Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:46:53 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: ./Cs2PdI6.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 119 70 19 7322 3283 457 Max 120 71 20 7328 3306 461 Sum 8617 5065 1369 527395 237377 33079 bravais-lattice index = 14 lattice parameter (alat) = 15.1422 a.u. unit-cell volume = 2455.0267 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.142250 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Pd 18.00 106.42000 Pd( 1.00) Cs 9.00 132.90550 Cs( 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= 191 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052356 k( 2) = ( 0.0178571 -0.0103098 0.0145803), wk = 0.0052356 k( 3) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0052356 k( 4) = ( 0.0535714 -0.0309295 0.0437409), wk = 0.0052356 k( 5) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0052356 k( 6) = ( 0.0892857 -0.0515491 0.0729015), wk = 0.0052356 k( 7) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0052356 k( 8) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0052356 k( 9) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0052356 k( 10) = ( 0.1607143 -0.0927884 0.1312227), wk = 0.0052356 k( 11) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0052356 k( 12) = ( 0.1964286 -0.1134081 0.1603833), wk = 0.0052356 k( 13) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0052356 k( 14) = ( 0.2321429 -0.1340277 0.1895439), wk = 0.0052356 k( 15) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0052356 k( 16) = ( 0.2678571 -0.1546474 0.2187044), wk = 0.0052356 k( 17) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0052356 k( 18) = ( 0.3035714 -0.1752670 0.2478650), wk = 0.0052356 k( 19) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0052356 k( 20) = ( 0.3392857 -0.1958867 0.2770256), wk = 0.0052356 k( 21) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0052356 k( 22) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0052356 k( 23) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0052356 k( 24) = ( 0.4107143 -0.2371260 0.3353468), wk = 0.0052356 k( 25) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0052356 k( 26) = ( 0.4464286 -0.2577457 0.3645074), wk = 0.0052356 k( 27) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0052356 k( 28) = ( 0.4821429 -0.2783653 0.3936680), wk = 0.0052356 k( 29) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0052356 k( 30) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0052356 k( 31) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0052356 k( 32) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0052356 k( 33) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0052356 k( 34) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0052356 k( 35) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0052356 k( 36) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0052356 k( 37) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0052356 k( 38) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0052356 k( 39) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0052356 k( 40) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0052356 k( 41) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0052356 k( 42) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0052356 k( 43) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0052356 k( 44) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0052356 k( 45) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0052356 k( 46) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0052356 k( 47) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0052356 k( 48) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0052356 k( 49) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0052356 k( 50) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0052356 k( 51) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0052356 k( 52) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0052356 k( 53) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0052356 k( 54) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0052356 k( 55) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0052356 k( 56) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0052356 k( 57) = ( 0.3625000 0.2092895 0.5919600), wk = 0.0052356 k( 58) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0052356 k( 59) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0052356 k( 60) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0052356 k( 61) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0052356 k( 62) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0052356 k( 63) = ( 0.2875000 0.1659882 0.4694855), wk = 0.0052356 k( 64) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0052356 k( 65) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0052356 k( 66) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0052356 k( 67) = ( 0.2375000 0.1371207 0.3878359), wk = 0.0052356 k( 68) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0052356 k( 69) = ( 0.2125000 0.1226869 0.3470110), wk = 0.0052356 k( 70) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0052356 k( 71) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0052356 k( 72) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0052356 k( 73) = ( 0.1625000 0.0938194 0.2653614), wk = 0.0052356 k( 74) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0052356 k( 75) = ( 0.1375000 0.0793857 0.2245366), wk = 0.0052356 k( 76) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0052356 k( 77) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0052356 k( 78) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0052356 k( 79) = ( 0.0875000 0.0505181 0.1428869), wk = 0.0052356 k( 80) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0052356 k( 81) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0052356 k( 82) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0052356 k( 83) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0052356 k( 84) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0052356 k( 85) = ( 0.0125000 0.0072169 0.0204124), wk = 0.0052356 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052356 k( 87) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052356 k( 88) = ( 0.0200000 0.0115470 0.0081650), wk = 0.0052356 k( 89) = ( 0.0400000 0.0230940 0.0163299), wk = 0.0052356 k( 90) = ( 0.0600000 0.0346410 0.0244949), wk = 0.0052356 k( 91) = ( 0.0800000 0.0461880 0.0326599), wk = 0.0052356 k( 92) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0052356 k( 93) = ( 0.1200000 0.0692820 0.0489898), wk = 0.0052356 k( 94) = ( 0.1400000 0.0808290 0.0571548), wk = 0.0052356 k( 95) = ( 0.1600000 0.0923760 0.0653197), wk = 0.0052356 k( 96) = ( 0.1800000 0.1039230 0.0734847), wk = 0.0052356 k( 97) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0052356 k( 98) = ( 0.2200000 0.1270171 0.0898146), wk = 0.0052356 k( 99) = ( 0.2400000 0.1385641 0.0979796), wk = 0.0052356 k( 100) = ( 0.2600000 0.1501111 0.1061446), wk = 0.0052356 k( 101) = ( 0.2800000 0.1616581 0.1143095), wk = 0.0052356 k( 102) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0052356 k( 103) = ( 0.3200000 0.1847521 0.1306395), wk = 0.0052356 k( 104) = ( 0.3400000 0.1962991 0.1388044), wk = 0.0052356 k( 105) = ( 0.3600000 0.2078461 0.1469694), wk = 0.0052356 k( 106) = ( 0.3800000 0.2193931 0.1551344), wk = 0.0052356 k( 107) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0052356 k( 108) = ( 0.4200000 0.2424871 0.1714643), wk = 0.0052356 k( 109) = ( 0.4400000 0.2540341 0.1796292), wk = 0.0052356 k( 110) = ( 0.4600000 0.2655811 0.1877942), wk = 0.0052356 k( 111) = ( 0.4800000 0.2771281 0.1959592), wk = 0.0052356 k( 112) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0052356 k( 113) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0052356 k( 114) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0052356 k( 115) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0052356 k( 116) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0052356 k( 117) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0052356 k( 118) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0052356 k( 119) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0052356 k( 120) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0052356 k( 121) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0052356 k( 122) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0052356 k( 123) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0052356 k( 124) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0052356 k( 125) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0052356 k( 126) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0052356 k( 127) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0052356 k( 128) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0052356 k( 129) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0052356 k( 130) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0052356 k( 131) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0052356 k( 132) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0052356 k( 133) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0052356 k( 134) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0052356 k( 135) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0052356 k( 136) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0052356 k( 137) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0052356 k( 138) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0052356 k( 139) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0052356 k( 140) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0052356 k( 141) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0052356 k( 142) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0052356 k( 143) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0052356 k( 144) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0052356 k( 145) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0052356 k( 146) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0052356 k( 147) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0052356 k( 148) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0052356 k( 149) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0052356 k( 150) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0052356 k( 151) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0052356 k( 152) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0052356 k( 153) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0052356 k( 154) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0052356 k( 155) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0052356 k( 156) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0052356 k( 157) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0052356 k( 158) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0052356 k( 159) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0052356 k( 160) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0052356 k( 161) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0052356 k( 162) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0052356 k( 163) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0052356 k( 164) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0052356 k( 165) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0052356 k( 166) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0052356 k( 167) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0052356 k( 168) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0052356 k( 169) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0052356 k( 170) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0052356 k( 171) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0052356 k( 172) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0052356 k( 173) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0052356 k( 174) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0052356 k( 175) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0052356 k( 176) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0052356 k( 177) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0052356 k( 178) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0052356 k( 179) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0052356 k( 180) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0052356 k( 181) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0052356 k( 182) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0052356 k( 183) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0052356 k( 184) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0052356 k( 185) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0052356 k( 186) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0052356 k( 187) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0052356 k( 188) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0052356 k( 189) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0052356 k( 190) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0052356 k( 191) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0052356 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052356 k( 2) = ( 0.0178571 -0.0000000 0.0178571), wk = 0.0052356 k( 3) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0052356 k( 4) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0052356 k( 5) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0052356 k( 6) = ( 0.0892857 0.0000000 0.0892857), wk = 0.0052356 k( 7) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0052356 k( 8) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0052356 k( 9) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0052356 k( 10) = ( 0.1607143 0.0000000 0.1607143), wk = 0.0052356 k( 11) = ( 0.1785714 0.0000000 0.1785714), wk = 0.0052356 k( 12) = ( 0.1964286 -0.0000000 0.1964286), wk = 0.0052356 k( 13) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0052356 k( 14) = ( 0.2321429 0.0000000 0.2321429), wk = 0.0052356 k( 15) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0052356 k( 16) = ( 0.2678571 -0.0000000 0.2678571), wk = 0.0052356 k( 17) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0052356 k( 18) = ( 0.3035714 -0.0000000 0.3035714), wk = 0.0052356 k( 19) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0052356 k( 20) = ( 0.3392857 0.0000000 0.3392857), wk = 0.0052356 k( 21) = ( 0.3571429 0.0000000 0.3571429), wk = 0.0052356 k( 22) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0052356 k( 23) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0052356 k( 24) = ( 0.4107143 -0.0000000 0.4107143), wk = 0.0052356 k( 25) = ( 0.4285714 0.0000000 0.4285714), wk = 0.0052356 k( 26) = ( 0.4464286 -0.0000000 0.4464286), wk = 0.0052356 k( 27) = ( 0.4642857 0.0000000 0.4642857), wk = 0.0052356 k( 28) = ( 0.4821429 -0.0000000 0.4821429), wk = 0.0052356 k( 29) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0052356 k( 30) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0052356 k( 31) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0052356 k( 32) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0052356 k( 33) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0052356 k( 34) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0052356 k( 35) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0052356 k( 36) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0052356 k( 37) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0052356 k( 38) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0052356 k( 39) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0052356 k( 40) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0052356 k( 41) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0052356 k( 42) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0052356 k( 43) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0052356 k( 44) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0052356 k( 45) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0052356 k( 46) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0052356 k( 47) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0052356 k( 48) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0052356 k( 49) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0052356 k( 50) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0052356 k( 51) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0052356 k( 52) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0052356 k( 53) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0052356 k( 54) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0052356 k( 55) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0052356 k( 56) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0052356 k( 57) = ( 0.3625000 0.3625000 0.7250000), wk = 0.0052356 k( 58) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0052356 k( 59) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0052356 k( 60) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0052356 k( 61) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0052356 k( 62) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0052356 k( 63) = ( 0.2875000 0.2875000 0.5750000), wk = 0.0052356 k( 64) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0052356 k( 65) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0052356 k( 66) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0052356 k( 67) = ( 0.2375000 0.2375000 0.4750000), wk = 0.0052356 k( 68) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0052356 k( 69) = ( 0.2125000 0.2125000 0.4250000), wk = 0.0052356 k( 70) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0052356 k( 71) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0052356 k( 72) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0052356 k( 73) = ( 0.1625000 0.1625000 0.3250000), wk = 0.0052356 k( 74) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0052356 k( 75) = ( 0.1375000 0.1375000 0.2750000), wk = 0.0052356 k( 76) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0052356 k( 77) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0052356 k( 78) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0052356 k( 79) = ( 0.0875000 0.0875000 0.1750000), wk = 0.0052356 k( 80) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0052356 k( 81) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0052356 k( 82) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0052356 k( 83) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0052356 k( 84) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0052356 k( 85) = ( 0.0125000 0.0125000 0.0250000), wk = 0.0052356 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052356 k( 87) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052356 k( 88) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0052356 k( 89) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0052356 k( 90) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0052356 k( 91) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0052356 k( 92) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0052356 k( 93) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0052356 k( 94) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0052356 k( 95) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0052356 k( 96) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0052356 k( 97) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0052356 k( 98) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0052356 k( 99) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0052356 k( 100) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0052356 k( 101) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0052356 k( 102) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0052356 k( 103) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0052356 k( 104) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0052356 k( 105) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0052356 k( 106) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0052356 k( 107) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0052356 k( 108) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0052356 k( 109) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0052356 k( 110) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0052356 k( 111) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0052356 k( 112) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0052356 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0052356 k( 114) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0052356 k( 115) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0052356 k( 116) = ( 0.5220588 0.4558824 0.5220588), wk = 0.0052356 k( 117) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0052356 k( 118) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0052356 k( 119) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0052356 k( 120) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0052356 k( 121) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0052356 k( 122) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0052356 k( 123) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0052356 k( 124) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0052356 k( 125) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0052356 k( 126) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0052356 k( 127) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0052356 k( 128) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0052356 k( 129) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0052356 k( 130) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0052356 k( 131) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0052356 k( 132) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0052356 k( 133) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0052356 k( 134) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0052356 k( 135) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0052356 k( 136) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0052356 k( 137) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0052356 k( 138) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0052356 k( 139) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0052356 k( 140) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0052356 k( 141) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0052356 k( 142) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0052356 k( 143) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0052356 k( 144) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0052356 k( 145) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0052356 k( 146) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0052356 k( 147) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0052356 k( 148) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0052356 k( 149) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0052356 k( 150) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0052356 k( 151) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0052356 k( 152) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0052356 k( 153) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0052356 k( 154) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0052356 k( 155) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0052356 k( 156) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0052356 k( 157) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0052356 k( 158) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0052356 k( 159) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0052356 k( 160) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0052356 k( 161) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0052356 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0052356 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0052356 k( 164) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0052356 k( 165) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0052356 k( 166) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0052356 k( 167) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0052356 k( 168) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0052356 k( 169) = ( 0.4558823 0.4558824 0.5882353), wk = 0.0052356 k( 170) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0052356 k( 171) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0052356 k( 172) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0052356 k( 173) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0052356 k( 174) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0052356 k( 175) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0052356 k( 176) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0052356 k( 177) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0052356 k( 178) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0052356 k( 179) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0052356 k( 180) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0052356 k( 181) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0052356 k( 182) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0052356 k( 183) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0052356 k( 184) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0052356 k( 185) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0052356 k( 186) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0052356 k( 187) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0052356 k( 188) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0052356 k( 189) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0052356 k( 190) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0052356 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0052356 Dense grid: 527395 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 237377 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 1.20 Mb ( 838, 94) NL pseudopotentials 2.31 Mb ( 419, 362) Each V/rho on FFT grid 0.44 Mb ( 28800) Each G-vector array 0.06 Mb ( 7328) G-vector shells 0.01 Mb ( 1860) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 4.81 Mb ( 838, 376) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 1.04 Mb ( 362, 2, 94) The potential is recalculated from file : ./Cs2PdI6.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 9.2 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.5 secs Computing kpt #: 3 total cpu time spent up to now is 26.7 secs Computing kpt #: 4 total cpu time spent up to now is 32.5 secs Computing kpt #: 5 total cpu time spent up to now is 37.2 secs Computing kpt #: 6 total cpu time spent up to now is 41.8 secs Computing kpt #: 7 total cpu time spent up to now is 46.4 secs Computing kpt #: 8 total cpu time spent up to now is 51.5 secs Computing kpt #: 9 total cpu time spent up to now is 56.1 secs Computing kpt #: 10 total cpu time spent up to now is 60.7 secs Computing kpt #: 11 total cpu time spent up to now is 65.3 secs Computing kpt #: 12 total cpu time spent up to now is 70.0 secs Computing kpt #: 13 total cpu time spent up to now is 74.7 secs Computing kpt #: 14 total cpu time spent up to now is 79.4 secs Computing kpt #: 15 total cpu time spent up to now is 84.1 secs Computing kpt #: 16 total cpu time spent up to now is 89.0 secs Computing kpt #: 17 total cpu time spent up to now is 93.8 secs Computing kpt #: 18 total cpu time spent up to now is 98.8 secs Computing kpt #: 19 total cpu time spent up to now is 103.8 secs Computing kpt #: 20 total cpu time spent up to now is 108.7 secs Computing kpt #: 21 total cpu time spent up to now is 113.4 secs Computing kpt #: 22 total cpu time spent up to now is 118.2 secs Computing kpt #: 23 total cpu time spent up to now is 122.8 secs Computing kpt #: 24 total cpu time spent up to now is 127.5 secs Computing kpt #: 25 total cpu time spent up to now is 132.2 secs Computing kpt #: 26 total cpu time spent up to now is 136.7 secs Computing kpt #: 27 total cpu time spent up to now is 141.2 secs Computing kpt #: 28 total cpu time spent up to now is 145.7 secs Computing kpt #: 29 total cpu time spent up to now is 150.2 secs Computing kpt #: 30 total cpu time spent up to now is 154.7 secs Computing kpt #: 31 total cpu time spent up to now is 159.2 secs Computing kpt #: 32 total cpu time spent up to now is 163.8 secs Computing kpt #: 33 total cpu time spent up to now is 168.5 secs Computing kpt #: 34 total cpu time spent up to now is 173.2 secs Computing kpt #: 35 total cpu time spent up to now is 178.0 secs Computing kpt #: 36 total cpu time spent up to now is 182.8 secs Computing kpt #: 37 total cpu time spent up to now is 187.6 secs Computing kpt #: 38 total cpu time spent up to now is 192.5 secs Computing kpt #: 39 total cpu time spent up to now is 197.2 secs Computing kpt #: 40 total cpu time spent up to now is 202.0 secs Computing kpt #: 41 total cpu time spent up to now is 206.8 secs Computing kpt #: 42 total cpu time spent up to now is 211.7 secs Computing kpt #: 43 total cpu time spent up to now is 216.6 secs Computing kpt #: 44 total cpu time spent up to now is 221.3 secs Computing kpt #: 45 total cpu time spent up to now is 226.2 secs Computing kpt #: 46 total cpu time spent up to now is 231.2 secs Computing kpt #: 47 total cpu time spent up to now is 236.1 secs Computing kpt #: 48 total cpu time spent up to now is 241.2 secs Computing kpt #: 49 total cpu time spent up to now is 246.1 secs Computing kpt #: 50 total cpu time spent up to now is 251.0 secs Computing kpt #: 51 total cpu time spent up to now is 256.0 secs Computing kpt #: 52 total cpu time spent up to now is 261.1 secs Computing kpt #: 53 total cpu time spent up to now is 266.0 secs Computing kpt #: 54 total cpu time spent up to now is 271.0 secs Computing kpt #: 55 total cpu time spent up to now is 275.9 secs Computing kpt #: 56 total cpu time spent up to now is 281.0 secs Computing kpt #: 57 total cpu time spent up to now is 286.1 secs Computing kpt #: 58 total cpu time spent up to now is 292.1 secs Computing kpt #: 59 total cpu time spent up to now is 298.1 secs Computing kpt #: 60 total cpu time spent up to now is 303.7 secs Computing kpt #: 61 total cpu time spent up to now is 309.4 secs Computing kpt #: 62 total cpu time spent up to now is 315.1 secs Computing kpt #: 63 total cpu time spent up to now is 324.5 secs Computing kpt #: 64 total cpu time spent up to now is 331.7 secs Computing kpt #: 65 total cpu time spent up to now is 336.9 secs Computing kpt #: 66 total cpu time spent up to now is 342.6 secs Computing kpt #: 67 total cpu time spent up to now is 347.5 secs Computing kpt #: 68 total cpu time spent up to now is 352.4 secs Computing kpt #: 69 total cpu time spent up to now is 357.1 secs Computing kpt #: 70 total cpu time spent up to now is 362.0 secs Computing kpt #: 71 total cpu time spent up to now is 366.6 secs Computing kpt #: 72 total cpu time spent up to now is 371.2 secs Computing kpt #: 73 total cpu time spent up to now is 375.8 secs Computing kpt #: 74 total cpu time spent up to now is 380.6 secs Computing kpt #: 75 total cpu time spent up to now is 385.2 secs Computing kpt #: 76 total cpu time spent up to now is 389.7 secs Computing kpt #: 77 total cpu time spent up to now is 396.5 secs Computing kpt #: 78 total cpu time spent up to now is 403.7 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.2 secs Computing kpt #: 80 total cpu time spent up to now is 418.9 secs Computing kpt #: 81 total cpu time spent up to now is 428.0 secs Computing kpt #: 82 total cpu time spent up to now is 437.2 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.5 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 456.1 secs Computing kpt #: 85 total cpu time spent up to now is 461.8 secs Computing kpt #: 86 total cpu time spent up to now is 467.8 secs Computing kpt #: 87 total cpu time spent up to now is 473.5 secs Computing kpt #: 88 total cpu time spent up to now is 479.3 secs Computing kpt #: 89 total cpu time spent up to now is 483.8 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.3 secs Computing kpt #: 91 total cpu time spent up to now is 497.9 secs Computing kpt #: 92 total cpu time spent up to now is 502.4 secs Computing kpt #: 93 total cpu time spent up to now is 506.9 secs Computing kpt #: 94 total cpu time spent up to now is 511.4 secs Computing kpt #: 95 total cpu time spent up to now is 515.8 secs Computing kpt #: 96 total cpu time spent up to now is 520.3 secs Computing kpt #: 97 total cpu time spent up to now is 524.8 secs Computing kpt #: 98 total cpu time spent up to now is 529.6 secs Computing kpt #: 99 total cpu time spent up to now is 534.2 secs Computing kpt #: 100 total cpu time spent up to now is 538.8 secs Computing kpt #: 101 total cpu time spent up to now is 543.4 secs Computing kpt #: 102 total cpu time spent up to now is 548.0 secs Computing kpt #: 103 total cpu time spent up to now is 552.6 secs Computing kpt #: 104 total cpu time spent up to now is 558.3 secs Computing kpt #: 105 total cpu time spent up to now is 563.0 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 572.8 secs Computing kpt #: 107 total cpu time spent up to now is 581.0 secs Computing kpt #: 108 total cpu time spent up to now is 588.0 secs Computing kpt #: 109 total cpu time spent up to now is 593.9 secs Computing kpt #: 110 total cpu time spent up to now is 598.8 secs Computing kpt #: 111 total cpu time spent up to now is 603.6 secs Computing kpt #: 112 total cpu time spent up to now is 608.4 secs Computing kpt #: 113 total cpu time spent up to now is 613.3 secs Computing kpt #: 114 total cpu time spent up to now is 618.0 secs Computing kpt #: 115 total cpu time spent up to now is 622.8 secs Computing kpt #: 116 total cpu time spent up to now is 627.6 secs Computing kpt #: 117 total cpu time spent up to now is 632.4 secs Computing kpt #: 118 total cpu time spent up to now is 637.3 secs Computing kpt #: 119 total cpu time spent up to now is 642.2 secs Computing kpt #: 120 total cpu time spent up to now is 647.2 secs Computing kpt #: 121 total cpu time spent up to now is 652.1 secs Computing kpt #: 122 total cpu time spent up to now is 657.2 secs Computing kpt #: 123 total cpu time spent up to now is 662.1 secs Computing kpt #: 124 total cpu time spent up to now is 667.2 secs Computing kpt #: 125 total cpu time spent up to now is 672.4 secs Computing kpt #: 126 total cpu time spent up to now is 678.2 secs Computing kpt #: 127 total cpu time spent up to now is 686.2 secs Computing kpt #: 128 total cpu time spent up to now is 692.0 secs Computing kpt #: 129 total cpu time spent up to now is 697.2 secs Computing kpt #: 130 total cpu time spent up to now is 702.3 secs Computing kpt #: 131 total cpu time spent up to now is 707.5 secs Computing kpt #: 132 total cpu time spent up to now is 712.4 secs Computing kpt #: 133 total cpu time spent up to now is 717.8 secs Computing kpt #: 134 total cpu time spent up to now is 722.7 secs Computing kpt #: 135 total cpu time spent up to now is 728.0 secs Computing kpt #: 136 total cpu time spent up to now is 733.1 secs Computing kpt #: 137 total cpu time spent up to now is 738.0 secs Computing kpt #: 138 total cpu time spent up to now is 743.1 secs Computing kpt #: 139 total cpu time spent up to now is 748.0 secs Computing kpt #: 140 total cpu time spent up to now is 752.9 secs Computing kpt #: 141 total cpu time spent up to now is 757.8 secs Computing kpt #: 142 total cpu time spent up to now is 762.7 secs Computing kpt #: 143 total cpu time spent up to now is 767.6 secs Computing kpt #: 144 total cpu time spent up to now is 772.4 secs Computing kpt #: 145 total cpu time spent up to now is 777.2 secs Computing kpt #: 146 total cpu time spent up to now is 781.8 secs Computing kpt #: 147 total cpu time spent up to now is 786.7 secs Computing kpt #: 148 total cpu time spent up to now is 791.5 secs Computing kpt #: 149 total cpu time spent up to now is 796.3 secs Computing kpt #: 150 total cpu time spent up to now is 801.1 secs Computing kpt #: 151 total cpu time spent up to now is 805.9 secs Computing kpt #: 152 total cpu time spent up to now is 810.7 secs Computing kpt #: 153 total cpu time spent up to now is 815.5 secs Computing kpt #: 154 total cpu time spent up to now is 820.4 secs Computing kpt #: 155 total cpu time spent up to now is 825.4 secs Computing kpt #: 156 total cpu time spent up to now is 830.5 secs Computing kpt #: 157 total cpu time spent up to now is 835.5 secs Computing kpt #: 158 total cpu time spent up to now is 840.5 secs Computing kpt #: 159 total cpu time spent up to now is 845.4 secs Computing kpt #: 160 total cpu time spent up to now is 850.4 secs Computing kpt #: 161 total cpu time spent up to now is 855.2 secs Computing kpt #: 162 total cpu time spent up to now is 860.2 secs Computing kpt #: 163 total cpu time spent up to now is 865.1 secs Computing kpt #: 164 total cpu time spent up to now is 870.0 secs Computing kpt #: 165 total cpu time spent up to now is 874.9 secs Computing kpt #: 166 total cpu time spent up to now is 879.8 secs Computing kpt #: 167 total cpu time spent up to now is 884.7 secs Computing kpt #: 168 total cpu time spent up to now is 889.6 secs Computing kpt #: 169 total cpu time spent up to now is 894.6 secs Computing kpt #: 170 total cpu time spent up to now is 899.6 secs Computing kpt #: 171 total cpu time spent up to now is 904.6 secs Computing kpt #: 172 total cpu time spent up to now is 909.5 secs Computing kpt #: 173 total cpu time spent up to now is 914.5 secs Computing kpt #: 174 total cpu time spent up to now is 919.5 secs Computing kpt #: 175 total cpu time spent up to now is 924.5 secs Computing kpt #: 176 total cpu time spent up to now is 930.5 secs Computing kpt #: 177 total cpu time spent up to now is 938.5 secs Computing kpt #: 178 total cpu time spent up to now is 944.3 secs Computing kpt #: 179 total cpu time spent up to now is 949.3 secs Computing kpt #: 180 total cpu time spent up to now is 954.5 secs Computing kpt #: 181 total cpu time spent up to now is 959.6 secs Computing kpt #: 182 total cpu time spent up to now is 964.4 secs Computing kpt #: 183 total cpu time spent up to now is 969.3 secs Computing kpt #: 184 total cpu time spent up to now is 974.1 secs Computing kpt #: 185 total cpu time spent up to now is 979.1 secs Computing kpt #: 186 total cpu time spent up to now is 983.8 secs Computing kpt #: 187 total cpu time spent up to now is 988.5 secs Computing kpt #: 188 total cpu time spent up to now is 993.2 secs Computing kpt #: 189 total cpu time spent up to now is 997.8 secs Computing kpt #: 190 total cpu time spent up to now is 1002.5 secs Computing kpt #: 191 total cpu time spent up to now is 1007.0 secs ethr = 1.28E-08, avg # of iterations = 36.8 total cpu time spent up to now is 1007.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 29627 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0803 -8.0803 -7.3741 -7.3741 -7.3637 -7.3637 -7.3637 -7.3637 -7.1703 -7.1703 -7.1703 -7.1703 -3.7496 -3.7496 -3.6851 -3.6851 -2.4103 -2.4103 -2.4103 -2.4103 -2.2812 -2.2812 -2.2812 -2.2812 -0.3253 -0.3253 0.2775 0.2775 0.2775 0.2775 0.6266 0.6266 0.6266 0.6266 0.8723 0.8723 1.1728 1.1728 1.1728 1.1728 1.5527 1.5527 2.7114 2.7114 2.7114 2.7114 3.0081 3.0081 3.1377 3.1377 3.1377 3.1377 3.1386 3.1386 3.5489 3.5489 3.8264 3.8264 4.3247 4.3247 4.3247 4.3247 4.3991 4.3991 4.3991 4.3991 5.5479 5.5479 5.5479 5.5479 7.9849 7.9849 8.5315 8.5315 8.5315 8.5315 8.7790 8.7790 9.0728 9.0728 9.4333 9.4333 k = 0.0179-0.0103 0.0146 ( 29647 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0800 -8.0800 -7.3742 -7.3742 -7.3639 -7.3639 -7.3638 -7.3638 -7.1708 -7.1708 -7.1703 -7.1703 -3.7493 -3.7493 -3.6850 -3.6850 -2.4098 -2.4098 -2.4097 -2.4097 -2.2811 -2.2811 -2.2809 -2.2809 -0.3237 -0.3237 0.2761 0.2761 0.2775 0.2775 0.6263 0.6263 0.6266 0.6266 0.8723 0.8723 1.1729 1.1729 1.1742 1.1742 1.5536 1.5536 2.7106 2.7106 2.7111 2.7111 3.0071 3.0071 3.1373 3.1373 3.1375 3.1375 3.1380 3.1380 3.5483 3.5483 3.8247 3.8247 4.3205 4.3205 4.3236 4.3236 4.3965 4.3965 4.3984 4.3984 5.5439 5.5439 5.5476 5.5476 7.9886 7.9886 8.5342 8.5342 8.5357 8.5357 8.7847 8.7847 9.0761 9.0761 9.4355 9.4357 k = 0.0357-0.0206 0.0292 ( 29683 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8760 -14.8760 -14.8660 -14.8660 -8.0790 -8.0790 -7.3746 -7.3746 -7.3643 -7.3643 -7.3641 -7.3641 -7.1723 -7.1723 -7.1702 -7.1702 -3.7483 -3.7483 -3.6846 -3.6846 -2.4084 -2.4084 -2.4080 -2.4080 -2.2806 -2.2806 -2.2801 -2.2801 -0.3189 -0.3189 0.2721 0.2721 0.2775 0.2775 0.6251 0.6251 0.6267 0.6267 0.8725 0.8725 1.1731 1.1731 1.1784 1.1784 1.5563 1.5563 2.7082 2.7082 2.7100 2.7100 3.0042 3.0042 3.1339 3.1339 3.1360 3.1360 3.1387 3.1387 3.5466 3.5466 3.8197 3.8197 4.3083 4.3083 4.3204 4.3204 4.3888 4.3888 4.3962 4.3962 5.5322 5.5322 5.5468 5.5468 7.9995 7.9995 8.5424 8.5424 8.5483 8.5483 8.8019 8.8019 9.0858 9.0858 9.4414 9.4414 k = 0.0536-0.0309 0.0437 ( 29727 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8760 -14.8760 -14.8661 -14.8661 -8.0773 -8.0773 -7.3752 -7.3752 -7.3651 -7.3651 -7.3646 -7.3646 -7.1747 -7.1747 -7.1700 -7.1700 -3.7468 -3.7468 -3.6839 -3.6839 -2.4061 -2.4061 -2.4052 -2.4052 -2.2799 -2.2799 -2.2786 -2.2786 -0.3110 -0.3110 0.2655 0.2655 0.2774 0.2774 0.6232 0.6232 0.6267 0.6267 0.8727 0.8727 1.1734 1.1734 1.1853 1.1853 1.5607 1.5607 2.7042 2.7042 2.7082 2.7082 2.9996 2.9996 3.1280 3.1280 3.1339 3.1339 3.1396 3.1396 3.5438 3.5438 3.8114 3.8114 4.2887 4.2887 4.3149 4.3149 4.3762 4.3762 4.3923 4.3923 5.5127 5.5127 5.5456 5.5456 8.0176 8.0176 8.5559 8.5559 8.5691 8.5691 8.8302 8.8302 9.1018 9.1018 9.4502 9.4502 k = 0.0714-0.0412 0.0583 ( 29743 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9604 -44.9604 -14.8759 -14.8759 -14.8661 -14.8661 -8.0749 -8.0749 -7.3760 -7.3760 -7.3661 -7.3661 -7.3653 -7.3653 -7.1781 -7.1781 -7.1698 -7.1698 -3.7448 -3.7448 -3.6830 -3.6830 -2.4029 -2.4029 -2.4013 -2.4013 -2.2788 -2.2788 -2.2767 -2.2767 -0.2999 -0.2999 0.2567 0.2567 0.2774 0.2774 0.6204 0.6204 0.6268 0.6268 0.8731 0.8731 1.1738 1.1738 1.1946 1.1946 1.5668 1.5668 2.6988 2.6988 2.7056 2.7056 2.9935 2.9935 3.1198 3.1198 3.1310 3.1310 3.1405 3.1405 3.5401 3.5401 3.7996 3.7996 4.2624 4.2624 4.3069 4.3069 4.3593 4.3593 4.3866 4.3866 5.4860 5.4860 5.5439 5.5439 8.0429 8.0429 8.5748 8.5748 8.5980 8.5980 8.8695 8.8695 9.1239 9.1239 9.4613 9.4613 k = 0.0893-0.0515 0.0729 ( 29715 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8758 -14.8758 -14.8662 -14.8662 -8.0719 -8.0719 -7.3770 -7.3770 -7.3673 -7.3673 -7.3661 -7.3661 -7.1824 -7.1824 -7.1696 -7.1696 -3.7421 -3.7421 -3.6818 -3.6818 -2.3988 -2.3988 -2.3963 -2.3963 -2.2775 -2.2775 -2.2741 -2.2741 -0.2860 -0.2860 0.2458 0.2458 0.2773 0.2773 0.6169 0.6169 0.6269 0.6269 0.8736 0.8736 1.1744 1.1744 1.2062 1.2062 1.5746 1.5746 2.6919 2.6919 2.7022 2.7022 2.9863 2.9863 3.1093 3.1093 3.1275 3.1275 3.1412 3.1412 3.5358 3.5358 3.7844 3.7844 4.2302 4.2302 4.2955 4.2955 4.3389 4.3389 4.3793 4.3793 5.4523 5.4523 5.5418 5.5418 8.0753 8.0753 8.5990 8.5990 8.6348 8.6348 8.9193 8.9193 9.1516 9.1516 9.4750 9.4750 k = 0.1071-0.0619 0.0875 ( 29747 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9604 -44.9604 -14.8757 -14.8757 -14.8663 -14.8663 -8.0683 -8.0683 -7.3783 -7.3783 -7.3688 -7.3688 -7.3672 -7.3672 -7.1876 -7.1876 -7.1693 -7.1693 -3.7390 -3.7390 -3.6804 -3.6804 -2.3939 -2.3939 -2.3903 -2.3903 -2.2759 -2.2759 -2.2711 -2.2711 -0.2692 -0.2692 0.2334 0.2334 0.2772 0.2772 0.6126 0.6126 0.6271 0.6271 0.8742 0.8742 1.1749 1.1749 1.2199 1.2199 1.5839 1.5839 2.6836 2.6836 2.6980 2.6980 2.9784 2.9784 3.0968 3.0968 3.1234 3.1234 3.1413 3.1413 3.5312 3.5312 3.7658 3.7658 4.1930 4.1930 4.2792 4.2792 4.3173 4.3173 4.3705 4.3705 5.4121 5.4121 5.5394 5.5394 8.1145 8.1145 8.6285 8.6285 8.6791 8.6791 8.9790 8.9790 9.1844 9.1844 9.4916 9.4916 k = 0.1250-0.0722 0.1021 ( 29719 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8755 -14.8755 -14.8664 -14.8664 -8.0640 -8.0640 -7.3798 -7.3798 -7.3704 -7.3704 -7.3683 -7.3683 -7.1937 -7.1937 -7.1689 -7.1689 -3.7353 -3.7353 -3.6788 -3.6788 -2.3883 -2.3883 -2.3833 -2.3833 -2.2741 -2.2741 -2.2677 -2.2677 -0.2498 -0.2498 0.2198 0.2198 0.2771 0.2771 0.6075 0.6075 0.6274 0.6274 0.8751 0.8751 1.1756 1.1756 1.2353 1.2353 1.5946 1.5946 2.6742 2.6742 2.6928 2.6928 2.9701 2.9701 3.0822 3.0822 3.1189 3.1189 3.1406 3.1406 3.5265 3.5265 3.7437 3.7437 4.1514 4.1514 4.2552 4.2552 4.2973 4.2973 4.3607 4.3607 5.3661 5.3661 5.5367 5.5367 8.1603 8.1603 8.6632 8.6632 8.7308 8.7308 9.0480 9.0480 9.2217 9.2217 9.5117 9.5117 k = 0.1429-0.0825 0.1166 ( 29691 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8753 -14.8753 -14.8665 -14.8665 -8.0592 -8.0592 -7.3816 -7.3816 -7.3721 -7.3721 -7.3697 -7.3697 -7.2005 -7.2005 -7.1685 -7.1685 -3.7312 -3.7312 -3.6770 -3.6770 -2.3819 -2.3819 -2.3755 -2.3755 -2.2721 -2.2721 -2.2639 -2.2639 -0.2282 -0.2282 0.2056 0.2056 0.2770 0.2770 0.6017 0.6017 0.6277 0.6277 0.8762 0.8762 1.1762 1.1762 1.2523 1.2523 1.6065 1.6065 2.6636 2.6636 2.6866 2.6866 2.9618 2.9618 3.0658 3.0658 3.1142 3.1142 3.1389 3.1389 3.5221 3.5221 3.7184 3.7184 4.1064 4.1064 4.2234 4.2234 4.2797 4.2797 4.3502 4.3502 5.3150 5.3150 5.5338 5.5338 8.2126 8.2126 8.7030 8.7030 8.7893 8.7893 9.1254 9.1254 9.2624 9.2624 9.5360 9.5360 k = 0.1607-0.0928 0.1312 ( 29719 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8751 -14.8751 -14.8666 -14.8666 -8.0539 -8.0539 -7.3836 -7.3836 -7.3739 -7.3739 -7.3711 -7.3711 -7.2082 -7.2082 -7.1681 -7.1681 -3.7268 -3.7268 -3.6750 -3.6750 -2.3750 -2.3750 -2.3669 -2.3669 -2.2698 -2.2698 -2.2597 -2.2597 -0.2047 -0.2047 0.1912 0.1912 0.2769 0.2769 0.5950 0.5950 0.6282 0.6282 0.8775 0.8775 1.1769 1.1769 1.2707 1.2707 1.6196 1.6196 2.6522 2.6522 2.6793 2.6793 2.9538 2.9538 3.0477 3.0477 3.1093 3.1093 3.1361 3.1361 3.5183 3.5183 3.6897 3.6897 4.0588 4.0588 4.1859 4.1859 4.2628 4.2628 4.3392 4.3392 5.2594 5.2594 5.5307 5.5307 8.2708 8.2708 8.7481 8.7481 8.8544 8.8544 9.2103 9.2103 9.3053 9.3053 9.5651 9.5651 k = 0.1786-0.1031 0.1458 ( 29715 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8749 -14.8749 -14.8667 -14.8667 -8.0481 -8.0481 -7.3857 -7.3857 -7.3757 -7.3757 -7.3726 -7.3726 -7.2165 -7.2165 -7.1676 -7.1676 -3.7220 -3.7220 -3.6729 -3.6729 -2.3675 -2.3675 -2.3576 -2.3576 -2.2674 -2.2674 -2.2552 -2.2552 -0.1799 -0.1799 0.1774 0.1774 0.2768 0.2768 0.5876 0.5876 0.6287 0.6287 0.8791 0.8791 1.1775 1.1775 1.2901 1.2901 1.6336 1.6336 2.6399 2.6399 2.6707 2.6707 2.9463 2.9463 3.0283 3.0283 3.1045 3.1045 3.1320 3.1320 3.5154 3.5154 3.6581 3.6581 4.0095 4.0095 4.1442 4.1442 4.2457 4.2457 4.3281 4.3281 5.2002 5.2002 5.5275 5.5275 8.3348 8.3348 8.7981 8.7981 8.9254 8.9254 9.3019 9.3019 9.3491 9.3491 9.6001 9.6001 k = 0.1964-0.1134 0.1604 ( 29723 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8747 -14.8747 -14.8669 -14.8669 -8.0419 -8.0419 -7.3880 -7.3880 -7.3776 -7.3776 -7.3743 -7.3743 -7.2254 -7.2254 -7.1671 -7.1671 -3.7169 -3.7169 -3.6708 -3.6708 -2.3596 -2.3596 -2.3478 -2.3478 -2.2649 -2.2649 -2.2505 -2.2505 -0.1545 -0.1545 0.1651 0.1651 0.2766 0.2766 0.5796 0.5796 0.6294 0.6294 0.8809 0.8809 1.1781 1.1781 1.3104 1.3104 1.6483 1.6483 2.6271 2.6271 2.6608 2.6608 2.9397 2.9397 3.0079 3.0079 3.0999 3.0999 3.1267 3.1267 3.5136 3.5136 3.6236 3.6236 3.9593 3.9593 4.0993 4.0993 4.2278 4.2278 4.3170 4.3170 5.1381 5.1381 5.5243 5.5243 8.4040 8.4040 8.8532 8.8532 9.0018 9.0018 9.3923 9.3923 9.3989 9.3989 9.6417 9.6417 k = 0.2143-0.1237 0.1750 ( 29691 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8745 -14.8745 -14.8670 -14.8670 -8.0353 -8.0353 -7.3904 -7.3904 -7.3794 -7.3794 -7.3760 -7.3760 -7.2348 -7.2348 -7.1666 -7.1666 -3.7116 -3.7116 -3.6685 -3.6685 -2.3514 -2.3514 -2.3374 -2.3374 -2.2622 -2.2622 -2.2456 -2.2456 -0.1296 -0.1296 0.1553 0.1553 0.2764 0.2764 0.5710 0.5710 0.6301 0.6301 0.8830 0.8830 1.1786 1.1786 1.3314 1.3314 1.6635 1.6635 2.6138 2.6138 2.6491 2.6491 2.9342 2.9342 2.9869 2.9869 3.0955 3.0955 3.1202 3.1202 3.5131 3.5131 3.5866 3.5866 3.9089 3.9089 4.0519 4.0519 4.2092 4.2092 4.3061 4.3061 5.0740 5.0740 5.5211 5.5211 8.4780 8.4780 8.9132 8.9132 9.0831 9.0831 9.4337 9.4337 9.5003 9.5003 9.6902 9.6902 k = 0.2321-0.1340 0.1895 ( 29699 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8743 -14.8743 -14.8672 -14.8672 -8.0283 -8.0283 -7.3928 -7.3928 -7.3813 -7.3813 -7.3777 -7.3777 -7.2448 -7.2448 -7.1661 -7.1661 -3.7062 -3.7062 -3.6662 -3.6662 -2.3429 -2.3429 -2.3267 -2.3267 -2.2594 -2.2594 -2.2406 -2.2406 -0.1067 -0.1067 0.1495 0.1495 0.2763 0.2763 0.5618 0.5618 0.6310 0.6310 0.8853 0.8853 1.1790 1.1790 1.3529 1.3529 1.6790 1.6790 2.6002 2.6002 2.6357 2.6357 2.9300 2.9300 2.9659 2.9659 3.0916 3.0916 3.1128 3.1128 3.5139 3.5139 3.5476 3.5476 3.8590 3.8590 4.0026 4.0026 4.1898 4.1898 4.2955 4.2955 5.0088 5.0088 5.5180 5.5180 8.5562 8.5562 8.9780 8.9780 9.1687 9.1687 9.4728 9.4728 9.6047 9.6047 9.7452 9.7452 k = 0.2500-0.1443 0.2041 ( 29706 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8740 -14.8740 -14.8673 -14.8673 -8.0212 -8.0212 -7.3951 -7.3951 -7.3830 -7.3830 -7.3794 -7.3794 -7.2551 -7.2551 -7.1656 -7.1656 -3.7007 -3.7007 -3.6638 -3.6638 -2.3343 -2.3343 -2.3157 -2.3157 -2.2566 -2.2566 -2.2355 -2.2355 -0.0876 -0.0876 0.1495 0.1495 0.2761 0.2761 0.5523 0.5523 0.6320 0.6320 0.8878 0.8878 1.1792 1.1792 1.3747 1.3747 1.6945 1.6945 2.5865 2.5865 2.6201 2.6201 2.9272 2.9272 2.9455 2.9455 3.0880 3.0880 3.1047 3.1047 3.5068 3.5068 3.5159 3.5159 3.8103 3.8103 3.9519 3.9519 4.1697 4.1697 4.2852 4.2852 4.9431 4.9431 5.5149 5.5149 8.6381 8.6381 9.0472 9.0472 9.2578 9.2578 9.5096 9.5096 9.7101 9.7101 9.8055 9.8055 k = 0.2679-0.1546 0.2187 ( 29674 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8738 -14.8738 -14.8675 -14.8675 -8.0139 -8.0139 -7.3974 -7.3974 -7.3848 -7.3848 -7.3812 -7.3812 -7.2657 -7.2657 -7.1651 -7.1651 -3.6952 -3.6952 -3.6615 -3.6615 -2.3256 -2.3256 -2.3047 -2.3047 -2.2538 -2.2538 -2.2305 -2.2305 -0.0741 -0.0741 0.1568 0.1568 0.2759 0.2759 0.5424 0.5424 0.6330 0.6330 0.8905 0.8905 1.1793 1.1793 1.3966 1.3966 1.7099 1.7099 2.5730 2.5730 2.6023 2.6023 2.9261 2.9261 2.9263 2.9263 3.0850 3.0850 3.0963 3.0963 3.4649 3.4649 3.5191 3.5191 3.7634 3.7634 3.9005 3.9005 4.1490 4.1490 4.2752 4.2752 4.8778 4.8778 5.5119 5.5119 8.7229 8.7229 9.1206 9.1206 9.3496 9.3496 9.5446 9.5446 9.8143 9.8143 9.8691 9.8691 k = 0.2857-0.1650 0.2333 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8736 -14.8736 -14.8676 -14.8676 -8.0065 -8.0065 -7.3995 -7.3995 -7.3865 -7.3865 -7.3829 -7.3829 -7.2765 -7.2765 -7.1645 -7.1645 -3.6897 -3.6897 -3.6593 -3.6593 -2.3170 -2.3170 -2.2937 -2.2937 -2.2510 -2.2510 -2.2256 -2.2256 -0.0669 -0.0669 0.1721 0.1721 0.2757 0.2757 0.5324 0.5324 0.6341 0.6341 0.8933 0.8933 1.1793 1.1793 1.4185 1.4185 1.7249 1.7249 2.5596 2.5596 2.5820 2.5820 2.9091 2.9091 2.9264 2.9264 3.0824 3.0824 3.0880 3.0880 3.4223 3.4223 3.5230 3.5230 3.7187 3.7187 3.8490 3.8490 4.1280 4.1280 4.2655 4.2655 4.8139 4.8139 5.5091 5.5091 8.8102 8.8102 9.1976 9.1976 9.4432 9.4432 9.5782 9.5782 9.9133 9.9133 9.9337 9.9337 k = 0.3036-0.1753 0.2479 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8734 -14.8734 -14.8678 -14.8678 -7.9991 -7.9991 -7.4014 -7.4014 -7.3881 -7.3881 -7.3846 -7.3846 -7.2874 -7.2874 -7.1640 -7.1640 -3.6844 -3.6844 -3.6571 -3.6571 -2.3086 -2.3086 -2.2829 -2.2829 -2.2482 -2.2482 -2.2208 -2.2208 -0.0655 -0.0655 0.1943 0.1943 0.2754 0.2754 0.5224 0.5224 0.6353 0.6353 0.8961 0.8961 1.1792 1.1792 1.4401 1.4401 1.7392 1.7392 2.5468 2.5468 2.5594 2.5594 2.8944 2.8944 2.9283 2.9283 3.0802 3.0802 3.0804 3.0804 3.3795 3.3795 3.5269 3.5269 3.6765 3.6765 3.7984 3.7984 4.1066 4.1066 4.2560 4.2560 4.7520 4.7520 5.5064 5.5064 8.8990 8.8990 9.2776 9.2776 9.5370 9.5370 9.6113 9.6113 9.9967 9.9967 10.0007 10.0007 k = 0.3214-0.1856 0.2624 ( 29682 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8732 -14.8732 -14.8679 -14.8679 -7.9918 -7.9918 -7.4029 -7.4029 -7.3896 -7.3896 -7.3862 -7.3862 -7.2983 -7.2983 -7.1635 -7.1635 -3.6793 -3.6793 -3.6550 -3.6550 -2.3005 -2.3005 -2.2725 -2.2725 -2.2455 -2.2455 -2.2162 -2.2162 -0.0682 -0.0682 0.2217 0.2217 0.2752 0.2752 0.5126 0.5126 0.6365 0.6365 0.8990 0.8990 1.1789 1.1789 1.4612 1.4612 1.7526 1.7526 2.5345 2.5345 2.5348 2.5348 2.8827 2.8827 2.9312 2.9312 3.0742 3.0742 3.0781 3.0781 3.3373 3.3373 3.5299 3.5299 3.6373 3.6373 3.7499 3.7499 4.0853 4.0853 4.2466 4.2466 4.6930 4.6930 5.5039 5.5039 8.9887 8.9887 9.3596 9.3596 9.6236 9.6236 9.6506 9.6506 10.0551 10.0551 10.0690 10.0690 k = 0.3393-0.1959 0.2770 ( 29666 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8730 -14.8730 -14.8680 -14.8680 -7.9847 -7.9847 -7.4041 -7.4041 -7.3910 -7.3910 -7.3877 -7.3877 -7.3091 -7.3091 -7.1631 -7.1631 -3.6744 -3.6744 -3.6530 -3.6530 -2.2928 -2.2928 -2.2626 -2.2626 -2.2428 -2.2428 -2.2119 -2.2119 -0.0735 -0.0735 0.2522 0.2522 0.2750 0.2750 0.5031 0.5031 0.6377 0.6377 0.9019 0.9019 1.1785 1.1785 1.4815 1.4815 1.7648 1.7648 2.5087 2.5087 2.5229 2.5229 2.8742 2.8742 2.9349 2.9349 3.0703 3.0703 3.0761 3.0761 3.2962 3.2962 3.5296 3.5296 3.6012 3.6012 3.7059 3.7059 4.0641 4.0641 4.2372 4.2372 4.6377 4.6377 5.5016 5.5016 9.0784 9.0784 9.4423 9.4423 9.6668 9.6668 9.7309 9.7309 10.1063 10.1063 10.1164 10.1164 k = 0.3571-0.2062 0.2916 ( 29658 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8728 -14.8728 -14.8682 -14.8682 -7.9780 -7.9780 -7.4049 -7.4049 -7.3923 -7.3923 -7.3891 -7.3891 -7.3197 -7.3197 -7.1626 -7.1626 -3.6699 -3.6699 -3.6511 -3.6511 -2.2856 -2.2856 -2.2536 -2.2536 -2.2401 -2.2401 -2.2079 -2.2079 -0.0801 -0.0801 0.2747 0.2747 0.2839 0.2839 0.4940 0.4940 0.6389 0.6389 0.9047 0.9047 1.1780 1.1780 1.5008 1.5008 1.7758 1.7758 2.4819 2.4819 2.5122 2.5122 2.8690 2.8690 2.9386 2.9386 3.0697 3.0697 3.0738 3.0738 3.2571 3.2571 3.5222 3.5222 3.5685 3.5685 3.6705 3.6705 4.0433 4.0433 4.2277 4.2277 4.5870 4.5870 5.4995 5.4995 9.1673 9.1673 9.5241 9.5241 9.6968 9.6968 9.8205 9.8205 10.1482 10.1482 10.1485 10.1485 k = 0.3750-0.2165 0.3062 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8726 -14.8726 -14.8683 -14.8683 -7.9717 -7.9717 -7.4051 -7.4051 -7.3934 -7.3934 -7.3904 -7.3904 -7.3300 -7.3300 -7.1622 -7.1622 -3.6658 -3.6658 -3.6495 -3.6495 -2.2790 -2.2790 -2.2459 -2.2459 -2.2369 -2.2369 -2.2043 -2.2043 -0.0871 -0.0871 0.2745 0.2745 0.3155 0.3155 0.4856 0.4856 0.6401 0.6401 0.9073 0.9073 1.1775 1.1775 1.5189 1.5189 1.7854 1.7854 2.4551 2.4551 2.5025 2.5025 2.8670 2.8670 2.9415 2.9415 3.0705 3.0705 3.0733 3.0733 3.2208 3.2208 3.5028 3.5028 3.5393 3.5393 3.6485 3.6485 4.0232 4.0232 4.2180 4.2180 4.5415 4.5415 5.4976 5.4976 9.2542 9.2542 9.6029 9.6029 9.7242 9.7242 9.9069 9.9069 10.1700 10.1700 10.1809 10.1809 k = 0.3929-0.2268 0.3208 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8724 -14.8724 -14.8684 -14.8684 -7.9660 -7.9660 -7.4049 -7.4049 -7.3944 -7.3944 -7.3915 -7.3915 -7.3398 -7.3398 -7.1619 -7.1619 -3.6620 -3.6620 -3.6480 -3.6480 -2.2730 -2.2730 -2.2405 -2.2405 -2.2325 -2.2325 -2.2011 -2.2011 -0.0940 -0.0940 0.2743 0.2743 0.3456 0.3456 0.4780 0.4780 0.6412 0.6412 0.9098 0.9098 1.1769 1.1769 1.5353 1.5353 1.7934 1.7934 2.4295 2.4295 2.4938 2.4938 2.8681 2.8681 2.9432 2.9432 3.0654 3.0654 3.0820 3.0820 3.1886 3.1886 3.4713 3.4713 3.5139 3.5139 3.6400 3.6400 4.0041 4.0041 4.2081 4.2081 4.5019 4.5019 5.4959 5.4959 9.3377 9.3377 9.6762 9.6762 9.7495 9.7495 9.9876 9.9876 10.1855 10.1855 10.2043 10.2043 k = 0.4107-0.2371 0.3353 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8723 -14.8723 -14.8685 -14.8685 -7.9609 -7.9609 -7.4041 -7.4041 -7.3951 -7.3951 -7.3925 -7.3925 -7.3491 -7.3491 -7.1616 -7.1616 -3.6588 -3.6588 -3.6467 -3.6467 -2.2679 -2.2679 -2.2375 -2.2375 -2.2270 -2.2270 -2.1983 -2.1983 -0.1003 -0.1003 0.2741 0.2741 0.3732 0.3732 0.4712 0.4712 0.6422 0.6422 0.9119 0.9119 1.1763 1.1763 1.5499 1.5499 1.7999 1.7999 2.4060 2.4060 2.4864 2.4864 2.8719 2.8719 2.9437 2.9437 3.0575 3.0575 3.0958 3.0958 3.1619 3.1619 3.4326 3.4326 3.4922 3.4922 3.6400 3.6400 3.9865 3.9865 4.1982 4.1982 4.4686 4.4686 5.4945 5.4945 9.4164 9.4164 9.7415 9.7415 9.7722 9.7722 10.0608 10.0608 10.1967 10.1967 10.2200 10.2200 k = 0.4286-0.2474 0.3499 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8722 -14.8722 -14.8685 -14.8685 -7.9565 -7.9565 -7.4029 -7.4029 -7.3954 -7.3954 -7.3934 -7.3934 -7.3579 -7.3579 -7.1613 -7.1613 -3.6561 -3.6561 -3.6456 -3.6456 -2.2635 -2.2635 -2.2356 -2.2356 -2.2218 -2.2218 -2.1960 -2.1960 -0.1057 -0.1057 0.2739 0.2739 0.3973 0.3973 0.4656 0.4656 0.6431 0.6431 0.9138 0.9138 1.1758 1.1758 1.5623 1.5623 1.8048 1.8048 2.3854 2.3854 2.4802 2.4802 2.8781 2.8781 2.9431 2.9431 3.0458 3.0458 3.1147 3.1147 3.1422 3.1422 3.3910 3.3910 3.4744 3.4744 3.6440 3.6440 3.9709 3.9709 4.1887 4.1887 4.4420 4.4420 5.4933 5.4933 9.4881 9.4881 9.7919 9.7919 9.7960 9.7960 10.1244 10.1244 10.2049 10.2049 10.2301 10.2301 k = 0.4464-0.2577 0.3645 ( 29650 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8721 -14.8721 -14.8686 -14.8686 -7.9531 -7.9531 -7.4015 -7.4015 -7.3950 -7.3950 -7.3940 -7.3940 -7.3659 -7.3659 -7.1611 -7.1611 -3.6540 -3.6540 -3.6448 -3.6448 -2.2601 -2.2601 -2.2342 -2.2342 -2.2174 -2.2174 -2.1942 -2.1942 -0.1101 -0.1101 0.2737 0.2737 0.4171 0.4171 0.4610 0.4610 0.6439 0.6439 0.9153 0.9153 1.1754 1.1754 1.5723 1.5723 1.8085 1.8085 2.3686 2.3686 2.4753 2.4753 2.8860 2.8860 2.9420 2.9420 3.0310 3.0310 3.1295 3.1295 3.1381 3.1381 3.3490 3.3490 3.4606 3.4606 3.6493 3.6493 3.9578 3.9578 4.1801 4.1801 4.4217 4.4217 5.4924 5.4924 9.5499 9.5499 9.8080 9.8080 9.8381 9.8381 10.1764 10.1764 10.2109 10.2109 10.2362 10.2362 k = 0.4643-0.2681 0.3791 ( 29650 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8720 -14.8720 -14.8686 -14.8686 -7.9505 -7.9505 -7.4005 -7.4005 -7.3945 -7.3945 -7.3934 -7.3934 -7.3731 -7.3731 -7.1610 -7.1610 -3.6524 -3.6524 -3.6442 -3.6442 -2.2576 -2.2576 -2.2333 -2.2333 -2.2142 -2.2142 -2.1929 -2.1929 -0.1133 -0.1133 0.2736 0.2736 0.4318 0.4318 0.4577 0.4577 0.6445 0.6445 0.9164 0.9164 1.1750 1.1750 1.5796 1.5796 1.8109 1.8109 2.3561 2.3561 2.4718 2.4718 2.8944 2.8944 2.9409 2.9409 3.0158 3.0158 3.1222 3.1222 3.1655 3.1655 3.3081 3.3081 3.4507 3.4507 3.6541 3.6541 3.9478 3.9478 4.1733 4.1733 4.4077 4.4077 5.4917 5.4917 9.5986 9.5986 9.8200 9.8200 9.8668 9.8668 10.2149 10.2149 10.2151 10.2151 10.2396 10.2396 k = 0.4821-0.2784 0.3937 ( 29666 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8720 -14.8720 -14.8687 -14.8687 -7.9490 -7.9490 -7.4000 -7.4000 -7.3948 -7.3948 -7.3903 -7.3903 -7.3793 -7.3793 -7.1609 -7.1609 -3.6515 -3.6515 -3.6438 -3.6438 -2.2561 -2.2561 -2.2328 -2.2328 -2.2123 -2.2123 -2.1921 -2.1921 -0.1153 -0.1153 0.2735 0.2735 0.4408 0.4408 0.4557 0.4557 0.6449 0.6449 0.9170 0.9170 1.1748 1.1748 1.5840 1.5840 1.8122 1.8122 2.3485 2.3485 2.4697 2.4697 2.9015 2.9015 2.9401 2.9401 3.0039 3.0039 3.1185 3.1185 3.1962 3.1962 3.2692 3.2692 3.4447 3.4447 3.6574 3.6574 3.9416 3.9416 4.1689 4.1689 4.3995 4.3995 5.4913 5.4913 9.6301 9.6301 9.8274 9.8274 9.8831 9.8831 10.2172 10.2172 10.2390 10.2390 10.2413 10.2413 k = 0.5000-0.2887 0.4082 ( 29698 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8720 -14.8720 -14.8687 -14.8687 -7.9485 -7.9485 -7.3999 -7.3999 -7.3949 -7.3949 -7.3875 -7.3875 -7.3831 -7.3831 -7.1608 -7.1608 -3.6512 -3.6512 -3.6437 -3.6437 -2.2556 -2.2556 -2.2326 -2.2326 -2.2116 -2.2116 -2.1918 -2.1918 -0.1159 -0.1159 0.2735 0.2735 0.4439 0.4439 0.4550 0.4550 0.6450 0.6450 0.9173 0.9173 1.1747 1.1747 1.5855 1.5855 1.8126 1.8126 2.3459 2.3459 2.4690 2.4690 2.9044 2.9044 2.9398 2.9398 2.9993 2.9993 3.1173 3.1173 3.2235 3.2235 3.2392 3.2392 3.4428 3.4428 3.6586 3.6586 3.9394 3.9394 4.1673 4.1673 4.3967 4.3967 5.4912 5.4912 9.6411 9.6411 9.8299 9.8299 9.8882 9.8882 10.2180 10.2180 10.2418 10.2418 10.2471 10.2471 k = 0.5000-0.2887 0.4082 ( 29698 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8720 -14.8720 -14.8687 -14.8687 -7.9485 -7.9485 -7.3999 -7.3999 -7.3949 -7.3949 -7.3875 -7.3875 -7.3831 -7.3831 -7.1608 -7.1608 -3.6512 -3.6512 -3.6437 -3.6437 -2.2556 -2.2556 -2.2326 -2.2326 -2.2116 -2.2116 -2.1918 -2.1918 -0.1159 -0.1159 0.2735 0.2735 0.4439 0.4439 0.4550 0.4550 0.6450 0.6450 0.9173 0.9173 1.1747 1.1747 1.5855 1.5855 1.8126 1.8126 2.3459 2.3459 2.4690 2.4690 2.9044 2.9044 2.9398 2.9398 2.9993 2.9993 3.1173 3.1173 3.2235 3.2235 3.2392 3.2392 3.4428 3.4428 3.6586 3.6586 3.9394 3.9394 4.1673 4.1673 4.3967 4.3967 5.4912 5.4912 9.6411 9.6411 9.8299 9.8299 9.8882 9.8882 10.2180 10.2180 10.2418 10.2418 10.2471 10.2471 k = 0.5000-0.2681 0.4228 ( 29672 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8720 -14.8720 -14.8687 -14.8687 -7.9483 -7.9483 -7.4064 -7.4064 -7.3971 -7.3971 -7.3839 -7.3839 -7.3778 -7.3778 -7.1612 -7.1612 -3.6512 -3.6512 -3.6437 -3.6437 -2.2554 -2.2554 -2.2326 -2.2326 -2.2117 -2.2117 -2.1920 -2.1920 -0.1151 -0.1151 0.2725 0.2725 0.4433 0.4433 0.4557 0.4557 0.6446 0.6446 0.9170 0.9170 1.1761 1.1761 1.5848 1.5848 1.8128 1.8128 2.3454 2.3454 2.4700 2.4700 2.9018 2.9018 2.9333 2.9333 3.0072 3.0072 3.1179 3.1179 3.2231 3.2231 3.2410 3.2410 3.4419 3.4419 3.6601 3.6601 3.9346 3.9346 4.1697 4.1697 4.3991 4.3991 5.4889 5.4889 9.6407 9.6407 9.8328 9.8328 9.8913 9.8913 10.2201 10.2201 10.2410 10.2410 10.2474 10.2474 k = 0.5000-0.2474 0.4374 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8719 -14.8719 -14.8687 -14.8687 -7.9480 -7.9480 -7.4180 -7.4180 -7.3973 -7.3973 -7.3838 -7.3838 -7.3654 -7.3654 -7.1622 -7.1622 -3.6511 -3.6511 -3.6438 -3.6438 -2.2550 -2.2550 -2.2325 -2.2325 -2.2118 -2.2118 -2.1926 -2.1926 -0.1125 -0.1125 0.2695 0.2695 0.4415 0.4415 0.4575 0.4575 0.6434 0.6434 0.9163 0.9163 1.1800 1.1800 1.5828 1.5828 1.8134 1.8134 2.3441 2.3441 2.4731 2.4731 2.8933 2.8933 2.9209 2.9209 3.0240 3.0240 3.1193 3.1193 3.2218 3.2218 3.2463 3.2463 3.4393 3.4393 3.6644 3.6644 3.9215 3.9215 4.1752 4.1752 4.4066 4.4066 5.4822 5.4822 9.6392 9.6392 9.8414 9.8414 9.9007 9.9007 10.2265 10.2265 10.2389 10.2389 10.2482 10.2482 k = 0.5000-0.2268 0.4520 ( 29656 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8719 -14.8719 -14.8688 -14.8688 -7.9474 -7.9474 -7.4298 -7.4298 -7.3972 -7.3972 -7.3840 -7.3840 -7.3525 -7.3525 -7.1638 -7.1638 -3.6510 -3.6510 -3.6439 -3.6439 -2.2542 -2.2542 -2.2324 -2.2324 -2.2120 -2.2120 -2.1935 -2.1935 -0.1083 -0.1083 0.2644 0.2644 0.4388 0.4388 0.4605 0.4605 0.6414 0.6414 0.9151 0.9151 1.1864 1.1864 1.5792 1.5792 1.8145 1.8145 2.3422 2.3422 2.4779 2.4779 2.8791 2.8791 2.9098 2.9098 3.0428 3.0428 3.1213 3.1213 3.2198 3.2198 3.2552 3.2552 3.4353 3.4353 3.6717 3.6717 3.9025 3.9025 4.1801 4.1801 4.4202 4.4202 5.4711 5.4711 9.6370 9.6370 9.8557 9.8557 9.9163 9.9163 10.2359 10.2359 10.2370 10.2370 10.2495 10.2495 k = 0.5000-0.2062 0.4666 ( 29658 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8718 -14.8718 -14.8688 -14.8688 -7.9466 -7.9466 -7.4412 -7.4412 -7.3970 -7.3970 -7.3842 -7.3842 -7.3396 -7.3396 -7.1661 -7.1661 -3.6509 -3.6509 -3.6441 -3.6441 -2.2532 -2.2532 -2.2323 -2.2323 -2.2122 -2.2122 -2.1947 -2.1947 -0.1024 -0.1024 0.2574 0.2574 0.4355 0.4355 0.4646 0.4646 0.6387 0.6387 0.9136 0.9136 1.1951 1.1951 1.5741 1.5741 1.8162 1.8162 2.3398 2.3398 2.4842 2.4842 2.8617 2.8617 2.8998 2.8998 3.0609 3.0609 3.1238 3.1238 3.2170 3.2170 3.2675 3.2675 3.4304 3.4304 3.6818 3.6818 3.8800 3.8800 4.1810 4.1810 4.4408 4.4408 5.4559 5.4559 9.6340 9.6340 9.8755 9.8755 9.9381 9.9381 10.2327 10.2327 10.2503 10.2503 10.2519 10.2519 k = 0.5000-0.1856 0.4811 ( 29658 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8717 -14.8717 -14.8689 -14.8689 -7.9456 -7.9456 -7.4520 -7.4520 -7.3967 -7.3967 -7.3845 -7.3845 -7.3267 -7.3267 -7.1690 -7.1690 -3.6507 -3.6507 -3.6443 -3.6443 -2.2519 -2.2519 -2.2322 -2.2322 -2.2125 -2.2125 -2.1962 -2.1962 -0.0951 -0.0951 0.2484 0.2484 0.4318 0.4318 0.4698 0.4698 0.6352 0.6352 0.9117 0.9117 1.2057 1.2057 1.5671 1.5671 1.8187 1.8187 2.3373 2.3373 2.4915 2.4915 2.8439 2.8439 2.8901 2.8901 3.0772 3.0772 3.1263 3.1263 3.2135 3.2135 3.2830 3.2830 3.4252 3.4252 3.6948 3.6948 3.8558 3.8558 4.1760 4.1760 4.4682 4.4682 5.4369 5.4369 9.6305 9.6305 9.9005 9.9005 9.9659 9.9659 10.2296 10.2296 10.2528 10.2528 10.2686 10.2686 k = 0.5000-0.1650 0.4957 ( 29662 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8716 -14.8716 -14.8690 -14.8690 -7.9445 -7.9445 -7.4621 -7.4621 -7.3963 -7.3963 -7.3848 -7.3848 -7.3140 -7.3140 -7.1726 -7.1726 -3.6505 -3.6505 -3.6445 -3.6445 -2.2504 -2.2504 -2.2320 -2.2320 -2.2129 -2.2129 -2.1980 -2.1980 -0.0864 -0.0864 0.2376 0.2376 0.4280 0.4280 0.4759 0.4759 0.6310 0.6310 0.9097 0.9097 1.2179 1.2179 1.5585 1.5585 1.8220 1.8220 2.3348 2.3348 2.4994 2.4994 2.8267 2.8267 2.8801 2.8801 3.0911 3.0911 3.1286 3.1286 3.2095 3.2095 3.3009 3.3009 3.4205 3.4205 3.7105 3.7105 3.8313 3.8313 4.1650 4.1650 4.5011 4.5011 5.4146 5.4146 9.6267 9.6267 9.9305 9.9305 9.9998 9.9998 10.2272 10.2272 10.2546 10.2546 10.2885 10.2885 k = 0.5000-0.1443 0.5103 ( 29666 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8715 -14.8715 -14.8691 -14.8691 -7.9434 -7.9434 -7.4713 -7.4713 -7.3960 -7.3960 -7.3852 -7.3852 -7.3016 -7.3016 -7.1769 -7.1769 -3.6502 -3.6502 -3.6448 -3.6448 -2.2487 -2.2487 -2.2319 -2.2319 -2.2133 -2.2133 -2.2000 -2.2000 -0.0765 -0.0765 0.2252 0.2252 0.4245 0.4245 0.4828 0.4828 0.6261 0.6261 0.9075 0.9075 1.2313 1.2313 1.5483 1.5483 1.8260 1.8260 2.3325 2.3325 2.5076 2.5076 2.8108 2.8108 2.8702 2.8702 3.1025 3.1025 3.1305 3.1305 3.2050 3.2050 3.3199 3.3199 3.4169 3.4169 3.7282 3.7282 3.8077 3.8077 4.1485 4.1485 4.5378 4.5378 5.3897 5.3897 9.6227 9.6227 9.9648 9.9648 10.0396 10.0396 10.2259 10.2259 10.2563 10.2563 10.3099 10.3099 k = 0.5000-0.1237 0.5249 ( 29658 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8714 -14.8714 -14.8693 -14.8693 -7.9422 -7.9422 -7.4796 -7.4796 -7.3956 -7.3956 -7.3856 -7.3856 -7.2895 -7.2895 -7.1818 -7.1818 -3.6499 -3.6499 -3.6452 -3.6452 -2.2468 -2.2468 -2.2318 -2.2318 -2.2137 -2.2137 -2.2021 -2.2021 -0.0657 -0.0657 0.2117 0.2117 0.4213 0.4213 0.4902 0.4902 0.6207 0.6207 0.9054 0.9054 1.2454 1.2454 1.5367 1.5367 1.8305 1.8305 2.3305 2.3305 2.5156 2.5156 2.7966 2.7966 2.8607 2.8607 3.1116 3.1116 3.1320 3.1320 3.2005 3.2005 3.3382 3.3382 3.4159 3.4159 3.7449 3.7449 3.7886 3.7886 4.1275 4.1275 4.5763 4.5763 5.3628 5.3628 9.6188 9.6188 10.0031 10.0031 10.0850 10.0850 10.2258 10.2258 10.2577 10.2577 10.3317 10.3317 k = 0.5000-0.1031 0.5395 ( 29636 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8712 -14.8712 -14.8694 -14.8694 -7.9411 -7.9411 -7.4868 -7.4868 -7.3951 -7.3951 -7.3860 -7.3860 -7.2778 -7.2778 -7.1873 -7.1873 -3.6496 -3.6496 -3.6455 -3.6455 -2.2447 -2.2447 -2.2317 -2.2317 -2.2141 -2.2141 -2.2042 -2.2042 -0.0544 -0.0544 0.1976 0.1976 0.4186 0.4186 0.4981 0.4981 0.6148 0.6148 0.9034 0.9034 1.2598 1.2598 1.5243 1.5243 1.8353 1.8353 2.3288 2.3288 2.5232 2.5232 2.7842 2.7842 2.8518 2.8518 3.1186 3.1186 3.1330 3.1330 3.1961 3.1961 3.3532 3.3532 3.4190 3.4190 3.7449 3.7449 3.7900 3.7900 4.1028 4.1028 4.6149 4.6149 5.3351 5.3351 9.6151 9.6151 10.0442 10.0442 10.1356 10.1356 10.2269 10.2269 10.2589 10.2589 10.3526 10.3526 k = 0.5000-0.0825 0.5541 ( 29632 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8696 -14.8696 -7.9401 -7.9401 -7.4929 -7.4929 -7.3947 -7.3947 -7.3864 -7.3864 -7.2665 -7.2665 -7.1934 -7.1934 -3.6492 -3.6492 -3.6459 -3.6459 -2.2425 -2.2425 -2.2318 -2.2318 -2.2145 -2.2145 -2.2063 -2.2063 -0.0430 -0.0430 0.1836 0.1836 0.4164 0.4164 0.5059 0.5059 0.6086 0.6086 0.9016 0.9016 1.2739 1.2739 1.5117 1.5117 1.8399 1.8399 2.3274 2.3274 2.5299 2.5299 2.7738 2.7738 2.8439 2.8439 3.1237 3.1237 3.1337 3.1337 3.1924 3.1924 3.3626 3.3626 3.4277 3.4277 3.7282 3.7282 3.8121 3.8121 4.0752 4.0752 4.6515 4.6515 5.3079 5.3079 9.6119 9.6119 10.0870 10.0870 10.1899 10.1899 10.2296 10.2296 10.2604 10.2604 10.3713 10.3713 k = 0.5000-0.0619 0.5686 ( 29644 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8709 -14.8709 -14.8698 -14.8698 -7.9393 -7.9393 -7.4977 -7.4977 -7.3944 -7.3944 -7.3868 -7.3868 -7.2559 -7.2559 -7.2001 -7.2001 -3.6489 -3.6489 -3.6463 -3.6463 -2.2404 -2.2404 -2.2321 -2.2321 -2.2149 -2.2149 -2.2082 -2.2082 -0.0323 -0.0323 0.1706 0.1706 0.4147 0.4147 0.5134 0.5134 0.6026 0.6026 0.9001 0.9001 1.2867 1.2867 1.4998 1.4998 1.8440 1.8440 2.3264 2.3264 2.5356 2.5356 2.7656 2.7656 2.8373 2.8373 3.1272 3.1272 3.1341 3.1341 3.1895 3.1895 3.3669 3.3669 3.4402 3.4402 3.7101 3.7101 3.8397 3.8397 4.0457 4.0457 4.6840 4.6840 5.2830 5.2830 9.6092 9.6092 10.1290 10.1290 10.2287 10.2287 10.2431 10.2431 10.2716 10.2716 10.3870 10.3870 k = 0.5000-0.0412 0.5832 ( 29668 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8707 -14.8707 -14.8700 -14.8700 -7.9386 -7.9386 -7.5012 -7.5012 -7.3940 -7.3940 -7.3871 -7.3871 -7.2459 -7.2459 -7.2072 -7.2072 -3.6485 -3.6485 -3.6467 -3.6467 -2.2383 -2.2383 -2.2326 -2.2326 -2.2152 -2.2152 -2.2097 -2.2097 -0.0233 -0.0233 0.1598 0.1598 0.4135 0.4135 0.5198 0.5198 0.5973 0.5973 0.8989 0.8989 1.2974 1.2974 1.4898 1.4898 1.8472 1.8472 2.3257 2.3257 2.5398 2.5398 2.7597 2.7597 2.8324 2.8324 3.1292 3.1292 3.1344 3.1344 3.1875 3.1875 3.3684 3.3684 3.4527 3.4527 3.6948 3.6948 3.8692 3.8692 4.0153 4.0153 4.7101 4.7101 5.2626 5.2626 9.6073 9.6073 10.1667 10.1667 10.2337 10.2337 10.2519 10.2519 10.3246 10.3246 10.3988 10.3988 k = 0.5000-0.0206 0.5978 ( 29662 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8701 -14.8701 -7.9382 -7.9382 -7.5034 -7.5034 -7.3938 -7.3938 -7.3873 -7.3873 -7.2371 -7.2371 -7.2142 -7.2142 -3.6482 -3.6482 -3.6471 -3.6471 -2.2365 -2.2365 -2.2334 -2.2334 -2.2154 -2.2154 -2.2107 -2.2107 -0.0171 -0.0171 0.1525 0.1525 0.4127 0.4127 0.5243 0.5243 0.5934 0.5934 0.8982 0.8982 1.3045 1.3045 1.4829 1.4829 1.8492 1.8492 2.3253 2.3253 2.5424 2.5424 2.7562 2.7562 2.8293 2.8293 3.1302 3.1302 3.1346 3.1346 3.1863 3.1863 3.3687 3.3687 3.4620 3.4620 3.6844 3.6844 3.8972 3.8972 3.9868 3.9868 4.7271 4.7271 5.2490 5.2490 9.6061 9.6061 10.1940 10.1940 10.2366 10.2366 10.2520 10.2520 10.3865 10.3865 10.4092 10.4092 k = 0.5000 0.0000 0.6124 ( 29716 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9381 -7.9381 -7.5041 -7.5041 -7.3938 -7.3938 -7.3874 -7.3874 -7.2323 -7.2323 -7.2183 -7.2183 -3.6480 -3.6480 -3.6473 -3.6473 -2.2354 -2.2354 -2.2341 -2.2341 -2.2155 -2.2155 -2.2110 -2.2110 -0.0149 -0.0149 0.1499 0.1499 0.4125 0.4125 0.5260 0.5260 0.5920 0.5920 0.8980 0.8980 1.3071 1.3071 1.4805 1.4805 1.8499 1.8499 2.3251 2.3251 2.5433 2.5433 2.7550 2.7550 2.8282 2.8282 3.1304 3.1304 3.1346 3.1346 3.1860 3.1860 3.3688 3.3688 3.4653 3.4653 3.6807 3.6807 3.9124 3.9124 3.9714 3.9714 4.7331 4.7331 5.2442 5.2442 9.6056 9.6056 10.2042 10.2042 10.2378 10.2378 10.2516 10.2516 10.4041 10.4041 10.4410 10.4410 k = 0.5000 0.0000 0.6124 ( 29716 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9381 -7.9381 -7.5041 -7.5041 -7.3938 -7.3938 -7.3874 -7.3874 -7.2323 -7.2323 -7.2183 -7.2183 -3.6480 -3.6480 -3.6473 -3.6473 -2.2354 -2.2354 -2.2341 -2.2341 -2.2155 -2.2155 -2.2110 -2.2110 -0.0149 -0.0149 0.1499 0.1499 0.4125 0.4125 0.5260 0.5260 0.5920 0.5920 0.8980 0.8980 1.3071 1.3071 1.4805 1.4805 1.8499 1.8499 2.3251 2.3251 2.5433 2.5433 2.7550 2.7550 2.8282 2.8282 3.1304 3.1304 3.1346 3.1346 3.1860 3.1860 3.3688 3.3688 3.4653 3.4653 3.6807 3.6807 3.9124 3.9124 3.9714 3.9714 4.7331 4.7331 5.2442 5.2442 9.6056 9.6056 10.2042 10.2042 10.2378 10.2378 10.2516 10.2516 10.4041 10.4041 10.4410 10.4410 k = 0.4875 0.0217 0.6124 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8702 -14.8702 -7.9383 -7.9383 -7.5040 -7.5040 -7.3935 -7.3935 -7.3871 -7.3871 -7.2349 -7.2349 -7.2161 -7.2161 -3.6481 -3.6481 -3.6472 -3.6472 -2.2361 -2.2361 -2.2340 -2.2340 -2.2155 -2.2155 -2.2108 -2.2108 -0.0156 -0.0156 0.1512 0.1512 0.4114 0.4114 0.5257 0.5257 0.5928 0.5928 0.8981 0.8981 1.3049 1.3049 1.4817 1.4817 1.8503 1.8503 2.3255 2.3255 2.5434 2.5434 2.7557 2.7557 2.8283 2.8283 3.1233 3.1233 3.1392 3.1392 3.1891 3.1891 3.3688 3.3688 3.4640 3.4640 3.6841 3.6841 3.9043 3.9043 3.9794 3.9794 4.7312 4.7312 5.2465 5.2465 9.6034 9.6034 10.1937 10.1937 10.2303 10.2303 10.2504 10.2504 10.4038 10.4038 10.4220 10.4220 k = 0.4750 0.0433 0.6124 ( 29671 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8701 -14.8701 -7.9387 -7.9387 -7.5039 -7.5039 -7.3927 -7.3927 -7.3863 -7.3863 -7.2402 -7.2402 -7.2118 -7.2118 -3.6484 -3.6484 -3.6472 -3.6472 -2.2374 -2.2374 -2.2343 -2.2343 -2.2153 -2.2153 -2.2102 -2.2102 -0.0177 -0.0177 0.1548 0.1548 0.4082 0.4082 0.5249 0.5249 0.5950 0.5950 0.8984 0.8984 1.2988 1.2988 1.4852 1.4852 1.8514 1.8514 2.3262 2.3262 2.5434 2.5434 2.7575 2.7575 2.8281 2.8281 3.1130 3.1130 3.1434 3.1434 3.1966 3.1966 3.3690 3.3690 3.4601 3.4601 3.6935 3.6935 3.8874 3.8874 3.9956 3.9956 4.7257 4.7257 5.2533 5.2533 9.5968 9.5968 10.1610 10.1610 10.2070 10.2070 10.2529 10.2529 10.3845 10.3845 10.4286 10.4286 k = 0.4625 0.0650 0.6124 ( 29651 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8707 -14.8707 -14.8700 -14.8700 -7.9393 -7.9393 -7.5038 -7.5038 -7.3915 -7.3915 -7.3849 -7.3849 -7.2464 -7.2464 -7.2073 -7.2073 -3.6487 -3.6487 -3.6473 -3.6473 -2.2390 -2.2390 -2.2350 -2.2350 -2.2151 -2.2151 -2.2093 -2.2093 -0.0209 -0.0209 0.1605 0.1605 0.4032 0.4032 0.5241 0.5241 0.5979 0.5979 0.8989 0.8989 1.2897 1.2897 1.4906 1.4906 1.8530 1.8530 2.3272 2.3272 2.5436 2.5436 2.7603 2.7603 2.8277 2.8277 3.1030 3.1030 3.1468 3.1468 3.2059 3.2059 3.3691 3.3691 3.4546 3.4546 3.7074 3.7074 3.8690 3.8690 4.0131 4.0131 4.7171 4.7171 5.2636 5.2636 9.5864 9.5864 10.1127 10.1127 10.1784 10.1784 10.2575 10.2575 10.3706 10.3706 10.4455 10.4455 k = 0.4500 0.0866 0.6124 ( 29642 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8699 -14.8699 -7.9400 -7.9400 -7.5038 -7.5038 -7.3903 -7.3903 -7.3827 -7.3827 -7.2528 -7.2528 -7.2032 -7.2032 -3.6490 -3.6490 -3.6474 -3.6474 -2.2405 -2.2405 -2.2361 -2.2361 -2.2149 -2.2149 -2.2082 -2.2082 -0.0247 -0.0247 0.1676 0.1676 0.3970 0.3970 0.5233 0.5233 0.6013 0.6013 0.8995 0.8995 1.2790 1.2790 1.4970 1.4970 1.8548 1.8548 2.3284 2.3284 2.5437 2.5437 2.7638 2.7638 2.8266 2.8266 3.0941 3.0941 3.1496 3.1496 3.2152 3.2152 3.3691 3.3691 3.4486 3.4486 3.7235 3.7235 3.8515 3.8515 4.0297 4.0297 4.7060 4.7060 5.2763 5.2763 9.5730 9.5730 10.0598 10.0598 10.1507 10.1507 10.2629 10.2629 10.3632 10.3632 10.4613 10.4613 k = 0.4375 0.1083 0.6124 ( 29657 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8698 -14.8698 -7.9408 -7.9408 -7.5039 -7.5039 -7.3893 -7.3893 -7.3796 -7.3796 -7.2592 -7.2592 -7.1995 -7.1995 -3.6493 -3.6493 -3.6475 -3.6475 -2.2420 -2.2420 -2.2373 -2.2373 -2.2148 -2.2148 -2.2071 -2.2071 -0.0288 -0.0288 0.1756 0.1756 0.3901 0.3901 0.5226 0.5226 0.6046 0.6046 0.9000 0.9000 1.2678 1.2678 1.5038 1.5038 1.8567 1.8567 2.3294 2.3294 2.5439 2.5439 2.7677 2.7677 2.8249 2.8249 3.0870 3.0870 3.1520 3.1520 3.2235 3.2235 3.3686 3.3686 3.4434 3.4434 3.7391 3.7391 3.8369 3.8369 4.0444 4.0444 4.6936 4.6936 5.2901 5.2901 9.5577 9.5577 10.0096 10.0096 10.1270 10.1270 10.2688 10.2688 10.3587 10.3587 10.4724 10.4724 k = 0.4250 0.1299 0.6124 ( 29653 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8709 -14.8709 -14.8698 -14.8698 -7.9415 -7.9415 -7.5040 -7.5040 -7.3886 -7.3886 -7.3760 -7.3760 -7.2652 -7.2652 -7.1965 -7.1965 -3.6496 -3.6496 -3.6477 -3.6477 -2.2434 -2.2434 -2.2385 -2.2385 -2.2146 -2.2146 -2.2061 -2.2061 -0.0327 -0.0327 0.1837 0.1837 0.3831 0.3831 0.5221 0.5221 0.6077 0.6077 0.9006 0.9006 1.2572 1.2572 1.5101 1.5101 1.8584 1.8584 2.3304 2.3304 2.5441 2.5441 2.7719 2.7719 2.8225 2.8225 3.0817 3.0817 3.1541 3.1541 3.2302 3.2302 3.3678 3.3678 3.4398 3.4398 3.7512 3.7512 3.8271 3.8271 4.0570 4.0570 4.6812 4.6812 5.3035 5.3035 9.5422 9.5422 9.9657 9.9657 10.1081 10.1081 10.2744 10.2744 10.3552 10.3552 10.4773 10.4773 k = 0.4125 0.1516 0.6124 ( 29663 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9421 -7.9421 -7.5041 -7.5041 -7.3882 -7.3882 -7.3724 -7.3724 -7.2705 -7.2705 -7.1940 -7.1940 -3.6498 -3.6498 -3.6479 -3.6479 -2.2445 -2.2445 -2.2395 -2.2395 -2.2145 -2.2145 -2.2053 -2.2053 -0.0361 -0.0361 0.1912 0.1912 0.3767 0.3767 0.5217 0.5217 0.6102 0.6102 0.9011 0.9011 1.2482 1.2482 1.5156 1.5156 1.8599 1.8599 2.3312 2.3312 2.5444 2.5444 2.7760 2.7760 2.8196 2.8196 3.0781 3.0781 3.1558 3.1558 3.2352 3.2352 3.3667 3.3667 3.4378 3.4378 3.7573 3.7573 3.8238 3.8238 4.0670 4.0670 4.6699 4.6699 5.3153 5.3153 9.5280 9.5280 9.9302 9.9302 10.0942 10.0942 10.2795 10.2795 10.3524 10.3524 10.4765 10.4765 k = 0.4000 0.1732 0.6124 ( 29659 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9426 -7.9426 -7.5043 -7.5043 -7.3878 -7.3878 -7.3693 -7.3693 -7.2748 -7.2748 -7.1923 -7.1923 -3.6500 -3.6500 -3.6480 -3.6480 -2.2453 -2.2453 -2.2403 -2.2403 -2.2145 -2.2145 -2.2047 -2.2047 -0.0387 -0.0387 0.1974 0.1974 0.3714 0.3714 0.5214 0.5214 0.6122 0.6122 0.9015 0.9015 1.2413 1.2413 1.5198 1.5198 1.8610 1.8610 2.3318 2.3318 2.5446 2.5446 2.7797 2.7797 2.8167 2.8167 3.0758 3.0758 3.1571 3.1571 3.2385 3.2385 3.3657 3.3657 3.4370 3.4370 3.7578 3.7578 3.8258 3.8258 4.0742 4.0742 4.6609 4.6609 5.3245 5.3245 9.5167 9.5167 9.9043 9.9043 10.0849 10.0849 10.2836 10.2836 10.3500 10.3500 10.4726 10.4726 k = 0.3875 0.1949 0.6124 ( 29678 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9429 -7.9429 -7.5044 -7.5044 -7.3876 -7.3876 -7.3672 -7.3672 -7.2776 -7.2776 -7.1912 -7.1912 -3.6501 -3.6501 -3.6481 -3.6481 -2.2458 -2.2458 -2.2408 -2.2408 -2.2144 -2.2144 -2.2043 -2.2043 -0.0403 -0.0403 0.2014 0.2014 0.3679 0.3679 0.5212 0.5212 0.6133 0.6133 0.9017 0.9017 1.2370 1.2370 1.5224 1.5224 1.8617 1.8617 2.3321 2.3321 2.5447 2.5447 2.7825 2.7825 2.8144 2.8144 3.0747 3.0747 3.1579 3.1579 3.2403 3.2403 3.3649 3.3649 3.4369 3.4369 3.7563 3.7563 3.8289 3.8289 4.0787 4.0787 4.6551 4.6551 5.3304 5.3304 9.5094 9.5094 9.8885 9.8885 10.0795 10.0795 10.2862 10.2862 10.3485 10.3485 10.4687 10.4687 k = 0.3750 0.2165 0.6124 ( 29700 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9430 -7.9430 -7.5044 -7.5044 -7.3876 -7.3876 -7.3664 -7.3664 -7.2786 -7.2786 -7.1909 -7.1909 -3.6502 -3.6502 -3.6481 -3.6481 -2.2460 -2.2460 -2.2409 -2.2409 -2.2144 -2.2144 -2.2042 -2.2042 -0.0409 -0.0409 0.2028 0.2028 0.3667 0.3667 0.5211 0.5211 0.6137 0.6137 0.9018 0.9018 1.2356 1.2356 1.5233 1.5233 1.8620 1.8620 2.3322 2.3322 2.5448 2.5448 2.7835 2.7835 2.8135 2.8135 3.0743 3.0743 3.1581 3.1581 3.2409 3.2409 3.3647 3.3647 3.4369 3.4369 3.7555 3.7555 3.8303 3.8303 4.0802 4.0802 4.6530 4.6530 5.3324 5.3324 9.5069 9.5069 9.8831 9.8831 10.0777 10.0777 10.2872 10.2872 10.3480 10.3480 10.4671 10.4671 k = 0.3750 0.2165 0.6124 ( 29700 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9430 -7.9430 -7.5044 -7.5044 -7.3876 -7.3876 -7.3664 -7.3664 -7.2786 -7.2786 -7.1909 -7.1909 -3.6502 -3.6502 -3.6481 -3.6481 -2.2460 -2.2460 -2.2409 -2.2409 -2.2144 -2.2144 -2.2042 -2.2042 -0.0409 -0.0409 0.2028 0.2028 0.3667 0.3667 0.5211 0.5211 0.6137 0.6137 0.9018 0.9018 1.2356 1.2356 1.5233 1.5233 1.8620 1.8620 2.3322 2.3322 2.5448 2.5448 2.7835 2.7835 2.8135 2.8135 3.0743 3.0743 3.1581 3.1581 3.2409 3.2409 3.3647 3.3647 3.4369 3.4369 3.7555 3.7555 3.8303 3.8303 4.0802 4.0802 4.6530 4.6530 5.3324 5.3324 9.5069 9.5069 9.8831 9.8831 10.0777 10.0777 10.2872 10.2872 10.3480 10.3480 10.4671 10.4671 k = 0.3625 0.2093 0.5920 ( 29702 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8699 -14.8699 -7.9434 -7.9434 -7.5112 -7.5112 -7.3878 -7.3878 -7.3606 -7.3606 -7.2698 -7.2698 -7.1967 -7.1967 -3.6502 -3.6502 -3.6494 -3.6494 -2.2457 -2.2457 -2.2442 -2.2442 -2.2146 -2.2146 -2.2059 -2.2059 -0.0271 -0.0271 0.1931 0.1931 0.3506 0.3506 0.5313 0.5313 0.6093 0.6093 0.9003 0.9003 1.2363 1.2363 1.5122 1.5122 1.8749 1.8749 2.3342 2.3342 2.5570 2.5570 2.7742 2.7742 2.8043 2.8043 3.0618 3.0618 3.1595 3.1595 3.2521 3.2521 3.3791 3.3791 3.4521 3.4521 3.7695 3.7695 3.8377 3.8377 4.0539 4.0539 4.6960 4.6960 5.3112 5.3112 9.4698 9.4698 9.8853 9.8853 10.0498 10.0498 10.2994 10.2994 10.4231 10.4231 10.4878 10.4878 k = 0.3500 0.2021 0.5715 ( 29686 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8701 -14.8701 -7.9444 -7.9444 -7.5166 -7.5166 -7.3880 -7.3880 -7.3544 -7.3544 -7.2614 -7.2614 -7.2028 -7.2028 -3.6512 -3.6512 -3.6501 -3.6501 -2.2493 -2.2493 -2.2445 -2.2445 -2.2148 -2.2148 -2.2078 -2.2078 -0.0127 -0.0127 0.1838 0.1838 0.3330 0.3330 0.5407 0.5407 0.6055 0.6055 0.8992 0.8992 1.2344 1.2344 1.5009 1.5009 1.8881 1.8881 2.3378 2.3378 2.5697 2.5697 2.7663 2.7663 2.7973 2.7973 3.0489 3.0489 3.1606 3.1606 3.2610 3.2610 3.3945 3.3945 3.4707 3.4707 3.7848 3.7848 3.8476 3.8476 4.0287 4.0287 4.7394 4.7394 5.2914 5.2914 9.4287 9.4287 9.8860 9.8860 10.0177 10.0177 10.3133 10.3133 10.4765 10.4765 10.5050 10.5050 k = 0.3375 0.1949 0.5511 ( 29682 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8703 -14.8703 -7.9461 -7.9461 -7.5206 -7.5206 -7.3881 -7.3881 -7.3479 -7.3479 -7.2535 -7.2535 -7.2092 -7.2092 -3.6530 -3.6530 -3.6504 -3.6504 -2.2544 -2.2544 -2.2444 -2.2444 -2.2151 -2.2151 -2.2098 -2.2098 0.0022 0.0022 0.1752 0.1752 0.3140 0.3140 0.5486 0.5486 0.6028 0.6028 0.8984 0.8984 1.2302 1.2302 1.4895 1.4895 1.9008 1.9008 2.3430 2.3430 2.5827 2.5827 2.7596 2.7596 2.7934 2.7934 3.0363 3.0363 3.1625 3.1625 3.2669 3.2669 3.4115 3.4115 3.4918 3.4918 3.8017 3.8017 3.8574 3.8574 4.0073 4.0073 4.7830 4.7830 5.2735 5.2735 9.3840 9.3840 9.8844 9.8844 9.9791 9.9791 10.3283 10.3283 10.4066 10.4066 10.4764 10.4764 k = 0.3250 0.1876 0.5307 ( 29688 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8702 -14.8702 -7.9485 -7.9485 -7.5231 -7.5231 -7.3882 -7.3882 -7.3410 -7.3410 -7.2462 -7.2462 -7.2158 -7.2158 -3.6552 -3.6552 -3.6507 -3.6507 -2.2601 -2.2601 -2.2446 -2.2446 -2.2160 -2.2160 -2.2118 -2.2118 0.0175 0.0175 0.1673 0.1673 0.2937 0.2937 0.5546 0.5546 0.6016 0.6016 0.8980 0.8980 1.2240 1.2240 1.4781 1.4781 1.9120 1.9120 2.3501 2.3501 2.5959 2.5959 2.7537 2.7537 2.7930 2.7930 3.0246 3.0246 3.1660 3.1660 3.2704 3.2704 3.4297 3.4297 3.5145 3.5145 3.8201 3.8201 3.8638 3.8638 3.9933 3.9933 4.8265 4.8265 5.2578 5.2578 9.3360 9.3360 9.8801 9.8801 9.9317 9.9317 10.2882 10.2882 10.3506 10.3506 10.4474 10.4474 k = 0.3125 0.1804 0.5103 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8700 -14.8700 -7.9516 -7.9516 -7.5241 -7.5241 -7.3882 -7.3882 -7.3340 -7.3340 -7.2393 -7.2393 -7.2225 -7.2225 -3.6577 -3.6577 -3.6511 -3.6511 -2.2664 -2.2664 -2.2453 -2.2453 -2.2183 -2.2183 -2.2129 -2.2129 0.0330 0.0330 0.1602 0.1602 0.2721 0.2721 0.5582 0.5582 0.6023 0.6023 0.8978 0.8978 1.2162 1.2162 1.4667 1.4667 1.9208 1.9208 2.3593 2.3593 2.6092 2.6092 2.7486 2.7486 2.7962 2.7962 3.0144 3.0144 3.1715 3.1715 3.2721 3.2721 3.4485 3.4485 3.5384 3.5384 3.8372 3.8372 3.8666 3.8666 3.9905 3.9905 4.8695 4.8695 5.2446 5.2446 9.2852 9.2852 9.8715 9.8715 9.8751 9.8751 10.1766 10.1766 10.3684 10.3684 10.4092 10.4092 k = 0.3000 0.1732 0.4899 ( 29644 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8711 -14.8711 -14.8698 -14.8698 -7.9556 -7.9556 -7.5235 -7.5235 -7.3881 -7.3881 -7.3269 -7.3269 -7.2330 -7.2330 -7.2292 -7.2292 -3.6605 -3.6605 -3.6517 -3.6517 -2.2731 -2.2731 -2.2463 -2.2463 -2.2220 -2.2220 -2.2135 -2.2135 0.0487 0.0487 0.1538 0.1538 0.2495 0.2495 0.5598 0.5598 0.6047 0.6047 0.8978 0.8978 1.2074 1.2074 1.4554 1.4554 1.9265 1.9265 2.3705 2.3705 2.6224 2.6224 2.7445 2.7445 2.8027 2.8027 3.0062 3.0062 3.1794 3.1794 3.2729 3.2729 3.4673 3.4673 3.5630 3.5630 3.8426 3.8426 3.8770 3.8770 3.9985 3.9985 4.9119 4.9119 5.2342 5.2342 9.2318 9.2318 9.8070 9.8070 9.8608 9.8608 10.0651 10.0651 10.3686 10.3686 10.3900 10.3900 k = 0.2875 0.1660 0.4695 ( 29650 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8713 -14.8713 -14.8695 -14.8695 -7.9602 -7.9602 -7.5214 -7.5214 -7.3879 -7.3879 -7.3198 -7.3198 -7.2358 -7.2358 -7.2269 -7.2269 -3.6636 -3.6636 -3.6524 -3.6524 -2.2801 -2.2801 -2.2475 -2.2475 -2.2268 -2.2268 -2.2140 -2.2140 0.0641 0.0641 0.1480 0.1480 0.2262 0.2262 0.5600 0.5600 0.6079 0.6079 0.8978 0.8978 1.1981 1.1981 1.4440 1.4440 1.9284 1.9284 2.3839 2.3839 2.6351 2.6351 2.7420 2.7420 2.8119 2.8119 3.0003 3.0003 3.1896 3.1896 3.2737 3.2737 3.4855 3.4855 3.5874 3.5874 3.8369 3.8369 3.8986 3.8986 4.0142 4.0142 4.9533 4.9533 5.2269 5.2269 9.1758 9.1758 9.7322 9.7322 9.8438 9.8438 9.9561 9.9561 10.3308 10.3308 10.4052 10.4052 k = 0.2750 0.1588 0.4491 ( 29658 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8716 -14.8716 -14.8693 -14.8693 -7.9655 -7.9655 -7.5179 -7.5179 -7.3875 -7.3875 -7.3131 -7.3131 -7.2420 -7.2420 -7.2214 -7.2214 -3.6671 -3.6671 -3.6533 -3.6533 -2.2875 -2.2875 -2.2491 -2.2491 -2.2324 -2.2324 -2.2147 -2.2147 0.0791 0.0791 0.1421 0.1421 0.2034 0.2034 0.5597 0.5597 0.6113 0.6113 0.8977 0.8977 1.1887 1.1887 1.4327 1.4327 1.9261 1.9261 2.3992 2.3992 2.6469 2.6469 2.7418 2.7418 2.8228 2.8228 2.9970 2.9970 3.2016 3.2016 3.2761 3.2761 3.5025 3.5025 3.6111 3.6111 3.8319 3.8319 3.9239 3.9239 4.0344 4.0344 4.9933 4.9933 5.2230 5.2230 9.1173 9.1173 9.6525 9.6525 9.8167 9.8167 9.8545 9.8545 10.2901 10.2901 10.3744 10.3744 k = 0.2625 0.1516 0.4287 ( 29640 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8719 -14.8719 -14.8691 -14.8691 -7.9715 -7.9715 -7.5131 -7.5131 -7.3870 -7.3870 -7.3070 -7.3070 -7.2474 -7.2474 -7.2163 -7.2163 -3.6708 -3.6708 -3.6543 -3.6543 -2.2951 -2.2951 -2.2511 -2.2511 -2.2387 -2.2387 -2.2158 -2.2158 0.0926 0.0926 0.1345 0.1345 0.1835 0.1835 0.5595 0.5595 0.6145 0.6145 0.8974 0.8974 1.1797 1.1797 1.4214 1.4214 1.9195 1.9195 2.4163 2.4163 2.6570 2.6570 2.7451 2.7451 2.8347 2.8347 2.9963 2.9963 3.2130 3.2130 3.2827 3.2827 3.5175 3.5175 3.6336 3.6336 3.8330 3.8330 3.9506 3.9506 4.0570 4.0570 5.0315 5.0315 5.2229 5.2229 9.0563 9.0563 9.5706 9.5706 9.7365 9.7365 9.8037 9.8037 10.2441 10.2441 10.3078 10.3078 k = 0.2500 0.1443 0.4082 ( 29650 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8722 -14.8722 -14.8688 -14.8688 -7.9780 -7.9780 -7.5071 -7.5071 -7.3864 -7.3864 -7.3023 -7.3023 -7.2513 -7.2513 -7.2116 -7.2116 -3.6748 -3.6748 -3.6555 -3.6555 -2.3028 -2.3028 -2.2537 -2.2537 -2.2454 -2.2454 -2.2173 -2.2173 0.0994 0.0994 0.1263 0.1263 0.1707 0.1707 0.5598 0.5598 0.6172 0.6172 0.8968 0.8968 1.1714 1.1714 1.4100 1.4100 1.9086 1.9086 2.4349 2.4349 2.6645 2.6645 2.7528 2.7528 2.8470 2.8470 2.9980 2.9980 3.2208 3.2208 3.2967 3.2967 3.5295 3.5295 3.6556 3.6556 3.8422 3.8422 3.9779 3.9779 4.0810 4.0810 5.0674 5.0674 5.2270 5.2270 8.9929 8.9929 9.4890 9.4890 9.6362 9.6362 9.7710 9.7710 10.1883 10.1883 10.2331 10.2331 k = 0.2375 0.1371 0.3878 ( 29660 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8725 -14.8725 -14.8686 -14.8686 -7.9848 -7.9848 -7.5001 -7.5001 -7.3857 -7.3857 -7.2998 -7.2998 -7.2530 -7.2530 -7.2072 -7.2072 -3.6791 -3.6791 -3.6569 -3.6569 -2.3107 -2.3107 -2.2583 -2.2583 -2.2510 -2.2510 -2.2193 -2.2193 0.0858 0.0858 0.1301 0.1301 0.1661 0.1661 0.5607 0.5607 0.6194 0.6194 0.8959 0.8959 1.1642 1.1642 1.3985 1.3985 1.8936 1.8936 2.4546 2.4546 2.6695 2.6695 2.7653 2.7653 2.8593 2.8593 3.0018 3.0018 3.2235 3.2235 3.3193 3.3193 3.5379 3.5379 3.6785 3.6785 3.8597 3.8597 4.0055 4.0055 4.1057 4.1057 5.1003 5.1003 5.2360 5.2360 8.9270 8.9270 9.4092 9.4092 9.5376 9.5376 9.7353 9.7353 10.1137 10.1137 10.1666 10.1666 k = 0.2250 0.1299 0.3674 ( 29656 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8728 -14.8728 -14.8684 -14.8684 -7.9920 -7.9920 -7.4923 -7.4923 -7.3848 -7.3848 -7.3000 -7.3000 -7.2519 -7.2519 -7.2031 -7.2031 -3.6837 -3.6837 -3.6584 -3.6584 -2.3187 -2.3187 -2.2659 -2.2659 -2.2544 -2.2544 -2.2217 -2.2217 0.0603 0.0603 0.1396 0.1396 0.1678 0.1678 0.5623 0.5623 0.6211 0.6211 0.8946 0.8946 1.1582 1.1582 1.3870 1.3870 1.8748 1.8748 2.4750 2.4750 2.6725 2.6725 2.7819 2.7819 2.8716 2.8716 3.0072 3.0072 3.2224 3.2224 3.3483 3.3483 3.5430 3.5430 3.7038 3.7038 3.8843 3.8843 4.0330 4.0330 4.1306 4.1306 5.1298 5.1298 5.2501 5.2501 8.8590 8.8590 9.3324 9.3324 9.4421 9.4421 9.6961 9.6961 10.0247 10.0247 10.1082 10.1082 k = 0.2125 0.1227 0.3470 ( 29645 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8731 -14.8731 -14.8681 -14.8681 -7.9994 -7.9994 -7.4837 -7.4837 -7.3839 -7.3839 -7.3027 -7.3027 -7.2482 -7.2482 -7.1993 -7.1993 -3.6884 -3.6884 -3.6600 -3.6600 -2.3266 -2.3266 -2.2752 -2.2752 -2.2570 -2.2570 -2.2245 -2.2245 0.0312 0.0312 0.1482 0.1482 0.1740 0.1740 0.5647 0.5647 0.6224 0.6224 0.8929 0.8929 1.1534 1.1534 1.3754 1.3754 1.8528 1.8528 2.4958 2.4958 2.6745 2.6745 2.8016 2.8016 2.8843 2.8843 3.0141 3.0141 3.2192 3.2192 3.3811 3.3811 3.5461 3.5461 3.7327 3.7327 3.9144 3.9144 4.0601 4.0601 4.1554 4.1554 5.1559 5.1559 5.2691 5.2691 8.7891 8.7891 9.2592 9.2592 9.3503 9.3503 9.6538 9.6538 9.9305 9.9305 10.0514 10.0514 k = 0.2000 0.1155 0.3266 ( 29635 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8734 -14.8734 -14.8679 -14.8679 -8.0069 -8.0069 -7.4746 -7.4746 -7.3828 -7.3828 -7.3071 -7.3071 -7.2428 -7.2428 -7.1959 -7.1959 -3.6933 -3.6933 -3.6618 -3.6618 -2.3345 -2.3345 -2.2853 -2.2853 -2.2593 -2.2593 -2.2279 -2.2279 0.0006 0.0006 0.1555 0.1555 0.1833 0.1833 0.5677 0.5677 0.6233 0.6233 0.8911 0.8911 1.1500 1.1500 1.3637 1.3637 1.8281 1.8281 2.5165 2.5165 2.6762 2.6762 2.8233 2.8233 2.8976 2.8976 3.0219 3.0219 3.2146 3.2146 3.4149 3.4149 3.5492 3.5492 3.7653 3.7653 3.9483 3.9483 4.0867 4.0867 4.1797 4.1797 5.1798 5.1798 5.2920 5.2920 8.7180 8.7180 9.1899 9.1899 9.2624 9.2624 9.6094 9.6094 9.8341 9.8341 9.9949 9.9949 k = 0.1875 0.1083 0.3062 ( 29649 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8736 -14.8736 -14.8677 -14.8677 -8.0143 -8.0143 -7.4651 -7.4651 -7.3816 -7.3816 -7.3124 -7.3124 -7.2365 -7.2365 -7.1926 -7.1926 -3.6983 -3.6983 -3.6636 -3.6636 -2.3423 -2.3423 -2.2959 -2.2959 -2.2615 -2.2615 -2.2316 -2.2316 -0.0307 -0.0307 0.1625 0.1625 0.1939 0.1939 0.5715 0.5715 0.6240 0.6240 0.8890 0.8890 1.1479 1.1479 1.3517 1.3517 1.8014 1.8014 2.5369 2.5369 2.6779 2.6779 2.8455 2.8455 2.9123 2.9123 3.0304 3.0304 3.2092 3.2092 3.4469 3.4469 3.5548 3.5548 3.8015 3.8015 3.9851 3.9851 4.1125 4.1125 4.2035 4.2035 5.2027 5.2027 5.3173 5.3173 8.6465 8.6465 9.1241 9.1241 9.1786 9.1786 9.5634 9.5634 9.7370 9.7370 9.9388 9.9388 k = 0.1750 0.1010 0.2858 ( 29697 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8739 -14.8739 -14.8675 -14.8675 -8.0217 -8.0217 -7.4554 -7.4554 -7.3804 -7.3804 -7.3180 -7.3180 -7.2297 -7.2297 -7.1897 -7.1897 -3.7033 -3.7033 -3.6656 -3.6656 -2.3499 -2.3499 -2.3068 -2.3068 -2.2636 -2.2636 -2.2356 -2.2356 -0.0620 -0.0620 0.1698 0.1698 0.2046 0.2046 0.5758 0.5758 0.6244 0.6244 0.8869 0.8869 1.1470 1.1470 1.3394 1.3394 1.7734 1.7734 2.5567 2.5567 2.6800 2.6800 2.8670 2.8670 2.9291 2.9291 3.0396 3.0396 3.2034 3.2034 3.4731 3.4731 3.5663 3.5663 3.8408 3.8408 4.0238 4.0238 4.1375 4.1375 4.2265 4.2265 5.2258 5.2258 5.3435 5.3435 8.5754 8.5754 9.0616 9.0616 9.0992 9.0992 9.5166 9.5166 9.6401 9.6401 9.8836 9.8836 k = 0.1625 0.0938 0.2654 ( 29701 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8742 -14.8742 -14.8673 -14.8673 -8.0289 -8.0289 -7.4456 -7.4456 -7.3791 -7.3791 -7.3237 -7.3237 -7.2229 -7.2229 -7.1870 -7.1870 -3.7084 -3.7084 -3.6676 -3.6676 -2.3572 -2.3572 -2.3180 -2.3180 -2.2657 -2.2657 -2.2399 -2.2399 -0.0929 -0.0929 0.1778 0.1778 0.2149 0.2149 0.5805 0.5805 0.6248 0.6248 0.8848 0.8848 1.1473 1.1473 1.3267 1.3267 1.7450 1.7450 2.5757 2.5757 2.6824 2.6824 2.8867 2.8867 2.9482 2.9482 3.0491 3.0491 3.1973 3.1973 3.4909 3.4909 3.5861 3.5861 3.8829 3.8829 4.0637 4.0637 4.1614 4.1614 4.2484 4.2484 5.2500 5.2500 5.3696 5.3696 8.5056 8.5056 9.0017 9.0017 9.0246 9.0246 9.4697 9.4697 9.5441 9.5441 9.8299 9.8299 k = 0.1500 0.0866 0.2449 ( 29701 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8744 -14.8744 -14.8671 -14.8671 -8.0358 -8.0358 -7.4360 -7.4360 -7.3778 -7.3778 -7.3294 -7.3294 -7.2161 -7.2161 -7.1845 -7.1845 -3.7134 -3.7134 -3.6696 -3.6696 -2.3643 -2.3643 -2.3291 -2.3291 -2.2678 -2.2678 -2.2444 -2.2444 -0.1230 -0.1230 0.1865 0.1865 0.2246 0.2246 0.5855 0.5855 0.6250 0.6250 0.8827 0.8827 1.1484 1.1484 1.3135 1.3135 1.7169 1.7169 2.5939 2.5939 2.6852 2.6852 2.9039 2.9039 2.9697 2.9697 3.0589 3.0589 3.1911 3.1911 3.5014 3.5014 3.6124 3.6124 3.9270 3.9270 4.1040 4.1040 4.1840 4.1840 4.2693 4.2693 5.2758 5.2758 5.3948 5.3948 8.4377 8.4377 8.9436 8.9436 8.9556 8.9556 9.4232 9.4232 9.4500 9.4500 9.7782 9.7782 k = 0.1375 0.0794 0.2245 ( 29729 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8747 -14.8747 -14.8670 -14.8670 -8.0424 -8.0424 -7.4265 -7.4265 -7.3764 -7.3764 -7.3348 -7.3348 -7.2095 -7.2095 -7.1822 -7.1822 -3.7184 -3.7184 -3.6716 -3.6716 -2.3711 -2.3711 -2.3401 -2.3401 -2.2697 -2.2697 -2.2489 -2.2489 -0.1520 -0.1520 0.1958 0.1958 0.2335 0.2335 0.5907 0.5907 0.6252 0.6252 0.8808 0.8808 1.1503 1.1503 1.2998 1.2998 1.6898 1.6898 2.6112 2.6112 2.6882 2.6882 2.9191 2.9191 2.9924 2.9924 3.0689 3.0689 3.1849 3.1849 3.5080 3.5080 3.6415 3.6415 3.9726 3.9726 4.1441 4.1441 4.2054 4.2054 4.2889 4.2889 5.3031 5.3031 5.4187 5.4187 8.3726 8.3726 8.8847 8.8847 8.8945 8.8945 9.3584 9.3584 9.3775 9.3775 9.7289 9.7289 k = 0.1250 0.0722 0.2041 ( 29743 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9604 -44.9604 -14.8749 -14.8749 -14.8668 -14.8668 -8.0485 -8.0485 -7.4175 -7.4175 -7.3751 -7.3751 -7.3399 -7.3399 -7.2032 -7.2032 -7.1801 -7.1801 -3.7231 -3.7231 -3.6736 -3.6736 -2.3774 -2.3774 -2.3507 -2.3507 -2.2715 -2.2715 -2.2535 -2.2535 -0.1796 -0.1796 0.2057 0.2057 0.2415 0.2415 0.5959 0.5959 0.6254 0.6254 0.8790 0.8790 1.1528 1.1528 1.2854 1.2854 1.6644 1.6644 2.6274 2.6274 2.6914 2.6914 2.9327 2.9327 3.0153 3.0153 3.0788 3.0788 3.1786 3.1786 3.5131 3.5131 3.6708 3.6708 4.0189 4.0189 4.1831 4.1831 4.2253 4.2253 4.3072 4.3072 5.3319 5.3319 5.4410 5.4410 8.3109 8.3109 8.8261 8.8261 8.8404 8.8404 9.2704 9.2704 9.3332 9.3332 9.6824 9.6824 k = 0.1125 0.0650 0.1837 ( 29721 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8751 -14.8751 -14.8666 -14.8666 -8.0543 -8.0543 -7.4089 -7.4089 -7.3738 -7.3738 -7.3446 -7.3446 -7.1974 -7.1974 -7.1783 -7.1783 -3.7276 -3.7276 -3.6755 -3.6755 -2.3833 -2.3833 -2.3609 -2.3609 -2.2733 -2.2733 -2.2580 -2.2580 -0.2055 -0.2055 0.2158 0.2158 0.2487 0.2487 0.6010 0.6010 0.6256 0.6256 0.8775 0.8775 1.1556 1.1556 1.2705 1.2705 1.6413 1.6413 2.6424 2.6424 2.6946 2.6946 2.9452 2.9452 3.0374 3.0374 3.0885 3.0885 3.1725 3.1725 3.5177 3.5177 3.6987 3.6987 4.0651 4.0651 4.2205 4.2205 4.2437 4.2437 4.3240 4.3240 5.3617 5.3617 5.4613 5.4613 8.2532 8.2532 8.7715 8.7715 8.7897 8.7897 9.1867 9.1867 9.2907 9.2907 9.6383 9.6388 k = 0.1000 0.0577 0.1633 ( 29725 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8753 -14.8753 -14.8665 -14.8665 -8.0596 -8.0596 -7.4010 -7.4010 -7.3726 -7.3726 -7.3490 -7.3490 -7.1920 -7.1920 -7.1766 -7.1766 -3.7319 -3.7319 -3.6773 -3.6773 -2.3887 -2.3887 -2.3705 -2.3705 -2.2748 -2.2748 -2.2623 -2.2623 -0.2293 -0.2293 0.2260 0.2260 0.2550 0.2550 0.6059 0.6059 0.6257 0.6257 0.8762 0.8762 1.1585 1.1585 1.2552 1.2552 1.6209 1.6209 2.6562 2.6562 2.6977 2.6977 2.9567 2.9567 3.0580 3.0580 3.0977 3.0977 3.1666 3.1666 3.5223 3.5223 3.7245 3.7245 4.1103 4.1103 4.2551 4.2551 4.2610 4.2610 4.3393 4.3393 5.3921 5.3921 5.4797 5.4797 8.2000 8.2000 8.7220 8.7220 8.7420 8.7420 9.1083 9.1083 9.2504 9.2504 9.5961 9.5962 k = 0.0875 0.0505 0.1429 ( 29725 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8755 -14.8755 -14.8664 -14.8664 -8.0643 -8.0643 -7.3938 -7.3938 -7.3714 -7.3714 -7.3528 -7.3528 -7.1871 -7.1871 -7.1751 -7.1751 -3.7358 -3.7358 -3.6790 -3.6790 -2.3936 -2.3936 -2.3792 -2.3792 -2.2763 -2.2763 -2.2664 -2.2664 -0.2510 -0.2510 0.2360 0.2360 0.2604 0.2604 0.6104 0.6104 0.6259 0.6259 0.8751 0.8751 1.1615 1.1615 1.2398 1.2398 1.6033 1.6033 2.6686 2.6686 2.7007 2.7007 2.9673 2.9673 3.0766 3.0766 3.1064 3.1064 3.1610 3.1610 3.5269 3.5269 3.7478 3.7478 4.1537 4.1537 4.2747 4.2747 4.2884 4.2884 4.3531 4.3531 5.4221 5.4221 5.4959 5.4959 8.1518 8.1518 8.6780 8.6780 8.6974 8.6974 9.0362 9.0362 9.2128 9.2128 9.5585 9.5586 k = 0.0750 0.0433 0.1225 ( 29735 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9604 -44.9604 -14.8757 -14.8757 -14.8663 -14.8663 -8.0685 -8.0685 -7.3876 -7.3876 -7.3702 -7.3702 -7.3561 -7.3561 -7.1827 -7.1827 -7.1738 -7.1738 -3.7393 -3.7393 -3.6805 -3.6805 -2.3979 -2.3979 -2.3871 -2.3871 -2.2776 -2.2776 -2.2701 -2.2701 -0.2701 -0.2701 0.2456 0.2456 0.2651 0.2651 0.6145 0.6145 0.6260 0.6260 0.8742 0.8742 1.1643 1.1643 1.2248 1.2248 1.5887 1.5887 2.6797 2.6797 2.7034 2.7034 2.9771 2.9771 3.0930 3.0930 3.1142 3.1142 3.1557 3.1557 3.5316 3.5316 3.7684 3.7684 4.1942 4.1942 4.2879 4.2879 4.3170 4.3170 4.3651 4.3651 5.4510 5.4510 5.5098 5.5098 8.1090 8.1090 8.6395 8.6395 8.6566 8.6566 8.9714 8.9714 9.1785 9.1785 9.5256 9.5256 k = 0.0625 0.0361 0.1021 ( 29725 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8758 -14.8758 -14.8662 -14.8662 -8.0720 -8.0720 -7.3824 -7.3824 -7.3691 -7.3691 -7.3588 -7.3588 -7.1790 -7.1790 -7.1728 -7.1728 -3.7423 -3.7423 -3.6819 -3.6819 -2.4017 -2.4017 -2.3940 -2.3940 -2.2787 -2.2787 -2.2733 -2.2733 -0.2867 -0.2867 0.2545 0.2545 0.2690 0.2690 0.6181 0.6181 0.6262 0.6262 0.8736 0.8736 1.1668 1.1668 1.2107 1.2107 1.5769 1.5769 2.6892 2.6892 2.7058 2.7058 2.9858 2.9858 3.1069 3.1069 3.1212 3.1212 3.1508 3.1508 3.5362 3.5362 3.7859 3.7859 4.2310 4.2310 4.2991 4.2991 4.3418 4.3418 4.3755 4.3755 5.4778 5.4778 5.5216 5.5216 8.0720 8.0720 8.6067 8.6067 8.6204 8.6204 8.9147 8.9147 9.1480 9.1480 9.4975 9.4975 k = 0.0500 0.0289 0.0816 ( 29733 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8759 -14.8759 -14.8661 -14.8661 -8.0750 -8.0750 -7.3785 -7.3785 -7.3678 -7.3678 -7.3609 -7.3609 -7.1759 -7.1759 -7.1719 -7.1719 -3.7449 -3.7449 -3.6830 -3.6830 -2.4047 -2.4047 -2.3998 -2.3998 -2.2796 -2.2796 -2.2761 -2.2761 -0.3004 -0.3004 0.2623 0.2623 0.2721 0.2721 0.6211 0.6211 0.6263 0.6263 0.8731 0.8731 1.1689 1.1689 1.1981 1.1981 1.5677 1.5677 2.6971 2.6971 2.7078 2.7078 2.9934 2.9934 3.1183 3.1183 3.1270 3.1270 3.1464 3.1464 3.5403 3.5403 3.8004 3.8004 4.2629 4.2629 4.3083 4.3083 4.3624 4.3624 4.3840 4.3840 5.5014 5.5014 5.5312 5.5312 8.0412 8.0412 8.5797 8.5797 8.5895 8.5895 8.8669 8.8669 9.1219 9.1219 9.4744 9.4744 k = 0.0375 0.0217 0.0612 ( 29715 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8760 -14.8760 -14.8661 -14.8661 -8.0773 -8.0773 -7.3760 -7.3760 -7.3665 -7.3665 -7.3623 -7.3623 -7.1735 -7.1735 -7.1712 -7.1712 -3.7469 -3.7469 -3.6839 -3.6839 -2.4072 -2.4072 -2.4043 -2.4043 -2.2803 -2.2803 -2.2783 -2.2783 -0.3113 -0.3113 0.2687 0.2687 0.2745 0.2745 0.6235 0.6235 0.6265 0.6265 0.8727 0.8727 1.1706 1.1706 1.1875 1.1875 1.5609 1.5609 2.7033 2.7033 2.7094 2.7094 2.9996 2.9996 3.1272 3.1272 3.1317 3.1317 3.1428 3.1428 3.5439 3.5439 3.8118 3.8118 4.2890 4.2890 4.3154 4.3154 4.3785 4.3785 4.3906 4.3906 5.5210 5.5210 5.5385 5.5385 8.0168 8.0168 8.5587 8.5587 8.5647 8.5647 8.8289 8.8289 9.1009 9.1009 9.4563 9.4564 k = 0.0250 0.0144 0.0408 ( 29691 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0790 -8.0790 -7.3748 -7.3748 -7.3651 -7.3651 -7.3632 -7.3632 -7.1717 -7.1717 -7.1707 -7.1707 -3.7484 -3.7484 -3.6846 -3.6846 -2.4089 -2.4089 -2.4076 -2.4076 -2.2808 -2.2808 -2.2799 -2.2799 -0.3191 -0.3191 0.2735 0.2735 0.2761 0.2761 0.6252 0.6252 0.6266 0.6266 0.8724 0.8724 1.1718 1.1718 1.1795 1.1795 1.5563 1.5563 2.7078 2.7078 2.7105 2.7105 3.0043 3.0043 3.1334 3.1334 3.1352 3.1352 3.1401 3.1401 3.5466 3.5466 3.8199 3.8199 4.3085 4.3085 4.3206 4.3206 4.3899 4.3899 4.3953 4.3953 5.5357 5.5357 5.5437 5.5437 7.9992 7.9992 8.5436 8.5436 8.5464 8.5464 8.8013 8.8013 9.0855 9.0855 9.4435 9.4439 k = 0.0125 0.0072 0.0204 ( 29639 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0800 -8.0800 -7.3742 -7.3742 -7.3641 -7.3641 -7.3636 -7.3636 -7.1707 -7.1707 -7.1704 -7.1704 -3.7493 -3.7493 -3.6850 -3.6850 -2.4100 -2.4100 -2.4096 -2.4096 -2.2811 -2.2811 -2.2809 -2.2809 -0.3238 -0.3238 0.2765 0.2765 0.2772 0.2772 0.6263 0.6263 0.6266 0.6266 0.8723 0.8723 1.1726 1.1726 1.1745 1.1745 1.5536 1.5536 2.7105 2.7105 2.7112 2.7112 3.0072 3.0072 3.1369 3.1369 3.1375 3.1375 3.1383 3.1383 3.5483 3.5483 3.8248 3.8248 4.3206 4.3206 4.3236 4.3236 4.3968 4.3968 4.3981 4.3981 5.5448 5.5448 5.5468 5.5468 7.9885 7.9885 8.5345 8.5345 8.5353 8.5353 8.7846 8.7846 9.0760 9.0760 9.4359 9.4363 k = 0.0000 0.0000 0.0000 ( 29627 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0803 -8.0803 -7.3741 -7.3741 -7.3637 -7.3637 -7.3637 -7.3637 -7.1703 -7.1703 -7.1703 -7.1703 -3.7496 -3.7496 -3.6851 -3.6851 -2.4103 -2.4103 -2.4103 -2.4103 -2.2812 -2.2812 -2.2812 -2.2812 -0.3253 -0.3253 0.2775 0.2775 0.2775 0.2775 0.6266 0.6266 0.6266 0.6266 0.8723 0.8723 1.1728 1.1728 1.1728 1.1728 1.5527 1.5527 2.7114 2.7114 2.7114 2.7114 3.0081 3.0081 3.1377 3.1377 3.1377 3.1377 3.1386 3.1386 3.5489 3.5489 3.8264 3.8264 4.3247 4.3247 4.3247 4.3247 4.3991 4.3991 4.3991 4.3991 5.5479 5.5479 5.5479 5.5479 7.9849 7.9849 8.5315 8.5315 8.5315 8.5315 8.7790 8.7790 9.0728 9.0728 9.4333 9.4333 k = 0.0000 0.0000 0.0000 ( 29627 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0803 -8.0803 -7.3741 -7.3741 -7.3637 -7.3637 -7.3637 -7.3637 -7.1703 -7.1703 -7.1703 -7.1703 -3.7496 -3.7496 -3.6851 -3.6851 -2.4103 -2.4103 -2.4103 -2.4103 -2.2812 -2.2812 -2.2812 -2.2812 -0.3253 -0.3253 0.2775 0.2775 0.2775 0.2775 0.6266 0.6266 0.6266 0.6266 0.8723 0.8723 1.1728 1.1728 1.1728 1.1728 1.5527 1.5527 2.7114 2.7114 2.7114 2.7114 3.0081 3.0081 3.1377 3.1377 3.1377 3.1377 3.1386 3.1386 3.5489 3.5489 3.8264 3.8264 4.3247 4.3247 4.3247 4.3247 4.3991 4.3991 4.3991 4.3991 5.5479 5.5479 5.5479 5.5479 7.9849 7.9849 8.5315 8.5315 8.5315 8.5315 8.7790 8.7790 9.0728 9.0728 9.4333 9.4333 k = 0.0200 0.0115 0.0082 ( 29636 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0800 -8.0800 -7.3742 -7.3742 -7.3641 -7.3641 -7.3636 -7.3636 -7.1705 -7.1705 -7.1705 -7.1705 -3.7493 -3.7493 -3.6850 -3.6850 -2.4100 -2.4100 -2.4096 -2.4096 -2.2811 -2.2811 -2.2809 -2.2809 -0.3238 -0.3238 0.2768 0.2768 0.2769 0.2769 0.6263 0.6263 0.6266 0.6266 0.8723 0.8723 1.1725 1.1725 1.1745 1.1745 1.5535 1.5535 2.7105 2.7105 2.7112 2.7112 3.0072 3.0072 3.1369 3.1369 3.1374 3.1374 3.1384 3.1384 3.5483 3.5483 3.8248 3.8248 4.3207 4.3207 4.3237 4.3237 4.3970 4.3970 4.3981 4.3981 5.5454 5.5454 5.5465 5.5465 7.9883 7.9883 8.5347 8.5347 8.5348 8.5348 8.7844 8.7844 9.0759 9.0759 9.4361 9.4361 k = 0.0400 0.0231 0.0163 ( 29696 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8761 -14.8761 -14.8660 -14.8660 -8.0790 -8.0790 -7.3748 -7.3748 -7.3650 -7.3650 -7.3631 -7.3631 -7.1712 -7.1712 -7.1712 -7.1712 -3.7484 -3.7484 -3.6846 -3.6846 -2.4090 -2.4090 -2.4077 -2.4077 -2.2809 -2.2809 -2.2799 -2.2799 -0.3193 -0.3193 0.2746 0.2746 0.2752 0.2752 0.6253 0.6253 0.6265 0.6265 0.8724 0.8724 1.1715 1.1715 1.1796 1.1796 1.5561 1.5561 2.7078 2.7078 2.7107 2.7107 3.0044 3.0044 3.1340 3.1340 3.1345 3.1345 3.1404 3.1404 3.5467 3.5467 3.8202 3.8202 4.3091 4.3091 4.3207 4.3207 4.3909 4.3909 4.3949 4.3949 5.5379 5.5379 5.5422 5.5422 7.9986 7.9986 8.5442 8.5442 8.5447 8.5447 8.8004 8.8004 9.0850 9.0850 9.4441 9.4444 k = 0.0600 0.0346 0.0245 ( 29720 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8760 -14.8760 -14.8661 -14.8661 -8.0774 -8.0774 -7.3763 -7.3763 -7.3660 -7.3660 -7.3623 -7.3623 -7.1723 -7.1723 -7.1722 -7.1722 -3.7470 -3.7470 -3.6840 -3.6840 -2.4075 -2.4075 -2.4044 -2.4044 -2.2804 -2.2804 -2.2783 -2.2783 -0.3118 -0.3118 0.2711 0.2711 0.2725 0.2725 0.6237 0.6237 0.6264 0.6264 0.8727 0.8727 1.1695 1.1695 1.1880 1.1880 1.5607 1.5607 2.7034 2.7034 2.7097 2.7097 2.9999 2.9999 3.1281 3.1281 3.1305 3.1305 3.1436 3.1436 3.5441 3.5441 3.8124 3.8124 4.2904 4.2904 4.3155 4.3155 4.3809 4.3809 4.3895 4.3895 5.5257 5.5257 5.5354 5.5354 8.0154 8.0154 8.5599 8.5599 8.5609 8.5609 8.8269 8.8269 9.0997 9.0997 9.4575 9.4575 k = 0.0800 0.0462 0.0327 ( 29735 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8759 -14.8759 -14.8661 -14.8661 -8.0752 -8.0752 -7.3795 -7.3795 -7.3662 -7.3662 -7.3613 -7.3613 -7.1738 -7.1738 -7.1737 -7.1737 -3.7451 -3.7451 -3.6831 -3.6831 -2.4053 -2.4053 -2.3998 -2.3998 -2.2799 -2.2799 -2.2761 -2.2761 -0.3014 -0.3014 0.2664 0.2664 0.2687 0.2687 0.6215 0.6215 0.6262 0.6262 0.8730 0.8730 1.1665 1.1665 1.1994 1.1994 1.5674 1.5674 2.6971 2.6971 2.7085 2.7085 2.9938 2.9938 3.1199 3.1199 3.1251 3.1251 3.1477 3.1477 3.5407 3.5407 3.8015 3.8015 4.2653 4.2653 4.3078 4.3078 4.3677 4.3677 4.3817 4.3817 5.5092 5.5092 5.5263 5.5263 8.0387 8.0387 8.5814 8.5814 8.5832 8.5832 8.8632 8.8632 9.1196 9.1196 9.4744 9.4744 k = 0.1000 0.0577 0.0408 ( 29732 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8758 -14.8758 -14.8662 -14.8662 -8.0724 -8.0724 -7.3844 -7.3844 -7.3656 -7.3656 -7.3599 -7.3599 -7.1758 -7.1758 -7.1756 -7.1756 -3.7426 -3.7426 -3.6820 -3.6820 -2.4026 -2.4026 -2.3941 -2.3941 -2.2791 -2.2791 -2.2733 -2.2733 -0.2882 -0.2882 0.2606 0.2606 0.2640 0.2640 0.6187 0.6187 0.6261 0.6261 0.8735 0.8735 1.1620 1.1620 1.2137 1.2137 1.5765 1.5765 2.6892 2.6892 2.7069 2.7069 2.9864 2.9864 3.1093 3.1093 3.1183 3.1183 3.1527 3.1527 3.5368 3.5368 3.7877 3.7877 4.2347 4.2347 4.2969 4.2969 4.3520 4.3520 4.3714 4.3714 5.4889 5.4889 5.5152 5.5152 8.0681 8.0681 8.6085 8.6085 8.6112 8.6112 8.9087 8.9087 9.1439 9.1439 9.4946 9.4946 k = 0.1200 0.0693 0.0490 ( 29735 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8757 -14.8757 -14.8663 -14.8663 -8.0689 -8.0689 -7.3907 -7.3907 -7.3644 -7.3644 -7.3583 -7.3583 -7.1781 -7.1781 -7.1778 -7.1778 -3.7397 -3.7397 -3.6807 -3.6807 -2.3993 -2.3993 -2.3872 -2.3872 -2.2783 -2.2783 -2.2700 -2.2700 -0.2723 -0.2723 0.2538 0.2538 0.2586 0.2586 0.6153 0.6153 0.6259 0.6259 0.8742 0.8742 1.1558 1.1558 1.2307 1.2307 1.5883 1.5883 2.6796 2.6796 2.7051 2.7051 2.9777 2.9777 3.0962 3.0962 3.1102 3.1102 3.1583 3.1583 3.5326 3.5326 3.7711 3.7711 4.1993 4.1993 4.2814 4.2814 4.3357 4.3357 4.3587 4.3587 5.4653 5.4653 5.5026 5.5026 8.1031 8.1031 8.6405 8.6405 8.6445 8.6445 8.9625 8.9625 9.1718 9.1718 9.5194 9.5194 k = 0.1400 0.0808 0.0572 ( 29741 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9604 -44.9604 -14.8755 -14.8755 -14.8664 -14.8664 -8.0649 -8.0649 -7.3983 -7.3983 -7.3627 -7.3627 -7.3563 -7.3563 -7.1809 -7.1809 -7.1805 -7.1805 -3.7363 -3.7363 -3.6793 -3.6793 -2.3954 -2.3954 -2.3794 -2.3794 -2.2774 -2.2774 -2.2662 -2.2662 -0.2539 -0.2539 0.2463 0.2463 0.2525 0.2525 0.6115 0.6115 0.6257 0.6257 0.8750 0.8750 1.1478 1.1478 1.2499 1.2499 1.6029 1.6029 2.6685 2.6685 2.7032 2.7032 2.9679 2.9679 3.0807 3.0807 3.1012 3.1012 3.1645 3.1645 3.5284 3.5284 3.7517 3.7517 4.1602 4.1602 4.2600 4.2600 4.3201 4.3201 4.3437 4.3437 5.4392 5.4392 5.4890 5.4890 8.1433 8.1433 8.6770 8.6770 8.6823 8.6823 9.0238 9.0238 9.2020 9.2020 9.5498 9.5498 k = 0.1600 0.0924 0.0653 ( 29726 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8753 -14.8753 -14.8665 -14.8665 -8.0604 -8.0604 -7.4069 -7.4069 -7.3606 -7.3606 -7.3541 -7.3541 -7.1840 -7.1840 -7.1835 -7.1835 -3.7326 -3.7326 -3.6777 -3.6777 -2.3911 -2.3911 -2.3705 -2.3705 -2.2764 -2.2764 -2.2620 -2.2620 -0.2331 -0.2331 0.2381 0.2381 0.2459 0.2459 0.6073 0.6073 0.6256 0.6256 0.8760 0.8760 1.1378 1.1378 1.2711 1.2711 1.6204 1.6204 2.6558 2.6558 2.7013 2.7013 2.9572 2.9572 3.0627 3.0627 3.0912 3.0912 3.1709 3.1709 3.5246 3.5246 3.7297 3.7297 4.1183 4.1183 4.2327 4.2327 4.3062 4.3062 4.3266 4.3266 5.4112 5.4112 5.4746 5.4746 8.1883 8.1883 8.7175 8.7175 8.7242 8.7242 9.0912 9.0912 9.2336 9.2336 9.5863 9.5863 k = 0.1800 0.1039 0.0735 ( 29708 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8752 -14.8752 -14.8666 -14.8666 -8.0553 -8.0553 -7.4164 -7.4164 -7.3582 -7.3582 -7.3516 -7.3516 -7.1875 -7.1875 -7.1868 -7.1868 -3.7286 -3.7286 -3.6760 -3.6760 -2.3864 -2.3864 -2.3609 -2.3609 -2.2754 -2.2754 -2.2574 -2.2574 -0.2103 -0.2103 0.2296 0.2296 0.2390 0.2390 0.6029 0.6029 0.6255 0.6255 0.8773 0.8773 1.1258 1.1258 1.2940 1.2940 1.6408 1.6408 2.6416 2.6416 2.6995 2.6995 2.9457 2.9457 3.0425 3.0425 3.0804 3.0804 3.1776 3.1776 3.5214 3.5214 3.7052 3.7052 4.0747 4.0747 4.2001 4.2001 4.2934 4.2934 4.3074 4.3074 5.3819 5.3819 5.4600 5.4600 8.2374 8.2374 8.7613 8.7613 8.7695 8.7695 9.1637 9.1637 9.2655 9.2655 9.6292 9.6292 k = 0.2000 0.1155 0.0816 ( 29681 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8749 -14.8749 -14.8668 -14.8668 -8.0498 -8.0498 -7.4267 -7.4267 -7.3555 -7.3555 -7.3488 -7.3488 -7.1913 -7.1913 -7.1905 -7.1905 -3.7243 -3.7243 -3.6742 -3.6742 -2.3813 -2.3813 -2.3507 -2.3507 -2.2745 -2.2745 -2.2526 -2.2526 -0.1857 -0.1857 0.2207 0.2207 0.2319 0.2319 0.5983 0.5983 0.6255 0.6255 0.8788 0.8788 1.1121 1.1121 1.3181 1.3181 1.6639 1.6639 2.6259 2.6259 2.6980 2.6980 2.9334 2.9334 3.0202 3.0202 3.0690 3.0690 3.1842 3.1842 3.5192 3.5192 3.6786 3.6786 4.0304 4.0304 4.1635 4.1635 4.2813 4.2813 4.2865 4.2865 5.3521 5.3521 5.4455 5.4455 8.2902 8.2902 8.8078 8.8078 8.8177 8.8177 9.2395 9.2395 9.2973 9.2973 9.6781 9.6781 k = 0.2200 0.1270 0.0898 ( 29711 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8747 -14.8747 -14.8669 -14.8669 -8.0438 -8.0438 -7.4375 -7.4375 -7.3525 -7.3525 -7.3458 -7.3458 -7.1954 -7.1954 -7.1945 -7.1945 -3.7198 -3.7198 -3.6724 -3.6724 -2.3758 -2.3758 -2.3399 -2.3399 -2.2736 -2.2736 -2.2475 -2.2475 -0.1595 -0.1595 0.2118 0.2118 0.2247 0.2247 0.5937 0.5937 0.6255 0.6255 0.8805 0.8805 1.0968 1.0968 1.3432 1.3432 1.6894 1.6894 2.6089 2.6089 2.6969 2.6969 2.9206 2.9206 2.9960 2.9960 3.0572 3.0572 3.1908 3.1908 3.5181 3.5181 3.6501 3.6501 3.9863 3.9863 4.1237 4.1237 4.2639 4.2639 4.2697 4.2697 5.3223 5.3223 5.4314 5.4314 8.3462 8.3462 8.8566 8.8566 8.8682 8.8682 9.3138 9.3138 9.3319 9.3319 9.7326 9.7326 k = 0.2400 0.1386 0.0980 ( 29690 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8745 -14.8745 -14.8671 -14.8671 -8.0375 -8.0375 -7.4489 -7.4489 -7.3493 -7.3493 -7.3425 -7.3425 -7.1997 -7.1997 -7.1987 -7.1987 -3.7151 -3.7151 -3.6706 -3.6706 -2.3701 -2.3701 -2.3287 -2.3287 -2.2729 -2.2729 -2.2424 -2.2424 -0.1323 -0.1323 0.2030 0.2030 0.2175 0.2175 0.5893 0.5893 0.6256 0.6256 0.8824 0.8824 1.0801 1.0801 1.3687 1.3687 1.7170 1.7170 2.5906 2.5906 2.6965 2.6965 2.9073 2.9073 2.9704 2.9704 3.0449 3.0449 3.1972 3.1972 3.5183 3.5183 3.6199 3.6199 3.9433 3.9433 4.0817 4.0817 4.2400 4.2400 4.2583 4.2583 5.2930 5.2930 5.4179 5.4179 8.4047 8.4047 8.9072 8.9072 8.9204 8.9204 9.3534 9.3534 9.4007 9.4007 9.7912 9.7912 k = 0.2600 0.1501 0.1061 ( 29687 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8742 -14.8742 -14.8673 -14.8673 -8.0309 -8.0309 -7.4605 -7.4605 -7.3458 -7.3458 -7.3390 -7.3390 -7.2043 -7.2043 -7.2032 -7.2032 -3.7104 -3.7104 -3.6688 -3.6688 -2.3641 -2.3641 -2.3172 -2.3172 -2.2722 -2.2722 -2.2373 -2.2373 -0.1044 -0.1044 0.1943 0.1943 0.2106 0.2106 0.5854 0.5854 0.6256 0.6256 0.8845 0.8845 1.0624 1.0624 1.3945 1.3945 1.7464 1.7464 2.5709 2.5709 2.6969 2.6969 2.8935 2.8935 2.9441 2.9441 3.0323 3.0323 3.2032 3.2032 3.5198 3.5198 3.5884 3.5884 3.9021 3.9021 4.0382 4.0382 4.2149 4.2149 4.2473 4.2473 5.2647 5.2647 5.4051 5.4051 8.4653 8.4653 8.9592 8.9592 8.9740 8.9740 9.3815 9.3815 9.4788 9.4788 9.8510 9.8510 k = 0.2800 0.1617 0.1143 ( 29696 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8739 -14.8739 -14.8675 -14.8675 -8.0241 -8.0241 -7.4724 -7.4724 -7.3421 -7.3421 -7.3353 -7.3353 -7.2091 -7.2091 -7.2078 -7.2078 -3.7056 -3.7056 -3.6671 -3.6671 -2.3580 -2.3580 -2.3057 -2.3057 -2.2718 -2.2718 -2.2323 -2.2323 -0.0763 -0.0763 0.1860 0.1860 0.2040 0.2040 0.5822 0.5822 0.6258 0.6258 0.8867 0.8867 1.0441 1.0441 1.4200 1.4200 1.7770 1.7770 2.5501 2.5501 2.6985 2.6985 2.8791 2.8791 2.9179 2.9179 3.0194 3.0194 3.2088 3.2088 3.5224 3.5224 3.5564 3.5564 3.8636 3.8636 3.9940 3.9940 4.1891 4.1891 4.2367 4.2367 5.2378 5.2378 5.3932 5.3932 8.5275 8.5275 9.0123 9.0123 9.0286 9.0286 9.4074 9.4074 9.5551 9.5551 9.9074 9.9074 k = 0.3000 0.1732 0.1225 ( 29684 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8737 -14.8737 -14.8677 -14.8677 -8.0172 -8.0172 -7.4842 -7.4842 -7.3382 -7.3382 -7.3314 -7.3314 -7.2141 -7.2141 -7.2127 -7.2127 -3.7009 -3.7009 -3.6655 -3.6655 -2.3518 -2.3518 -2.2943 -2.2943 -2.2716 -2.2716 -2.2276 -2.2276 -0.0487 -0.0487 0.1780 0.1780 0.1980 0.1980 0.5798 0.5798 0.6259 0.6259 0.8890 0.8890 1.0253 1.0253 1.4448 1.4448 1.8083 1.8083 2.5282 2.5282 2.7013 2.7013 2.8635 2.8635 2.8932 2.8932 3.0063 3.0063 3.2139 3.2139 3.5175 3.5175 3.5327 3.5327 3.8282 3.8282 3.9498 3.9498 4.1627 4.1627 4.2265 4.2265 5.2126 5.2126 5.3823 5.3823 8.5908 8.5908 9.0662 9.0662 9.0841 9.0841 9.4314 9.4314 9.6277 9.6277 9.9540 9.9540 k = 0.3200 0.1848 0.1306 ( 29657 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8734 -14.8734 -14.8680 -14.8680 -8.0103 -8.0103 -7.4958 -7.4958 -7.3342 -7.3342 -7.3273 -7.3273 -7.2192 -7.2192 -7.2176 -7.2176 -3.6963 -3.6963 -3.6641 -3.6641 -2.3456 -2.3456 -2.2831 -2.2831 -2.2717 -2.2717 -2.2231 -2.2231 -0.0220 -0.0220 0.1706 0.1706 0.1925 0.1925 0.5786 0.5786 0.6261 0.6261 0.8913 0.8913 1.0065 1.0065 1.4687 1.4687 1.8399 1.8399 2.5054 2.5054 2.7056 2.7056 2.8455 2.8455 2.8722 2.8722 2.9927 2.9927 3.2185 3.2185 3.4871 3.4871 3.5355 3.5355 3.7965 3.7965 3.9064 3.9064 4.1361 4.1361 4.2170 4.2170 5.1894 5.1894 5.3724 5.3724 8.6546 8.6546 9.1209 9.1209 9.1401 9.1401 9.4532 9.4532 9.6949 9.6949 9.9847 9.9847 k = 0.3400 0.1963 0.1388 ( 29645 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8731 -14.8731 -14.8682 -14.8682 -8.0035 -8.0035 -7.5070 -7.5070 -7.3300 -7.3300 -7.3231 -7.3231 -7.2243 -7.2243 -7.2227 -7.2227 -3.6919 -3.6919 -3.6629 -3.6629 -2.3394 -2.3394 -2.2723 -2.2723 -2.2721 -2.2721 -2.2191 -2.2191 0.0030 0.0030 0.1638 0.1638 0.1878 0.1878 0.5787 0.5787 0.6263 0.6263 0.8935 0.8935 0.9880 0.9880 1.4912 1.4912 1.8711 1.8711 2.4821 2.4821 2.7117 2.7117 2.8250 2.8250 2.8559 2.8559 2.9788 2.9788 3.2225 3.2225 3.4543 3.4543 3.5419 3.5419 3.7689 3.7689 3.8647 3.8647 4.1097 4.1097 4.2081 4.2081 5.1683 5.1683 5.3636 5.3636 8.7185 8.7185 9.1761 9.1761 9.1967 9.1967 9.4723 9.4723 9.7552 9.7552 9.9967 9.9967 k = 0.3600 0.2078 0.1470 ( 29630 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8728 -14.8728 -14.8685 -14.8685 -7.9969 -7.9969 -7.5176 -7.5176 -7.3257 -7.3257 -7.3188 -7.3188 -7.2295 -7.2295 -7.2278 -7.2278 -3.6876 -3.6876 -3.6620 -3.6620 -2.3334 -2.3334 -2.2727 -2.2727 -2.2621 -2.2621 -2.2156 -2.2156 0.0258 0.0258 0.1576 0.1576 0.1840 0.1840 0.5802 0.5802 0.6264 0.6264 0.8956 0.8956 0.9702 0.9702 1.5119 1.5119 1.9013 1.9013 2.4588 2.4588 2.7194 2.7194 2.8038 2.8038 2.8432 2.8432 2.9645 2.9645 3.2260 3.2260 3.4223 3.4223 3.5492 3.5492 3.7455 3.7455 3.8253 3.8253 4.0840 4.0840 4.2000 4.2000 5.1495 5.1495 5.3559 5.3559 8.7818 8.7818 9.2317 9.2317 9.2535 9.2535 9.4882 9.4882 9.8067 9.8067 9.9923 9.9923 k = 0.3800 0.2194 0.1551 ( 29633 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8724 -14.8724 -14.8687 -14.8687 -7.9908 -7.9908 -7.5274 -7.5274 -7.3215 -7.3215 -7.3145 -7.3145 -7.2345 -7.2345 -7.2328 -7.2328 -3.6837 -3.6837 -3.6613 -3.6613 -2.3276 -2.3276 -2.2737 -2.2737 -2.2525 -2.2525 -2.2127 -2.2127 0.0457 0.0457 0.1521 0.1521 0.1812 0.1812 0.5830 0.5830 0.6266 0.6266 0.8973 0.8973 0.9535 0.9535 1.5305 1.5305 1.9297 1.9297 2.4362 2.4362 2.7289 2.7289 2.7839 2.7839 2.8327 2.8327 2.9498 2.9498 3.2289 3.2289 3.3920 3.3920 3.5565 3.5565 3.7267 3.7267 3.7892 3.7892 4.0594 4.0594 4.1927 4.1927 5.1331 5.1331 5.3492 5.3492 8.8439 8.8439 9.2876 9.2876 9.3106 9.3106 9.5000 9.5000 9.8465 9.8465 9.9628 9.9632 k = 0.4000 0.2309 0.1633 ( 29627 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8721 -14.8721 -14.8690 -14.8690 -7.9852 -7.9852 -7.5361 -7.5361 -7.3173 -7.3173 -7.3102 -7.3102 -7.2394 -7.2394 -7.2377 -7.2377 -3.6800 -3.6800 -3.6608 -3.6608 -2.3220 -2.3220 -2.2750 -2.2750 -2.2437 -2.2437 -2.2106 -2.2106 0.0622 0.0622 0.1474 0.1474 0.1795 0.1795 0.5869 0.5869 0.6268 0.6268 0.8984 0.8984 0.9385 0.9385 1.5468 1.5468 1.9557 1.9557 2.4150 2.4150 2.7400 2.7400 2.7662 2.7662 2.8240 2.8240 2.9346 2.9346 3.2314 3.2314 3.3643 3.3643 3.5631 3.5631 3.7125 3.7125 3.7571 3.7571 4.0365 4.0365 4.1864 4.1864 5.1191 5.1191 5.3435 5.3435 8.9038 8.9038 9.3435 9.3435 9.3676 9.3676 9.5066 9.5066 9.8684 9.8684 9.9242 9.9242 k = 0.4200 0.2425 0.1715 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8718 -14.8718 -14.8693 -14.8693 -7.9803 -7.9803 -7.5436 -7.5436 -7.3134 -7.3134 -7.3061 -7.3061 -7.2439 -7.2439 -7.2423 -7.2423 -3.6767 -3.6767 -3.6607 -3.6607 -2.3169 -2.3169 -2.2766 -2.2766 -2.2358 -2.2358 -2.2092 -2.2092 0.0753 0.0753 0.1435 0.1435 0.1788 0.1788 0.5917 0.5917 0.6269 0.6269 0.8983 0.8983 0.9263 0.9263 1.5605 1.5605 1.9784 1.9784 2.3960 2.3960 2.7513 2.7513 2.7523 2.7523 2.8170 2.8170 2.9193 2.9193 3.2333 3.2333 3.3399 3.3399 3.5684 3.5684 3.7028 3.7028 3.7297 3.7297 4.0161 4.0161 4.1812 4.1812 5.1077 5.1077 5.3390 5.3390 8.9600 8.9600 9.3989 9.3989 9.4240 9.4240 9.5075 9.5075 9.8672 9.8672 9.8807 9.8807 k = 0.4400 0.2540 0.1796 ( 29661 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8715 -14.8715 -14.8696 -14.8696 -7.9763 -7.9763 -7.5497 -7.5497 -7.3098 -7.3098 -7.3024 -7.3024 -7.2480 -7.2480 -7.2464 -7.2464 -3.6739 -3.6739 -3.6608 -3.6608 -2.3124 -2.3124 -2.2782 -2.2782 -2.2289 -2.2289 -2.2088 -2.2088 0.0848 0.0848 0.1404 0.1404 0.1790 0.1790 0.5965 0.5965 0.6270 0.6270 0.8959 0.8959 0.9182 0.9182 1.5713 1.5713 1.9971 1.9971 2.3802 2.3802 2.7395 2.7395 2.7653 2.7653 2.8116 2.8116 2.9042 2.9042 3.2348 3.2348 3.3199 3.3199 3.5722 3.5722 3.6972 3.6972 3.7076 3.7076 3.9988 3.9988 4.1771 4.1771 5.0987 5.0987 5.3354 5.3354 9.0104 9.0104 9.4529 9.4529 9.4781 9.4781 9.5037 9.5037 9.8345 9.8345 9.8525 9.8525 k = 0.4600 0.2656 0.1878 ( 29640 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8711 -14.8711 -14.8699 -14.8699 -7.9734 -7.9734 -7.5542 -7.5542 -7.3069 -7.3069 -7.2993 -7.2993 -7.2512 -7.2512 -7.2498 -7.2498 -3.6715 -3.6715 -3.6612 -3.6612 -2.3087 -2.3087 -2.2799 -2.2799 -2.2231 -2.2231 -2.2092 -2.2092 0.0911 0.0911 0.1382 0.1382 0.1796 0.1796 0.6008 0.6008 0.6271 0.6271 0.8917 0.8917 0.9145 0.9145 1.5792 1.5792 2.0111 2.0111 2.3683 2.3683 2.7309 2.7309 2.7778 2.7778 2.8078 2.8078 2.8904 2.8904 3.2359 3.2359 3.3050 3.3050 3.5743 3.5743 3.6915 3.6915 3.6946 3.6946 3.9855 3.9855 4.1741 4.1741 5.0924 5.0924 5.3329 5.3329 9.0518 9.0518 9.4919 9.4919 9.5036 9.5036 9.5330 9.5330 9.7887 9.7887 9.8169 9.8169 k = 0.4800 0.2771 0.1960 ( 29652 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8702 -14.8702 -7.9715 -7.9715 -7.5570 -7.5570 -7.3050 -7.3050 -7.2972 -7.2972 -7.2533 -7.2533 -7.2521 -7.2521 -3.6699 -3.6699 -3.6616 -3.6616 -2.3062 -2.3062 -2.2812 -2.2812 -2.2186 -2.2186 -2.2105 -2.2105 0.0946 0.0946 0.1368 0.1368 0.1802 0.1802 0.6037 0.6037 0.6272 0.6272 0.8879 0.8879 0.9132 0.9132 1.5839 1.5839 2.0197 2.0197 2.3609 2.3609 2.7257 2.7257 2.7876 2.7876 2.8055 2.8055 2.8798 2.8798 3.2365 3.2365 3.2957 3.2957 3.5754 3.5754 3.6816 3.6816 3.6938 3.6938 3.9771 3.9771 4.1723 4.1723 5.0885 5.0885 5.3314 5.3314 9.0798 9.0798 9.4837 9.4837 9.5452 9.5452 9.5757 9.5757 9.7497 9.7497 9.7766 9.7766 k = 0.5000 0.2887 0.2041 ( 29664 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9709 -7.9709 -7.5579 -7.5579 -7.3043 -7.3043 -7.2964 -7.2964 -7.2541 -7.2541 -7.2529 -7.2529 -3.6693 -3.6693 -3.6618 -3.6618 -2.3053 -2.3053 -2.2817 -2.2817 -2.2164 -2.2164 -2.2116 -2.2116 0.0958 0.0958 0.1364 0.1364 0.1805 0.1805 0.6048 0.6048 0.6272 0.6272 0.8864 0.8864 0.9129 0.9129 1.5855 1.5855 2.0226 2.0226 2.3584 2.3584 2.7239 2.7239 2.7915 2.7915 2.8047 2.8047 2.8756 2.8756 3.2367 3.2367 3.2926 3.2926 3.5757 3.5757 3.6783 3.6783 3.6936 3.6936 3.9742 3.9742 4.1717 4.1717 5.0873 5.0873 5.3309 5.3309 9.0898 9.0898 9.4801 9.4801 9.5635 9.5635 9.5949 9.5949 9.7323 9.7323 9.7582 9.7582 k = 0.5000 0.2887 0.2041 ( 29664 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9709 -7.9709 -7.5579 -7.5579 -7.3043 -7.3043 -7.2964 -7.2964 -7.2541 -7.2541 -7.2529 -7.2529 -3.6693 -3.6693 -3.6618 -3.6618 -2.3053 -2.3053 -2.2817 -2.2817 -2.2164 -2.2164 -2.2116 -2.2116 0.0958 0.0958 0.1364 0.1364 0.1805 0.1805 0.6048 0.6048 0.6272 0.6272 0.8864 0.8864 0.9129 0.9129 1.5855 1.5855 2.0226 2.0226 2.3584 2.3584 2.7239 2.7239 2.7915 2.7915 2.8047 2.8047 2.8756 2.8756 3.2367 3.2367 3.2926 3.2926 3.5757 3.5757 3.6783 3.6783 3.6936 3.6936 3.9742 3.9742 4.1717 4.1717 5.0873 5.0873 5.3309 5.3309 9.0898 9.0898 9.4801 9.4801 9.5635 9.5635 9.5949 9.5949 9.7323 9.7323 9.7582 9.7582 k = 0.5074 0.2674 0.2161 ( 29640 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9707 -7.9707 -7.5576 -7.5576 -7.3051 -7.3051 -7.2973 -7.2973 -7.2535 -7.2535 -7.2524 -7.2524 -3.6692 -3.6692 -3.6617 -3.6617 -2.3048 -2.3048 -2.2814 -2.2814 -2.2164 -2.2164 -2.2115 -2.2115 0.0967 0.0967 0.1358 0.1358 0.1801 0.1801 0.6044 0.6044 0.6269 0.6269 0.8895 0.8895 0.9128 0.9128 1.5848 1.5848 2.0217 2.0217 2.3584 2.3584 2.7226 2.7226 2.7914 2.7914 2.8037 2.8037 2.8775 2.8775 3.2369 3.2369 3.2920 3.2920 3.5724 3.5724 3.6742 3.6742 3.6998 3.6998 3.9729 3.9729 4.1695 4.1695 5.0862 5.0862 5.3287 5.3287 9.0925 9.0925 9.4841 9.4841 9.5670 9.5670 9.5984 9.5984 9.7364 9.7364 9.7621 9.7621 k = 0.5147 0.2462 0.2281 ( 29652 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9702 -7.9702 -7.5569 -7.5569 -7.3075 -7.3075 -7.3000 -7.3000 -7.2522 -7.2522 -7.2507 -7.2507 -3.6688 -3.6688 -3.6614 -3.6614 -2.3036 -2.3036 -2.2806 -2.2806 -2.2163 -2.2163 -2.2115 -2.2115 0.0994 0.0994 0.1341 0.1341 0.1794 0.1794 0.6034 0.6034 0.6260 0.6260 0.8986 0.8986 0.9123 0.9123 1.5829 1.5829 2.0189 2.0189 2.3585 2.3585 2.7186 2.7186 2.7909 2.7909 2.8010 2.8010 2.8826 2.8826 3.2373 3.2373 3.2903 3.2903 3.5635 3.5635 3.6676 3.6676 3.7121 3.7121 3.9689 3.9689 4.1631 4.1631 5.0830 5.0830 5.3223 5.3223 9.1007 9.1007 9.4958 9.4958 9.5771 9.5771 9.6097 9.6097 9.7481 9.7481 9.7743 9.7743 k = 0.5221 0.2250 0.2401 ( 29655 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9692 -7.9692 -7.5557 -7.5557 -7.3114 -7.3114 -7.3038 -7.3038 -7.2508 -7.2508 -7.2478 -7.2478 -3.6681 -3.6681 -3.6610 -3.6610 -2.3016 -2.3016 -2.2792 -2.2792 -2.2161 -2.2161 -2.2115 -2.2115 0.1030 0.1030 0.1315 0.1315 0.1791 0.1791 0.6018 0.6018 0.6246 0.6246 0.9115 0.9115 0.9133 0.9133 1.5796 1.5796 2.0143 2.0143 2.3585 2.3585 2.7122 2.7122 2.7894 2.7894 2.7982 2.7982 2.8903 2.8903 3.2376 3.2376 3.2878 3.2878 3.5505 3.5505 3.6606 3.6606 3.7266 3.7266 3.9624 3.9624 4.1529 4.1529 5.0770 5.0770 5.3126 5.3126 9.1140 9.1140 9.5149 9.5149 9.5924 9.5924 9.6299 9.6299 9.7662 9.7662 9.7958 9.7958 k = 0.5294 0.2038 0.2522 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9679 -7.9679 -7.5540 -7.5540 -7.3165 -7.3165 -7.3083 -7.3083 -7.2494 -7.2494 -7.2442 -7.2442 -3.6672 -3.6672 -3.6604 -3.6604 -2.2988 -2.2988 -2.2774 -2.2774 -2.2159 -2.2159 -2.2114 -2.2114 0.1049 0.1049 0.1297 0.1297 0.1802 0.1802 0.5995 0.5995 0.6229 0.6229 0.9106 0.9106 0.9330 0.9330 1.5751 1.5751 2.0079 2.0079 2.3585 2.3585 2.7035 2.7035 2.7863 2.7863 2.7964 2.7964 2.8997 2.8997 3.2375 3.2375 3.2848 3.2848 3.5351 3.5351 3.6529 3.6529 3.7421 3.7421 3.9536 3.9536 4.1392 4.1392 5.0674 5.0674 5.3010 5.3010 9.1320 9.1320 9.5404 9.5404 9.6120 9.6120 9.6599 9.6599 9.7899 9.7899 9.8273 9.8273 k = 0.5368 0.1825 0.2642 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9663 -7.9663 -7.5518 -7.5518 -7.3226 -7.3226 -7.3131 -7.3131 -7.2484 -7.2484 -7.2401 -7.2401 -3.6660 -3.6660 -3.6596 -3.6596 -2.2954 -2.2954 -2.2750 -2.2750 -2.2156 -2.2156 -2.2114 -2.2114 0.1013 0.1013 0.1322 0.1322 0.1836 0.1836 0.5965 0.5965 0.6208 0.6208 0.9094 0.9094 0.9570 0.9570 1.5694 1.5694 2.0001 2.0001 2.3584 2.3584 2.6931 2.6931 2.7822 2.7822 2.7956 2.7956 2.9104 2.9104 3.2361 3.2361 3.2819 3.2819 3.5182 3.5182 3.6440 3.6440 3.7577 3.7577 3.9429 3.9429 4.1229 4.1229 5.0533 5.0533 5.2892 5.2892 9.1541 9.1541 9.5713 9.5713 9.6358 9.6358 9.6994 9.6994 9.8194 9.8194 9.8684 9.8684 k = 0.5441 0.1613 0.2762 ( 29665 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8704 -14.8704 -7.9643 -7.9643 -7.5492 -7.5492 -7.3294 -7.3294 -7.3180 -7.3180 -7.2477 -7.2477 -7.2358 -7.2358 -3.6647 -3.6647 -3.6587 -3.6587 -2.2913 -2.2913 -2.2723 -2.2723 -2.2154 -2.2154 -2.2113 -2.2113 0.0923 0.0923 0.1384 0.1384 0.1899 0.1899 0.5928 0.5928 0.6186 0.6186 0.9080 0.9080 0.9846 0.9846 1.5626 1.5626 1.9908 1.9908 2.3580 2.3580 2.6811 2.6811 2.7779 2.7779 2.7953 2.7953 2.9222 2.9222 3.2329 3.2329 3.2797 3.2797 3.5009 3.5009 3.6337 3.6337 3.7726 3.7726 3.9308 3.9308 4.1047 4.1047 5.0337 5.0337 5.2789 5.2789 9.1797 9.1797 9.6062 9.6062 9.6640 9.6640 9.7474 9.7474 9.8557 9.8557 9.9184 9.9184 k = 0.5515 0.1401 0.2882 ( 29659 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8704 -14.8704 -7.9622 -7.9622 -7.5462 -7.5462 -7.3367 -7.3367 -7.3230 -7.3230 -7.2477 -7.2477 -7.2314 -7.2314 -3.6632 -3.6632 -3.6578 -3.6578 -2.2867 -2.2867 -2.2693 -2.2693 -2.2151 -2.2151 -2.2111 -2.2111 0.0805 0.0805 0.1456 0.1456 0.1997 0.1997 0.5882 0.5882 0.6164 0.6164 0.9066 0.9066 1.0148 1.0148 1.5549 1.5549 1.9803 1.9803 2.3574 2.3574 2.6680 2.6680 2.7739 2.7739 2.7952 2.7952 2.9349 2.9349 3.2276 3.2276 3.2783 3.2783 3.4835 3.4835 3.6217 3.6217 3.7859 3.7859 3.9182 3.9182 4.0858 4.0858 5.0082 5.0082 5.2713 5.2713 9.2079 9.2079 9.6440 9.6440 9.6963 9.6963 9.8028 9.8028 9.8998 9.8998 9.9764 9.9764 k = 0.5588 0.1189 0.3002 ( 29675 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8704 -14.8704 -7.9598 -7.9598 -7.5428 -7.5428 -7.3442 -7.3442 -7.3279 -7.3279 -7.2482 -7.2482 -7.2269 -7.2269 -3.6616 -3.6616 -3.6567 -3.6567 -2.2817 -2.2817 -2.2660 -2.2660 -2.2149 -2.2149 -2.2109 -2.2109 0.0673 0.0673 0.1524 0.1524 0.2130 0.2130 0.5829 0.5829 0.6144 0.6144 0.9052 0.9052 1.0468 1.0468 1.5464 1.5464 1.9688 1.9688 2.3564 2.3564 2.6541 2.6541 2.7705 2.7705 2.7951 2.7951 2.9484 2.9484 3.2203 3.2203 3.2777 3.2777 3.4666 3.4666 3.6077 3.6077 3.7963 3.7963 3.9063 3.9063 4.0672 4.0672 4.9773 4.9773 5.2671 5.2671 9.2381 9.2381 9.6832 9.6832 9.7323 9.7323 9.8643 9.8643 9.9523 9.9523 10.0412 10.0412 k = 0.5662 0.0976 0.3122 ( 29680 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8703 -14.8703 -7.9574 -7.9574 -7.5391 -7.5391 -7.3518 -7.3518 -7.3328 -7.3328 -7.2493 -7.2493 -7.2224 -7.2224 -3.6599 -3.6599 -3.6556 -3.6556 -2.2765 -2.2765 -2.2625 -2.2625 -2.2147 -2.2147 -2.2106 -2.2106 0.0534 0.0534 0.1585 0.1585 0.2292 0.2292 0.5769 0.5769 0.6126 0.6126 0.9039 0.9039 1.0796 1.0796 1.5377 1.5377 1.9565 1.9565 2.3548 2.3548 2.6398 2.6398 2.7679 2.7679 2.7952 2.7952 2.9626 2.9626 3.2115 3.2115 3.2773 3.2773 3.4505 3.4505 3.5918 3.5918 3.8022 3.8022 3.8963 3.8963 4.0504 4.0504 4.9420 4.9420 5.2662 5.2662 9.2695 9.2695 9.7221 9.7221 9.7717 9.7717 9.9304 9.9304 10.0130 10.0130 10.1120 10.1120 k = 0.5735 0.0764 0.3242 ( 29669 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8703 -14.8703 -7.9548 -7.9548 -7.5351 -7.5351 -7.3590 -7.3590 -7.3376 -7.3376 -7.2511 -7.2511 -7.2180 -7.2180 -3.6581 -3.6581 -3.6545 -3.6545 -2.2711 -2.2711 -2.2589 -2.2589 -2.2147 -2.2147 -2.2101 -2.2101 0.0394 0.0394 0.1641 0.1641 0.2475 0.2475 0.5703 0.5703 0.6110 0.6110 0.9027 0.9027 1.1122 1.1122 1.5290 1.5290 1.9436 1.9436 2.3528 2.3528 2.6254 2.6254 2.7661 2.7661 2.7955 2.7955 2.9775 2.9775 3.2021 3.2021 3.2765 3.2765 3.4354 3.4354 3.5738 3.5738 3.8028 3.8028 3.8888 3.8888 4.0370 4.0370 4.9036 4.9036 5.2683 5.2683 9.3016 9.3016 9.7586 9.7586 9.8148 9.8148 9.9989 9.9989 10.0805 10.0805 10.1877 10.1877 k = 0.5809 0.0552 0.3362 ( 29672 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8702 -14.8702 -7.9523 -7.9523 -7.5309 -7.5309 -7.3659 -7.3659 -7.3423 -7.3423 -7.2535 -7.2535 -7.2137 -7.2137 -3.6564 -3.6564 -3.6534 -3.6534 -2.2658 -2.2658 -2.2554 -2.2554 -2.2147 -2.2147 -2.2096 -2.2096 0.0255 0.0255 0.1696 0.1696 0.2671 0.2671 0.5633 0.5633 0.6098 0.6098 0.9016 0.9016 1.1434 1.1434 1.5211 1.5211 1.9304 1.9304 2.3502 2.3502 2.6112 2.6112 2.7654 2.7654 2.7960 2.7960 2.9929 2.9929 3.1924 3.1924 3.2749 3.2749 3.4217 3.4217 3.5537 3.5537 3.7984 3.7984 3.8828 3.8828 4.0287 4.0287 4.8636 4.8636 5.2728 5.2728 9.3339 9.3339 9.7911 9.7911 9.8609 9.8609 10.0673 10.0673 10.1523 10.1523 10.2672 10.2672 k = 0.5882 0.0340 0.3482 ( 29680 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8701 -14.8701 -7.9499 -7.9499 -7.5266 -7.5266 -7.3721 -7.3721 -7.3469 -7.3469 -7.2564 -7.2564 -7.2095 -7.2095 -3.6548 -3.6548 -3.6524 -3.6524 -2.2606 -2.2606 -2.2522 -2.2522 -2.2148 -2.2148 -2.2089 -2.2089 0.0122 0.0122 0.1749 0.1749 0.2871 0.2871 0.5560 0.5560 0.6090 0.6090 0.9009 0.9009 1.1719 1.1719 1.5147 1.5147 1.9171 1.9171 2.3471 2.3471 2.5974 2.5974 2.7657 2.7657 2.7970 2.7970 3.0086 3.0086 3.1832 3.1832 3.2722 3.2722 3.4094 3.4094 3.5320 3.5320 3.7911 3.7911 3.8759 3.8759 4.0266 4.0266 4.8233 4.8233 5.2794 5.2794 9.3660 9.3660 9.8192 9.8192 9.9080 9.9080 10.1323 10.1323 10.2239 10.2239 10.3493 10.3493 k = 0.5956 0.0127 0.3602 ( 29675 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8707 -14.8707 -14.8700 -14.8700 -7.9478 -7.9478 -7.5221 -7.5221 -7.3775 -7.3775 -7.3512 -7.3512 -7.2600 -7.2600 -7.2055 -7.2055 -3.6533 -3.6533 -3.6514 -3.6514 -2.2558 -2.2558 -2.2492 -2.2492 -2.2149 -2.2149 -2.2081 -2.2081 -0.0003 -0.0003 0.1803 0.1803 0.3068 0.3068 0.5486 0.5486 0.6086 0.6086 0.9004 0.9004 1.1962 1.1962 1.5107 1.5107 1.9041 1.9041 2.3436 2.3436 2.5845 2.5845 2.7671 2.7671 2.7985 2.7985 3.0243 3.0243 3.1750 3.1750 3.2680 3.2680 3.3987 3.3987 3.5092 3.5092 3.7831 3.7831 3.8669 3.8669 4.0305 4.0305 4.7838 4.7838 5.2877 5.2877 9.3975 9.3975 9.8428 9.8428 9.9536 9.9536 10.1901 10.1901 10.2890 10.2890 10.4325 10.4325 k = 0.6029-0.0085 0.3722 ( 29679 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8700 -14.8700 -7.9459 -7.9459 -7.5177 -7.5177 -7.3819 -7.3819 -7.3554 -7.3554 -7.2640 -7.2640 -7.2016 -7.2016 -3.6520 -3.6520 -3.6505 -3.6505 -2.2516 -2.2516 -2.2468 -2.2468 -2.2149 -2.2149 -2.2072 -2.2072 -0.0121 -0.0121 0.1858 0.1858 0.3253 0.3253 0.5413 0.5413 0.6088 0.6088 0.9003 0.9003 1.2152 1.2152 1.5098 1.5098 1.8917 1.8917 2.3400 2.3400 2.5726 2.5726 2.7697 2.7697 2.8008 2.8008 3.0395 3.0395 3.1681 3.1681 3.2624 3.2624 3.3895 3.3895 3.4865 3.4865 3.7756 3.7756 3.8563 3.8563 4.0391 4.0391 4.7463 4.7463 5.2974 5.2974 9.4282 9.4282 9.8613 9.8613 9.9951 9.9951 10.2368 10.2368 10.3403 10.3403 10.5136 10.5136 k = 0.6103-0.0297 0.3842 ( 29681 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8699 -14.8699 -7.9444 -7.9444 -7.5132 -7.5132 -7.3851 -7.3851 -7.3593 -7.3593 -7.2685 -7.2685 -7.1978 -7.1978 -3.6510 -3.6510 -3.6497 -3.6497 -2.2481 -2.2481 -2.2448 -2.2448 -2.2148 -2.2148 -2.2062 -2.2062 -0.0228 -0.0228 0.1913 0.1913 0.3419 0.3419 0.5342 0.5342 0.6097 0.6097 0.9005 0.9005 1.2279 1.2279 1.5120 1.5120 1.8803 1.8803 2.3365 2.3365 2.5619 2.5619 2.7733 2.7733 2.8039 2.8039 3.0535 3.0535 3.1630 3.1630 3.2556 3.2556 3.3812 3.3812 3.4654 3.4654 3.7690 3.7690 3.8454 3.8454 4.0511 4.0511 4.7115 4.7115 5.3082 5.3082 9.4573 9.4573 9.8745 9.8745 10.0304 10.0304 10.2695 10.2695 10.3719 10.3719 10.5233 10.5233 k = 0.6176-0.0509 0.3962 ( 29684 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8709 -14.8709 -14.8698 -14.8698 -7.9434 -7.9434 -7.5088 -7.5088 -7.3870 -7.3870 -7.3630 -7.3630 -7.2734 -7.2734 -7.1943 -7.1943 -3.6503 -3.6503 -3.6489 -3.6489 -2.2462 -2.2462 -2.2430 -2.2430 -2.2146 -2.2146 -2.2052 -2.2052 -0.0324 -0.0324 0.1970 0.1970 0.3559 0.3559 0.5275 0.5275 0.6114 0.6114 0.9010 0.9010 1.2344 1.2344 1.5170 1.5170 1.8703 1.8703 2.3338 2.3338 2.5526 2.5526 2.7779 2.7779 2.8081 2.8081 3.0654 3.0654 3.1598 3.1598 3.2482 3.2482 3.3731 3.3731 3.4481 3.4481 3.7627 3.7627 3.8360 3.8360 4.0651 4.0651 4.6803 4.6803 5.3199 5.3199 9.4839 9.4839 9.8818 9.8818 10.0581 10.0581 10.2863 10.2863 10.3774 10.3774 10.4893 10.4893 k = 0.6250-0.0722 0.4082 ( 29700 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9430 -7.9430 -7.5044 -7.5044 -7.3876 -7.3876 -7.3664 -7.3664 -7.2786 -7.2786 -7.1909 -7.1909 -3.6502 -3.6502 -3.6481 -3.6481 -2.2460 -2.2460 -2.2409 -2.2409 -2.2144 -2.2144 -2.2042 -2.2042 -0.0409 -0.0409 0.2028 0.2028 0.3667 0.3667 0.5211 0.5211 0.6137 0.6137 0.9018 0.9018 1.2356 1.2356 1.5233 1.5233 1.8620 1.8620 2.3322 2.3322 2.5448 2.5448 2.7835 2.7835 2.8135 2.8135 3.0743 3.0743 3.1581 3.1581 3.2409 3.2409 3.3647 3.3647 3.4369 3.4369 3.7555 3.7555 3.8303 3.8303 4.0802 4.0802 4.6530 4.6530 5.3324 5.3324 9.5069 9.5069 9.8831 9.8831 10.0777 10.0777 10.2872 10.2872 10.3480 10.3480 10.4671 10.4671 k = 0.6250-0.0722 0.4082 ( 29700 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9430 -7.9430 -7.5044 -7.5044 -7.3876 -7.3876 -7.3664 -7.3664 -7.2786 -7.2786 -7.1909 -7.1909 -3.6502 -3.6502 -3.6481 -3.6481 -2.2460 -2.2460 -2.2409 -2.2409 -2.2144 -2.2144 -2.2042 -2.2042 -0.0409 -0.0409 0.2028 0.2028 0.3667 0.3667 0.5211 0.5211 0.6137 0.6137 0.9018 0.9018 1.2356 1.2356 1.5233 1.5233 1.8620 1.8620 2.3322 2.3322 2.5448 2.5448 2.7835 2.7835 2.8135 2.8135 3.0743 3.0743 3.1581 3.1581 3.2409 3.2409 3.3647 3.3647 3.4369 3.4369 3.7555 3.7555 3.8303 3.8303 4.0802 4.0802 4.6530 4.6530 5.3324 5.3324 9.5069 9.5069 9.8831 9.8831 10.0777 10.0777 10.2872 10.2872 10.3480 10.3480 10.4671 10.4671 k = 0.6125-0.0650 0.4287 ( 29678 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9429 -7.9429 -7.5044 -7.5044 -7.3876 -7.3876 -7.3672 -7.3672 -7.2776 -7.2776 -7.1912 -7.1912 -3.6501 -3.6501 -3.6481 -3.6481 -2.2458 -2.2458 -2.2408 -2.2408 -2.2144 -2.2144 -2.2043 -2.2043 -0.0403 -0.0403 0.2014 0.2014 0.3679 0.3679 0.5212 0.5212 0.6133 0.6133 0.9017 0.9017 1.2370 1.2370 1.5224 1.5224 1.8617 1.8617 2.3321 2.3321 2.5447 2.5447 2.7825 2.7825 2.8144 2.8144 3.0747 3.0747 3.1579 3.1579 3.2403 3.2403 3.3649 3.3649 3.4369 3.4369 3.7563 3.7563 3.8289 3.8289 4.0787 4.0787 4.6551 4.6551 5.3304 5.3304 9.5094 9.5094 9.8885 9.8885 10.0795 10.0795 10.2862 10.2862 10.3485 10.3485 10.4687 10.4687 k = 0.6000-0.0577 0.4491 ( 29659 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9426 -7.9426 -7.5043 -7.5043 -7.3878 -7.3878 -7.3693 -7.3693 -7.2748 -7.2748 -7.1923 -7.1923 -3.6500 -3.6500 -3.6480 -3.6480 -2.2453 -2.2453 -2.2403 -2.2403 -2.2145 -2.2145 -2.2047 -2.2047 -0.0387 -0.0387 0.1974 0.1974 0.3714 0.3714 0.5214 0.5214 0.6122 0.6122 0.9015 0.9015 1.2413 1.2413 1.5198 1.5198 1.8610 1.8610 2.3318 2.3318 2.5446 2.5446 2.7797 2.7797 2.8167 2.8167 3.0758 3.0758 3.1571 3.1571 3.2385 3.2385 3.3657 3.3657 3.4370 3.4370 3.7578 3.7578 3.8258 3.8258 4.0742 4.0742 4.6609 4.6609 5.3245 5.3245 9.5167 9.5167 9.9043 9.9043 10.0849 10.0849 10.2836 10.2836 10.3500 10.3500 10.4726 10.4726 k = 0.5875-0.0505 0.4695 ( 29663 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9421 -7.9421 -7.5041 -7.5041 -7.3882 -7.3882 -7.3724 -7.3724 -7.2705 -7.2705 -7.1940 -7.1940 -3.6498 -3.6498 -3.6479 -3.6479 -2.2445 -2.2445 -2.2395 -2.2395 -2.2145 -2.2145 -2.2053 -2.2053 -0.0361 -0.0361 0.1912 0.1912 0.3767 0.3767 0.5217 0.5217 0.6102 0.6102 0.9011 0.9011 1.2482 1.2482 1.5156 1.5156 1.8599 1.8599 2.3312 2.3312 2.5444 2.5444 2.7760 2.7760 2.8196 2.8196 3.0781 3.0781 3.1558 3.1558 3.2352 3.2352 3.3667 3.3667 3.4378 3.4378 3.7573 3.7573 3.8238 3.8238 4.0670 4.0670 4.6699 4.6699 5.3153 5.3153 9.5280 9.5280 9.9302 9.9302 10.0942 10.0942 10.2795 10.2795 10.3524 10.3524 10.4765 10.4765 k = 0.5750-0.0433 0.4899 ( 29653 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8709 -14.8709 -14.8698 -14.8698 -7.9415 -7.9415 -7.5040 -7.5040 -7.3886 -7.3886 -7.3760 -7.3760 -7.2652 -7.2652 -7.1965 -7.1965 -3.6496 -3.6496 -3.6477 -3.6477 -2.2434 -2.2434 -2.2385 -2.2385 -2.2146 -2.2146 -2.2061 -2.2061 -0.0327 -0.0327 0.1837 0.1837 0.3831 0.3831 0.5221 0.5221 0.6077 0.6077 0.9006 0.9006 1.2572 1.2572 1.5101 1.5101 1.8584 1.8584 2.3304 2.3304 2.5441 2.5441 2.7719 2.7719 2.8225 2.8225 3.0817 3.0817 3.1541 3.1541 3.2302 3.2302 3.3678 3.3678 3.4398 3.4398 3.7512 3.7512 3.8271 3.8271 4.0570 4.0570 4.6812 4.6812 5.3035 5.3035 9.5422 9.5422 9.9657 9.9657 10.1081 10.1081 10.2744 10.2744 10.3552 10.3552 10.4773 10.4773 k = 0.5625-0.0361 0.5103 ( 29657 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8698 -14.8698 -7.9408 -7.9408 -7.5039 -7.5039 -7.3893 -7.3893 -7.3796 -7.3796 -7.2592 -7.2592 -7.1995 -7.1995 -3.6493 -3.6493 -3.6475 -3.6475 -2.2420 -2.2420 -2.2373 -2.2373 -2.2148 -2.2148 -2.2071 -2.2071 -0.0288 -0.0288 0.1756 0.1756 0.3901 0.3901 0.5226 0.5226 0.6046 0.6046 0.9000 0.9000 1.2678 1.2678 1.5038 1.5038 1.8567 1.8567 2.3294 2.3294 2.5439 2.5439 2.7677 2.7677 2.8249 2.8249 3.0870 3.0870 3.1520 3.1520 3.2235 3.2235 3.3686 3.3686 3.4434 3.4434 3.7391 3.7391 3.8369 3.8369 4.0444 4.0444 4.6936 4.6936 5.2901 5.2901 9.5577 9.5577 10.0096 10.0096 10.1270 10.1270 10.2688 10.2688 10.3587 10.3587 10.4724 10.4724 k = 0.5500-0.0289 0.5307 ( 29642 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8699 -14.8699 -7.9400 -7.9400 -7.5038 -7.5038 -7.3903 -7.3903 -7.3827 -7.3827 -7.2528 -7.2528 -7.2032 -7.2032 -3.6490 -3.6490 -3.6474 -3.6474 -2.2405 -2.2405 -2.2361 -2.2361 -2.2149 -2.2149 -2.2082 -2.2082 -0.0247 -0.0247 0.1676 0.1676 0.3970 0.3970 0.5233 0.5233 0.6013 0.6013 0.8995 0.8995 1.2790 1.2790 1.4970 1.4970 1.8548 1.8548 2.3284 2.3284 2.5437 2.5437 2.7638 2.7638 2.8266 2.8266 3.0941 3.0941 3.1496 3.1496 3.2152 3.2152 3.3691 3.3691 3.4486 3.4486 3.7235 3.7235 3.8515 3.8515 4.0297 4.0297 4.7060 4.7060 5.2763 5.2763 9.5730 9.5730 10.0598 10.0598 10.1507 10.1507 10.2629 10.2629 10.3632 10.3632 10.4613 10.4613 k = 0.5375-0.0217 0.5511 ( 29651 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8707 -14.8707 -14.8700 -14.8700 -7.9393 -7.9393 -7.5038 -7.5038 -7.3915 -7.3915 -7.3849 -7.3849 -7.2464 -7.2464 -7.2073 -7.2073 -3.6487 -3.6487 -3.6473 -3.6473 -2.2390 -2.2390 -2.2350 -2.2350 -2.2151 -2.2151 -2.2093 -2.2093 -0.0209 -0.0209 0.1605 0.1605 0.4032 0.4032 0.5241 0.5241 0.5979 0.5979 0.8989 0.8989 1.2897 1.2897 1.4906 1.4906 1.8530 1.8530 2.3272 2.3272 2.5436 2.5436 2.7603 2.7603 2.8277 2.8277 3.1030 3.1030 3.1468 3.1468 3.2059 3.2059 3.3691 3.3691 3.4546 3.4546 3.7074 3.7074 3.8690 3.8690 4.0131 4.0131 4.7171 4.7171 5.2636 5.2636 9.5864 9.5864 10.1127 10.1127 10.1784 10.1784 10.2575 10.2575 10.3706 10.3706 10.4455 10.4455 k = 0.5250-0.0144 0.5715 ( 29671 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8701 -14.8701 -7.9387 -7.9387 -7.5039 -7.5039 -7.3927 -7.3927 -7.3863 -7.3863 -7.2402 -7.2402 -7.2118 -7.2118 -3.6484 -3.6484 -3.6472 -3.6472 -2.2374 -2.2374 -2.2343 -2.2343 -2.2153 -2.2153 -2.2102 -2.2102 -0.0177 -0.0177 0.1548 0.1548 0.4082 0.4082 0.5249 0.5249 0.5950 0.5950 0.8984 0.8984 1.2988 1.2988 1.4852 1.4852 1.8514 1.8514 2.3262 2.3262 2.5434 2.5434 2.7575 2.7575 2.8281 2.8281 3.1130 3.1130 3.1434 3.1434 3.1966 3.1966 3.3690 3.3690 3.4601 3.4601 3.6935 3.6935 3.8874 3.8874 3.9956 3.9956 4.7257 4.7257 5.2533 5.2533 9.5968 9.5968 10.1610 10.1610 10.2070 10.2070 10.2529 10.2529 10.3845 10.3845 10.4286 10.4286 k = 0.5125-0.0072 0.5920 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8702 -14.8702 -7.9383 -7.9383 -7.5040 -7.5040 -7.3935 -7.3935 -7.3871 -7.3871 -7.2349 -7.2349 -7.2161 -7.2161 -3.6481 -3.6481 -3.6472 -3.6472 -2.2361 -2.2361 -2.2340 -2.2340 -2.2155 -2.2155 -2.2108 -2.2108 -0.0156 -0.0156 0.1512 0.1512 0.4114 0.4114 0.5257 0.5257 0.5928 0.5928 0.8981 0.8981 1.3049 1.3049 1.4817 1.4817 1.8503 1.8503 2.3255 2.3255 2.5434 2.5434 2.7557 2.7557 2.8283 2.8283 3.1233 3.1233 3.1392 3.1392 3.1891 3.1891 3.3688 3.3688 3.4640 3.4640 3.6841 3.6841 3.9043 3.9043 3.9794 3.9794 4.7312 4.7312 5.2465 5.2465 9.6034 9.6034 10.1937 10.1937 10.2303 10.2303 10.2504 10.2504 10.4038 10.4038 10.4220 10.4220 k = 0.5000 0.0000 0.6124 ( 29716 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9381 -7.9381 -7.5041 -7.5041 -7.3938 -7.3938 -7.3874 -7.3874 -7.2323 -7.2323 -7.2183 -7.2183 -3.6480 -3.6480 -3.6473 -3.6473 -2.2354 -2.2354 -2.2341 -2.2341 -2.2155 -2.2155 -2.2110 -2.2110 -0.0149 -0.0149 0.1499 0.1499 0.4125 0.4125 0.5260 0.5260 0.5920 0.5920 0.8980 0.8980 1.3071 1.3071 1.4805 1.4805 1.8499 1.8499 2.3251 2.3251 2.5433 2.5433 2.7550 2.7550 2.8282 2.8282 3.1304 3.1304 3.1346 3.1346 3.1860 3.1860 3.3688 3.3688 3.4653 3.4653 3.6807 3.6807 3.9124 3.9124 3.9714 3.9714 4.7331 4.7331 5.2442 5.2442 9.6056 9.6056 10.2042 10.2042 10.2378 10.2378 10.2516 10.2516 10.4041 10.4041 10.4410 10.4410 k = 0.5000 0.0000 0.6124 ( 29716 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9604 -44.9604 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9381 -7.9381 -7.5041 -7.5041 -7.3938 -7.3938 -7.3874 -7.3874 -7.2323 -7.2323 -7.2183 -7.2183 -3.6480 -3.6480 -3.6473 -3.6473 -2.2354 -2.2354 -2.2341 -2.2341 -2.2155 -2.2155 -2.2110 -2.2110 -0.0149 -0.0149 0.1499 0.1499 0.4125 0.4125 0.5260 0.5260 0.5920 0.5920 0.8980 0.8980 1.3071 1.3071 1.4805 1.4805 1.8499 1.8499 2.3251 2.3251 2.5433 2.5433 2.7550 2.7550 2.8282 2.8282 3.1304 3.1304 3.1346 3.1346 3.1860 3.1860 3.3688 3.3688 3.4653 3.4653 3.6807 3.6807 3.9124 3.9124 3.9714 3.9714 4.7331 4.7331 5.2442 5.2442 9.6056 9.6056 10.2042 10.2042 10.2378 10.2378 10.2516 10.2516 10.4041 10.4041 10.4410 10.4410 k = 0.5000 0.0144 0.5920 ( 29662 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9383 -7.9383 -7.5046 -7.5046 -7.3932 -7.3932 -7.3868 -7.3868 -7.2324 -7.2324 -7.2184 -7.2184 -3.6481 -3.6481 -3.6474 -3.6474 -2.2358 -2.2358 -2.2345 -2.2345 -2.2155 -2.2155 -2.2110 -2.2110 -0.0141 -0.0141 0.1498 0.1498 0.4100 0.4100 0.5269 0.5269 0.5923 0.5923 0.8980 0.8980 1.3052 1.3052 1.4803 1.4803 1.8514 1.8514 2.3257 2.3257 2.5443 2.5443 2.7552 2.7552 2.8273 2.8273 3.1192 3.1192 3.1407 3.1407 3.1921 3.1921 3.3689 3.3689 3.4663 3.4663 3.6837 3.6837 3.9123 3.9123 3.9712 3.9712 4.7353 4.7353 5.2442 5.2442 9.6007 9.6007 10.1958 10.1958 10.2259 10.2259 10.2468 10.2468 10.4127 10.4127 10.4404 10.4404 k = 0.5000 0.0289 0.5715 ( 29660 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9390 -7.9390 -7.5061 -7.5061 -7.3916 -7.3916 -7.3852 -7.3852 -7.2325 -7.2325 -7.2187 -7.2187 -3.6484 -3.6484 -3.6477 -3.6477 -2.2372 -2.2372 -2.2357 -2.2357 -2.2152 -2.2152 -2.2109 -2.2109 -0.0119 -0.0119 0.1496 0.1496 0.4027 0.4027 0.5293 0.5293 0.5932 0.5932 0.8981 0.8981 1.2995 1.2995 1.4802 1.4802 1.8559 1.8559 2.3274 2.3274 2.5471 2.5471 2.7560 2.7560 2.8247 2.8247 3.1030 3.1030 3.1451 3.1451 3.2065 3.2065 3.3695 3.3695 3.4694 3.4694 3.6923 3.6923 3.9117 3.9117 3.9705 3.9705 4.7421 4.7421 5.2443 5.2443 9.5862 9.5862 10.1724 10.1724 10.1879 10.1879 10.2446 10.2446 10.4139 10.4139 10.4424 10.4424 k = 0.5000 0.0433 0.5511 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9400 -7.9400 -7.5085 -7.5085 -7.3890 -7.3890 -7.3825 -7.3825 -7.2328 -7.2328 -7.2191 -7.2191 -3.6490 -3.6490 -3.6482 -3.6482 -2.2395 -2.2395 -2.2375 -2.2375 -2.2149 -2.2149 -2.2108 -2.2108 -0.0083 -0.0083 0.1493 0.1493 0.3912 0.3912 0.5331 0.5331 0.5945 0.5945 0.8982 0.8982 1.2894 1.2894 1.4807 1.4807 1.8629 1.8629 2.3300 2.3300 2.5517 2.5517 2.7572 2.7572 2.8208 2.8208 3.0858 3.0858 3.1490 3.1490 3.2237 3.2237 3.3705 3.3705 3.4753 3.4753 3.7056 3.7056 3.9105 3.9105 3.9699 3.9699 4.7534 4.7534 5.2444 5.2444 9.5636 9.5636 10.1363 10.1363 10.1404 10.1404 10.2411 10.2411 10.3851 10.3851 10.4497 10.4497 k = 0.5000 0.0577 0.5307 ( 29666 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8703 -14.8703 -14.8703 -14.8703 -7.9415 -7.9415 -7.5116 -7.5116 -7.3856 -7.3856 -7.3788 -7.3788 -7.2331 -7.2331 -7.2198 -7.2198 -3.6498 -3.6498 -3.6488 -3.6488 -2.2427 -2.2427 -2.2397 -2.2397 -2.2147 -2.2147 -2.2107 -2.2107 -0.0033 -0.0033 0.1489 0.1489 0.3762 0.3762 0.5377 0.5377 0.5961 0.5961 0.8984 0.8984 1.2747 1.2747 1.4827 1.4827 1.8721 1.8721 2.3333 2.3333 2.5581 2.5581 2.7588 2.7588 2.8158 2.8158 3.0685 3.0685 3.1535 3.1535 3.2405 3.2405 3.3723 3.3723 3.4843 3.4843 3.7224 3.7224 3.9084 3.9084 3.9701 3.9701 4.7688 4.7688 5.2446 5.2446 9.5345 9.5345 10.0847 10.0847 10.0971 10.0971 10.2320 10.2320 10.3438 10.3438 10.4480 10.4480 k = 0.5000 0.0722 0.5103 ( 29660 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8704 -14.8704 -7.9432 -7.9432 -7.5152 -7.5152 -7.3816 -7.3816 -7.3743 -7.3743 -7.2336 -7.2336 -7.2206 -7.2206 -3.6509 -3.6509 -3.6496 -3.6496 -2.2466 -2.2466 -2.2424 -2.2424 -2.2144 -2.2144 -2.2106 -2.2106 0.0031 0.0031 0.1483 0.1483 0.3586 0.3586 0.5431 0.5431 0.5981 0.5981 0.8987 0.8987 1.2552 1.2552 1.4867 1.4867 1.8828 1.8828 2.3370 2.3370 2.5663 2.5663 2.7607 2.7607 2.8105 2.8105 3.0516 3.0516 3.1591 3.1591 3.2552 3.2552 3.3758 3.3758 3.4964 3.4964 3.7412 3.7412 3.9052 3.9052 3.9721 3.9721 4.7884 4.7884 5.2449 5.2449 9.5007 9.5007 10.0305 10.0305 10.0507 10.0507 10.2137 10.2137 10.2974 10.2974 10.4334 10.4334 k = 0.5000 0.0866 0.4899 ( 29648 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8704 -14.8704 -7.9453 -7.9453 -7.5192 -7.5192 -7.3769 -7.3769 -7.3691 -7.3691 -7.2341 -7.2341 -7.2216 -7.2216 -3.6521 -3.6521 -3.6505 -3.6505 -2.2511 -2.2511 -2.2453 -2.2453 -2.2142 -2.2142 -2.2106 -2.2106 0.0108 0.0108 0.1476 0.1476 0.3390 0.3390 0.5488 0.5488 0.6002 0.6002 0.8991 0.8991 1.2315 1.2315 1.4926 1.4926 1.8947 1.8947 2.3408 2.3408 2.5761 2.5761 2.7628 2.7628 2.8053 2.8053 3.0351 3.0351 3.1660 3.1660 3.2665 3.2665 3.3818 3.3818 3.5113 3.5113 3.7605 3.7605 3.9007 3.9007 3.9766 3.9766 4.8115 4.8115 5.2454 5.2454 9.4637 9.4637 9.9764 9.9764 10.0018 10.0018 10.1840 10.1840 10.2485 10.2485 10.4039 10.4039 k = 0.5000 0.1010 0.4695 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8704 -14.8704 -7.9476 -7.9476 -7.5234 -7.5234 -7.3717 -7.3717 -7.3633 -7.3633 -7.2349 -7.2349 -7.2229 -7.2229 -3.6535 -3.6535 -3.6514 -3.6514 -2.2559 -2.2559 -2.2486 -2.2486 -2.2141 -2.2141 -2.2106 -2.2106 0.0197 0.0197 0.1468 0.1468 0.3181 0.3181 0.5549 0.5549 0.6024 0.6024 0.8998 0.8998 1.2041 1.2041 1.5001 1.5001 1.9073 1.9073 2.3446 2.3446 2.5873 2.5873 2.7649 2.7649 2.8006 2.8006 3.0190 3.0190 3.1740 3.1740 3.2742 3.2742 3.3908 3.3908 3.5280 3.5280 3.7791 3.7791 3.8953 3.8953 3.9845 3.9845 4.8379 4.8379 5.2461 5.2461 9.4251 9.4251 9.9234 9.9234 9.9516 9.9516 10.1439 10.1439 10.1961 10.1961 10.3594 10.3594 k = 0.5000 0.1155 0.4491 ( 29650 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8704 -14.8704 -7.9500 -7.9500 -7.5276 -7.5276 -7.3661 -7.3661 -7.3572 -7.3572 -7.2358 -7.2358 -7.2244 -7.2244 -3.6551 -3.6551 -3.6525 -3.6525 -2.2611 -2.2611 -2.2521 -2.2521 -2.2141 -2.2141 -2.2107 -2.2107 0.0296 0.0296 0.1458 0.1458 0.2965 0.2965 0.5611 0.5611 0.6046 0.6046 0.9006 0.9006 1.1740 1.1740 1.5089 1.5089 1.9203 1.9203 2.3480 2.3480 2.5997 2.5997 2.7670 2.7670 2.7969 2.7969 3.0034 3.0034 3.1831 3.1831 3.2785 3.2785 3.4027 3.4027 3.5456 3.5456 3.7952 3.7952 3.8899 3.8899 3.9957 3.9957 4.8668 4.8668 5.2472 5.2472 9.3859 9.3859 9.8721 9.8721 9.9015 9.9015 10.0969 10.0969 10.1388 10.1388 10.3026 10.3026 k = 0.5000 0.1299 0.4287 ( 29648 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8704 -14.8704 -7.9526 -7.9526 -7.5318 -7.5318 -7.3600 -7.3600 -7.3508 -7.3508 -7.2368 -7.2368 -7.2261 -7.2261 -3.6567 -3.6567 -3.6536 -3.6536 -2.2665 -2.2665 -2.2557 -2.2557 -2.2142 -2.2142 -2.2108 -2.2108 0.0404 0.0404 0.1446 0.1446 0.2750 0.2750 0.5673 0.5673 0.6069 0.6069 0.9016 0.9016 1.1419 1.1419 1.5184 1.5184 1.9333 1.9333 2.3509 2.3509 2.6131 2.6131 2.7689 2.7689 2.7943 2.7943 2.9882 2.9882 3.1927 3.1927 3.2802 3.2802 3.4169 3.4169 3.5634 3.5634 3.8066 3.8066 3.8867 3.8867 4.0102 4.0102 4.8975 4.8975 5.2490 5.2490 9.3470 9.3470 9.8226 9.8226 9.8526 9.8526 10.0455 10.0455 10.0777 10.0777 10.2374 10.2374 k = 0.5000 0.1443 0.4082 ( 29662 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8704 -14.8704 -7.9552 -7.9552 -7.5359 -7.5359 -7.3536 -7.3536 -7.3444 -7.3444 -7.2381 -7.2381 -7.2282 -7.2282 -3.6584 -3.6584 -3.6547 -3.6547 -2.2719 -2.2719 -2.2593 -2.2593 -2.2143 -2.2143 -2.2109 -2.2109 0.0519 0.0519 0.1430 0.1430 0.2541 0.2541 0.5734 0.5734 0.6093 0.6093 0.9027 0.9027 1.1088 1.1088 1.5282 1.5282 1.9462 1.9462 2.3533 2.3533 2.6271 2.6271 2.7706 2.7706 2.7929 2.7929 2.9735 2.9735 3.2026 3.2026 3.2804 3.2804 3.4326 3.4326 3.5805 3.5805 3.8109 3.8109 3.8883 3.8883 4.0273 4.0273 4.9290 4.9290 5.2516 5.2516 9.3091 9.3091 9.7749 9.7749 9.8059 9.8059 9.9885 9.9885 10.0190 10.0190 10.1681 10.1681 k = 0.5000 0.1588 0.3878 ( 29658 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8704 -14.8704 -14.8704 -14.8704 -7.9577 -7.9577 -7.5397 -7.5397 -7.3471 -7.3471 -7.3379 -7.3379 -7.2395 -7.2395 -7.2305 -7.2305 -3.6601 -3.6601 -3.6558 -3.6558 -2.2773 -2.2773 -2.2629 -2.2629 -2.2145 -2.2145 -2.2110 -2.2110 0.0638 0.0638 0.1411 0.1411 0.2346 0.2346 0.5791 0.5791 0.6116 0.6116 0.9040 0.9040 1.0755 1.0755 1.5379 1.5379 1.9587 1.9587 2.3552 2.3552 2.6413 2.6413 2.7724 2.7724 2.7924 2.7924 2.9594 2.9594 3.2121 3.2121 3.2799 3.2799 3.4494 3.4494 3.5965 3.5965 3.8074 3.8074 3.8955 3.8955 4.0464 4.0464 4.9600 4.9600 5.2555 5.2555 9.2727 9.2727 9.7290 9.7290 9.7626 9.7626 9.9251 9.9251 9.9677 9.9677 10.0982 10.0982 k = 0.5000 0.1732 0.3674 ( 29656 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8704 -14.8704 -7.9602 -7.9602 -7.5433 -7.5433 -7.3404 -7.3404 -7.3315 -7.3315 -7.2411 -7.2411 -7.2330 -7.2330 -3.6618 -3.6618 -3.6569 -3.6569 -2.2824 -2.2824 -2.2664 -2.2664 -2.2148 -2.2148 -2.2111 -2.2111 0.0757 0.0757 0.1386 0.1386 0.2172 0.2172 0.5844 0.5844 0.6140 0.6140 0.9054 0.9054 1.0426 1.0426 1.5471 1.5471 1.9706 1.9706 2.3566 2.3566 2.6555 2.6555 2.7745 2.7745 2.7926 2.7926 2.9458 2.9458 3.2208 3.2208 3.2793 3.2793 3.4668 3.4668 3.6110 3.6110 3.7983 3.7983 3.9066 3.9066 4.0664 4.0664 4.9894 4.9894 5.2610 5.2610 9.2384 9.2384 9.6849 9.6849 9.7233 9.7233 9.8607 9.8607 9.9225 9.9225 10.0309 10.0309 k = 0.5000 0.1876 0.3470 ( 29648 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9625 -7.9625 -7.5466 -7.5466 -7.3338 -7.3338 -7.3252 -7.3252 -7.2428 -7.2428 -7.2358 -7.2358 -3.6634 -3.6634 -3.6579 -3.6579 -2.2873 -2.2873 -2.2697 -2.2697 -2.2151 -2.2151 -2.2112 -2.2112 0.0871 0.0871 0.1354 0.1354 0.2026 0.2026 0.5892 0.5892 0.6163 0.6163 0.9068 0.9068 1.0110 1.0110 1.5556 1.5556 1.9818 1.9818 2.3575 2.3575 2.6692 2.6692 2.7771 2.7771 2.7932 2.7932 2.9329 2.9329 3.2280 3.2280 3.2793 3.2793 3.4845 3.4845 3.6239 3.6239 3.7859 3.7859 3.9192 3.9192 4.0866 4.0866 5.0157 5.0157 5.2686 5.2686 9.2067 9.2067 9.6430 9.6430 9.6885 9.6885 9.7996 9.7996 9.8820 9.8820 9.9683 9.9683 k = 0.5000 0.2021 0.3266 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9646 -7.9646 -7.5495 -7.5495 -7.3274 -7.3274 -7.3192 -7.3192 -7.2447 -7.2447 -7.2389 -7.2389 -3.6648 -3.6648 -3.6588 -3.6588 -2.2918 -2.2918 -2.2726 -2.2726 -2.2154 -2.2154 -2.2113 -2.2113 0.0971 0.0971 0.1317 0.1317 0.1915 0.1915 0.5934 0.5934 0.6187 0.6187 0.9082 0.9082 0.9815 0.9815 1.5633 1.5633 1.9919 1.9919 2.3581 2.3581 2.6822 2.6822 2.7801 2.7801 2.7940 2.7940 2.9207 2.9207 3.2332 3.2332 3.2802 3.2802 3.5022 3.5022 3.6352 3.6352 3.7717 3.7717 3.9320 3.9320 4.1061 4.1061 5.0379 5.0379 5.2783 5.2783 9.1778 9.1778 9.6041 9.6041 9.6581 9.6581 9.7444 9.7444 9.8460 9.8460 9.9123 9.9123 k = 0.5000 0.2165 0.3062 ( 29624 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9664 -7.9664 -7.5520 -7.5520 -7.3213 -7.3213 -7.3135 -7.3135 -7.2467 -7.2467 -7.2420 -7.2420 -3.6661 -3.6661 -3.6597 -3.6597 -2.2957 -2.2957 -2.2753 -2.2753 -2.2157 -2.2157 -2.2114 -2.2114 0.1040 0.1040 0.1286 0.1286 0.1842 0.1842 0.5969 0.5969 0.6209 0.6209 0.9095 0.9095 0.9547 0.9547 1.5699 1.5699 2.0009 2.0009 2.3584 2.3584 2.6940 2.6940 2.7836 2.7836 2.7948 2.7948 2.9094 2.9094 3.2362 3.2362 3.2823 3.2823 3.5196 3.5196 3.6450 3.6450 3.7565 3.7565 3.9439 3.9439 4.1243 4.1243 5.0555 5.0555 5.2897 5.2897 9.1523 9.1523 9.5689 9.5689 9.6320 9.6320 9.6968 9.6968 9.8145 9.8145 9.8639 9.8639 k = 0.5000 0.2309 0.2858 ( 29648 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9680 -7.9680 -7.5541 -7.5541 -7.3158 -7.3158 -7.3083 -7.3083 -7.2487 -7.2487 -7.2452 -7.2452 -3.6673 -3.6673 -3.6604 -3.6604 -2.2990 -2.2990 -2.2775 -2.2775 -2.2159 -2.2159 -2.2114 -2.2114 0.1056 0.1056 0.1287 0.1287 0.1804 0.1804 0.5997 0.5997 0.6230 0.6230 0.9106 0.9106 0.9314 0.9314 1.5755 1.5755 2.0085 2.0085 2.3585 2.3585 2.7042 2.7042 2.7870 2.7870 2.7961 2.7961 2.8989 2.8989 3.2375 3.2375 3.2851 3.2851 3.5362 3.5362 3.6536 3.6536 3.7410 3.7410 3.9543 3.9543 4.1403 4.1403 5.0685 5.0685 5.3017 5.3017 9.1306 9.1306 9.5385 9.5385 9.6098 9.6098 9.6580 9.6580 9.7874 9.7874 9.8244 9.8244 k = 0.5000 0.2454 0.2654 ( 29646 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9693 -7.9693 -7.5558 -7.5558 -7.3111 -7.3111 -7.3036 -7.3036 -7.2505 -7.2505 -7.2483 -7.2483 -3.6682 -3.6682 -3.6610 -3.6610 -2.3017 -2.3017 -2.2793 -2.2793 -2.2161 -2.2161 -2.2115 -2.2115 0.1029 0.1029 0.1314 0.1314 0.1791 0.1791 0.6019 0.6019 0.6247 0.6247 0.9115 0.9115 0.9124 0.9124 1.5798 1.5798 2.0146 2.0146 2.3585 2.3585 2.7126 2.7126 2.7896 2.7896 2.7982 2.7982 2.8898 2.8898 3.2376 3.2376 3.2880 3.2880 3.5513 3.5513 3.6610 3.6610 3.7258 3.7258 3.9628 3.9628 4.1535 4.1535 5.0774 5.0774 5.3132 5.3132 9.1131 9.1131 9.5137 9.5137 9.5913 9.5913 9.6287 9.6287 9.7650 9.7650 9.7943 9.7943 k = 0.5000 0.2598 0.2449 ( 29658 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9702 -7.9702 -7.5569 -7.5569 -7.3074 -7.3074 -7.2999 -7.2999 -7.2522 -7.2522 -7.2508 -7.2508 -3.6688 -3.6688 -3.6614 -3.6614 -2.3037 -2.3037 -2.2806 -2.2806 -2.2163 -2.2163 -2.2115 -2.2115 0.0993 0.0993 0.1342 0.1342 0.1794 0.1794 0.6035 0.6035 0.6261 0.6261 0.8981 0.8981 0.9123 0.9123 1.5830 1.5830 2.0190 2.0190 2.3585 2.3585 2.7188 2.7188 2.7909 2.7909 2.8011 2.8011 2.8824 2.8824 3.2373 3.2373 3.2904 3.2904 3.5639 3.5639 3.6678 3.6678 3.7116 3.7116 3.9691 3.9691 4.1635 4.1635 5.0831 5.0831 5.3226 5.3226 9.1003 9.1003 9.4953 9.4953 9.5766 9.5766 9.6092 9.6092 9.7475 9.7475 9.7737 9.7737 k = 0.5000 0.2742 0.2245 ( 29644 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9707 -7.9707 -7.5577 -7.5577 -7.3051 -7.3051 -7.2973 -7.2973 -7.2535 -7.2535 -7.2524 -7.2524 -3.6692 -3.6692 -3.6617 -3.6617 -2.3049 -2.3049 -2.2814 -2.2814 -2.2164 -2.2164 -2.2115 -2.2115 0.0967 0.0967 0.1358 0.1358 0.1801 0.1801 0.6044 0.6044 0.6269 0.6269 0.8894 0.8894 0.9128 0.9128 1.5849 1.5849 2.0217 2.0217 2.3584 2.3584 2.7226 2.7226 2.7914 2.7914 2.8037 2.8037 2.8774 2.8774 3.2369 3.2369 3.2920 3.2920 3.5726 3.5726 3.6743 3.6743 3.6997 3.6997 3.9730 3.9730 4.1696 4.1696 5.0863 5.0863 5.3287 5.3287 9.0924 9.0924 9.4839 9.4839 9.5669 9.5669 9.5983 9.5983 9.7362 9.7362 9.7620 9.7620 k = 0.5000 0.2887 0.2041 ( 29664 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9709 -7.9709 -7.5579 -7.5579 -7.3043 -7.3043 -7.2964 -7.2964 -7.2541 -7.2541 -7.2529 -7.2529 -3.6693 -3.6693 -3.6618 -3.6618 -2.3053 -2.3053 -2.2817 -2.2817 -2.2164 -2.2164 -2.2116 -2.2116 0.0958 0.0958 0.1364 0.1364 0.1805 0.1805 0.6048 0.6048 0.6272 0.6272 0.8864 0.8864 0.9129 0.9129 1.5855 1.5855 2.0226 2.0226 2.3584 2.3584 2.7239 2.7239 2.7915 2.7915 2.8047 2.8047 2.8756 2.8756 3.2367 3.2367 3.2926 3.2926 3.5757 3.5757 3.6783 3.6783 3.6936 3.6936 3.9742 3.9742 4.1717 4.1717 5.0873 5.0873 5.3309 5.3309 9.0898 9.0898 9.4801 9.4801 9.5635 9.5635 9.5949 9.5949 9.7323 9.7323 9.7582 9.7582 k = 0.5000 0.2887 0.2041 ( 29664 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9709 -7.9709 -7.5579 -7.5579 -7.3043 -7.3043 -7.2964 -7.2964 -7.2541 -7.2541 -7.2529 -7.2529 -3.6693 -3.6693 -3.6618 -3.6618 -2.3053 -2.3053 -2.2817 -2.2817 -2.2164 -2.2164 -2.2116 -2.2116 0.0958 0.0958 0.1364 0.1364 0.1805 0.1805 0.6048 0.6048 0.6272 0.6272 0.8864 0.8864 0.9129 0.9129 1.5855 1.5855 2.0226 2.0226 2.3584 2.3584 2.7239 2.7239 2.7915 2.7915 2.8047 2.8047 2.8756 2.8756 3.2367 3.2367 3.2926 3.2926 3.5757 3.5757 3.6783 3.6783 3.6936 3.6936 3.9742 3.9742 4.1717 4.1717 5.0873 5.0873 5.3309 5.3309 9.0898 9.0898 9.4801 9.4801 9.5635 9.5635 9.5949 9.5949 9.7323 9.7323 9.7582 9.7582 k = 0.4926 0.2844 0.2281 ( 29640 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9707 -7.9707 -7.5576 -7.5576 -7.3051 -7.3051 -7.2973 -7.2973 -7.2535 -7.2535 -7.2524 -7.2524 -3.6692 -3.6692 -3.6617 -3.6617 -2.3048 -2.3048 -2.2814 -2.2814 -2.2164 -2.2164 -2.2115 -2.2115 0.0967 0.0967 0.1358 0.1358 0.1801 0.1801 0.6044 0.6044 0.6269 0.6269 0.8895 0.8895 0.9128 0.9128 1.5848 1.5848 2.0217 2.0217 2.3584 2.3584 2.7226 2.7226 2.7914 2.7914 2.8037 2.8037 2.8775 2.8775 3.2369 3.2369 3.2920 3.2920 3.5724 3.5724 3.6742 3.6742 3.6998 3.6998 3.9729 3.9729 4.1695 4.1695 5.0862 5.0862 5.3287 5.3287 9.0925 9.0925 9.4841 9.4841 9.5670 9.5670 9.5984 9.5984 9.7364 9.7364 9.7621 9.7621 k = 0.4853 0.2802 0.2522 ( 29652 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9702 -7.9702 -7.5569 -7.5569 -7.3075 -7.3075 -7.3000 -7.3000 -7.2522 -7.2522 -7.2507 -7.2507 -3.6688 -3.6688 -3.6614 -3.6614 -2.3036 -2.3036 -2.2806 -2.2806 -2.2163 -2.2163 -2.2115 -2.2115 0.0994 0.0994 0.1341 0.1341 0.1794 0.1794 0.6034 0.6034 0.6260 0.6260 0.8986 0.8986 0.9123 0.9123 1.5829 1.5829 2.0189 2.0189 2.3585 2.3585 2.7186 2.7186 2.7909 2.7909 2.8010 2.8010 2.8826 2.8826 3.2373 3.2373 3.2903 3.2903 3.5635 3.5635 3.6676 3.6676 3.7121 3.7121 3.9689 3.9689 4.1631 4.1631 5.0830 5.0830 5.3223 5.3223 9.1007 9.1007 9.4958 9.4958 9.5771 9.5771 9.6097 9.6097 9.7481 9.7481 9.7743 9.7743 k = 0.4779 0.2759 0.2762 ( 29655 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9692 -7.9692 -7.5557 -7.5557 -7.3114 -7.3114 -7.3038 -7.3038 -7.2508 -7.2508 -7.2478 -7.2478 -3.6681 -3.6681 -3.6610 -3.6610 -2.3016 -2.3016 -2.2792 -2.2792 -2.2161 -2.2161 -2.2115 -2.2115 0.1030 0.1030 0.1315 0.1315 0.1791 0.1791 0.6018 0.6018 0.6246 0.6246 0.9115 0.9115 0.9133 0.9133 1.5796 1.5796 2.0143 2.0143 2.3585 2.3585 2.7122 2.7122 2.7894 2.7894 2.7982 2.7982 2.8903 2.8903 3.2376 3.2376 3.2878 3.2878 3.5505 3.5505 3.6606 3.6606 3.7266 3.7266 3.9624 3.9624 4.1529 4.1529 5.0770 5.0770 5.3126 5.3126 9.1140 9.1140 9.5149 9.5149 9.5924 9.5924 9.6299 9.6299 9.7662 9.7662 9.7958 9.7958 k = 0.4706 0.2717 0.3002 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9679 -7.9679 -7.5540 -7.5540 -7.3165 -7.3165 -7.3083 -7.3083 -7.2494 -7.2494 -7.2442 -7.2442 -3.6672 -3.6672 -3.6604 -3.6604 -2.2988 -2.2988 -2.2774 -2.2774 -2.2159 -2.2159 -2.2114 -2.2114 0.1049 0.1049 0.1297 0.1297 0.1802 0.1802 0.5995 0.5995 0.6229 0.6229 0.9106 0.9106 0.9330 0.9330 1.5751 1.5751 2.0079 2.0079 2.3585 2.3585 2.7035 2.7035 2.7863 2.7863 2.7964 2.7964 2.8997 2.8997 3.2375 3.2375 3.2848 3.2848 3.5351 3.5351 3.6529 3.6529 3.7421 3.7421 3.9536 3.9536 4.1392 4.1392 5.0674 5.0674 5.3010 5.3010 9.1320 9.1320 9.5404 9.5404 9.6120 9.6120 9.6599 9.6599 9.7899 9.7899 9.8273 9.8273 k = 0.4632 0.2674 0.3242 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8705 -14.8705 -7.9663 -7.9663 -7.5518 -7.5518 -7.3226 -7.3226 -7.3131 -7.3131 -7.2484 -7.2484 -7.2401 -7.2401 -3.6660 -3.6660 -3.6596 -3.6596 -2.2954 -2.2954 -2.2750 -2.2750 -2.2156 -2.2156 -2.2114 -2.2114 0.1013 0.1013 0.1322 0.1322 0.1836 0.1836 0.5965 0.5965 0.6208 0.6208 0.9094 0.9094 0.9570 0.9570 1.5694 1.5694 2.0001 2.0001 2.3584 2.3584 2.6931 2.6931 2.7822 2.7822 2.7956 2.7956 2.9104 2.9104 3.2361 3.2361 3.2819 3.2819 3.5182 3.5182 3.6440 3.6440 3.7577 3.7577 3.9429 3.9429 4.1229 4.1229 5.0533 5.0533 5.2892 5.2892 9.1541 9.1541 9.5713 9.5713 9.6358 9.6358 9.6994 9.6994 9.8194 9.8194 9.8684 9.8684 k = 0.4559 0.2632 0.3482 ( 29665 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8704 -14.8704 -7.9643 -7.9643 -7.5492 -7.5492 -7.3294 -7.3294 -7.3180 -7.3180 -7.2477 -7.2477 -7.2358 -7.2358 -3.6647 -3.6647 -3.6587 -3.6587 -2.2913 -2.2913 -2.2723 -2.2723 -2.2154 -2.2154 -2.2113 -2.2113 0.0923 0.0923 0.1384 0.1384 0.1899 0.1899 0.5928 0.5928 0.6186 0.6186 0.9080 0.9080 0.9846 0.9846 1.5626 1.5626 1.9908 1.9908 2.3580 2.3580 2.6811 2.6811 2.7779 2.7779 2.7953 2.7953 2.9222 2.9222 3.2329 3.2329 3.2797 3.2797 3.5009 3.5009 3.6337 3.6337 3.7726 3.7726 3.9308 3.9308 4.1047 4.1047 5.0337 5.0337 5.2789 5.2789 9.1797 9.1797 9.6062 9.6062 9.6640 9.6640 9.7474 9.7474 9.8557 9.8557 9.9184 9.9184 k = 0.4485 0.2590 0.3722 ( 29659 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8704 -14.8704 -7.9622 -7.9622 -7.5462 -7.5462 -7.3367 -7.3367 -7.3230 -7.3230 -7.2477 -7.2477 -7.2314 -7.2314 -3.6632 -3.6632 -3.6578 -3.6578 -2.2867 -2.2867 -2.2693 -2.2693 -2.2151 -2.2151 -2.2111 -2.2111 0.0805 0.0805 0.1456 0.1456 0.1997 0.1997 0.5882 0.5882 0.6164 0.6164 0.9066 0.9066 1.0148 1.0148 1.5549 1.5549 1.9803 1.9803 2.3574 2.3574 2.6680 2.6680 2.7739 2.7739 2.7952 2.7952 2.9349 2.9349 3.2276 3.2276 3.2783 3.2783 3.4835 3.4835 3.6217 3.6217 3.7859 3.7859 3.9182 3.9182 4.0858 4.0858 5.0082 5.0082 5.2713 5.2713 9.2079 9.2079 9.6440 9.6440 9.6963 9.6963 9.8028 9.8028 9.8998 9.8998 9.9764 9.9764 k = 0.4412 0.2547 0.3962 ( 29675 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8704 -14.8704 -7.9598 -7.9598 -7.5428 -7.5428 -7.3442 -7.3442 -7.3279 -7.3279 -7.2482 -7.2482 -7.2269 -7.2269 -3.6616 -3.6616 -3.6567 -3.6567 -2.2817 -2.2817 -2.2660 -2.2660 -2.2149 -2.2149 -2.2109 -2.2109 0.0673 0.0673 0.1524 0.1524 0.2130 0.2130 0.5829 0.5829 0.6144 0.6144 0.9052 0.9052 1.0468 1.0468 1.5464 1.5464 1.9688 1.9688 2.3564 2.3564 2.6541 2.6541 2.7705 2.7705 2.7951 2.7951 2.9484 2.9484 3.2203 3.2203 3.2777 3.2777 3.4666 3.4666 3.6077 3.6077 3.7963 3.7963 3.9063 3.9063 4.0672 4.0672 4.9773 4.9773 5.2671 5.2671 9.2381 9.2381 9.6832 9.6832 9.7323 9.7323 9.8643 9.8643 9.9523 9.9523 10.0412 10.0412 k = 0.4338 0.2505 0.4203 ( 29680 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8705 -14.8705 -14.8703 -14.8703 -7.9574 -7.9574 -7.5391 -7.5391 -7.3518 -7.3518 -7.3328 -7.3328 -7.2493 -7.2493 -7.2224 -7.2224 -3.6599 -3.6599 -3.6556 -3.6556 -2.2765 -2.2765 -2.2625 -2.2625 -2.2147 -2.2147 -2.2106 -2.2106 0.0534 0.0534 0.1585 0.1585 0.2292 0.2292 0.5769 0.5769 0.6126 0.6126 0.9039 0.9039 1.0796 1.0796 1.5377 1.5377 1.9565 1.9565 2.3548 2.3548 2.6398 2.6398 2.7679 2.7679 2.7952 2.7952 2.9626 2.9626 3.2115 3.2115 3.2773 3.2773 3.4505 3.4505 3.5918 3.5918 3.8022 3.8022 3.8963 3.8963 4.0504 4.0504 4.9420 4.9420 5.2662 5.2662 9.2695 9.2695 9.7221 9.7221 9.7717 9.7717 9.9304 9.9304 10.0130 10.0130 10.1120 10.1120 k = 0.4265 0.2462 0.4443 ( 29669 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8703 -14.8703 -7.9548 -7.9548 -7.5351 -7.5351 -7.3590 -7.3590 -7.3376 -7.3376 -7.2511 -7.2511 -7.2180 -7.2180 -3.6581 -3.6581 -3.6545 -3.6545 -2.2711 -2.2711 -2.2589 -2.2589 -2.2147 -2.2147 -2.2101 -2.2101 0.0394 0.0394 0.1641 0.1641 0.2475 0.2475 0.5703 0.5703 0.6110 0.6110 0.9027 0.9027 1.1122 1.1122 1.5290 1.5290 1.9436 1.9436 2.3528 2.3528 2.6254 2.6254 2.7661 2.7661 2.7955 2.7955 2.9775 2.9775 3.2021 3.2021 3.2765 3.2765 3.4354 3.4354 3.5738 3.5738 3.8028 3.8028 3.8888 3.8888 4.0370 4.0370 4.9036 4.9036 5.2683 5.2683 9.3016 9.3016 9.7586 9.7586 9.8148 9.8148 9.9989 9.9989 10.0805 10.0805 10.1877 10.1877 k = 0.4191 0.2420 0.4683 ( 29672 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8702 -14.8702 -7.9523 -7.9523 -7.5309 -7.5309 -7.3659 -7.3659 -7.3423 -7.3423 -7.2535 -7.2535 -7.2137 -7.2137 -3.6564 -3.6564 -3.6534 -3.6534 -2.2658 -2.2658 -2.2554 -2.2554 -2.2147 -2.2147 -2.2096 -2.2096 0.0255 0.0255 0.1696 0.1696 0.2671 0.2671 0.5633 0.5633 0.6098 0.6098 0.9016 0.9016 1.1434 1.1434 1.5211 1.5211 1.9304 1.9304 2.3502 2.3502 2.6112 2.6112 2.7654 2.7654 2.7960 2.7960 2.9929 2.9929 3.1924 3.1924 3.2749 3.2749 3.4217 3.4217 3.5537 3.5537 3.7984 3.7984 3.8828 3.8828 4.0287 4.0287 4.8636 4.8636 5.2728 5.2728 9.3339 9.3339 9.7911 9.7911 9.8609 9.8609 10.0673 10.0673 10.1523 10.1523 10.2672 10.2672 k = 0.4118 0.2377 0.4923 ( 29680 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8706 -14.8706 -14.8701 -14.8701 -7.9499 -7.9499 -7.5266 -7.5266 -7.3721 -7.3721 -7.3469 -7.3469 -7.2564 -7.2564 -7.2095 -7.2095 -3.6548 -3.6548 -3.6524 -3.6524 -2.2606 -2.2606 -2.2522 -2.2522 -2.2148 -2.2148 -2.2089 -2.2089 0.0122 0.0122 0.1749 0.1749 0.2871 0.2871 0.5560 0.5560 0.6090 0.6090 0.9009 0.9009 1.1719 1.1719 1.5147 1.5147 1.9171 1.9171 2.3471 2.3471 2.5974 2.5974 2.7657 2.7657 2.7970 2.7970 3.0086 3.0086 3.1832 3.1832 3.2722 3.2722 3.4094 3.4094 3.5320 3.5320 3.7911 3.7911 3.8759 3.8759 4.0266 4.0266 4.8233 4.8233 5.2794 5.2794 9.3660 9.3660 9.8192 9.8192 9.9080 9.9080 10.1323 10.1323 10.2239 10.2239 10.3493 10.3493 k = 0.4044 0.2335 0.5163 ( 29675 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8707 -14.8707 -14.8700 -14.8700 -7.9478 -7.9478 -7.5221 -7.5221 -7.3775 -7.3775 -7.3512 -7.3512 -7.2600 -7.2600 -7.2055 -7.2055 -3.6533 -3.6533 -3.6514 -3.6514 -2.2558 -2.2558 -2.2492 -2.2492 -2.2149 -2.2149 -2.2081 -2.2081 -0.0003 -0.0003 0.1803 0.1803 0.3068 0.3068 0.5486 0.5486 0.6086 0.6086 0.9004 0.9004 1.1962 1.1962 1.5107 1.5107 1.9041 1.9041 2.3436 2.3436 2.5845 2.5845 2.7671 2.7671 2.7985 2.7985 3.0243 3.0243 3.1750 3.1750 3.2680 3.2680 3.3987 3.3987 3.5092 3.5092 3.7831 3.7831 3.8669 3.8669 4.0305 4.0305 4.7838 4.7838 5.2877 5.2877 9.3975 9.3975 9.8428 9.8428 9.9536 9.9536 10.1901 10.1901 10.2890 10.2890 10.4325 10.4325 k = 0.3971 0.2292 0.5403 ( 29679 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8700 -14.8700 -7.9459 -7.9459 -7.5177 -7.5177 -7.3819 -7.3819 -7.3554 -7.3554 -7.2640 -7.2640 -7.2016 -7.2016 -3.6520 -3.6520 -3.6505 -3.6505 -2.2516 -2.2516 -2.2468 -2.2468 -2.2149 -2.2149 -2.2072 -2.2072 -0.0121 -0.0121 0.1858 0.1858 0.3253 0.3253 0.5413 0.5413 0.6088 0.6088 0.9003 0.9003 1.2152 1.2152 1.5098 1.5098 1.8917 1.8917 2.3400 2.3400 2.5726 2.5726 2.7697 2.7697 2.8008 2.8008 3.0395 3.0395 3.1681 3.1681 3.2624 3.2624 3.3895 3.3895 3.4865 3.4865 3.7756 3.7756 3.8563 3.8563 4.0391 4.0391 4.7463 4.7463 5.2974 5.2974 9.4282 9.4282 9.8613 9.8613 9.9951 9.9951 10.2368 10.2368 10.3403 10.3403 10.5136 10.5136 k = 0.3897 0.2250 0.5643 ( 29681 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8708 -14.8708 -14.8699 -14.8699 -7.9444 -7.9444 -7.5132 -7.5132 -7.3851 -7.3851 -7.3593 -7.3593 -7.2685 -7.2685 -7.1978 -7.1978 -3.6510 -3.6510 -3.6497 -3.6497 -2.2481 -2.2481 -2.2448 -2.2448 -2.2148 -2.2148 -2.2062 -2.2062 -0.0228 -0.0228 0.1913 0.1913 0.3419 0.3419 0.5342 0.5342 0.6097 0.6097 0.9005 0.9005 1.2279 1.2279 1.5120 1.5120 1.8803 1.8803 2.3365 2.3365 2.5619 2.5619 2.7733 2.7733 2.8039 2.8039 3.0535 3.0535 3.1630 3.1630 3.2556 3.2556 3.3812 3.3812 3.4654 3.4654 3.7690 3.7690 3.8454 3.8454 4.0511 4.0511 4.7115 4.7115 5.3082 5.3082 9.4573 9.4573 9.8745 9.8745 10.0304 10.0304 10.2695 10.2695 10.3719 10.3719 10.5233 10.5233 k = 0.3824 0.2208 0.5884 ( 29684 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8709 -14.8709 -14.8698 -14.8698 -7.9434 -7.9434 -7.5088 -7.5088 -7.3870 -7.3870 -7.3630 -7.3630 -7.2734 -7.2734 -7.1943 -7.1943 -3.6503 -3.6503 -3.6489 -3.6489 -2.2462 -2.2462 -2.2430 -2.2430 -2.2146 -2.2146 -2.2052 -2.2052 -0.0324 -0.0324 0.1970 0.1970 0.3559 0.3559 0.5275 0.5275 0.6114 0.6114 0.9010 0.9010 1.2344 1.2344 1.5170 1.5170 1.8703 1.8703 2.3338 2.3338 2.5526 2.5526 2.7779 2.7779 2.8081 2.8081 3.0654 3.0654 3.1598 3.1598 3.2482 3.2482 3.3731 3.3731 3.4481 3.4481 3.7627 3.7627 3.8360 3.8360 4.0651 4.0651 4.6803 4.6803 5.3199 5.3199 9.4839 9.4839 9.8818 9.8818 10.0581 10.0581 10.2863 10.2863 10.3774 10.3774 10.4893 10.4893 k = 0.3750 0.2165 0.6124 ( 29700 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9430 -7.9430 -7.5044 -7.5044 -7.3876 -7.3876 -7.3664 -7.3664 -7.2786 -7.2786 -7.1909 -7.1909 -3.6502 -3.6502 -3.6481 -3.6481 -2.2460 -2.2460 -2.2409 -2.2409 -2.2144 -2.2144 -2.2042 -2.2042 -0.0409 -0.0409 0.2028 0.2028 0.3667 0.3667 0.5211 0.5211 0.6137 0.6137 0.9018 0.9018 1.2356 1.2356 1.5233 1.5233 1.8620 1.8620 2.3322 2.3322 2.5448 2.5448 2.7835 2.7835 2.8135 2.8135 3.0743 3.0743 3.1581 3.1581 3.2409 3.2409 3.3647 3.3647 3.4369 3.4369 3.7555 3.7555 3.8303 3.8303 4.0802 4.0802 4.6530 4.6530 5.3324 5.3324 9.5069 9.5069 9.8831 9.8831 10.0777 10.0777 10.2872 10.2872 10.3480 10.3480 10.4671 10.4671 k = 0.6250-0.0722 0.4082 ( 29700 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8710 -14.8710 -14.8697 -14.8697 -7.9430 -7.9430 -7.5044 -7.5044 -7.3876 -7.3876 -7.3664 -7.3664 -7.2786 -7.2786 -7.1909 -7.1909 -3.6502 -3.6502 -3.6481 -3.6481 -2.2460 -2.2460 -2.2409 -2.2409 -2.2144 -2.2144 -2.2042 -2.2042 -0.0409 -0.0409 0.2028 0.2028 0.3667 0.3667 0.5211 0.5211 0.6137 0.6137 0.9018 0.9018 1.2356 1.2356 1.5233 1.5233 1.8620 1.8620 2.3322 2.3322 2.5448 2.5448 2.7835 2.7835 2.8135 2.8135 3.0743 3.0743 3.1581 3.1581 3.2409 3.2409 3.3647 3.3647 3.4369 3.4369 3.7555 3.7555 3.8303 3.8303 4.0802 4.0802 4.6530 4.6530 5.3324 5.3324 9.5069 9.5069 9.8831 9.8831 10.0777 10.0777 10.2872 10.2872 10.3480 10.3480 10.4671 10.4671 k = 0.6125-0.0938 0.4082 ( 29688 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8712 -14.8712 -14.8695 -14.8695 -7.9431 -7.9431 -7.4964 -7.4964 -7.3874 -7.3874 -7.3717 -7.3717 -7.2880 -7.2880 -7.1855 -7.1855 -3.6502 -3.6502 -3.6470 -3.6470 -2.2470 -2.2470 -2.2380 -2.2380 -2.2141 -2.2141 -2.2025 -2.2025 -0.0539 -0.0539 0.2129 0.2129 0.3814 0.3814 0.5107 0.5107 0.6185 0.6185 0.9036 0.9036 1.2324 1.2324 1.5340 1.5340 1.8501 1.8501 2.3316 2.3316 2.5329 2.5329 2.7945 2.7945 2.8244 2.8244 3.0858 3.0858 3.1547 3.1547 3.2292 3.2292 3.3498 3.3498 3.4263 3.4263 3.7419 3.7419 3.8272 3.8272 4.1057 4.1057 4.6110 4.6110 5.3545 5.3545 9.5394 9.5394 9.8798 9.8798 10.1031 10.1031 10.2645 10.2645 10.2816 10.2816 10.4389 10.4389 k = 0.6000-0.1155 0.4082 ( 29654 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8714 -14.8714 -14.8693 -14.8693 -7.9435 -7.9435 -7.4874 -7.4874 -7.3874 -7.3874 -7.3763 -7.3763 -7.2979 -7.2979 -7.1805 -7.1805 -3.6503 -3.6503 -3.6461 -3.6461 -2.2483 -2.2483 -2.2358 -2.2358 -2.2137 -2.2137 -2.2008 -2.2008 -0.0659 -0.0659 0.2230 0.2230 0.3945 0.3945 0.5003 0.5003 0.6232 0.6232 0.9056 0.9056 1.2269 1.2269 1.5442 1.5442 1.8397 1.8397 2.3320 2.3320 2.5217 2.5217 2.8070 2.8070 2.8365 2.8365 3.0956 3.0956 3.1470 3.1470 3.2200 3.2200 3.3337 3.3337 3.4209 3.4209 3.7285 3.7285 3.8295 3.8295 4.1292 4.1292 4.5703 4.5703 5.3771 5.3771 9.5672 9.5672 9.8757 9.8757 10.1268 10.1268 10.1909 10.1909 10.2705 10.2705 10.4054 10.4054 k = 0.5875-0.1371 0.4082 ( 29662 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8715 -14.8715 -14.8692 -14.8692 -7.9441 -7.9441 -7.4773 -7.4773 -7.3877 -7.3877 -7.3801 -7.3801 -7.3083 -7.3083 -7.1761 -7.1761 -3.6504 -3.6504 -3.6454 -3.6454 -2.2496 -2.2496 -2.2343 -2.2343 -2.2133 -2.2133 -2.1992 -2.1992 -0.0770 -0.0770 0.2329 0.2329 0.4062 0.4062 0.4905 0.4905 0.6277 0.6277 0.9077 0.9077 1.2196 1.2196 1.5535 1.5535 1.8312 1.8312 2.3332 2.3332 2.5110 2.5110 2.8210 2.8210 2.8495 2.8495 3.1031 3.1031 3.1341 3.1341 3.2153 3.2153 3.3162 3.3162 3.4200 3.4200 3.7152 3.7152 3.8372 3.8372 4.1494 4.1494 4.5318 4.5318 5.3993 5.3993 9.5899 9.5899 9.8711 9.8711 10.1185 10.1185 10.1508 10.1508 10.2637 10.2637 10.3698 10.3698 k = 0.5750-0.1588 0.4082 ( 29642 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8716 -14.8716 -14.8690 -14.8690 -7.9450 -7.9450 -7.4665 -7.4665 -7.3888 -7.3888 -7.3825 -7.3825 -7.3191 -7.3191 -7.1721 -7.1721 -3.6506 -3.6506 -3.6448 -3.6448 -2.2510 -2.2510 -2.2333 -2.2333 -2.2129 -2.2129 -2.1975 -2.1975 -0.0869 -0.0869 0.2424 0.2424 0.4164 0.4164 0.4814 0.4814 0.6320 0.6320 0.9098 0.9098 1.2111 1.2111 1.5618 1.5618 1.8247 1.8247 2.3351 2.3351 2.5012 2.5012 2.8361 2.8361 2.8630 2.8630 3.1043 3.1043 3.1205 3.1205 3.2145 3.2145 3.2986 3.2986 3.4221 3.4221 3.7023 3.7023 3.8498 3.8498 4.1653 4.1653 4.4963 4.4963 5.4207 5.4207 9.6077 9.6077 9.8661 9.8661 10.0554 10.0554 10.1712 10.1712 10.2584 10.2584 10.3348 10.3348 k = 0.5625-0.1804 0.4082 ( 29656 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8717 -14.8717 -14.8689 -14.8689 -7.9458 -7.9458 -7.4550 -7.4550 -7.3908 -7.3908 -7.3835 -7.3835 -7.3304 -7.3304 -7.1687 -7.1687 -3.6507 -3.6507 -3.6444 -3.6444 -2.2522 -2.2522 -2.2328 -2.2328 -2.2125 -2.2125 -2.1960 -2.1960 -0.0955 -0.0955 0.2511 0.2511 0.4250 0.4250 0.4734 0.4734 0.6357 0.6357 0.9118 0.9118 1.2022 1.2022 1.5690 1.5690 1.8199 1.8199 2.3375 2.3375 2.4922 2.4922 2.8521 2.8521 2.8768 2.8768 3.0891 3.0891 3.1185 3.1185 3.2158 3.2158 3.2818 3.2818 3.4261 3.4261 3.6904 3.6904 3.8662 3.8662 4.1759 4.1759 4.4649 4.4649 5.4403 5.4403 9.6208 9.6208 9.8607 9.8607 10.0006 10.0006 10.1900 10.1900 10.2544 10.2544 10.3028 10.3028 k = 0.5500-0.2021 0.4082 ( 29648 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8718 -14.8718 -14.8688 -14.8688 -7.9467 -7.9467 -7.4431 -7.4431 -7.3930 -7.3930 -7.3838 -7.3838 -7.3420 -7.3420 -7.1659 -7.1659 -3.6509 -3.6509 -3.6441 -3.6441 -2.2534 -2.2534 -2.2326 -2.2326 -2.2122 -2.2122 -2.1946 -2.1946 -0.1027 -0.1027 0.2587 0.2587 0.4320 0.4320 0.4667 0.4667 0.6390 0.6390 0.9136 0.9136 1.1935 1.1935 1.5750 1.5750 1.8166 1.8166 2.3399 2.3399 2.4844 2.4844 2.8680 2.8680 2.8906 2.8906 3.0677 3.0677 3.1197 3.1197 3.2179 3.2179 3.2670 3.2670 3.4308 3.4308 3.6798 3.6798 3.8851 3.8851 4.1806 4.1806 4.4389 4.4389 5.4576 5.4576 9.6299 9.6299 9.8547 9.8547 9.9561 9.9561 10.2057 10.2057 10.2514 10.2514 10.2757 10.2757 k = 0.5375-0.2237 0.4082 ( 29648 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8719 -14.8719 -14.8688 -14.8688 -7.9474 -7.9474 -7.4308 -7.4308 -7.3949 -7.3949 -7.3838 -7.3838 -7.3540 -7.3540 -7.1637 -7.1637 -3.6510 -3.6510 -3.6439 -3.6439 -2.2543 -2.2543 -2.2325 -2.2325 -2.2120 -2.2120 -2.1934 -2.1934 -0.1084 -0.1084 0.2650 0.2650 0.4374 0.4374 0.4614 0.4614 0.6416 0.6416 0.9151 0.9151 1.1858 1.1858 1.5796 1.5796 1.8146 1.8146 2.3422 2.3422 2.4779 2.4779 2.8828 2.8828 2.9048 2.9048 3.0456 3.0456 3.1197 3.1197 3.2201 3.2201 3.2549 3.2549 3.4355 3.4355 3.6709 3.6709 3.9046 3.9046 4.1798 4.1798 4.4194 4.4194 5.4718 5.4718 9.6357 9.6357 9.8476 9.8476 9.9231 9.9231 10.2172 10.2172 10.2490 10.2490 10.2553 10.2553 k = 0.5250-0.2454 0.4082 ( 29664 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8719 -14.8719 -14.8687 -14.8687 -7.9480 -7.9480 -7.4184 -7.4184 -7.3963 -7.3963 -7.3838 -7.3838 -7.3661 -7.3661 -7.1621 -7.1621 -3.6511 -3.6511 -3.6438 -3.6438 -2.2550 -2.2550 -2.2325 -2.2325 -2.2118 -2.2118 -2.1926 -2.1926 -0.1126 -0.1126 0.2696 0.2696 0.4412 0.4412 0.4577 0.4577 0.6434 0.6434 0.9163 0.9163 1.1798 1.1798 1.5829 1.5829 1.8134 1.8134 2.3442 2.3442 2.4731 2.4731 2.8945 2.8945 2.9195 2.9195 3.0246 3.0246 3.1189 3.1189 3.2219 3.2219 3.2462 3.2462 3.4393 3.4393 3.6642 3.6642 3.9221 3.9221 4.1750 4.1750 4.4063 4.4063 5.4824 5.4824 9.6390 9.6390 9.8395 9.8395 9.9021 9.9021 10.2222 10.2222 10.2428 10.2428 10.2484 10.2484 k = 0.5125-0.2670 0.4082 ( 29672 PWs) bands (ev): -80.6348 -80.6348 -49.4374 -49.4374 -44.9603 -44.9603 -44.9603 -44.9603 -14.8720 -14.8720 -14.8687 -14.8687 -7.9483 -7.9483 -7.4064 -7.4064 -7.3969 -7.3969 -7.3839 -7.3839 -7.3780 -7.3780 -7.1612 -7.1612 -3.6512 -3.6512 -3.6437 -3.6437 -2.2554 -2.2554 -2.2326 -2.2326 -2.2117 -2.2117 -2.1920 -2.1920 -0.1151 -0.1151 0.2725 0.2725 0.4432 0.4432 0.4557 0.4557 0.6446 0.6446 0.9170 0.9170 1.1760 1.1760 1.5849 1.5849 1.8128 1.8128 2.3455 2.3455 2.4700 2.4700 2.9019 2.9019 2.9332 2.9332 3.0071 3.0071 3.1178 3.1178 3.2231 3.2231 3.2409 3.2409 3.4419 3.4419 3.6600 3.6600 3.9348 3.9348 4.1696 4.1696 4.3990 4.3990 5.4890 5.4890 9.6406 9.6406 9.8326 9.8326 9.8914 9.8914 10.2199 10.2199 10.2412 10.2412 10.2474 10.2474 k = 0.5000-0.2887 0.4082 ( 29698 PWs) bands (ev): -80.6348 -80.6348 -49.4375 -49.4375 -44.9603 -44.9603 -44.9603 -44.9603 -14.8720 -14.8720 -14.8687 -14.8687 -7.9485 -7.9485 -7.3999 -7.3999 -7.3949 -7.3949 -7.3875 -7.3875 -7.3831 -7.3831 -7.1608 -7.1608 -3.6512 -3.6512 -3.6437 -3.6437 -2.2556 -2.2556 -2.2326 -2.2326 -2.2116 -2.2116 -2.1918 -2.1918 -0.1159 -0.1159 0.2735 0.2735 0.4439 0.4439 0.4550 0.4550 0.6450 0.6450 0.9173 0.9173 1.1747 1.1747 1.5855 1.5855 1.8126 1.8126 2.3459 2.3459 2.4690 2.4690 2.9044 2.9044 2.9398 2.9398 2.9993 2.9993 3.1173 3.1173 3.2235 3.2235 3.2392 3.2392 3.4428 3.4428 3.6586 3.6586 3.9394 3.9394 4.1673 4.1673 4.3967 4.3967 5.4912 5.4912 9.6411 9.6411 9.8299 9.8299 9.8882 9.8882 10.2180 10.2180 10.2418 10.2418 10.2471 10.2471 Writing output data file Cs2PdI6.save init_run : 1.42s CPU 1.71s WALL ( 1 calls) electrons : 990.80s CPU 1003.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.17s WALL ( 1 calls) Called by electrons: c_bands : 990.80s CPU 1003.46s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.39s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.34s WALL ( 191 calls) cegterg : 927.40s CPU 938.74s WALL ( 457 calls) Called by sum_band: Called by *egterg: h_psi : 648.64s CPU 653.84s WALL ( 7682 calls) s_psi : 30.82s CPU 30.76s WALL ( 7682 calls) g_psi : 1.00s CPU 1.06s WALL ( 7034 calls) cdiaghg : 185.44s CPU 185.94s WALL ( 7225 calls) cegterg:over : 42.74s CPU 42.71s WALL ( 7034 calls) cegterg:upda : 39.64s CPU 39.51s WALL ( 7034 calls) cegterg:last : 20.37s CPU 20.29s WALL ( 976 calls) cdiaghg:chol : 7.89s CPU 7.83s WALL ( 7225 calls) cdiaghg:inve : 5.73s CPU 5.81s WALL ( 7225 calls) cdiaghg:para : 11.90s CPU 12.04s WALL ( 14450 calls) Called by h_psi: h_psi:vloc : 565.08s CPU 570.00s WALL ( 7682 calls) h_psi:vnl : 82.18s CPU 82.43s WALL ( 7682 calls) add_vuspsi : 43.31s CPU 43.69s WALL ( 7682 calls) General routines calbec : 38.83s CPU 38.71s WALL ( 7682 calls) fft : 0.05s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 537.10s CPU 541.53s WALL ( 1015504 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.42s WALL ( 382 calls) Parallel routines fft_scatter : 244.15s CPU 246.12s WALL ( 1015527 calls) PWSCF : 18m 0.29s CPU 18m44.47s WALL This run was terminated on: 15: 5:38 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=