1006 -1.1006 -1.0728 -1.0728 -0.8987 -0.8987 -0.8690 -0.8690 -0.8628 -0.8628 -0.8016 -0.8016 -0.1860 -0.1860 -0.1201 -0.1201 -0.1175 -0.1175 0.1571 0.1571 0.1671 0.1671 0.1718 0.1718 0.1969 0.1969 0.2427 0.2427 0.2503 0.2503 2.9745 2.9745 3.2393 3.2393 k = 0.0714 0.0412 0.0292 ( 8714 PWs) bands (ev): -16.0380 -16.0380 -13.6878 -13.6878 -13.6746 -13.6746 -13.6700 -13.6700 -13.2182 -13.2182 -13.2181 -13.2181 -11.8053 -11.8053 -11.7107 -11.7107 -11.2222 -11.2222 -4.9766 -4.9766 -4.8425 -4.8425 -4.8289 -4.8289 -2.4918 -2.4918 -2.4886 -2.4886 -2.4462 -2.4462 -1.4368 -1.4368 -1.4355 -1.4355 -1.1968 -1.1968 -1.1086 -1.1086 -1.0712 -1.0712 -0.8738 -0.8738 -0.8676 -0.8676 -0.8638 -0.8638 -0.8032 -0.8032 -0.1919 -0.1919 -0.1270 -0.1270 -0.1224 -0.1224 0.1511 0.1511 0.1643 0.1643 0.1708 0.1708 0.1925 0.1925 0.2375 0.2375 0.2498 0.2498 2.9777 2.9777 3.2381 3.2381 k = 0.0893 0.0515 0.0365 ( 8717 PWs) bands (ev): -16.0370 -16.0370 -13.6907 -13.6907 -13.6746 -13.6746 -13.6687 -13.6687 -13.2198 -13.2198 -13.2198 -13.2198 -11.8027 -11.8027 -11.7109 -11.7109 -11.2201 -11.2201 -4.9757 -4.9757 -4.8431 -4.8431 -4.8228 -4.8228 -2.4848 -2.4848 -2.4799 -2.4799 -2.4380 -2.4380 -1.4504 -1.4504 -1.4487 -1.4487 -1.2092 -1.2092 -1.1135 -1.1135 -1.0702 -1.0702 -0.8793 -0.8793 -0.8658 -0.8658 -0.8335 -0.8335 -0.8041 -0.8041 -0.1994 -0.1994 -0.1358 -0.1358 -0.1285 -0.1285 0.1424 0.1424 0.1618 0.1618 0.1697 0.1697 0.1857 0.1857 0.2321 0.2321 0.2490 0.2490 2.9804 2.9804 3.2380 3.2380 k = 0.1071 0.0619 0.0437 ( 8711 PWs) bands (ev): -16.0358 -16.0358 -13.6948 -13.6948 -13.6739 -13.6739 -13.6673 -13.6673 -13.2217 -13.2217 -13.2217 -13.2217 -11.7997 -11.7997 -11.7112 -11.7112 -11.2175 -11.2175 -4.9753 -4.9753 -4.8432 -4.8432 -4.8154 -4.8154 -2.4764 -2.4764 -2.4694 -2.4694 -2.4281 -2.4281 -1.4663 -1.4663 -1.4642 -1.4642 -1.2235 -1.2235 -1.1164 -1.1164 -1.0704 -1.0704 -0.8848 -0.8848 -0.8689 -0.8689 -0.8045 -0.8045 -0.7968 -0.7968 -0.2085 -0.2085 -0.1464 -0.1464 -0.1357 -0.1357 0.1313 0.1313 0.1592 0.1592 0.1684 0.1684 0.1763 0.1763 0.2273 0.2273 0.2481 0.2481 2.9816 2.9816 3.2397 3.2397 k = 0.1250 0.0722 0.0510 ( 8708 PWs) bands (ev): -16.0345 -16.0345 -13.6999 -13.6999 -13.6727 -13.6727 -13.6655 -13.6655 -13.2240 -13.2240 -13.2240 -13.2240 -11.7962 -11.7962 -11.7114 -11.7114 -11.2146 -11.2146 -4.9757 -4.9757 -4.8424 -4.8424 -4.8069 -4.8069 -2.4666 -2.4666 -2.4573 -2.4573 -2.4164 -2.4164 -1.4841 -1.4841 -1.4816 -1.4816 -1.2386 -1.2386 -1.1185 -1.1185 -1.0725 -1.0725 -0.8896 -0.8896 -0.8729 -0.8729 -0.8025 -0.8025 -0.7595 -0.7595 -0.2192 -0.2192 -0.1586 -0.1586 -0.1440 -0.1440 0.1179 0.1179 0.1550 0.1550 0.1655 0.1655 0.1671 0.1671 0.2234 0.2234 0.2469 0.2469 2.9801 2.9801 3.2442 3.2442 k = 0.1429 0.0825 0.0583 ( 8726 PWs) bands (ev): -16.0330 -16.0330 -13.7058 -13.7058 -13.6710 -13.6710 -13.6636 -13.6636 -13.2266 -13.2266 -13.2265 -13.2265 -11.7924 -11.7924 -11.7117 -11.7117 -11.2113 -11.2113 -4.9772 -4.9772 -4.8403 -4.8403 -4.7972 -4.7972 -2.4554 -2.4554 -2.4436 -2.4436 -2.4030 -2.4030 -1.5035 -1.5035 -1.5007 -1.5007 -1.2537 -1.2537 -1.1212 -1.1212 -1.0774 -1.0774 -0.8930 -0.8930 -0.8774 -0.8774 -0.7992 -0.7992 -0.7208 -0.7208 -0.2313 -0.2313 -0.1722 -0.1722 -0.1531 -0.1531 0.1024 0.1024 0.1442 0.1442 0.1589 0.1589 0.1658 0.1658 0.2201 0.2201 0.2455 0.2455 2.9752 2.9752 3.2523 3.2523 k = 0.1607 0.0928 0.0656 ( 8714 PWs) bands (ev): -16.0313 -16.0313 -13.7124 -13.7124 -13.6691 -13.6691 -13.6615 -13.6615 -13.2294 -13.2294 -13.2293 -13.2293 -11.7884 -11.7884 -11.7119 -11.7119 -11.2076 -11.2076 -4.9800 -4.9800 -4.8368 -4.8368 -4.7866 -4.7866 -2.4429 -2.4429 -2.4285 -2.4285 -2.3878 -2.3878 -1.5242 -1.5242 -1.5212 -1.5212 -1.2682 -1.2682 -1.1256 -1.1256 -1.0858 -1.0858 -0.8942 -0.8942 -0.8816 -0.8816 -0.7944 -0.7944 -0.6813 -0.6813 -0.2446 -0.2446 -0.1873 -0.1873 -0.1631 -0.1631 0.0847 0.0847 0.1280 0.1280 0.1558 0.1558 0.1645 0.1645 0.2174 0.2174 0.2439 0.2439 2.9665 2.9665 3.2642 3.2642 k = 0.1786 0.1031 0.0729 ( 8726 PWs) bands (ev): -16.0295 -16.0295 -13.7196 -13.7196 -13.6669 -13.6669 -13.6591 -13.6591 -13.2325 -13.2325 -13.2324 -13.2324 -11.7842 -11.7842 -11.7122 -11.7122 -11.2036 -11.2036 -4.9843 -4.9843 -4.8315 -4.8315 -4.7750 -4.7750 -2.4293 -2.4293 -2.4121 -2.4121 -2.3710 -2.3710 -1.5458 -1.5458 -1.5426 -1.5426 -1.2820 -1.2820 -1.1326 -1.1326 -1.0980 -1.0980 -0.8929 -0.8929 -0.8848 -0.8848 -0.7884 -0.7884 -0.6414 -0.6414 -0.2590 -0.2590 -0.2035 -0.2035 -0.1738 -0.1738 0.0651 0.0651 0.1097 0.1097 0.1536 0.1536 0.1633 0.1633 0.2148 0.2148 0.2422 0.2422 2.9538 2.9538 3.2799 3.2799 k = 0.1964 0.1134 0.0802 ( 8726 PWs) bands (ev): -16.0276 -16.0276 -13.7271 -13.7271 -13.6646 -13.6646 -13.6566 -13.6566 -13.2357 -13.2357 -13.2357 -13.2357 -11.7799 -11.7799 -11.7124 -11.7124 -11.1993 -11.1993 -4.9900 -4.9900 -4.8247 -4.8247 -4.7627 -4.7627 -2.4146 -2.4146 -2.3946 -2.3946 -2.3526 -2.3526 -1.5682 -1.5682 -1.5647 -1.5647 -1.2950 -1.2950 -1.1426 -1.1426 -1.1139 -1.1139 -0.8890 -0.8890 -0.8862 -0.8862 -0.7813 -0.7813 -0.6015 -0.6015 -0.2743 -0.2743 -0.2208 -0.2208 -0.1852 -0.1852 0.0436 0.0436 0.0904 0.0904 0.1516 0.1516 0.1622 0.1622 0.2123 0.2123 0.2402 0.2402 2.9377 2.9377 3.2988 3.2988 k = 0.2143 0.1237 0.0875 ( 8729 PWs) bands (ev): -16.0257 -16.0257 -13.7349 -13.7349 -13.6620 -13.6620 -13.6540 -13.6540 -13.2392 -13.2392 -13.2391 -13.2391 -11.7755 -11.7755 -11.7126 -11.7126 -11.1948 -11.1948 -4.9969 -4.9969 -4.8165 -4.8165 -4.7497 -4.7497 -2.3990 -2.3990 -2.3762 -2.3762 -2.3327 -2.3327 -1.5908 -1.5908 -1.5872 -1.5872 -1.3071 -1.3071 -1.1560 -1.1560 -1.1334 -1.1334 -0.8856 -0.8856 -0.8827 -0.8827 -0.7732 -0.7732 -0.5620 -0.5620 -0.2901 -0.2901 -0.2390 -0.2390 -0.1971 -0.1971 0.0205 0.0205 0.0705 0.0705 0.1498 0.1498 0.1613 0.1613 0.2099 0.2099 0.2380 0.2380 2.9185 2.9185 3.3205 3.3205 k = 0.2321 0.1340 0.0948 ( 8741 PWs) bands (ev): -16.0236 -16.0236 -13.7429 -13.7429 -13.6593 -13.6593 -13.6512 -13.6512 -13.2427 -13.2427 -13.2427 -13.2427 -11.7712 -11.7712 -11.7128 -11.7128 -11.1901 -11.1901 -5.0048 -5.0048 -4.8071 -4.8071 -4.7363 -4.7363 -2.3826 -2.3826 -2.3569 -2.3569 -2.3114 -2.3114 -1.6134 -1.6134 -1.6095 -1.6095 -1.3186 -1.3186 -1.1727 -1.1727 -1.1560 -1.1560 -0.8826 -0.8826 -0.8745 -0.8745 -0.7643 -0.7643 -0.5235 -0.5235 -0.3060 -0.3060 -0.2579 -0.2579 -0.2095 -0.2095 -0.0038 -0.0038 0.0501 0.0501 0.1481 0.1481 0.1605 0.1605 0.2074 0.2074 0.2357 0.2357 2.8969 2.8969 3.3440 3.3440 k = 0.2500 0.1443 0.1021 ( 8738 PWs) bands (ev): -16.0216 -16.0216 -13.7509 -13.7509 -13.6566 -13.6566 -13.6484 -13.6484 -13.2464 -13.2464 -13.2463 -13.2463 -11.7671 -11.7671 -11.7128 -11.7128 -11.1852 -11.1852 -5.0135 -5.0135 -4.7967 -4.7967 -4.7224 -4.7224 -2.3657 -2.3657 -2.3371 -2.3371 -2.2891 -2.2891 -1.6357 -1.6357 -1.6313 -1.6313 -1.3294 -1.3294 -1.1925 -1.1925 -1.1812 -1.1812 -0.8775 -0.8775 -0.8645 -0.8645 -0.7546 -0.7546 -0.4870 -0.4870 -0.3212 -0.3212 -0.2774 -0.2774 -0.2223 -0.2223 -0.0287 -0.0287 0.0296 0.0296 0.1467 0.1467 0.1598 0.1598 0.2049 0.2049 0.2332 0.2332 2.8736 2.8736 3.3689 3.3689 k = 0.2679 0.1546 0.1094 ( 8738 PWs) bands (ev): -16.0195 -16.0195 -13.7590 -13.7590 -13.6537 -13.6537 -13.6455 -13.6455 -13.2501 -13.2501 -13.2500 -13.2500 -11.7631 -11.7631 -11.7128 -11.7128 -11.1803 -11.1803 -5.0227 -5.0227 -4.7856 -4.7856 -4.7084 -4.7084 -2.3484 -2.3484 -2.3168 -2.3168 -2.2658 -2.2658 -1.6571 -1.6571 -1.6522 -1.6522 -1.3400 -1.3400 -1.2149 -1.2149 -1.2085 -1.2085 -0.8704 -0.8704 -0.8532 -0.8532 -0.7444 -0.7444 -0.4546 -0.4546 -0.3340 -0.3340 -0.2973 -0.2973 -0.2353 -0.2353 -0.0540 -0.0540 0.0090 0.0090 0.1454 0.1454 0.1593 0.1593 0.2024 0.2024 0.2306 0.2306 2.8491 2.8491 3.3945 3.3945 k = 0.2857 0.1650 0.1166 ( 8747 PWs) bands (ev): -16.0175 -16.0175 -13.7668 -13.7668 -13.6509 -13.6509 -13.6426 -13.6426 -13.2538 -13.2538 -13.2537 -13.2537 -11.7594 -11.7594 -11.7127 -11.7127 -11.1754 -11.1754 -5.0321 -5.0321 -4.7741 -4.7741 -4.6944 -4.6944 -2.3310 -2.3310 -2.2964 -2.2964 -2.2418 -2.2418 -1.6772 -1.6772 -1.6716 -1.6716 -1.3504 -1.3504 -1.2392 -1.2392 -1.2376 -1.2376 -0.8616 -0.8616 -0.8408 -0.8408 -0.7336 -0.7336 -0.4309 -0.4309 -0.3399 -0.3399 -0.3175 -0.3175 -0.2482 -0.2482 -0.0790 -0.0790 -0.0114 -0.0114 0.1442 0.1442 0.1590 0.1590 0.1999 0.1999 0.2279 0.2279 2.8239 2.8239 3.4202 3.4202 k = 0.3036 0.1753 0.1239 ( 8736 PWs) bands (ev): -16.0154 -16.0154 -13.7745 -13.7745 -13.6480 -13.6480 -13.6397 -13.6397 -13.2575 -13.2575 -13.2574 -13.2574 -11.7560 -11.7560 -11.7125 -11.7125 -11.1706 -11.1706 -5.0415 -5.0415 -4.7624 -4.7624 -4.6805 -4.6805 -2.3139 -2.3139 -2.2760 -2.2760 -2.2175 -2.2175 -1.6956 -1.6956 -1.6892 -1.6892 -1.3612 -1.3612 -1.2681 -1.2681 -1.2647 -1.2647 -0.8515 -0.8515 -0.8275 -0.8275 -0.7224 -0.7224 -0.4231 -0.4231 -0.3378 -0.3378 -0.3328 -0.3328 -0.2604 -0.2604 -0.1032 -0.1032 -0.0315 -0.0315 0.1432 0.1432 0.1589 0.1589 0.1973 0.1973 0.2251 0.2251 2.7985 2.7985 3.4456 3.4456 k = 0.3214 0.1856 0.1312 ( 8724 PWs) bands (ev): -16.0135 -16.0135 -13.7818 -13.7818 -13.6452 -13.6452 -13.6369 -13.6369 -13.2611 -13.2611 -13.2610 -13.2610 -11.7529 -11.7529 -11.7122 -11.7122 -11.1659 -11.1659 -5.0508 -5.0508 -4.7508 -4.7508 -4.6670 -4.6670 -2.2973 -2.2973 -2.2562 -2.2562 -2.1930 -2.1930 -1.7118 -1.7118 -1.7043 -1.7043 -1.3730 -1.3730 -1.2996 -1.2996 -1.2903 -1.2903 -0.8402 -0.8402 -0.8136 -0.8136 -0.7109 -0.7109 -0.4297 -0.4297 -0.3582 -0.3582 -0.3163 -0.3163 -0.2697 -0.2697 -0.1263 -0.1263 -0.0511 -0.0511 0.1425 0.1425 0.1590 0.1590 0.1948 0.1948 0.2224 0.2224 2.7734 2.7734 3.4702 3.4702 k = 0.3393 0.1959 0.1385 ( 8718 PWs) bands (ev): -16.0117 -16.0117 -13.7888 -13.7888 -13.6425 -13.6425 -13.6342 -13.6342 -13.2645 -13.2645 -13.2644 -13.2644 -11.7502 -11.7502 -11.7117 -11.7117 -11.1614 -11.1614 -5.0597 -5.0597 -4.7395 -4.7395 -4.6540 -4.6540 -2.2816 -2.2816 -2.2371 -2.2371 -2.1689 -2.1689 -1.7253 -1.7253 -1.7166 -1.7166 -1.3869 -1.3869 -1.3319 -1.3319 -1.3148 -1.3148 -0.8281 -0.8281 -0.7991 -0.7991 -0.6992 -0.6992 -0.4430 -0.4430 -0.3783 -0.3783 -0.3075 -0.3075 -0.2671 -0.2671 -0.1475 -0.1475 -0.0697 -0.0697 0.1419 0.1419 0.1592 0.1592 0.1923 0.1923 0.2196 0.2196 2.7491 2.7491 3.4936 3.4936 k = 0.3571 0.2062 0.1458 ( 8736 PWs) bands (ev): -16.0099 -16.0099 -13.7952 -13.7952 -13.6400 -13.6400 -13.6316 -13.6316 -13.2677 -13.2677 -13.2677 -13.2677 -11.7479 -11.7479 -11.7111 -11.7111 -11.1572 -11.1572 -5.0681 -5.0681 -4.7288 -4.7288 -4.6418 -4.6418 -2.2672 -2.2672 -2.2193 -2.2193 -2.1455 -2.1455 -1.7355 -1.7355 -1.7255 -1.7255 -1.4041 -1.4041 -1.3645 -1.3645 -1.3364 -1.3364 -0.8154 -0.8154 -0.7844 -0.7844 -0.6876 -0.6876 -0.4589 -0.4589 -0.3982 -0.3982 -0.3138 -0.3138 -0.2503 -0.2503 -0.1660 -0.1660 -0.0871 -0.0871 0.1415 0.1415 0.1596 0.1596 0.1899 0.1899 0.2168 0.2168 2.7260 2.7260 3.5155 3.5155 k = 0.3750 0.2165 0.1531 ( 8730 PWs) bands (ev): -16.0084 -16.0084 -13.8010 -13.8010 -13.6376 -13.6376 -13.6292 -13.6292 -13.2707 -13.2707 -13.2707 -13.2707 -11.7460 -11.7460 -11.7105 -11.7105 -11.1532 -11.1532 -5.0759 -5.0759 -4.7187 -4.7187 -4.6304 -4.6304 -2.2542 -2.2542 -2.2032 -2.2032 -2.1231 -2.1231 -1.7422 -1.7422 -1.7308 -1.7308 -1.4254 -1.4254 -1.3971 -1.3971 -1.3538 -1.3538 -0.8024 -0.8024 -0.7696 -0.7696 -0.6762 -0.6762 -0.4755 -0.4755 -0.4176 -0.4176 -0.3247 -0.3247 -0.2334 -0.2334 -0.1796 -0.1796 -0.1026 -0.1026 0.1412 0.1412 0.1601 0.1601 0.1876 0.1876 0.2142 0.2142 2.7045 2.7045 3.5355 3.5355 k = 0.3929 0.2268 0.1604 ( 8730 PWs) bands (ev): -16.0069 -16.0069 -13.8062 -13.8062 -13.6355 -13.6355 -13.6270 -13.6270 -13.2735 -13.2735 -13.2734 -13.2734 -11.7444 -11.7444 -11.7098 -11.7098 -11.1497 -11.1497 -5.0829 -5.0829 -4.7096 -4.7096 -4.6202 -4.6202 -2.2431 -2.2431 -2.1891 -2.1891 -2.1022 -2.1022 -1.7449 -1.7449 -1.7321 -1.7321 -1.4500 -1.4500 -1.4293 -1.4293 -1.3674 -1.3674 -0.7893 -0.7893 -0.7549 -0.7549 -0.6651 -0.6651 -0.4920 -0.4920 -0.4362 -0.4362 -0.3363 -0.3363 -0.2266 -0.2266 -0.1834 -0.1834 -0.1151 -0.1151 0.1411 0.1411 0.1607 0.1607 0.1854 0.1854 0.2117 0.2117 2.6850 2.6850 3.5534 3.5534 k = 0.4107 0.2371 0.1677 ( 8724 PWs) bands (ev): -16.0057 -16.0057 -13.8107 -13.8107 -13.6336 -13.6336 -13.6251 -13.6251 -13.2759 -13.2759 -13.2758 -13.2758 -11.7432 -11.7432 -11.7092 -11.7092 -11.1466 -11.1466 -5.0890 -5.0890 -4.7015 -4.7015 -4.6112 -4.6112 -2.2340 -2.2340 -2.1773 -2.1773 -2.0832 -2.0832 -1.7438 -1.7438 -1.7295 -1.7295 -1.4762 -1.4762 -1.4606 -1.4606 -1.3780 -1.3780 -0.7766 -0.7766 -0.7407 -0.7407 -0.6548 -0.6548 -0.5079 -0.5079 -0.4537 -0.4537 -0.3475 -0.3475 -0.2313 -0.2313 -0.1789 -0.1789 -0.1227 -0.1227 0.1411 0.1411 0.1613 0.1613 0.1835 0.1835 0.2094 0.2094 2.6678 2.6678 3.5690 3.5690 k = 0.4286 0.2474 0.1750 ( 8724 PWs) bands (ev): -16.0047 -16.0047 -13.8145 -13.8145 -13.6319 -13.6319 -13.6235 -13.6235 -13.2779 -13.2779 -13.2778 -13.2778 -11.7422 -11.7422 -11.7085 -11.7085 -11.1440 -11.1440 -5.0941 -5.0941 -4.6947 -4.6947 -4.6036 -4.6036 -2.2267 -2.2267 -2.1680 -2.1680 -2.0667 -2.0667 -1.7392 -1.7392 -1.7234 -1.7234 -1.5023 -1.5023 -1.4904 -1.4904 -1.3864 -1.3864 -0.7646 -0.7646 -0.7275 -0.7275 -0.6455 -0.6455 -0.5225 -0.5225 -0.4696 -0.4696 -0.3576 -0.3576 -0.2393 -0.2393 -0.1763 -0.1763 -0.1235 -0.1235 0.1412 0.1412 0.1620 0.1620 0.1818 0.1818 0.2074 0.2074 2.6533 2.6533 3.5820 3.5820 k = 0.4464 0.2577 0.1823 ( 8724 PWs) bands (ev): -16.0039 -16.0039 -13.8175 -13.8175 -13.6307 -13.6307 -13.6222 -13.6222 -13.2795 -13.2795 -13.2794 -13.2794 -11.7416 -11.7416 -11.7080 -11.7080 -11.1420 -11.1420 -5.0982 -5.0982 -4.6892 -4.6892 -4.5976 -4.5976 -2.2214 -2.2214 -2.1610 -2.1610 -2.0532 -2.0532 -1.7319 -1.7319 -1.7146 -1.7146 -1.5267 -1.5267 -1.5176 -1.5176 -1.3930 -1.3930 -0.7540 -0.7540 -0.7158 -0.7158 -0.6376 -0.6376 -0.5353 -0.5353 -0.4834 -0.4834 -0.3661 -0.3661 -0.2467 -0.2467 -0.1783 -0.1783 -0.1191 -0.1191 0.1414 0.1414 0.1626 0.1626 0.1804 0.1804 0.2057 0.2057 2.6417 2.6417 3.5923 3.5923 k = 0.4643 0.2681 0.1895 ( 8712 PWs) bands (ev): -16.0033 -16.0033 -13.8196 -13.8196 -13.6297 -13.6297 -13.6212 -13.6212 -13.2806 -13.2806 -13.2806 -13.2806 -11.7411 -11.7411 -11.7076 -11.7076 -11.1405 -11.1405 -5.1011 -5.1011 -4.6853 -4.6853 -4.5932 -4.5932 -2.2177 -2.2177 -2.1562 -2.1562 -2.0431 -2.0431 -1.7236 -1.7236 -1.7046 -1.7046 -1.5473 -1.5473 -1.5407 -1.5407 -1.3978 -1.3978 -0.7455 -0.7455 -0.7064 -0.7064 -0.6316 -0.6316 -0.5454 -0.5454 -0.4943 -0.4943 -0.3726 -0.3726 -0.2523 -0.2523 -0.1819 -0.1819 -0.1135 -0.1135 0.1415 0.1415 0.1631 0.1631 0.1794 0.1794 0.2045 0.2045 2.6332 2.6332 3.5998 3.5998 k = 0.4821 0.2784 0.1968 ( 8724 PWs) bands (ev): -16.0029 -16.0029 -13.8209 -13.8209 -13.6292 -13.6292 -13.6206 -13.6206 -13.2814 -13.2814 -13.2813 -13.2813 -11.7408 -11.7408 -11.7073 -11.7073 -11.1396 -11.1396 -5.1029 -5.1029 -4.6829 -4.6829 -4.5905 -4.5905 -2.2156 -2.2156 -2.1535 -2.1535 -2.0369 -2.0369 -1.7166 -1.7166 -1.6962 -1.6962 -1.5616 -1.5616 -1.5570 -1.5570 -1.4008 -1.4008 -0.7400 -0.7400 -0.7003 -0.7003 -0.6277 -0.6277 -0.5520 -0.5520 -0.5013 -0.5013 -0.3766 -0.3766 -0.2557 -0.2557 -0.1847 -0.1847 -0.1094 -0.1094 0.1416 0.1416 0.1634 0.1634 0.1787 0.1787 0.2037 0.2037 2.6281 2.6281 3.6043 3.6043 k = 0.5000 0.2887 0.2041 ( 8694 PWs) bands (ev): -16.0028 -16.0028 -13.8214 -13.8214 -13.6290 -13.6290 -13.6205 -13.6205 -13.2816 -13.2816 -13.2816 -13.2816 -11.7407 -11.7407 -11.7072 -11.7072 -11.1392 -11.1392 -5.1035 -5.1035 -4.6821 -4.6821 -4.5897 -4.5897 -2.2149 -2.2149 -2.1526 -2.1526 -2.0348 -2.0348 -1.7138 -1.7138 -1.6927 -1.6927 -1.5669 -1.5669 -1.5631 -1.5631 -1.4018 -1.4018 -0.7380 -0.7380 -0.6981 -0.6981 -0.6264 -0.6264 -0.5543 -0.5543 -0.5037 -0.5037 -0.3780 -0.3780 -0.2568 -0.2568 -0.1857 -0.1857 -0.1079 -0.1079 0.1417 0.1417 0.1635 0.1635 0.1785 0.1785 0.2034 0.2034 2.6263 2.6263 3.6058 3.6058 k = 0.5000 0.2887 0.2041 ( 8694 PWs) bands (ev): -16.0028 -16.0028 -13.8214 -13.8214 -13.6290 -13.6290 -13.6205 -13.6205 -13.2816 -13.2816 -13.2816 -13.2816 -11.7407 -11.7407 -11.7072 -11.7072 -11.1392 -11.1392 -5.1035 -5.1035 -4.6821 -4.6821 -4.5897 -4.5897 -2.2149 -2.2149 -2.1526 -2.1526 -2.0348 -2.0348 -1.7138 -1.7138 -1.6927 -1.6927 -1.5669 -1.5669 -1.5631 -1.5631 -1.4018 -1.4018 -0.7380 -0.7380 -0.6981 -0.6981 -0.6264 -0.6264 -0.5543 -0.5543 -0.5037 -0.5037 -0.3780 -0.3780 -0.2568 -0.2568 -0.1857 -0.1857 -0.1079 -0.1079 0.1417 0.1417 0.1635 0.1635 0.1785 0.1785 0.2034 0.2034 2.6263 2.6263 3.6058 3.6058 k = 0.5062 0.2706 0.2143 ( 8722 PWs) bands (ev): -16.0027 -16.0027 -13.8211 -13.8211 -13.6292 -13.6292 -13.6207 -13.6207 -13.2818 -13.2818 -13.2814 -13.2814 -11.7406 -11.7406 -11.7073 -11.7073 -11.1391 -11.1391 -5.1026 -5.1026 -4.6824 -4.6824 -4.5900 -4.5900 -2.2142 -2.2142 -2.1518 -2.1518 -2.0344 -2.0344 -1.7161 -1.7161 -1.6950 -1.6950 -1.5644 -1.5644 -1.5607 -1.5607 -1.4009 -1.4009 -0.7397 -0.7397 -0.6998 -0.6998 -0.6287 -0.6287 -0.5546 -0.5546 -0.5044 -0.5044 -0.3785 -0.3785 -0.2563 -0.2563 -0.1844 -0.1844 -0.1061 -0.1061 0.1409 0.1409 0.1620 0.1620 0.1790 0.1790 0.2031 0.2031 2.6290 2.6290 3.6053 3.6053 k = 0.5125 0.2526 0.2245 ( 8718 PWs) bands (ev): -16.0026 -16.0026 -13.8202 -13.8202 -13.6300 -13.6300 -13.6214 -13.6214 -13.2824 -13.2824 -13.2810 -13.2810 -11.7401 -11.7401 -11.7073 -11.7073 -11.1387 -11.1387 -5.1000 -5.1000 -4.6833 -4.6833 -4.5910 -4.5910 -2.2122 -2.2122 -2.1497 -2.1497 -2.0333 -2.0333 -1.7227 -1.7227 -1.7010 -1.7010 -1.5576 -1.5576 -1.5536 -1.5536 -1.3983 -1.3983 -0.7451 -0.7451 -0.7046 -0.7046 -0.6351 -0.6351 -0.5567 -0.5567 -0.5057 -0.5057 -0.3797 -0.3797 -0.2548 -0.2548 -0.1805 -0.1805 -0.1007 -0.1007 0.1386 0.1386 0.1580 0.1580 0.1797 0.1797 0.2022 0.2022 2.6370 2.6370 3.6037 3.6037 k = 0.5188 0.2345 0.2347 ( 8728 PWs) bands (ev): -16.0023 -16.0023 -13.8188 -13.8188 -13.6313 -13.6313 -13.6225 -13.6225 -13.2835 -13.2835 -13.2803 -13.2803 -11.7394 -11.7394 -11.7075 -11.7075 -11.1380 -11.1380 -5.0957 -5.0957 -4.6848 -4.6848 -4.5926 -4.5926 -2.2088 -2.2088 -2.1460 -2.1460 -2.0315 -2.0315 -1.7334 -1.7334 -1.7091 -1.7091 -1.5477 -1.5477 -1.5428 -1.5428 -1.3941 -1.3941 -0.7548 -0.7548 -0.7118 -0.7118 -0.6444 -0.6444 -0.5626 -0.5626 -0.5062 -0.5062 -0.3817 -0.3817 -0.2523 -0.2523 -0.1743 -0.1743 -0.0922 -0.0922 0.1347 0.1347 0.1527 0.1527 0.1796 0.1796 0.2011 0.2011 2.6502 2.6502 3.6011 3.6011 k = 0.5250 0.2165 0.2449 ( 8721 PWs) bands (ev): -16.0019 -16.0019 -13.8168 -13.8168 -13.6332 -13.6332 -13.6239 -13.6239 -13.2849 -13.2849 -13.2794 -13.2794 -11.7385 -11.7385 -11.7076 -11.7076 -11.1371 -11.1371 -5.0898 -5.0898 -4.6868 -4.6868 -4.5949 -4.5949 -2.2044 -2.2044 -2.1409 -2.1409 -2.0289 -2.0289 -1.7474 -1.7474 -1.7178 -1.7178 -1.5357 -1.5357 -1.5291 -1.5291 -1.3881 -1.3881 -0.7693 -0.7693 -0.7209 -0.7209 -0.6551 -0.6551 -0.5737 -0.5737 -0.5048 -0.5048 -0.3842 -0.3842 -0.2489 -0.2489 -0.1663 -0.1663 -0.0810 -0.0810 0.1288 0.1288 0.1467 0.1467 0.1779 0.1779 0.2001 0.2001 2.6683 2.6683 3.5975 3.5975 k = 0.5312 0.1985 0.2552 ( 8723 PWs) bands (ev): -16.0015 -16.0015 -13.8143 -13.8143 -13.6358 -13.6358 -13.6255 -13.6255 -13.2868 -13.2868 -13.2782 -13.2782 -11.7373 -11.7373 -11.7078 -11.7078 -11.1360 -11.1360 -5.0823 -5.0823 -4.6895 -4.6895 -4.5977 -4.5977 -2.1990 -2.1990 -2.1342 -2.1342 -2.0255 -2.0255 -1.7640 -1.7640 -1.7265 -1.7265 -1.5223 -1.5223 -1.5136 -1.5136 -1.3805 -1.3805 -0.7886 -0.7886 -0.7324 -0.7324 -0.6658 -0.6658 -0.5894 -0.5894 -0.5023 -0.5023 -0.3869 -0.3869 -0.2446 -0.2446 -0.1569 -0.1569 -0.0677 -0.0677 0.1209 0.1209 0.1408 0.1408 0.1742 0.1742 0.1996 0.1996 2.6909 2.6909 3.5928 3.5928 k = 0.5375 0.1804 0.2654 ( 8721 PWs) bands (ev): -16.0009 -16.0009 -13.8113 -13.8113 -13.6390 -13.6390 -13.6273 -13.6273 -13.2890 -13.2890 -13.2767 -13.2767 -11.7359 -11.7359 -11.7080 -11.7080 -11.1346 -11.1346 -5.0734 -5.0734 -4.6927 -4.6927 -4.6010 -4.6010 -2.1932 -2.1932 -2.1259 -2.1259 -2.0211 -2.0211 -1.7823 -1.7823 -1.7348 -1.7348 -1.5081 -1.5081 -1.4967 -1.4967 -1.3712 -1.3712 -0.8118 -0.8118 -0.7470 -0.7470 -0.6754 -0.6754 -0.6087 -0.6087 -0.4997 -0.4997 -0.3893 -0.3893 -0.2394 -0.2394 -0.1465 -0.1465 -0.0532 -0.0532 0.1112 0.1112 0.1350 0.1350 0.1684 0.1684 0.1996 0.1996 2.7177 2.7177 3.5872 3.5872 k = 0.5437 0.1624 0.2756 ( 8721 PWs) bands (ev): -16.0003 -16.0003 -13.8077 -13.8077 -13.6429 -13.6429 -13.6292 -13.6292 -13.2917 -13.2917 -13.2751 -13.2751 -11.7343 -11.7343 -11.7083 -11.7083 -11.1330 -11.1330 -5.0630 -5.0630 -4.6964 -4.6964 -4.6047 -4.6047 -2.1871 -2.1871 -2.1160 -2.1160 -2.0159 -2.0159 -1.8016 -1.8016 -1.7427 -1.7427 -1.4934 -1.4934 -1.4786 -1.4786 -1.3604 -1.3604 -0.8384 -0.8384 -0.7650 -0.7650 -0.6835 -0.6835 -0.6305 -0.6305 -0.4981 -0.4981 -0.3910 -0.3910 -0.2335 -0.2335 -0.1355 -0.1355 -0.0380 -0.0380 0.1003 0.1003 0.1293 0.1293 0.1608 0.1608 0.1998 0.1998 2.7480 2.7480 3.5805 3.5805 k = 0.5500 0.1443 0.2858 ( 8711 PWs) bands (ev): -15.9997 -15.9997 -13.8037 -13.8037 -13.6473 -13.6473 -13.6311 -13.6311 -13.2947 -13.2947 -13.2732 -13.2732 -11.7326 -11.7326 -11.7086 -11.7086 -11.1312 -11.1312 -5.0515 -5.0515 -4.7006 -4.7006 -4.6088 -4.6088 -2.1813 -2.1813 -2.1043 -2.1043 -2.0097 -2.0097 -1.8214 -1.8214 -1.7498 -1.7498 -1.4786 -1.4786 -1.4596 -1.4596 -1.3480 -1.3480 -0.8674 -0.8674 -0.7863 -0.7863 -0.6905 -0.6905 -0.6537 -0.6537 -0.4983 -0.4983 -0.3913 -0.3913 -0.2269 -0.2269 -0.1241 -0.1241 -0.0232 -0.0232 0.0890 0.0890 0.1235 0.1235 0.1519 0.1519 0.2001 0.2001 2.7813 2.7813 3.5731 3.5731 k = 0.5563 0.1263 0.2960 ( 8727 PWs) bands (ev): -15.9989 -15.9989 -13.7992 -13.7992 -13.6521 -13.6521 -13.6332 -13.6332 -13.2980 -13.2980 -13.2711 -13.2711 -11.7308 -11.7308 -11.7089 -11.7089 -11.1293 -11.1293 -5.0389 -5.0389 -4.7052 -4.7052 -4.6132 -4.6132 -2.1761 -2.1761 -2.0909 -2.0909 -2.0030 -2.0030 -1.8411 -1.8411 -1.7563 -1.7563 -1.4637 -1.4637 -1.4398 -1.4398 -1.3343 -1.3343 -0.8984 -0.8984 -0.8104 -0.8104 -0.6974 -0.6974 -0.6771 -0.6771 -0.5008 -0.5008 -0.3899 -0.3899 -0.2197 -0.2197 -0.1126 -0.1126 -0.0101 -0.0101 0.0784 0.0784 0.1176 0.1176 0.1420 0.1420 0.2003 0.2003 2.8171 2.8171 3.5649 3.5649 k = 0.5625 0.1083 0.3062 ( 8719 PWs) bands (ev): -15.9982 -15.9982 -13.7943 -13.7943 -13.6573 -13.6573 -13.6353 -13.6353 -13.3017 -13.3017 -13.2689 -13.2689 -11.7289 -11.7289 -11.7092 -11.7092 -11.1273 -11.1273 -5.0254 -5.0254 -4.7101 -4.7101 -4.6178 -4.6178 -2.1720 -2.1720 -2.0756 -2.0756 -1.9960 -1.9960 -1.8600 -1.8600 -1.7618 -1.7618 -1.4490 -1.4490 -1.4194 -1.4194 -1.3193 -1.3193 -0.9309 -0.9309 -0.8367 -0.8367 -0.7099 -0.7099 -0.6946 -0.6946 -0.5060 -0.5060 -0.3865 -0.3865 -0.2120 -0.2120 -0.1012 -0.1012 -0.0008 -0.0008 0.0705 0.0705 0.1113 0.1113 0.1317 0.1317 0.2003 0.2003 2.8545 2.8545 3.5561 3.5561 k = 0.5687 0.0902 0.3164 ( 8720 PWs) bands (ev): -15.9974 -15.9974 -13.7890 -13.7890 -13.6627 -13.6627 -13.6376 -13.6376 -13.3057 -13.3057 -13.2665 -13.2665 -11.7271 -11.7271 -11.7095 -11.7095 -11.1253 -11.1253 -5.0113 -5.0113 -4.7151 -4.7151 -4.6226 -4.6226 -2.1691 -2.1691 -2.0587 -2.0587 -1.9899 -1.9899 -1.8768 -1.8768 -1.7665 -1.7665 -1.4343 -1.4343 -1.3986 -1.3986 -1.3031 -1.3031 -0.9644 -0.9644 -0.8648 -0.8648 -0.7321 -0.7321 -0.7021 -0.7021 -0.5136 -0.5136 -0.3813 -0.3813 -0.2041 -0.2041 -0.0900 -0.0900 0.0018 0.0018 0.0679 0.0679 0.1048 0.1048 0.1218 0.1218 0.2001 0.2001 2.8929 2.8929 3.5471 3.5471 k = 0.5750 0.0722 0.3266 ( 8722 PWs) bands (ev): -15.9966 -15.9966 -13.7834 -13.7834 -13.6682 -13.6682 -13.6399 -13.6399 -13.3099 -13.3099 -13.2640 -13.2640 -11.7252 -11.7252 -11.7098 -11.7098 -11.1231 -11.1231 -4.9968 -4.9968 -4.7201 -4.7201 -4.6276 -4.6276 -2.1676 -2.1676 -2.0408 -2.0408 -1.9861 -1.9861 -1.8892 -1.8892 -1.7702 -1.7702 -1.4199 -1.4199 -1.3775 -1.3775 -1.2859 -1.2859 -0.9985 -0.9985 -0.8943 -0.8943 -0.7560 -0.7560 -0.7071 -0.7071 -0.5234 -0.5234 -0.3744 -0.3744 -0.1960 -0.1960 -0.0795 -0.0795 -0.0029 -0.0029 0.0700 0.0700 0.0985 0.0985 0.1133 0.1133 0.1996 0.1996 2.9316 2.9316 3.5379 3.5379 k = 0.5813 0.0541 0.3368 ( 8717 PWs) bands (ev): -15.9958 -15.9958 -13.7775 -13.7775 -13.6738 -13.6738 -13.6422 -13.6422 -13.3143 -13.3143 -13.2614 -13.2614 -11.7235 -11.7235 -11.7100 -11.7100 -11.1210 -11.1210 -4.9823 -4.9823 -4.7249 -4.7249 -4.6327 -4.6327 -2.1677 -2.1677 -2.0239 -2.0239 -1.9855 -1.9855 -1.8947 -1.8947 -1.7729 -1.7729 -1.4057 -1.4057 -1.3563 -1.3563 -1.2679 -1.2679 -1.0327 -1.0327 -0.9248 -0.9248 -0.7794 -0.7794 -0.7117 -0.7117 -0.5350 -0.5350 -0.3662 -0.3662 -0.1880 -0.1880 -0.0704 -0.0704 -0.0114 -0.0114 0.0702 0.0702 0.0961 0.0961 0.1069 0.1069 0.1989 0.1989 2.9697 2.9697 3.5291 3.5291 k = 0.5875 0.0361 0.3470 ( 8713 PWs) bands (ev): -15.9951 -15.9951 -13.7713 -13.7713 -13.6794 -13.6794 -13.6447 -13.6447 -13.3189 -13.3189 -13.2587 -13.2587 -11.7220 -11.7220 -11.7101 -11.7101 -11.1190 -11.1190 -4.9681 -4.9681 -4.7293 -4.7293 -4.6378 -4.6378 -2.1693 -2.1693 -2.0158 -2.0158 -1.9811 -1.9811 -1.8925 -1.8925 -1.7746 -1.7746 -1.3921 -1.3921 -1.3354 -1.3354 -1.2491 -1.2491 -1.0666 -1.0666 -0.9556 -0.9556 -0.8015 -0.8015 -0.7163 -0.7163 -0.5481 -0.5481 -0.3571 -0.3571 -0.1804 -0.1804 -0.0643 -0.0643 -0.0195 -0.0195 0.0639 0.0639 0.0967 0.0967 0.1059 0.1059 0.1979 0.1979 3.0063 3.0063 3.5210 3.5210 k = 0.5938 0.0180 0.3572 ( 8706 PWs) bands (ev): -15.9944 -15.9944 -13.7651 -13.7651 -13.6847 -13.6847 -13.6471 -13.6471 -13.3237 -13.3237 -13.2559 -13.2559 -11.7206 -11.7206 -11.7101 -11.7101 -11.1171 -11.1171 -4.9545 -4.9545 -4.7330 -4.7330 -4.6429 -4.6429 -2.1724 -2.1724 -2.0235 -2.0235 -1.9646 -1.9646 -1.8844 -1.8844 -1.7751 -1.7751 -1.3793 -1.3793 -1.3151 -1.3151 -1.2301 -1.2301 -1.0993 -1.0993 -0.9861 -0.9861 -0.8220 -0.8220 -0.7209 -0.7209 -0.5622 -0.5622 -0.3472 -0.3472 -0.1735 -0.1735 -0.0648 -0.0648 -0.0223 -0.0223 0.0546 0.0546 0.0933 0.0933 0.1128 0.1128 0.1968 0.1968 3.0407 3.0407 3.5141 3.5141 k = 0.6000-0.0000 0.3674 ( 8712 PWs) bands (ev): -15.9937 -15.9937 -13.7589 -13.7589 -13.6897 -13.6897 -13.6496 -13.6496 -13.3285 -13.3285 -13.2531 -13.2531 -11.7196 -11.7196 -11.7100 -11.7100 -11.1153 -11.1153 -4.9420 -4.9420 -4.7360 -4.7360 -4.6480 -4.6480 -2.1771 -2.1771 -2.0380 -2.0380 -1.9430 -1.9430 -1.8728 -1.8728 -1.7744 -1.7744 -1.3679 -1.3679 -1.2963 -1.2963 -1.2118 -1.2118 -1.1292 -1.1292 -1.0156 -1.0156 -0.8405 -0.8405 -0.7258 -0.7258 -0.5772 -0.5772 -0.3367 -0.3367 -0.1677 -0.1677 -0.0723 -0.0723 -0.0183 -0.0183 0.0451 0.0451 0.0894 0.0894 0.1211 0.1211 0.1954 0.1954 3.0719 3.0719 3.5087 3.5087 k = 0.6062-0.0180 0.3776 ( 8704 PWs) bands (ev): -15.9932 -15.9932 -13.7528 -13.7528 -13.6942 -13.6942 -13.6520 -13.6520 -13.3333 -13.3333 -13.2503 -13.2503 -11.7188 -11.7188 -11.7097 -11.7097 -11.1137 -11.1137 -4.9309 -4.9309 -4.7378 -4.7378 -4.6530 -4.6530 -2.1832 -2.1832 -2.0543 -2.0543 -1.9201 -1.9201 -1.8594 -1.8594 -1.7720 -1.7720 -1.3587 -1.3587 -1.2800 -1.2800 -1.1980 -1.1980 -1.1514 -1.1514 -1.0425 -1.0425 -0.8566 -0.8566 -0.7308 -0.7308 -0.5928 -0.5928 -0.3258 -0.3258 -0.1634 -0.1634 -0.0830 -0.0830 -0.0111 -0.0111 0.0368 0.0368 0.0858 0.0858 0.1286 0.1286 0.1938 0.1938 3.0992 3.0992 3.5052 3.5052 k = 0.6125-0.0361 0.3878 ( 8712 PWs) bands (ev): -15.9927 -15.9927 -13.7471 -13.7471 -13.6979 -13.6979 -13.6545 -13.6545 -13.3380 -13.3380 -13.2475 -13.2475 -11.7183 -11.7183 -11.7093 -11.7093 -11.1123 -11.1123 -4.9216 -4.9216 -4.7386 -4.7386 -4.6577 -4.6577 -2.1906 -2.1906 -2.0707 -2.0707 -1.8980 -1.8980 -1.8454 -1.8454 -1.7674 -1.7674 -1.3532 -1.3532 -1.2683 -1.2683 -1.2006 -1.2006 -1.1524 -1.1524 -1.0647 -1.0647 -0.8700 -0.8700 -0.7361 -0.7361 -0.6086 -0.6086 -0.3147 -0.3147 -0.1610 -0.1610 -0.0942 -0.0942 -0.0030 -0.0030 0.0305 0.0305 0.0829 0.0829 0.1348 0.1348 0.1921 0.1921 3.1220 3.1220 3.5037 3.5037 k = 0.6188-0.0541 0.3980 ( 8710 PWs) bands (ev): -15.9923 -15.9923 -13.7420 -13.7420 -13.7006 -13.7006 -13.6569 -13.6569 -13.3426 -13.3426 -13.2447 -13.2447 -11.7181 -11.7181 -11.7089 -11.7089 -11.1112 -11.1112 -4.9141 -4.9141 -4.7385 -4.7385 -4.6620 -4.6620 -2.1988 -2.1988 -2.0867 -2.0867 -1.8781 -1.8781 -1.8318 -1.8318 -1.7596 -1.7596 -1.3534 -1.3534 -1.2637 -1.2637 -1.2128 -1.2128 -1.1371 -1.1371 -1.0791 -1.0791 -0.8804 -0.8804 -0.7417 -0.7417 -0.6246 -0.6246 -0.3033 -0.3033 -0.1610 -0.1610 -0.1044 -0.1044 0.0045 0.0045 0.0272 0.0272 0.0805 0.0805 0.1394 0.1394 0.1902 0.1902 3.1400 3.1400 3.5039 3.5039 k = 0.6250-0.0722 0.4082 ( 8700 PWs) bands (ev): -15.9921 -15.9921 -13.7381 -13.7381 -13.7020 -13.7020 -13.6592 -13.6592 -13.3469 -13.3469 -13.2419 -13.2419 -11.7180 -11.7180 -11.7085 -11.7085 -11.1104 -11.1104 -4.9087 -4.9087 -4.7377 -4.7377 -4.6656 -4.6656 -2.2074 -2.2074 -2.1018 -2.1018 -1.8622 -1.8622 -1.8194 -1.8194 -1.7474 -1.7474 -1.3606 -1.3606 -1.2667 -1.2667 -1.2221 -1.2221 -1.1188 -1.1188 -1.0829 -1.0829 -0.8876 -0.8876 -0.7476 -0.7476 -0.6404 -0.6404 -0.2919 -0.2919 -0.1635 -0.1635 -0.1128 -0.1128 0.0099 0.0099 0.0279 0.0279 0.0788 0.0788 0.1423 0.1423 0.1881 0.1881 3.1532 3.1532 3.5051 3.5051 k = 0.6250-0.0722 0.4082 ( 8700 PWs) bands (ev): -15.9921 -15.9921 -13.7381 -13.7381 -13.7020 -13.7020 -13.6592 -13.6592 -13.3469 -13.3469 -13.2419 -13.2419 -11.7180 -11.7180 -11.7085 -11.7085 -11.1104 -11.1104 -4.9087 -4.9087 -4.7377 -4.7377 -4.6656 -4.6656 -2.2074 -2.2074 -2.1018 -2.1018 -1.8622 -1.8622 -1.8194 -1.8194 -1.7474 -1.7474 -1.3606 -1.3606 -1.2667 -1.2667 -1.2221 -1.2221 -1.1188 -1.1188 -1.0829 -1.0829 -0.8876 -0.8876 -0.7476 -0.7476 -0.6404 -0.6404 -0.2919 -0.2919 -0.1635 -0.1635 -0.1128 -0.1128 0.0099 0.0099 0.0279 0.0279 0.0788 0.0788 0.1423 0.1423 0.1881 0.1881 3.1532 3.1532 3.5051 3.5051 k = 0.6146-0.0662 0.4253 ( 8706 PWs) bands (ev): -15.9921 -15.9921 -13.7379 -13.7379 -13.7019 -13.7019 -13.6596 -13.6596 -13.3467 -13.3467 -13.2421 -13.2421 -11.7180 -11.7180 -11.7086 -11.7086 -11.1104 -11.1104 -4.9082 -4.9082 -4.7378 -4.7378 -4.6661 -4.6661 -2.2063 -2.2063 -2.1014 -2.1014 -1.8673 -1.8673 -1.8144 -1.8144 -1.7479 -1.7479 -1.3626 -1.3626 -1.2648 -1.2648 -1.2239 -1.2239 -1.1185 -1.1185 -1.0807 -1.0807 -0.8889 -0.8889 -0.7500 -0.7500 -0.6382 -0.6382 -0.2933 -0.2933 -0.1631 -0.1631 -0.1125 -0.1125 0.0103 0.0103 0.0270 0.0270 0.0796 0.0796 0.1425 0.1425 0.1875 0.1875 3.1545 3.1545 3.5049 3.5049 k = 0.6042-0.0601 0.4423 ( 8702 PWs) bands (ev): -15.9920 -15.9920 -13.7372 -13.7372 -13.7018 -13.7018 -13.6609 -13.6609 -13.3458 -13.3458 -13.2427 -13.2427 -11.7178 -11.7178 -11.7087 -11.7087 -11.1103 -11.1103 -4.9068 -4.9068 -4.7379 -4.7379 -4.6673 -4.6673 -2.2029 -2.2029 -2.1003 -2.1003 -1.8785 -1.8785 -1.8034 -1.8034 -1.7492 -1.7492 -1.3677 -1.3677 -1.2605 -1.2605 -1.2279 -1.2279 -1.1176 -1.1176 -1.0747 -1.0747 -0.8927 -0.8927 -0.7571 -0.7571 -0.6318 -0.6318 -0.2973 -0.2973 -0.1618 -0.1618 -0.1115 -0.1115 0.0111 0.0111 0.0247 0.0247 0.0817 0.0817 0.1433 0.1433 0.1855 0.1855 3.1582 3.1582 3.5044 3.5044 k = 0.5938-0.0541 0.4593 ( 8693 PWs) bands (ev): -15.9920 -15.9920 -13.7361 -13.7361 -13.7017 -13.7017 -13.6629 -13.6629 -13.3444 -13.3444 -13.2437 -13.2437 -11.7175 -11.7175 -11.7088 -11.7088 -11.1101 -11.1101 -4.9045 -4.9045 -4.7382 -4.7382 -4.6693 -4.6693 -2.1974 -2.1974 -2.0984 -2.0984 -1.8919 -1.8919 -1.7909 -1.7909 -1.7510 -1.7510 -1.3745 -1.3745 -1.2595 -1.2595 -1.2292 -1.2292 -1.1158 -1.1158 -1.0661 -1.0661 -0.8985 -0.8985 -0.7686 -0.7686 -0.6215 -0.6215 -0.3038 -0.3038 -0.1597 -0.1597 -0.1098 -0.1098 0.0112 0.0112 0.0226 0.0226 0.0847 0.0847 0.1444 0.1444 0.1824 0.1824 3.1642 3.1642 3.5035 3.5035 k = 0.5833-0.0481 0.4763 ( 8698 PWs) bands (ev): -15.9919 -15.9919 -13.7345 -13.7345 -13.7014 -13.7014 -13.6656 -13.6656 -13.3426 -13.3426 -13.2450 -13.2450 -11.7171 -11.7171 -11.7090 -11.7090 -11.1099 -11.1099 -4.9016 -4.9016 -4.7384 -4.7384 -4.6720 -4.6720 -2.1899 -2.1899 -2.0957 -2.0957 -1.9061 -1.9061 -1.7796 -1.7796 -1.7520 -1.7520 -1.3815 -1.3815 -1.2668 -1.2668 -1.2227 -1.2227 -1.1130 -1.1130 -1.0558 -1.0558 -0.9057 -0.9057 -0.7844 -0.7844 -0.6082 -0.6082 -0.3128 -0.3128 -0.1571 -0.1571 -0.1075 -0.1075 0.0083 0.0083 0.0230 0.0230 0.0883 0.0883 0.1456 0.1456 0.1785 0.1785 3.1721 3.1721 3.5024 3.5024 k = 0.5729-0.0421 0.4933 ( 8702 PWs) bands (ev): -15.9917 -15.9917 -13.7326 -13.7326 -13.7011 -13.7011 -13.6689 -13.6689 -13.3404 -13.3404 -13.2467 -13.2467 -11.7166 -11.7166 -11.7093 -11.7093 -11.1096 -11.1096 -4.8980 -4.8980 -4.7387 -4.7387 -4.6752 -4.6752 -2.1806 -2.1806 -2.0924 -2.0924 -1.9206 -1.9206 -1.7741 -1.7741 -1.7483 -1.7483 -1.3879 -1.3879 -1.2796 -1.2796 -1.2114 -1.2114 -1.1094 -1.1094 -1.0448 -1.0448 -0.9134 -0.9134 -0.8037 -0.8037 -0.5923 -0.5923 -0.3241 -0.3241 -0.1540 -0.1540 -0.1046 -0.1046 0.0030 0.0030 0.0258 0.0258 0.0922 0.0922 0.1464 0.1464 0.1742 0.1742 3.1816 3.1816 3.5012 3.5012 k = 0.5625-0.0361 0.5103 ( 8717 PWs) bands (ev): -15.9916 -15.9916 -13.7303 -13.7303 -13.7008 -13.7008 -13.6727 -13.6727 -13.3380 -13.3380 -13.2485 -13.2485 -11.7161 -11.7161 -11.7096 -11.7096 -11.1093 -11.1093 -4.8941 -4.8941 -4.7389 -4.7389 -4.6789 -4.6789 -2.1700 -2.1700 -2.0883 -2.0883 -1.9352 -1.9352 -1.7762 -1.7762 -1.7384 -1.7384 -1.3928 -1.3928 -1.2945 -1.2945 -1.1984 -1.1984 -1.1051 -1.1051 -1.0336 -1.0336 -0.9212 -0.9212 -0.8259 -0.8259 -0.5747 -0.5747 -0.3374 -0.3374 -0.1506 -0.1506 -0.1011 -0.1011 -0.0035 -0.0035 0.0297 0.0297 0.0961 0.0961 0.1460 0.1460 0.1705 0.1705 3.1921 3.1921 3.5002 3.5002 k = 0.5521-0.0301 0.5273 ( 8716 PWs) bands (ev): -15.9915 -15.9915 -13.7277 -13.7277 -13.7004 -13.7004 -13.6769 -13.6769 -13.3355 -13.3355 -13.2505 -13.2505 -11.7155 -11.7155 -11.7100 -11.7100 -11.1090 -11.1090 -4.8900 -4.8900 -4.7389 -4.7389 -4.6828 -4.6828 -2.1585 -2.1585 -2.0834 -2.0834 -1.9498 -1.9498 -1.7817 -1.7817 -1.7264 -1.7264 -1.3961 -1.3961 -1.3101 -1.3101 -1.1845 -1.1845 -1.1003 -1.1003 -1.0225 -1.0225 -0.9286 -0.9286 -0.8503 -0.8503 -0.5556 -0.5556 -0.3525 -0.3525 -0.1472 -0.1472 -0.0973 -0.0973 -0.0104 -0.0104 0.0338 0.0338 0.1000 0.1000 0.1435 0.1435 0.1685 0.1685 3.2028 3.2028 3.4994 3.4994 k = 0.5417-0.0241 0.5443 ( 8714 PWs) bands (ev): -15.9913 -15.9913 -13.7248 -13.7248 -13.6999 -13.6999 -13.6813 -13.6813 -13.3331 -13.3331 -13.2524 -13.2524 -11.7148 -11.7148 -11.7104 -11.7104 -11.1087 -11.1087 -4.8861 -4.8861 -4.7386 -4.7386 -4.6868 -4.6868 -2.1469 -2.1469 -2.0775 -2.0775 -1.9644 -1.9644 -1.7884 -1.7884 -1.7147 -1.7147 -1.3975 -1.3975 -1.3254 -1.3254 -1.1704 -1.1704 -1.0956 -1.0956 -1.0121 -1.0121 -0.9352 -0.9352 -0.8758 -0.8758 -0.5357 -0.5357 -0.3692 -0.3692 -0.1440 -0.1440 -0.0932 -0.0932 -0.0173 -0.0173 0.0378 0.0378 0.1039 0.1039 0.1387 0.1387 0.1683 0.1683 3.2131 3.2131 3.4992 3.4992 k = 0.5312-0.0180 0.5613 ( 8724 PWs) bands (ev): -15.9912 -15.9912 -13.7218 -13.7218 -13.6995 -13.6995 -13.6857 -13.6857 -13.3309 -13.3309 -13.2542 -13.2542 -11.7142 -11.7142 -11.7109 -11.7109 -11.1084 -11.1084 -4.8827 -4.8827 -4.7381 -4.7381 -4.6905 -4.6905 -2.1363 -2.1363 -2.0702 -2.0702 -1.9788 -1.9788 -1.7952 -1.7952 -1.7042 -1.7042 -1.3973 -1.3973 -1.3395 -1.3395 -1.1564 -1.1564 -1.0916 -1.0916 -1.0028 -1.0028 -0.9408 -0.9408 -0.9006 -0.9006 -0.5153 -0.5153 -0.3871 -0.3871 -0.1411 -0.1411 -0.0890 -0.0890 -0.0238 -0.0238 0.0413 0.0413 0.1076 0.1076 0.1328 0.1328 0.1691 0.1691 3.2221 3.2221 3.4997 3.4997 k = 0.5208-0.0120 0.5784 ( 8722 PWs) bands (ev): -15.9911 -15.9911 -13.7189 -13.7189 -13.6992 -13.6992 -13.6896 -13.6896 -13.3292 -13.3292 -13.2556 -13.2556 -11.7135 -11.7135 -11.7113 -11.7113 -11.1081 -11.1081 -4.8801 -4.8801 -4.7373 -4.7373 -4.6938 -4.6938 -2.1280 -2.1280 -2.0614 -2.0614 -1.9926 -1.9926 -1.8011 -1.8011 -1.6959 -1.6959 -1.3959 -1.3959 -1.3515 -1.3515 -1.1426 -1.1426 -1.0896 -1.0896 -0.9955 -0.9955 -0.9453 -0.9453 -0.9220 -0.9220 -0.4948 -0.4948 -0.4059 -0.4059 -0.1388 -0.1388 -0.0853 -0.0853 -0.0293 -0.0293 0.0441 0.0441 0.1111 0.1111 0.1269 0.1269 0.1703 0.1703 3.2290 3.2290 3.5008 3.5008 k = 0.5104-0.0060 0.5954 ( 8736 PWs) bands (ev): -15.9910 -15.9910 -13.7166 -13.7166 -13.6992 -13.6992 -13.6924 -13.6924 -13.3281 -13.3281 -13.2566 -13.2566 -11.7129 -11.7129 -11.7118 -11.7118 -11.1080 -11.1080 -4.8784 -4.8784 -4.7366 -4.7366 -4.6961 -4.6961 -2.1229 -2.1229 -2.0519 -2.0519 -2.0046 -2.0046 -1.8052 -1.8052 -1.6904 -1.6904 -1.3943 -1.3943 -1.3597 -1.3597 -1.1301 -1.1301 -1.0909 -1.0909 -0.9916 -0.9916 -0.9488 -0.9488 -0.9356 -0.9356 -0.4754 -0.4754 -0.4243 -0.4243 -0.1373 -0.1373 -0.0825 -0.0825 -0.0332 -0.0332 0.0458 0.0458 0.1144 0.1144 0.1218 0.1218 0.1712 0.1712 3.2334 3.2334 3.5022 3.5022 k = 0.5000-0.0000 0.6124 ( 8728 PWs) bands (ev): -15.9910 -15.9910 -13.7156 -13.7156 -13.6994 -13.6994 -13.6934 -13.6934 -13.3277 -13.3277 -13.2569 -13.2569 -11.7124 -11.7124 -11.7123 -11.7123 -11.1079 -11.1079 -4.8778 -4.8778 -4.7362 -4.7362 -4.6969 -4.6969 -2.1212 -2.1212 -2.0468 -2.0468 -2.0105 -2.0105 -1.8068 -1.8068 -1.6884 -1.6884 -1.3936 -1.3936 -1.3626 -1.3626 -1.1232 -1.1232 -1.0937 -1.0937 -0.9911 -0.9911 -0.9504 -0.9504 -0.9394 -0.9394 -0.4639 -0.4639 -0.4355 -0.4355 -0.1368 -0.1368 -0.0814 -0.0814 -0.0346 -0.0346 0.0463 0.0463 0.1166 0.1166 0.1189 0.1189 0.1715 0.1715 3.2349 3.2349 3.5030 3.5030 k = 0.5000-0.0000 0.6124 ( 8728 PWs) bands (ev): -15.9910 -15.9910 -13.7156 -13.7156 -13.6994 -13.6994 -13.6934 -13.6934 -13.3277 -13.3277 -13.2569 -13.2569 -11.7124 -11.7124 -11.7123 -11.7123 -11.1079 -11.1079 -4.8778 -4.8778 -4.7362 -4.7362 -4.6969 -4.6969 -2.1212 -2.1212 -2.0468 -2.0468 -2.0105 -2.0105 -1.8068 -1.8068 -1.6884 -1.6884 -1.3936 -1.3936 -1.3626 -1.3626 -1.1232 -1.1232 -1.0937 -1.0937 -0.9911 -0.9911 -0.9504 -0.9504 -0.9394 -0.9394 -0.4639 -0.4639 -0.4355 -0.4355 -0.1368 -0.1368 -0.0814 -0.0814 -0.0346 -0.0346 0.0463 0.0463 0.1166 0.1166 0.1189 0.1189 0.1715 0.1715 3.2349 3.2349 3.5030 3.5030 k = 0.5000 0.0126 0.5946 ( 8740 PWs) bands (ev): -15.9911 -15.9911 -13.7179 -13.7179 -13.6986 -13.6986 -13.6918 -13.6918 -13.3275 -13.3275 -13.2570 -13.2570 -11.7125 -11.7125 -11.7123 -11.7123 -11.1081 -11.1081 -4.8791 -4.8791 -4.7370 -4.7370 -4.6953 -4.6953 -2.1211 -2.1211 -2.0465 -2.0465 -2.0104 -2.0104 -1.8071 -1.8071 -1.6928 -1.6928 -1.3916 -1.3916 -1.3598 -1.3598 -1.1269 -1.1269 -1.0988 -1.0988 -0.9862 -0.9862 -0.9486 -0.9486 -0.9360 -0.9360 -0.4638 -0.4638 -0.4354 -0.4354 -0.1371 -0.1371 -0.0807 -0.0807 -0.0343 -0.0343 0.0449 0.0449 0.1171 0.1171 0.1200 0.1200 0.1708 0.1708 3.2316 3.2316 3.5016 3.5016 k = 0.5000 0.0251 0.5769 ( 8726 PWs) bands (ev): -15.9912 -15.9912 -13.7231 -13.7231 -13.6971 -13.6971 -13.6876 -13.6876 -13.3268 -13.3268 -13.2573 -13.2573 -11.7128 -11.7128 -11.7122 -11.7122 -11.1085 -11.1085 -4.8830 -4.8830 -4.7386 -4.7386 -4.6909 -4.6909 -2.1209 -2.1209 -2.0457 -2.0457 -2.0099 -2.0099 -1.8082 -1.8082 -1.7046 -1.7046 -1.3890 -1.3890 -1.3488 -1.3488 -1.1371 -1.1371 -1.1122 -1.1122 -0.9738 -0.9738 -0.9430 -0.9430 -0.9265 -0.9265 -0.4637 -0.4637 -0.4351 -0.4351 -0.1381 -0.1381 -0.0784 -0.0784 -0.0332 -0.0332 0.0412 0.0412 0.1184 0.1184 0.1232 0.1232 0.1685 0.1685 3.2220 3.2220 3.4986 3.4986 k = 0.5000 0.0377 0.5591 ( 8718 PWs) bands (ev): -15.9915 -15.9915 -13.7294 -13.7294 -13.6953 -13.6953 -13.6823 -13.6823 -13.3257 -13.3257 -13.2578 -13.2578 -11.7134 -11.7134 -11.7121 -11.7121 -11.1093 -11.1093 -4.8893 -4.8893 -4.7402 -4.7402 -4.6847 -4.6847 -2.1209 -2.1209 -2.0447 -2.0447 -2.0088 -2.0088 -1.8107 -1.8107 -1.7212 -1.7212 -1.3899 -1.3899 -1.3279 -1.3279 -1.1520 -1.1520 -1.1303 -1.1303 -0.9576 -0.9576 -0.9338 -0.9338 -0.9128 -0.9128 -0.4635 -0.4635 -0.4347 -0.4347 -0.1403 -0.1403 -0.0742 -0.0742 -0.0317 -0.0317 0.0360 0.0360 0.1201 0.1201 0.1280 0.1280 0.1648 0.1648 3.2061 3.2061 3.4960 3.4960 k = 0.5000 0.0502 0.5414 ( 8714 PWs) bands (ev): -15.9919 -15.9919 -13.7361 -13.7361 -13.6931 -13.6931 -13.6768 -13.6768 -13.3243 -13.3243 -13.2584 -13.2584 -11.7142 -11.7142 -11.7120 -11.7120 -11.1103 -11.1103 -4.8980 -4.8980 -4.7410 -4.7410 -4.6777 -4.6777 -2.1214 -2.1214 -2.0438 -2.0438 -2.0062 -2.0062 -1.8155 -1.8155 -1.7389 -1.7389 -1.3938 -1.3938 -1.3000 -1.3000 -1.1700 -1.1700 -1.1504 -1.1504 -0.9399 -0.9399 -0.9207 -0.9207 -0.8966 -0.8966 -0.4633 -0.4633 -0.4339 -0.4339 -0.1437 -0.1437 -0.0680 -0.0680 -0.0302 -0.0302 0.0303 0.0303 0.1220 0.1220 0.1335 0.1335 0.1602 0.1602 3.1846 3.1846 3.4950 3.4950 k = 0.5000 0.0628 0.5236 ( 8710 PWs) bands (ev): -15.9924 -15.9924 -13.7431 -13.7431 -13.6904 -13.6904 -13.6713 -13.6713 -13.3224 -13.3224 -13.2593 -13.2593 -11.7153 -11.7153 -11.7118 -11.7118 -11.1116 -11.1116 -4.9086 -4.9086 -4.7408 -4.7408 -4.6703 -4.6703 -2.1227 -2.1227 -2.0437 -2.0437 -2.0014 -2.0014 -1.8246 -1.8246 -1.7541 -1.7541 -1.3996 -1.3996 -1.2687 -1.2687 -1.1897 -1.1897 -1.1708 -1.1708 -0.9219 -0.9219 -0.9042 -0.9042 -0.8790 -0.8790 -0.4634 -0.4634 -0.4327 -0.4327 -0.1484 -0.1484 -0.0598 -0.0598 -0.0295 -0.0295 0.0256 0.0256 0.1235 0.1235 0.1388 0.1388 0.1556 0.1556 3.1581 3.1581 3.4962 3.4962 k = 0.5000 0.0753 0.5059 ( 8714 PWs) bands (ev): -15.9929 -15.9929 -13.7501 -13.7501 -13.6872 -13.6872 -13.6659 -13.6659 -13.3203 -13.3203 -13.2603 -13.2603 -11.7165 -11.7165 -11.7115 -11.7115 -11.1131 -11.1131 -4.9209 -4.9209 -4.7394 -4.7394 -4.6629 -4.6629 -2.1250 -2.1250 -2.0449 -2.0449 -1.9941 -1.9941 -1.8391 -1.8391 -1.7642 -1.7642 -1.4067 -1.4067 -1.2419 -1.2419 -1.2065 -1.2065 -1.1883 -1.1883 -0.9039 -0.9039 -0.8849 -0.8849 -0.8608 -0.8608 -0.4637 -0.4637 -0.4311 -0.4311 -0.1544 -0.1544 -0.0504 -0.0504 -0.0302 -0.0302 0.0232 0.0232 0.1234 0.1234 0.1421 0.1421 0.1537 0.1537 3.1273 3.1273 3.4995 3.4995 k = 0.5000 0.0879 0.4881 ( 8712 PWs) bands (ev): -15.9935 -15.9935 -13.7570 -13.7570 -13.6835 -13.6835 -13.6609 -13.6609 -13.3178 -13.3178 -13.2614 -13.2614 -11.7179 -11.7179 -11.7113 -11.7113 -11.1149 -11.1149 -4.9346 -4.9346 -4.7369 -4.7369 -4.6557 -4.6557 -2.1282 -2.1282 -2.0475 -2.0475 -1.9843 -1.9843 -1.8574 -1.8574 -1.7692 -1.7692 -1.4146 -1.4146 -1.2469 -1.2469 -1.2174 -1.2174 -1.1790 -1.1790 -0.8856 -0.8856 -0.8638 -0.8638 -0.8423 -0.8423 -0.4644 -0.4644 -0.4290 -0.4290 -0.1614 -0.1614 -0.0428 -0.0428 -0.0305 -0.0305 0.0241 0.0241 0.1195 0.1195 0.1433 0.1433 0.1568 0.1568 3.0932 3.0932 3.5048 3.5048 k = 0.5000 0.1004 0.4704 ( 8716 PWs) bands (ev): -15.9942 -15.9942 -13.7638 -13.7638 -13.6795 -13.6795 -13.6561 -13.6561 -13.3151 -13.3151 -13.2627 -13.2627 -11.7195 -11.7195 -11.7110 -11.7110 -11.1168 -11.1168 -4.9491 -4.9491 -4.7336 -4.7336 -4.6487 -4.6487 -2.1325 -2.1325 -2.0514 -2.0514 -1.9733 -1.9733 -1.8767 -1.8767 -1.7709 -1.7709 -1.4233 -1.4233 -1.2693 -1.2693 -1.2351 -1.2351 -1.1444 -1.1444 -0.8671 -0.8671 -0.8416 -0.8416 -0.8238 -0.8238 -0.4656 -0.4656 -0.4264 -0.4264 -0.1692 -0.1692 -0.0458 -0.0458 -0.0223 -0.0223 0.0282 0.0282 0.1119 0.1119 0.1451 0.1451 0.1619 0.1619 3.0564 3.0564 3.5115 3.5115 k = 0.5000 0.1130 0.4526 ( 8702 PWs) bands (ev): -15.9950 -15.9950 -13.7704 -13.7704 -13.6751 -13.6751 -13.6517 -13.6517 -13.3122 -13.3122 -13.2641 -13.2641 -11.7212 -11.7212 -11.7106 -11.7106 -11.1188 -11.1188 -4.9642 -4.9642 -4.7296 -4.7296 -4.6420 -4.6420 -2.1376 -2.1376 -2.0565 -2.0565 -1.9631 -1.9631 -1.8930 -1.8930 -1.7706 -1.7706 -1.4324 -1.4324 -1.2943 -1.2943 -1.2534 -1.2534 -1.1059 -1.1059 -0.8488 -0.8488 -0.8187 -0.8187 -0.8050 -0.8050 -0.4673 -0.4673 -0.4233 -0.4233 -0.1774 -0.1774 -0.0541 -0.0541 -0.0106 -0.0106 0.0348 0.0348 0.1025 0.1025 0.1481 0.1481 0.1673 0.1673 3.0177 3.0177 3.5195 3.5195 k = 0.5000 0.1255 0.4349 ( 8706 PWs) bands (ev): -15.9957 -15.9957 -13.7768 -13.7768 -13.6705 -13.6705 -13.6476 -13.6476 -13.3092 -13.3092 -13.2657 -13.2657 -11.7230 -11.7230 -11.7103 -11.7103 -11.1209 -11.1209 -4.9796 -4.9796 -4.7250 -4.7250 -4.6357 -4.6357 -2.1435 -2.1435 -2.0627 -2.0627 -1.9589 -1.9589 -1.9007 -1.9007 -1.7689 -1.7689 -1.4419 -1.4419 -1.3201 -1.3201 -1.2713 -1.2713 -1.0663 -1.0663 -0.8310 -0.8310 -0.7964 -0.7964 -0.7849 -0.7849 -0.4695 -0.4695 -0.4198 -0.4198 -0.1860 -0.1860 -0.0643 -0.0643 0.0004 0.0004 0.0430 0.0430 0.0930 0.0930 0.1515 0.1515 0.1724 0.1724 2.9778 2.9778 3.5282 3.5282 k = 0.5000 0.1381 0.4171 ( 8706 PWs) bands (ev): -15.9965 -15.9965 -13.7829 -13.7829 -13.6657 -13.6657 -13.6438 -13.6438 -13.3060 -13.3060 -13.2673 -13.2673 -11.7249 -11.7249 -11.7100 -11.7100 -11.1230 -11.1230 -4.9949 -4.9949 -4.7201 -4.7201 -4.6297 -4.6297 -2.1499 -2.1499 -2.0701 -2.0701 -1.9649 -1.9649 -1.8951 -1.8951 -1.7662 -1.7662 -1.4517 -1.4517 -1.3460 -1.3460 -1.2885 -1.2885 -1.0268 -1.0268 -0.8142 -0.8142 -0.7766 -0.7766 -0.7618 -0.7618 -0.4722 -0.4722 -0.4159 -0.4159 -0.1946 -0.1946 -0.0754 -0.0754 0.0081 0.0081 0.0525 0.0525 0.0859 0.0859 0.1551 0.1551 0.1772 0.1772 2.9374 2.9374 3.5374 3.5374 k = 0.5000 0.1506 0.3994 ( 8712 PWs) bands (ev): -15.9973 -15.9973 -13.7886 -13.7886 -13.6608 -13.6608 -13.6404 -13.6404 -13.3029 -13.3029 -13.2689 -13.2689 -11.7268 -11.7268 -11.7096 -11.7096 -11.1251 -11.1251 -5.0099 -5.0099 -4.7151 -4.7151 -4.6240 -4.6240 -2.1568 -2.1568 -2.0785 -2.0785 -1.9763 -1.9763 -1.8808 -1.8808 -1.7626 -1.7626 -1.4618 -1.4618 -1.3716 -1.3716 -1.3049 -1.3049 -0.9877 -0.9877 -0.7983 -0.7983 -0.7589 -0.7589 -0.7364 -0.7364 -0.4754 -0.4754 -0.4118 -0.4118 -0.2031 -0.2031 -0.0871 -0.0871 0.0096 0.0096 0.0627 0.0627 0.0840 0.0840 0.1588 0.1588 0.1816 0.1816 2.8971 2.8971 3.5467 3.5467 k = 0.5000 0.1632 0.3816 ( 8716 PWs) bands (ev): -15.9981 -15.9981 -13.7940 -13.7940 -13.6560 -13.6560 -13.6373 -13.6373 -13.2998 -13.2998 -13.2706 -13.2706 -11.7288 -11.7288 -11.7093 -11.7093 -11.1272 -11.1272 -5.0244 -5.0244 -4.7101 -4.7101 -4.6187 -4.6187 -2.1639 -2.1639 -2.0879 -2.0879 -1.9882 -1.9882 -1.8629 -1.8629 -1.7583 -1.7583 -1.4720 -1.4720 -1.3968 -1.3968 -1.3204 -1.3204 -0.9496 -0.9496 -0.7837 -0.7837 -0.7424 -0.7424 -0.7100 -0.7100 -0.4790 -0.4790 -0.4076 -0.4076 -0.2113 -0.2113 -0.0990 -0.0990 0.0036 0.0036 0.0734 0.0734 0.0884 0.0884 0.1623 0.1623 0.1855 0.1855 2.8574 2.8574 3.5558 3.5558 k = 0.5000 0.1757 0.3639 ( 8718 PWs) bands (ev): -15.9989 -15.9989 -13.7990 -13.7990 -13.6513 -13.6513 -13.6345 -13.6345 -13.2968 -13.2968 -13.2723 -13.2723 -11.7307 -11.7307 -11.7089 -11.7089 -11.1293 -11.1293 -5.0382 -5.0382 -4.7053 -4.7053 -4.6137 -4.6137 -2.1712 -2.1712 -2.0978 -2.0978 -1.9988 -1.9988 -1.8434 -1.8434 -1.7532 -1.7532 -1.4825 -1.4825 -1.4214 -1.4214 -1.3349 -1.3349 -0.9129 -0.9129 -0.7703 -0.7703 -0.7265 -0.7265 -0.6835 -0.6835 -0.4830 -0.4830 -0.4033 -0.4033 -0.2192 -0.2192 -0.1111 -0.1111 -0.0078 -0.0078 0.0842 0.0842 0.0970 0.0970 0.1658 0.1658 0.1888 0.1888 2.8192 2.8192 3.5647 3.5647 k = 0.5000 0.1883 0.3461 ( 8728 PWs) bands (ev): -15.9996 -15.9996 -13.8035 -13.8035 -13.6468 -13.6468 -13.6319 -13.6319 -13.2939 -13.2939 -13.2739 -13.2739 -11.7325 -11.7325 -11.7086 -11.7086 -11.1312 -11.1312 -5.0510 -5.0510 -4.7007 -4.7007 -4.6091 -4.6091 -2.1785 -2.1785 -2.1078 -2.1078 -2.0076 -2.0076 -1.8233 -1.8233 -1.7473 -1.7473 -1.4932 -1.4932 -1.4451 -1.4451 -1.3483 -1.3483 -0.8781 -0.8781 -0.7581 -0.7581 -0.7113 -0.7113 -0.6577 -0.6577 -0.4874 -0.4874 -0.3991 -0.3991 -0.2265 -0.2265 -0.1230 -0.1230 -0.0219 -0.0219 0.0947 0.0947 0.1075 0.1075 0.1691 0.1691 0.1917 0.1917 2.7828 2.7828 3.5729 3.5729 k = 0.5000 0.2008 0.3284 ( 8724 PWs) bands (ev): -16.0003 -16.0003 -13.8076 -13.8076 -13.6426 -13.6426 -13.6296 -13.6296 -13.2912 -13.2912 -13.2755 -13.2755 -11.7343 -11.7343 -11.7083 -11.7083 -11.1329 -11.1329 -5.0627 -5.0627 -4.6965 -4.6965 -4.6049 -4.6049 -2.1857 -2.1857 -2.1175 -2.1175 -2.0149 -2.0149 -1.8031 -1.8031 -1.7408 -1.7408 -1.5042 -1.5042 -1.4678 -1.4678 -1.3604 -1.3604 -0.8457 -0.8457 -0.7471 -0.7471 -0.6965 -0.6965 -0.6330 -0.6330 -0.4920 -0.4920 -0.3950 -0.3950 -0.2332 -0.2332 -0.1348 -0.1348 -0.0372 -0.0372 0.1047 0.1047 0.1182 0.1182 0.1722 0.1722 0.1941 0.1941 2.7491 2.7491 3.5804 3.5804 k = 0.5000 0.2134 0.3106 ( 8720 PWs) bands (ev): -16.0009 -16.0009 -13.8112 -13.8112 -13.6389 -13.6389 -13.6275 -13.6275 -13.2888 -13.2888 -13.2770 -13.2770 -11.7358 -11.7358 -11.7081 -11.7081 -11.1345 -11.1345 -5.0731 -5.0731 -4.6928 -4.6928 -4.6011 -4.6011 -2.1925 -2.1925 -2.1265 -2.1265 -2.0207 -2.0207 -1.7835 -1.7835 -1.7336 -1.7336 -1.5155 -1.5155 -1.4892 -1.4892 -1.3711 -1.3711 -0.8164 -0.8164 -0.7372 -0.7372 -0.6823 -0.6823 -0.6103 -0.6103 -0.4967 -0.4967 -0.3911 -0.3911 -0.2392 -0.2392 -0.1460 -0.1460 -0.0527 -0.0527 0.1140 0.1140 0.1283 0.1283 0.1751 0.1751 0.1961 0.1961 2.7184 2.7184 3.5870 3.5870 k = 0.5000 0.2259 0.2929 ( 8728 PWs) bands (ev): -16.0015 -16.0015 -13.8143 -13.8143 -13.6358 -13.6358 -13.6257 -13.6257 -13.2867 -13.2867 -13.2783 -13.2783 -11.7373 -11.7373 -11.7078 -11.7078 -11.1359 -11.1359 -5.0822 -5.0822 -4.6896 -4.6896 -4.5978 -4.5978 -2.1987 -2.1987 -2.1343 -2.1343 -2.0253 -2.0253 -1.7649 -1.7649 -1.7258 -1.7258 -1.5268 -1.5268 -1.5089 -1.5089 -1.3803 -1.3803 -0.7910 -0.7910 -0.7281 -0.7281 -0.6688 -0.6688 -0.5903 -0.5903 -0.5010 -0.5010 -0.3876 -0.3876 -0.2445 -0.2445 -0.1566 -0.1566 -0.0674 -0.0674 0.1223 0.1223 0.1374 0.1374 0.1775 0.1775 0.1979 0.1979 2.6915 2.6915 3.5927 3.5927 k = 0.5000 0.2385 0.2751 ( 8724 PWs) bands (ev): -16.0019 -16.0019 -13.8168 -13.8168 -13.6332 -13.6332 -13.6240 -13.6240 -13.2849 -13.2849 -13.2794 -13.2794 -11.7385 -11.7385 -11.7076 -11.7076 -11.1371 -11.1371 -5.0897 -5.0897 -4.6869 -4.6869 -4.5949 -4.5949 -2.2042 -2.2042 -2.1408 -2.1408 -2.0289 -2.0289 -1.7480 -1.7480 -1.7175 -1.7175 -1.5379 -1.5379 -1.5267 -1.5267 -1.3880 -1.3880 -0.7704 -0.7704 -0.7195 -0.7195 -0.6562 -0.6562 -0.5741 -0.5741 -0.5044 -0.5044 -0.3844 -0.3844 -0.2488 -0.2488 -0.1661 -0.1661 -0.0808 -0.0808 0.1293 0.1293 0.1454 0.1454 0.1791 0.1791 0.1994 0.1994 2.6686 2.6686 3.5974 3.5974 k = 0.5000 0.2510 0.2574 ( 8732 PWs) bands (ev): -16.0023 -16.0023 -13.8188 -13.8188 -13.6313 -13.6313 -13.6225 -13.6225 -13.2835 -13.2835 -13.2804 -13.2804 -11.7394 -11.7394 -11.7075 -11.7075 -11.1380 -11.1380 -5.0957 -5.0957 -4.6848 -4.6848 -4.5927 -4.5927 -2.2088 -2.2088 -2.1460 -2.1460 -2.0315 -2.0315 -1.7336 -1.7336 -1.7091 -1.7091 -1.5484 -1.5484 -1.5418 -1.5418 -1.3940 -1.3940 -0.7551 -0.7551 -0.7115 -0.7115 -0.6447 -0.6447 -0.5628 -0.5628 -0.5060 -0.5060 -0.3818 -0.3818 -0.2523 -0.2523 -0.1742 -0.1742 -0.0921 -0.0921 0.1347 0.1347 0.1523 0.1523 0.1799 0.1799 0.2009 0.2009 2.6504 2.6504 3.6011 3.6011 k = 0.5000 0.2636 0.2396 ( 8724 PWs) bands (ev): -16.0026 -16.0026 -13.8202 -13.8202 -13.6300 -13.6300 -13.6214 -13.6214 -13.2824 -13.2824 -13.2810 -13.2810 -11.7401 -11.7401 -11.7073 -11.7073 -11.1387 -11.1387 -5.1000 -5.1000 -4.6833 -4.6833 -4.5910 -4.5910 -2.2121 -2.2121 -2.1496 -2.1496 -2.0333 -2.0333 -1.7227 -1.7227 -1.7011 -1.7011 -1.5576 -1.5576 -1.5534 -1.5534 -1.3983 -1.3983 -0.7451 -0.7451 -0.7046 -0.7046 -0.6352 -0.6352 -0.5567 -0.5567 -0.5057 -0.5057 -0.3798 -0.3798 -0.2548 -0.2548 -0.1804 -0.1804 -0.1007 -0.1007 0.1386 0.1386 0.1580 0.1580 0.1797 0.1797 0.2022 0.2022 2.6371 2.6371 3.6037 3.6037 k = 0.5000 0.2761 0.2219 ( 8724 PWs) bands (ev): -16.0027 -16.0027 -13.8211 -13.8211 -13.6292 -13.6292 -13.6207 -13.6207 -13.2818 -13.2818 -13.2814 -13.2814 -11.7406 -11.7406 -11.7073 -11.7073 -11.1391 -11.1391 -5.1026 -5.1026 -4.6824 -4.6824 -4.5900 -4.5900 -2.2142 -2.2142 -2.1518 -2.1518 -2.0344 -2.0344 -1.7161 -1.7161 -1.6950 -1.6950 -1.5644 -1.5644 -1.5607 -1.5607 -1.4009 -1.4009 -0.7397 -0.7397 -0.6998 -0.6998 -0.6287 -0.6287 -0.5546 -0.5546 -0.5044 -0.5044 -0.3785 -0.3785 -0.2563 -0.2563 -0.1844 -0.1844 -0.1061 -0.1061 0.1409 0.1409 0.1620 0.1620 0.1790 0.1790 0.2031 0.2031 2.6291 2.6291 3.6053 3.6053 k = 0.5000 0.2887 0.2041 ( 8694 PWs) bands (ev): -16.0028 -16.0028 -13.8214 -13.8214 -13.6290 -13.6290 -13.6205 -13.6205 -13.2816 -13.2816 -13.2816 -13.2816 -11.7407 -11.7407 -11.7072 -11.7072 -11.1392 -11.1392 -5.1035 -5.1035 -4.6821 -4.6821 -4.5897 -4.5897 -2.2149 -2.2149 -2.1526 -2.1526 -2.0348 -2.0348 -1.7138 -1.7138 -1.6927 -1.6927 -1.5669 -1.5669 -1.5631 -1.5631 -1.4018 -1.4018 -0.7380 -0.7380 -0.6981 -0.6981 -0.6264 -0.6264 -0.5543 -0.5543 -0.5037 -0.5037 -0.3780 -0.3780 -0.2568 -0.2568 -0.1857 -0.1857 -0.1079 -0.1079 0.1417 0.1417 0.1635 0.1635 0.1785 0.1785 0.2034 0.2034 2.6263 2.6263 3.6058 3.6058 k = 0.5000 0.2887 0.2041 ( 8694 PWs) bands (ev): -16.0028 -16.0028 -13.8214 -13.8214 -13.6290 -13.6290 -13.6205 -13.6205 -13.2816 -13.2816 -13.2816 -13.2816 -11.7407 -11.7407 -11.7072 -11.7072 -11.1392 -11.1392 -5.1035 -5.1035 -4.6821 -4.6821 -4.5897 -4.5897 -2.2149 -2.2149 -2.1526 -2.1526 -2.0348 -2.0348 -1.7138 -1.7138 -1.6927 -1.6927 -1.5669 -1.5669 -1.5631 -1.5631 -1.4018 -1.4018 -0.7380 -0.7380 -0.6981 -0.6981 -0.6264 -0.6264 -0.5543 -0.5543 -0.5037 -0.5037 -0.3780 -0.3780 -0.2568 -0.2568 -0.1857 -0.1857 -0.1079 -0.1079 0.1417 0.1417 0.1635 0.1635 0.1785 0.1785 0.2034 0.2034 2.6263 2.6263 3.6058 3.6058 k = 0.4938 0.2851 0.2245 ( 8722 PWs) bands (ev): -16.0027 -16.0027 -13.8211 -13.8211 -13.6292 -13.6292 -13.6207 -13.6207 -13.2818 -13.2818 -13.2814 -13.2814 -11.7406 -11.7406 -11.7073 -11.7073 -11.1391 -11.1391 -5.1026 -5.1026 -4.6824 -4.6824 -4.5900 -4.5900 -2.2142 -2.2142 -2.1518 -2.1518 -2.0344 -2.0344 -1.7161 -1.7161 -1.6950 -1.6950 -1.5644 -1.5644 -1.5607 -1.5607 -1.4009 -1.4009 -0.7397 -0.7397 -0.6998 -0.6998 -0.6287 -0.6287 -0.5546 -0.5546 -0.5044 -0.5044 -0.3785 -0.3785 -0.2563 -0.2563 -0.1844 -0.1844 -0.1061 -0.1061 0.1409 0.1409 0.1620 0.1620 0.1790 0.1790 0.2031 0.2031 2.6290 2.6290 3.6053 3.6053 k = 0.4875 0.2815 0.2449 ( 8718 PWs) bands (ev): -16.0026 -16.0026 -13.8202 -13.8202 -13.6300 -13.6300 -13.6214 -13.6214 -13.2824 -13.2824 -13.2810 -13.2810 -11.7401 -11.7401 -11.7073 -11.7073 -11.1387 -11.1387 -5.1000 -5.1000 -4.6833 -4.6833 -4.5910 -4.5910 -2.2122 -2.2122 -2.1497 -2.1497 -2.0333 -2.0333 -1.7227 -1.7227 -1.7010 -1.7010 -1.5576 -1.5576 -1.5536 -1.5536 -1.3983 -1.3983 -0.7451 -0.7451 -0.7046 -0.7046 -0.6351 -0.6351 -0.5567 -0.5567 -0.5057 -0.5057 -0.3797 -0.3797 -0.2548 -0.2548 -0.1805 -0.1805 -0.1007 -0.1007 0.1386 0.1386 0.1580 0.1580 0.1797 0.1797 0.2022 0.2022 2.6370 2.6370 3.6037 3.6037 k = 0.4813 0.2778 0.2654 ( 8728 PWs) bands (ev): -16.0023 -16.0023 -13.8188 -13.8188 -13.6313 -13.6313 -13.6225 -13.6225 -13.2835 -13.2835 -13.2803 -13.2803 -11.7394 -11.7394 -11.7075 -11.7075 -11.1380 -11.1380 -5.0957 -5.0957 -4.6848 -4.6848 -4.5926 -4.5926 -2.2088 -2.2088 -2.1460 -2.1460 -2.0315 -2.0315 -1.7334 -1.7334 -1.7091 -1.7091 -1.5477 -1.5477 -1.5428 -1.5428 -1.3941 -1.3941 -0.7548 -0.7548 -0.7118 -0.7118 -0.6444 -0.6444 -0.5626 -0.5626 -0.5062 -0.5062 -0.3817 -0.3817 -0.2523 -0.2523 -0.1743 -0.1743 -0.0922 -0.0922 0.1347 0.1347 0.1527 0.1527 0.1796 0.1796 0.2011 0.2011 2.6502 2.6502 3.6011 3.6011 k = 0.4750 0.2742 0.2858 ( 8721 PWs) bands (ev): -16.0019 -16.0019 -13.8168 -13.8168 -13.6332 -13.6332 -13.6239 -13.6239 -13.2849 -13.2849 -13.2794 -13.2794 -11.7385 -11.7385 -11.7076 -11.7076 -11.1371 -11.1371 -5.0898 -5.0898 -4.6868 -4.6868 -4.5949 -4.5949 -2.2044 -2.2044 -2.1409 -2.1409 -2.0289 -2.0289 -1.7474 -1.7474 -1.7178 -1.7178 -1.5357 -1.5357 -1.5291 -1.5291 -1.3881 -1.3881 -0.7693 -0.7693 -0.7209 -0.7209 -0.6551 -0.6551 -0.5737 -0.5737 -0.5048 -0.5048 -0.3842 -0.3842 -0.2489 -0.2489 -0.1663 -0.1663 -0.0810 -0.0810 0.1288 0.1288 0.1467 0.1467 0.1779 0.1779 0.2001 0.2001 2.6683 2.6683 3.5975 3.5975 k = 0.4688 0.2706 0.3062 ( 8723 PWs) bands (ev): -16.0015 -16.0015 -13.8143 -13.8143 -13.6358 -13.6358 -13.6255 -13.6255 -13.2868 -13.2868 -13.2782 -13.2782 -11.7373 -11.7373 -11.7078 -11.7078 -11.1360 -11.1360 -5.0823 -5.0823 -4.6895 -4.6895 -4.5977 -4.5977 -2.1990 -2.1990 -2.1342 -2.1342 -2.0255 -2.0255 -1.7640 -1.7640 -1.7265 -1.7265 -1.5223 -1.5223 -1.5136 -1.5136 -1.3805 -1.3805 -0.7886 -0.7886 -0.7324 -0.7324 -0.6658 -0.6658 -0.5894 -0.5894 -0.5023 -0.5023 -0.3869 -0.3869 -0.2446 -0.2446 -0.1569 -0.1569 -0.0677 -0.0677 0.1209 0.1209 0.1408 0.1408 0.1742 0.1742 0.1996 0.1996 2.6909 2.6909 3.5928 3.5928 k = 0.4625 0.2670 0.3266 ( 8721 PWs) bands (ev): -16.0009 -16.0009 -13.8113 -13.8113 -13.6390 -13.6390 -13.6273 -13.6273 -13.2890 -13.2890 -13.2767 -13.2767 -11.7359 -11.7359 -11.7080 -11.7080 -11.1346 -11.1346 -5.0734 -5.0734 -4.6927 -4.6927 -4.6010 -4.6010 -2.1932 -2.1932 -2.1259 -2.1259 -2.0211 -2.0211 -1.7823 -1.7823 -1.7348 -1.7348 -1.5081 -1.5081 -1.4967 -1.4967 -1.3712 -1.3712 -0.8118 -0.8118 -0.7470 -0.7470 -0.6754 -0.6754 -0.6087 -0.6087 -0.4997 -0.4997 -0.3893 -0.3893 -0.2394 -0.2394 -0.1465 -0.1465 -0.0532 -0.0532 0.1112 0.1112 0.1350 0.1350 0.1684 0.1684 0.1996 0.1996 2.7177 2.7177 3.5872 3.5872 k = 0.4562 0.2634 0.3470 ( 8721 PWs) bands (ev): -16.0003 -16.0003 -13.8077 -13.8077 -13.6429 -13.6429 -13.6292 -13.6292 -13.2917 -13.2917 -13.2751 -13.2751 -11.7343 -11.7343 -11.7083 -11.7083 -11.1330 -11.1330 -5.0630 -5.0630 -4.6964 -4.6964 -4.6047 -4.6047 -2.1871 -2.1871 -2.1160 -2.1160 -2.0159 -2.0159 -1.8016 -1.8016 -1.7427 -1.7427 -1.4934 -1.4934 -1.4786 -1.4786 -1.3604 -1.3604 -0.8384 -0.8384 -0.7650 -0.7650 -0.6835 -0.6835 -0.6305 -0.6305 -0.4981 -0.4981 -0.3910 -0.3910 -0.2335 -0.2335 -0.1355 -0.1355 -0.0380 -0.0380 0.1003 0.1003 0.1293 0.1293 0.1608 0.1608 0.1998 0.1998 2.7480 2.7480 3.5805 3.5805 k = 0.4500 0.2598 0.3674 ( 8711 PWs) bands (ev): -15.9997 -15.9997 -13.8037 -13.8037 -13.6473 -13.6473 -13.6311 -13.6311 -13.2947 -13.2947 -13.2732 -13.2732 -11.7326 -11.7326 -11.7086 -11.7086 -11.1312 -11.1312 -5.0515 -5.0515 -4.7006 -4.7006 -4.6088 -4.6088 -2.1813 -2.1813 -2.1043 -2.1043 -2.0097 -2.0097 -1.8214 -1.8214 -1.7498 -1.7498 -1.4786 -1.4786 -1.4596 -1.4596 -1.3480 -1.3480 -0.8674 -0.8674 -0.7863 -0.7863 -0.6905 -0.6905 -0.6537 -0.6537 -0.4983 -0.4983 -0.3913 -0.3913 -0.2269 -0.2269 -0.1241 -0.1241 -0.0232 -0.0232 0.0890 0.0890 0.1235 0.1235 0.1519 0.1519 0.2001 0.2001 2.7813 2.7813 3.5731 3.5731 k = 0.4437 0.2562 0.3878 ( 8727 PWs) bands (ev): -15.9989 -15.9989 -13.7992 -13.7992 -13.6521 -13.6521 -13.6332 -13.6332 -13.2980 -13.2980 -13.2711 -13.2711 -11.7308 -11.7308 -11.7089 -11.7089 -11.1293 -11.1293 -5.0389 -5.0389 -4.7052 -4.7052 -4.6132 -4.6132 -2.1761 -2.1761 -2.0909 -2.0909 -2.0030 -2.0030 -1.8411 -1.8411 -1.7563 -1.7563 -1.4637 -1.4637 -1.4398 -1.4398 -1.3343 -1.3343 -0.8984 -0.8984 -0.8104 -0.8104 -0.6974 -0.6974 -0.6771 -0.6771 -0.5008 -0.5008 -0.3899 -0.3899 -0.2197 -0.2197 -0.1126 -0.1126 -0.0101 -0.0101 0.0784 0.0784 0.1176 0.1176 0.1420 0.1420 0.2003 0.2003 2.8171 2.8171 3.5649 3.5649 k = 0.4375 0.2526 0.4082 ( 8719 PWs) bands (ev): -15.9982 -15.9982 -13.7943 -13.7943 -13.6573 -13.6573 -13.6353 -13.6353 -13.3017 -13.3017 -13.2689 -13.2689 -11.7289 -11.7289 -11.7092 -11.7092 -11.1273 -11.1273 -5.0254 -5.0254 -4.7101 -4.7101 -4.6178 -4.6178 -2.1720 -2.1720 -2.0756 -2.0756 -1.9960 -1.9960 -1.8600 -1.8600 -1.7618 -1.7618 -1.4490 -1.4490 -1.4194 -1.4194 -1.3193 -1.3193 -0.9309 -0.9309 -0.8367 -0.8367 -0.7099 -0.7099 -0.6946 -0.6946 -0.5060 -0.5060 -0.3865 -0.3865 -0.2120 -0.2120 -0.1012 -0.1012 -0.0008 -0.0008 0.0705 0.0705 0.1113 0.1113 0.1317 0.1317 0.2003 0.2003 2.8545 2.8545 3.5561 3.5561 k = 0.4313 0.2490 0.4287 ( 8720 PWs) bands (ev): -15.9974 -15.9974 -13.7890 -13.7890 -13.6627 -13.6627 -13.6376 -13.6376 -13.3057 -13.3057 -13.2665 -13.2665 -11.7271 -11.7271 -11.7095 -11.7095 -11.1253 -11.1253 -5.0113 -5.0113 -4.7151 -4.7151 -4.6226 -4.6226 -2.1691 -2.1691 -2.0587 -2.0587 -1.9899 -1.9899 -1.8768 -1.8768 -1.7665 -1.7665 -1.4343 -1.4343 -1.3986 -1.3986 -1.3031 -1.3031 -0.9644 -0.9644 -0.8648 -0.8648 -0.7321 -0.7321 -0.7021 -0.7021 -0.5136 -0.5136 -0.3813 -0.3813 -0.2041 -0.2041 -0.0900 -0.0900 0.0018 0.0018 0.0679 0.0679 0.1048 0.1048 0.1218 0.1218 0.2001 0.2001 2.8929 2.8929 3.5471 3.5471 k = 0.4250 0.2454 0.4491 ( 8722 PWs) bands (ev): -15.9966 -15.9966 -13.7834 -13.7834 -13.6682 -13.6682 -13.6399 -13.6399 -13.3099 -13.3099 -13.2640 -13.2640 -11.7252 -11.7252 -11.7098 -11.7098 -11.1231 -11.1231 -4.9968 -4.9968 -4.7201 -4.7201 -4.6276 -4.6276 -2.1676 -2.1676 -2.0408 -2.0408 -1.9861 -1.9861 -1.8892 -1.8892 -1.7702 -1.7702 -1.4199 -1.4199 -1.3775 -1.3775 -1.2859 -1.2859 -0.9985 -0.9985 -0.8943 -0.8943 -0.7560 -0.7560 -0.7071 -0.7071 -0.5234 -0.5234 -0.3744 -0.3744 -0.1960 -0.1960 -0.0795 -0.0795 -0.0029 -0.0029 0.0700 0.0700 0.0985 0.0985 0.1133 0.1133 0.1996 0.1996 2.9316 2.9316 3.5379 3.5379 k = 0.4188 0.2418 0.4695 ( 8717 PWs) bands (ev): -15.9958 -15.9958 -13.7775 -13.7775 -13.6738 -13.6738 -13.6422 -13.6422 -13.3143 -13.3143 -13.2614 -13.2614 -11.7235 -11.7235 -11.7100 -11.7100 -11.1210 -11.1210 -4.9823 -4.9823 -4.7249 -4.7249 -4.6327 -4.6327 -2.1677 -2.1677 -2.0239 -2.0239 -1.9855 -1.9855 -1.8947 -1.8947 -1.7729 -1.7729 -1.4057 -1.4057 -1.3563 -1.3563 -1.2679 -1.2679 -1.0327 -1.0327 -0.9248 -0.9248 -0.7794 -0.7794 -0.7117 -0.7117 -0.5350 -0.5350 -0.3662 -0.3662 -0.1880 -0.1880 -0.0704 -0.0704 -0.0114 -0.0114 0.0702 0.0702 0.0961 0.0961 0.1069 0.1069 0.1989 0.1989 2.9697 2.9697 3.5291 3.5291 k = 0.4125 0.2382 0.4899 ( 8713 PWs) bands (ev): -15.9951 -15.9951 -13.7713 -13.7713 -13.6794 -13.6794 -13.6447 -13.6447 -13.3189 -13.3189 -13.2587 -13.2587 -11.7220 -11.7220 -11.7101 -11.7101 -11.1190 -11.1190 -4.9681 -4.9681 -4.7293 -4.7293 -4.6378 -4.6378 -2.1693 -2.1693 -2.0158 -2.0158 -1.9811 -1.9811 -1.8925 -1.8925 -1.7746 -1.7746 -1.3921 -1.3921 -1.3354 -1.3354 -1.2491 -1.2491 -1.0666 -1.0666 -0.9556 -0.9556 -0.8015 -0.8015 -0.7163 -0.7163 -0.5481 -0.5481 -0.3571 -0.3571 -0.1804 -0.1804 -0.0643 -0.0643 -0.0195 -0.0195 0.0639 0.0639 0.0967 0.0967 0.1059 0.1059 0.1979 0.1979 3.0063 3.0063 3.5210 3.5210 k = 0.4062 0.2345 0.5103 ( 8706 PWs) bands (ev): -15.9944 -15.9944 -13.7651 -13.7651 -13.6847 -13.6847 -13.6471 -13.6471 -13.3237 -13.3237 -13.2559 -13.2559 -11.7206 -11.7206 -11.7101 -11.7101 -11.1171 -11.1171 -4.9545 -4.9545 -4.7330 -4.7330 -4.6429 -4.6429 -2.1724 -2.1724 -2.0235 -2.0235 -1.9646 -1.9646 -1.8844 -1.8844 -1.7751 -1.7751 -1.3793 -1.3793 -1.3151 -1.3151 -1.2301 -1.2301 -1.0993 -1.0993 -0.9861 -0.9861 -0.8220 -0.8220 -0.7209 -0.7209 -0.5622 -0.5622 -0.3472 -0.3472 -0.1735 -0.1735 -0.0648 -0.0648 -0.0223 -0.0223 0.0546 0.0546 0.0933 0.0933 0.1128 0.1128 0.1968 0.1968 3.0407 3.0407 3.5141 3.5141 k = 0.4000 0.2309 0.5307 ( 8712 PWs) bands (ev): -15.9937 -15.9937 -13.7589 -13.7589 -13.6897 -13.6897 -13.6496 -13.6496 -13.3285 -13.3285 -13.2531 -13.2531 -11.7196 -11.7196 -11.7100 -11.7100 -11.1153 -11.1153 -4.9420 -4.9420 -4.7360 -4.7360 -4.6480 -4.6480 -2.1771 -2.1771 -2.0380 -2.0380 -1.9430 -1.9430 -1.8728 -1.8728 -1.7744 -1.7744 -1.3679 -1.3679 -1.2963 -1.2963 -1.2118 -1.2118 -1.1292 -1.1292 -1.0156 -1.0156 -0.8405 -0.8405 -0.7258 -0.7258 -0.5772 -0.5772 -0.3367 -0.3367 -0.1677 -0.1677 -0.0723 -0.0723 -0.0183 -0.0183 0.0451 0.0451 0.0894 0.0894 0.1211 0.1211 0.1954 0.1954 3.0719 3.0719 3.5087 3.5087 k = 0.3937 0.2273 0.5511 ( 8704 PWs) bands (ev): -15.9932 -15.9932 -13.7528 -13.7528 -13.6942 -13.6942 -13.6520 -13.6520 -13.3333 -13.3333 -13.2503 -13.2503 -11.7188 -11.7188 -11.7097 -11.7097 -11.1137 -11.1137 -4.9309 -4.9309 -4.7378 -4.7378 -4.6530 -4.6530 -2.1832 -2.1832 -2.0543 -2.0543 -1.9201 -1.9201 -1.8594 -1.8594 -1.7720 -1.7720 -1.3587 -1.3587 -1.2800 -1.2800 -1.1980 -1.1980 -1.1514 -1.1514 -1.0425 -1.0425 -0.8566 -0.8566 -0.7308 -0.7308 -0.5928 -0.5928 -0.3258 -0.3258 -0.1634 -0.1634 -0.0830 -0.0830 -0.0111 -0.0111 0.0368 0.0368 0.0858 0.0858 0.1286 0.1286 0.1938 0.1938 3.0992 3.0992 3.5052 3.5052 k = 0.3875 0.2237 0.5715 ( 8712 PWs) bands (ev): -15.9927 -15.9927 -13.7471 -13.7471 -13.6979 -13.6979 -13.6545 -13.6545 -13.3380 -13.3380 -13.2475 -13.2475 -11.7183 -11.7183 -11.7093 -11.7093 -11.1123 -11.1123 -4.9216 -4.9216 -4.7386 -4.7386 -4.6577 -4.6577 -2.1906 -2.1906 -2.0707 -2.0707 -1.8980 -1.8980 -1.8454 -1.8454 -1.7674 -1.7674 -1.3532 -1.3532 -1.2683 -1.2683 -1.2006 -1.2006 -1.1524 -1.1524 -1.0647 -1.0647 -0.8700 -0.8700 -0.7361 -0.7361 -0.6086 -0.6086 -0.3147 -0.3147 -0.1610 -0.1610 -0.0942 -0.0942 -0.0030 -0.0030 0.0305 0.0305 0.0829 0.0829 0.1348 0.1348 0.1921 0.1921 3.1220 3.1220 3.5037 3.5037 k = 0.3812 0.2201 0.5920 ( 8710 PWs) bands (ev): -15.9923 -15.9923 -13.7420 -13.7420 -13.7006 -13.7006 -13.6569 -13.6569 -13.3426 -13.3426 -13.2447 -13.2447 -11.7181 -11.7181 -11.7089 -11.7089 -11.1112 -11.1112 -4.9141 -4.9141 -4.7385 -4.7385 -4.6620 -4.6620 -2.1988 -2.1988 -2.0867 -2.0867 -1.8781 -1.8781 -1.8318 -1.8318 -1.7596 -1.7596 -1.3534 -1.3534 -1.2637 -1.2637 -1.2128 -1.2128 -1.1371 -1.1371 -1.0791 -1.0791 -0.8804 -0.8804 -0.7417 -0.7417 -0.6246 -0.6246 -0.3033 -0.3033 -0.1610 -0.1610 -0.1044 -0.1044 0.0045 0.0045 0.0272 0.0272 0.0805 0.0805 0.1394 0.1394 0.1902 0.1902 3.1400 3.1400 3.5039 3.5039 k = 0.3750 0.2165 0.6124 ( 8700 PWs) bands (ev): -15.9921 -15.9921 -13.7381 -13.7381 -13.7020 -13.7020 -13.6592 -13.6592 -13.3469 -13.3469 -13.2419 -13.2419 -11.7180 -11.7180 -11.7085 -11.7085 -11.1104 -11.1104 -4.9087 -4.9087 -4.7377 -4.7377 -4.6656 -4.6656 -2.2074 -2.2074 -2.1018 -2.1018 -1.8622 -1.8622 -1.8194 -1.8194 -1.7474 -1.7474 -1.3606 -1.3606 -1.2667 -1.2667 -1.2221 -1.2221 -1.1188 -1.1188 -1.0829 -1.0829 -0.8876 -0.8876 -0.7476 -0.7476 -0.6404 -0.6404 -0.2919 -0.2919 -0.1635 -0.1635 -0.1128 -0.1128 0.0099 0.0099 0.0279 0.0279 0.0788 0.0788 0.1423 0.1423 0.1881 0.1881 3.1532 3.1532 3.5051 3.5051 k = 0.6250-0.0722 0.4082 ( 8700 PWs) bands (ev): -15.9921 -15.9921 -13.7381 -13.7381 -13.7020 -13.7020 -13.6592 -13.6592 -13.3469 -13.3469 -13.2419 -13.2419 -11.7180 -11.7180 -11.7085 -11.7085 -11.1104 -11.1104 -4.9087 -4.9087 -4.7377 -4.7377 -4.6656 -4.6656 -2.2074 -2.2074 -2.1018 -2.1018 -1.8622 -1.8622 -1.8194 -1.8194 -1.7474 -1.7474 -1.3606 -1.3606 -1.2667 -1.2667 -1.2221 -1.2221 -1.1188 -1.1188 -1.0829 -1.0829 -0.8876 -0.8876 -0.7476 -0.7476 -0.6404 -0.6404 -0.2919 -0.2919 -0.1635 -0.1635 -0.1128 -0.1128 0.0099 0.0099 0.0279 0.0279 0.0788 0.0788 0.1423 0.1423 0.1881 0.1881 3.1532 3.1532 3.5051 3.5051 k = 0.6146-0.0902 0.4082 ( 8704 PWs) bands (ev): -15.9918 -15.9918 -13.7326 -13.7326 -13.7027 -13.7027 -13.6630 -13.6630 -13.3539 -13.3539 -13.2374 -13.2374 -11.7181 -11.7181 -11.7080 -11.7080 -11.1095 -11.1095 -4.9013 -4.9013 -4.7366 -4.7366 -4.6706 -4.6706 -2.2225 -2.2225 -2.1252 -2.1252 -1.8406 -1.8406 -1.8006 -1.8006 -1.7223 -1.7223 -1.3780 -1.3780 -1.2779 -1.2779 -1.2348 -1.2348 -1.0939 -1.0939 -1.0719 -1.0719 -0.8957 -0.8957 -0.7576 -0.7576 -0.6666 -0.6666 -0.2732 -0.2732 -0.1702 -0.1702 -0.1250 -0.1250 0.0166 0.0166 0.0333 0.0333 0.0767 0.0767 0.1450 0.1450 0.1847 0.1847 3.1710 3.1710 3.5062 3.5062 k = 0.6042-0.1083 0.4082 ( 8708 PWs) bands (ev): -15.9916 -15.9916 -13.7270 -13.7270 -13.7034 -13.7034 -13.6666 -13.6666 -13.3608 -13.3608 -13.2330 -13.2330 -11.7182 -11.7182 -11.7075 -11.7075 -11.1088 -11.1088 -4.8946 -4.8946 -4.7363 -4.7363 -4.6743 -4.6743 -2.2383 -2.2383 -2.1460 -2.1460 -1.8202 -1.8202 -1.7825 -1.7825 -1.6966 -1.6966 -1.3947 -1.3947 -1.2898 -1.2898 -1.2482 -1.2482 -1.0861 -1.0861 -1.0419 -1.0419 -0.9022 -0.9022 -0.7672 -0.7672 -0.6927 -0.6927 -0.2552 -0.2552 -0.1778 -0.1778 -0.1364 -0.1364 0.0223 0.0223 0.0401 0.0401 0.0750 0.0750 0.1467 0.1467 0.1811 0.1811 3.1873 3.1873 3.5050 3.5050 k = 0.5938-0.1263 0.4082 ( 8708 PWs) bands (ev): -15.9915 -15.9915 -13.7216 -13.7216 -13.7038 -13.7038 -13.6700 -13.6700 -13.3675 -13.3675 -13.2289 -13.2289 -11.7184 -11.7184 -11.7070 -11.7070 -11.1082 -11.1082 -4.8887 -4.8887 -4.7369 -4.7369 -4.6767 -4.6767 -2.2548 -2.2548 -2.1640 -2.1640 -1.8012 -1.8012 -1.7653 -1.7653 -1.6707 -1.6707 -1.4102 -1.4102 -1.3020 -1.3020 -1.2620 -1.2620 -1.0811 -1.0811 -1.0082 -1.0082 -0.9073 -0.9073 -0.7765 -0.7765 -0.7185 -0.7185 -0.2386 -0.2386 -0.1856 -0.1856 -0.1471 -0.1471 0.0270 0.0270 0.0478 0.0478 0.0736 0.0736 0.1478 0.1478 0.1776 0.1776 3.2016 3.2016 3.5020 3.5020 k = 0.5833-0.1443 0.4082 ( 8718 PWs) bands (ev): -15.9914 -15.9914 -13.7166 -13.7166 -13.7039 -13.7039 -13.6731 -13.6731 -13.3739 -13.3739 -13.2250 -13.2250 -11.7187 -11.7187 -11.7065 -11.7065 -11.1077 -11.1077 -4.8838 -4.8838 -4.7379 -4.7379 -4.6779 -4.6779 -2.2714 -2.2714 -2.1792 -2.1792 -1.7839 -1.7839 -1.7490 -1.7490 -1.6448 -1.6448 -1.4244 -1.4244 -1.3146 -1.3146 -1.2756 -1.2756 -1.0751 -1.0751 -0.9753 -0.9753 -0.9114 -0.9114 -0.7857 -0.7857 -0.7434 -0.7434 -0.2250 -0.2250 -0.1920 -0.1920 -0.1568 -0.1568 0.0306 0.0306 0.0557 0.0557 0.0726 0.0726 0.1482 0.1482 0.1742 0.1742 3.2136 3.2136 3.4978 3.4978 k = 0.5729-0.1624 0.4082 ( 8740 PWs) bands (ev): -15.9914 -15.9914 -13.7126 -13.7126 -13.7030 -13.7030 -13.6759 -13.6759 -13.3799 -13.3799 -13.2215 -13.2215 -11.7190 -11.7190 -11.7061 -11.7061 -11.1073 -11.1073 -4.8798 -4.8798 -4.7391 -4.7391 -4.6781 -4.6781 -2.2876 -2.2876 -2.1920 -2.1920 -1.7684 -1.7684 -1.7339 -1.7339 -1.6192 -1.6192 -1.4371 -1.4371 -1.3275 -1.3275 -1.2887 -1.2887 -1.0676 -1.0676 -0.9445 -0.9445 -0.9144 -0.9144 -0.7962 -0.7962 -0.7659 -0.7659 -0.2194 -0.2194 -0.1920 -0.1920 -0.1656 -0.1656 0.0334 0.0334 0.0631 0.0631 0.0721 0.0721 0.1485 0.1485 0.1709 0.1709 3.2232 3.2232 3.4934 3.4934 k = 0.5625-0.1804 0.4082 ( 8728 PWs) bands (ev): -15.9913 -15.9913 -13.7105 -13.7105 -13.7007 -13.7007 -13.6783 -13.6783 -13.3855 -13.3855 -13.2183 -13.2183 -11.7192 -11.7192 -11.7057 -11.7057 -11.1071 -11.1071 -4.8768 -4.8768 -4.7403 -4.7403 -4.6777 -4.6777 -2.3027 -2.3027 -2.2025 -2.2025 -1.7548 -1.7548 -1.7201 -1.7201 -1.5943 -1.5943 -1.4481 -1.4481 -1.3408 -1.3408 -1.3010 -1.3010 -1.0584 -1.0584 -0.9211 -0.9211 -0.9121 -0.9121 -0.8109 -0.8109 -0.7824 -0.7824 -0.2236 -0.2236 -0.1839 -0.1839 -0.1728 -0.1728 0.0356 0.0356 0.0688 0.0688 0.0728 0.0728 0.1486 0.1486 0.1678 0.1678 3.2302 3.2302 3.4895 3.4895 k = 0.5521-0.1985 0.4082 ( 8722 PWs) bands (ev): -15.9913 -15.9913 -13.7097 -13.7097 -13.6974 -13.6974 -13.6803 -13.6803 -13.3905 -13.3905 -13.2156 -13.2156 -11.7195 -11.7195 -11.7053 -11.7053 -11.1068 -11.1068 -4.8748 -4.8748 -4.7411 -4.7411 -4.6769 -4.6769 -2.3163 -2.3163 -2.2112 -2.2112 -1.7431 -1.7431 -1.7080 -1.7080 -1.5706 -1.5706 -1.4570 -1.4570 -1.3545 -1.3545 -1.3122 -1.3122 -1.0476 -1.0476 -0.9206 -0.9206 -0.8902 -0.8902 -0.8307 -0.8307 -0.7913 -0.7913 -0.2310 -0.2310 -0.1815 -0.1815 -0.1712 -0.1712 0.0371 0.0371 0.0707 0.0707 0.0766 0.0766 0.1488 0.1488 0.1651 0.1651 3.2349 3.2349 3.4866 3.4866 k = 0.5417-0.2165 0.4082 ( 8738 PWs) bands (ev): -15.9913 -15.9913 -13.7096 -13.7096 -13.6942 -13.6942 -13.6819 -13.6819 -13.3947 -13.3947 -13.2133 -13.2133 -11.7198 -11.7198 -11.7051 -11.7051 -11.1067 -11.1067 -4.8735 -4.8735 -4.7417 -4.7417 -4.6760 -4.6760 -2.3279 -2.3279 -2.2180 -2.2180 -1.7334 -1.7334 -1.6978 -1.6978 -1.5487 -1.5487 -1.4635 -1.4635 -1.3687 -1.3687 -1.3219 -1.3219 -1.0353 -1.0353 -0.9225 -0.9225 -0.8717 -0.8717 -0.8509 -0.8509 -0.7956 -0.7956 -0.2387 -0.2387 -0.1864 -0.1864 -0.1621 -0.1621 0.0382 0.0382 0.0713 0.0713 0.0808 0.0808 0.1490 0.1490 0.1628 0.1628 3.2377 3.2377 3.4848 3.4848 k = 0.5312-0.2345 0.4082 ( 8726 PWs) bands (ev): -15.9913 -15.9913 -13.7096 -13.7096 -13.6917 -13.6917 -13.6828 -13.6828 -13.3982 -13.3982 -13.2115 -13.2115 -11.7200 -11.7200 -11.7048 -11.7048 -11.1066 -11.1066 -4.8727 -4.8727 -4.7420 -4.7420 -4.6751 -4.6751 -2.3373 -2.3373 -2.2233 -2.2233 -1.7258 -1.7258 -1.6896 -1.6896 -1.5298 -1.5298 -1.4664 -1.4664 -1.3834 -1.3834 -1.3297 -1.3297 -1.0219 -1.0219 -0.9248 -0.9248 -0.8757 -0.8757 -0.8527 -0.8527 -0.7965 -0.7965 -0.2454 -0.2454 -0.1907 -0.1907 -0.1542 -0.1542 0.0390 0.0390 0.0718 0.0718 0.0839 0.0839 0.1492 0.1492 0.1610 0.1610 3.2391 3.2391 3.4838 3.4838 k = 0.5208-0.2526 0.4082 ( 8720 PWs) bands (ev): -15.9913 -15.9913 -13.7097 -13.7097 -13.6901 -13.6901 -13.6830 -13.6830 -13.4007 -13.4007 -13.2102 -13.2102 -11.7202 -11.7202 -11.7047 -11.7047 -11.1065 -11.1065 -4.8724 -4.8724 -4.7421 -4.7421 -4.6744 -4.6744 -2.3441 -2.3441 -2.2270 -2.2270 -1.7203 -1.7203 -1.6836 -1.6836 -1.5160 -1.5160 -1.4645 -1.4645 -1.3982 -1.3982 -1.3355 -1.3355 -1.0082 -1.0082 -0.9284 -0.9284 -0.8918 -0.8918 -0.8447 -0.8447 -0.7949 -0.7949 -0.2507 -0.2507 -0.1938 -0.1938 -0.1482 -0.1482 0.0394 0.0394 0.0722 0.0722 0.0861 0.0861 0.1493 0.1493 0.1599 0.1599 3.2396 3.2396 3.4833 3.4833 k = 0.5104-0.2706 0.4082 ( 8732 PWs) bands (ev): -15.9914 -15.9914 -13.7098 -13.7098 -13.6895 -13.6895 -13.6829 -13.6829 -13.4023 -13.4023 -13.2094 -13.2094 -11.7203 -11.7203 -11.7046 -11.7046 -11.1065 -11.1065 -4.8722 -4.8722 -4.7421 -4.7421 -4.6740 -4.6740 -2.3483 -2.3483 -2.2292 -2.2292 -1.7170 -1.7170 -1.6800 -1.6800 -1.5088 -1.5088 -1.4576 -1.4576 -1.4117 -1.4117 -1.3390 -1.3390 -0.9962 -0.9962 -0.9339 -0.9339 -0.9024 -0.9024 -0.8406 -0.8406 -0.7927 -0.7927 -0.2541 -0.2541 -0.1957 -0.1957 -0.1446 -0.1446 0.0397 0.0397 0.0724 0.0724 0.0873 0.0873 0.1493 0.1493 0.1594 0.1594 3.2397 3.2397 3.4832 3.4832 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -15.9914 -15.9914 -13.7098 -13.7098 -13.6893 -13.6893 -13.6827 -13.6827 -13.4029 -13.4029 -13.2091 -13.2091 -11.7203 -11.7203 -11.7045 -11.7045 -11.1065 -11.1065 -4.8722 -4.8722 -4.7421 -4.7421 -4.6738 -4.6738 -2.3497 -2.3497 -2.2299 -2.2299 -1.7159 -1.7159 -1.6788 -1.6788 -1.5069 -1.5069 -1.4526 -1.4526 -1.4184 -1.4184 -1.3402 -1.3402 -0.9909 -0.9909 -0.9373 -0.9373 -0.9056 -0.9056 -0.8394 -0.8394 -0.7917 -0.7917 -0.2552 -0.2552 -0.1963 -0.1963 -0.1434 -0.1434 0.0397 0.0397 0.0725 0.0725 0.0877 0.0877 0.1492 0.1492 0.1592 0.1592 3.2397 3.2397 3.4832 3.4832 Writing output data file SexNCl3x2.save init_run : 0.54s CPU 0.70s WALL ( 1 calls) electrons : 582.21s CPU 585.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 582.20s CPU 585.34s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.05s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 219 calls) cegterg : 527.87s CPU 530.38s WALL ( 219 calls) Called by sum_band: Called by *egterg: h_psi : 327.48s CPU 329.78s WALL ( 4217 calls) s_psi : 6.78s CPU 6.85s WALL ( 4217 calls) g_psi : 0.14s CPU 0.18s WALL ( 3779 calls) cdiaghg : 192.85s CPU 193.50s WALL ( 3998 calls) cegterg:over : 21.33s CPU 21.19s WALL ( 3779 calls) cegterg:upda : 8.25s CPU 8.15s WALL ( 3779 calls) cegterg:last : 5.99s CPU 6.04s WALL ( 657 calls) cdiaghg:chol : 7.13s CPU 7.31s WALL ( 3998 calls) cdiaghg:inve : 5.84s CPU 5.87s WALL ( 3998 calls) cdiaghg:para : 20.70s CPU 20.62s WALL ( 7996 calls) Called by h_psi: h_psi:vloc : 308.77s CPU 310.85s WALL ( 4217 calls) h_psi:vnl : 18.55s CPU 18.75s WALL ( 4217 calls) add_vuspsi : 8.07s CPU 8.18s WALL ( 4217 calls) General routines calbec : 10.45s CPU 10.56s WALL ( 4217 calls) fft : 0.08s CPU 0.08s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 303.49s CPU 305.56s WALL ( 583976 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 438 calls) Parallel routines fft_scatter : 266.65s CPU 268.36s WALL ( 583999 calls) PWSCF : 11m 9.04s CPU 11m30.48s WALL This run was terminated on: 8:31:16 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=