Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8: 1:12 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: ./Cs2TiCl6.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 57 15 2413 2413 337 Max 58 58 16 2419 2419 340 Sum 4105 4105 1111 173919 173919 24357 bravais-lattice index = 14 lattice parameter (alat) = 13.6550 a.u. unit-cell volume = 1800.3698 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.655017 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 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 Cl 7.00 35.45300 Cl( 1.00) Ti 12.00 47.86700 Ti( 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= 210 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0161290 -0.0093121 0.0131693), wk = 0.0047619 k( 3) = ( 0.0322581 -0.0186242 0.0263386), wk = 0.0047619 k( 4) = ( 0.0483871 -0.0279363 0.0395079), wk = 0.0047619 k( 5) = ( 0.0645161 -0.0372484 0.0526772), wk = 0.0047619 k( 6) = ( 0.0806452 -0.0465605 0.0658465), wk = 0.0047619 k( 7) = ( 0.0967742 -0.0558726 0.0790158), wk = 0.0047619 k( 8) = ( 0.1129032 -0.0651847 0.0921851), wk = 0.0047619 k( 9) = ( 0.1290323 -0.0744968 0.1053544), wk = 0.0047619 k( 10) = ( 0.1451613 -0.0838089 0.1185237), wk = 0.0047619 k( 11) = ( 0.1612903 -0.0931210 0.1316930), wk = 0.0047619 k( 12) = ( 0.1774194 -0.1024331 0.1448623), wk = 0.0047619 k( 13) = ( 0.1935484 -0.1117452 0.1580316), wk = 0.0047619 k( 14) = ( 0.2096774 -0.1210573 0.1712009), wk = 0.0047619 k( 15) = ( 0.2258064 -0.1303694 0.1843702), wk = 0.0047619 k( 16) = ( 0.2419355 -0.1396815 0.1975395), wk = 0.0047619 k( 17) = ( 0.2580645 -0.1489936 0.2107088), wk = 0.0047619 k( 18) = ( 0.2741936 -0.1583057 0.2238781), wk = 0.0047619 k( 19) = ( 0.2903226 -0.1676178 0.2370474), wk = 0.0047619 k( 20) = ( 0.3064516 -0.1769299 0.2502167), wk = 0.0047619 k( 21) = ( 0.3225807 -0.1862420 0.2633860), wk = 0.0047619 k( 22) = ( 0.3387097 -0.1955541 0.2765553), wk = 0.0047619 k( 23) = ( 0.3548387 -0.2048662 0.2897246), wk = 0.0047619 k( 24) = ( 0.3709677 -0.2141783 0.3028939), wk = 0.0047619 k( 25) = ( 0.3870968 -0.2234904 0.3160632), wk = 0.0047619 k( 26) = ( 0.4032258 -0.2328025 0.3292325), wk = 0.0047619 k( 27) = ( 0.4193548 -0.2421146 0.3424018), wk = 0.0047619 k( 28) = ( 0.4354839 -0.2514267 0.3555711), wk = 0.0047619 k( 29) = ( 0.4516129 -0.2607388 0.3687404), wk = 0.0047619 k( 30) = ( 0.4677419 -0.2700509 0.3819097), wk = 0.0047619 k( 31) = ( 0.4838710 -0.2793630 0.3950790), wk = 0.0047619 k( 32) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 k( 33) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 k( 34) = ( 0.5000000 -0.2706329 0.4210060), wk = 0.0047619 k( 35) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0047619 k( 36) = ( 0.5000000 -0.2345485 0.4465216), wk = 0.0047619 k( 37) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0047619 k( 38) = ( 0.5000000 -0.1984642 0.4720371), wk = 0.0047619 k( 39) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0047619 k( 40) = ( 0.5000000 -0.1623798 0.4975526), wk = 0.0047619 k( 41) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0047619 k( 42) = ( 0.5000000 -0.1262954 0.5230681), wk = 0.0047619 k( 43) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0047619 k( 44) = ( 0.5000000 -0.0902110 0.5485836), wk = 0.0047619 k( 45) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0047619 k( 46) = ( 0.5000000 -0.0541266 0.5740992), wk = 0.0047619 k( 47) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0047619 k( 48) = ( 0.5000000 -0.0180422 0.5996147), wk = 0.0047619 k( 49) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 50) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 51) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0047619 k( 52) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0047619 k( 53) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0047619 k( 54) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0047619 k( 55) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0047619 k( 56) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0047619 k( 57) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0047619 k( 58) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0047619 k( 59) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0047619 k( 60) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0047619 k( 61) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 62) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 63) = ( 0.3636364 0.2099456 0.5938157), wk = 0.0047619 k( 64) = ( 0.3522727 0.2033848 0.5752589), wk = 0.0047619 k( 65) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0047619 k( 66) = ( 0.3295455 0.1902632 0.5381455), wk = 0.0047619 k( 67) = ( 0.3181818 0.1837024 0.5195887), wk = 0.0047619 k( 68) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0047619 k( 69) = ( 0.2954545 0.1705808 0.4824752), wk = 0.0047619 k( 70) = ( 0.2840909 0.1640200 0.4639185), wk = 0.0047619 k( 71) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0047619 k( 72) = ( 0.2613636 0.1508984 0.4268050), wk = 0.0047619 k( 73) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0047619 k( 74) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0047619 k( 75) = ( 0.2272727 0.1312160 0.3711348), wk = 0.0047619 k( 76) = ( 0.2159091 0.1246552 0.3525781), wk = 0.0047619 k( 77) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0047619 k( 78) = ( 0.1931818 0.1115336 0.3154646), wk = 0.0047619 k( 79) = ( 0.1818182 0.1049728 0.2969078), wk = 0.0047619 k( 80) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0047619 k( 81) = ( 0.1590909 0.0918512 0.2597944), wk = 0.0047619 k( 82) = ( 0.1477273 0.0852904 0.2412376), wk = 0.0047619 k( 83) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0047619 k( 84) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0047619 k( 85) = ( 0.1136364 0.0656080 0.1855674), wk = 0.0047619 k( 86) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0047619 k( 87) = ( 0.0909091 0.0524864 0.1484539), wk = 0.0047619 k( 88) = ( 0.0795455 0.0459256 0.1298972), wk = 0.0047619 k( 89) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0047619 k( 90) = ( 0.0568182 0.0328040 0.0927837), wk = 0.0047619 k( 91) = ( 0.0454546 0.0262432 0.0742270), wk = 0.0047619 k( 92) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0047619 k( 93) = ( 0.0227273 0.0131216 0.0371135), wk = 0.0047619 k( 94) = ( 0.0113636 0.0065608 0.0185567), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0106917 0.0075602), wk = 0.0047619 k( 98) = ( 0.0370370 0.0213833 0.0151203), wk = 0.0047619 k( 99) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0047619 k( 100) = ( 0.0740741 0.0427667 0.0302406), wk = 0.0047619 k( 101) = ( 0.0925926 0.0534584 0.0378008), wk = 0.0047619 k( 102) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0047619 k( 103) = ( 0.1296296 0.0748417 0.0529211), wk = 0.0047619 k( 104) = ( 0.1481482 0.0855334 0.0604812), wk = 0.0047619 k( 105) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0047619 k( 106) = ( 0.1851852 0.1069167 0.0756015), wk = 0.0047619 k( 107) = ( 0.2037037 0.1176084 0.0831617), wk = 0.0047619 k( 108) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0047619 k( 109) = ( 0.2407407 0.1389917 0.0982820), wk = 0.0047619 k( 110) = ( 0.2592593 0.1496834 0.1058421), wk = 0.0047619 k( 111) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0047619 k( 112) = ( 0.2962963 0.1710667 0.1209625), wk = 0.0047619 k( 113) = ( 0.3148148 0.1817584 0.1285226), wk = 0.0047619 k( 114) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0047619 k( 115) = ( 0.3518519 0.2031418 0.1436429), wk = 0.0047619 k( 116) = ( 0.3703704 0.2138334 0.1512031), wk = 0.0047619 k( 117) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0047619 k( 118) = ( 0.4074074 0.2352168 0.1663234), wk = 0.0047619 k( 119) = ( 0.4259259 0.2459085 0.1738835), wk = 0.0047619 k( 120) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0047619 k( 121) = ( 0.4629630 0.2672918 0.1890038), wk = 0.0047619 k( 122) = ( 0.4814815 0.2779835 0.1965640), wk = 0.0047619 k( 123) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 124) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 125) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0047619 k( 126) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0047619 k( 127) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0047619 k( 128) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0047619 k( 129) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0047619 k( 130) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0047619 k( 131) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0047619 k( 132) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0047619 k( 133) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0047619 k( 134) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0047619 k( 135) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0047619 k( 136) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0047619 k( 137) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0047619 k( 138) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0047619 k( 139) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0047619 k( 140) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0047619 k( 141) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0047619 k( 142) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0047619 k( 143) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 144) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 145) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0047619 k( 146) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0047619 k( 147) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0047619 k( 148) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0047619 k( 149) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0047619 k( 150) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0047619 k( 151) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0047619 k( 152) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0047619 k( 153) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0047619 k( 154) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0047619 k( 155) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 156) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0047619 k( 157) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0047619 k( 158) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0047619 k( 159) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0047619 k( 160) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0047619 k( 161) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0047619 k( 162) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0047619 k( 163) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0047619 k( 164) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0047619 k( 165) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0047619 k( 166) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0047619 k( 167) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0047619 k( 168) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0047619 k( 169) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0047619 k( 170) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0047619 k( 171) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0047619 k( 172) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0047619 k( 173) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0047619 k( 174) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0047619 k( 175) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0047619 k( 176) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0047619 k( 177) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0047619 k( 178) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 179) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0047619 k( 180) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0047619 k( 181) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0047619 k( 182) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0047619 k( 183) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0047619 k( 184) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0047619 k( 185) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0047619 k( 186) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0047619 k( 187) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0047619 k( 188) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0047619 k( 189) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0047619 k( 190) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0047619 k( 191) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0047619 k( 192) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0047619 k( 193) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0047619 k( 194) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0047619 k( 195) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0047619 k( 196) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0047619 k( 197) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0047619 k( 198) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0047619 k( 199) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0047619 k( 200) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0047619 k( 201) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0047619 k( 202) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0047619 k( 203) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0047619 k( 204) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0047619 k( 205) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0047619 k( 206) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0047619 k( 207) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0047619 k( 208) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0047619 k( 209) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0047619 k( 210) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0047619 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 2) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0047619 k( 3) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0047619 k( 4) = ( 0.0483871 0.0000000 0.0483871), wk = 0.0047619 k( 5) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0047619 k( 6) = ( 0.0806452 -0.0000000 0.0806452), wk = 0.0047619 k( 7) = ( 0.0967742 0.0000000 0.0967742), wk = 0.0047619 k( 8) = ( 0.1129032 0.0000000 0.1129032), wk = 0.0047619 k( 9) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0047619 k( 10) = ( 0.1451613 0.0000000 0.1451613), wk = 0.0047619 k( 11) = ( 0.1612903 -0.0000000 0.1612903), wk = 0.0047619 k( 12) = ( 0.1774194 0.0000000 0.1774194), wk = 0.0047619 k( 13) = ( 0.1935484 0.0000000 0.1935484), wk = 0.0047619 k( 14) = ( 0.2096774 0.0000000 0.2096774), wk = 0.0047619 k( 15) = ( 0.2258064 -0.0000000 0.2258064), wk = 0.0047619 k( 16) = ( 0.2419355 -0.0000000 0.2419355), wk = 0.0047619 k( 17) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0047619 k( 18) = ( 0.2741936 0.0000000 0.2741936), wk = 0.0047619 k( 19) = ( 0.2903226 0.0000000 0.2903226), wk = 0.0047619 k( 20) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0047619 k( 21) = ( 0.3225807 0.0000000 0.3225807), wk = 0.0047619 k( 22) = ( 0.3387097 0.0000000 0.3387097), wk = 0.0047619 k( 23) = ( 0.3548387 -0.0000000 0.3548387), wk = 0.0047619 k( 24) = ( 0.3709677 -0.0000000 0.3709677), wk = 0.0047619 k( 25) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0047619 k( 26) = ( 0.4032258 0.0000000 0.4032258), wk = 0.0047619 k( 27) = ( 0.4193548 0.0000000 0.4193548), wk = 0.0047619 k( 28) = ( 0.4354839 -0.0000000 0.4354839), wk = 0.0047619 k( 29) = ( 0.4516129 -0.0000000 0.4516129), wk = 0.0047619 k( 30) = ( 0.4677419 0.0000000 0.4677419), wk = 0.0047619 k( 31) = ( 0.4838710 0.0000000 0.4838710), wk = 0.0047619 k( 32) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 33) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 k( 34) = ( 0.5000000 0.0156250 0.5156250), wk = 0.0047619 k( 35) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0047619 k( 36) = ( 0.5000000 0.0468750 0.5468750), wk = 0.0047619 k( 37) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0047619 k( 38) = ( 0.5000000 0.0781250 0.5781250), wk = 0.0047619 k( 39) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0047619 k( 40) = ( 0.5000000 0.1093750 0.6093750), wk = 0.0047619 k( 41) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0047619 k( 42) = ( 0.5000000 0.1406250 0.6406250), wk = 0.0047619 k( 43) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0047619 k( 44) = ( 0.5000000 0.1718750 0.6718750), wk = 0.0047619 k( 45) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0047619 k( 46) = ( 0.5000000 0.2031250 0.7031250), wk = 0.0047619 k( 47) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0047619 k( 48) = ( 0.5000000 0.2343750 0.7343750), wk = 0.0047619 k( 49) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 50) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 51) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0047619 k( 52) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0047619 k( 53) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0047619 k( 54) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0047619 k( 55) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0047619 k( 56) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0047619 k( 57) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0047619 k( 58) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0047619 k( 59) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0047619 k( 60) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0047619 k( 61) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 62) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 63) = ( 0.3636364 0.3636364 0.7272727), wk = 0.0047619 k( 64) = ( 0.3522727 0.3522727 0.7045454), wk = 0.0047619 k( 65) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0047619 k( 66) = ( 0.3295455 0.3295455 0.6590909), wk = 0.0047619 k( 67) = ( 0.3181818 0.3181818 0.6363636), wk = 0.0047619 k( 68) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0047619 k( 69) = ( 0.2954545 0.2954545 0.5909091), wk = 0.0047619 k( 70) = ( 0.2840909 0.2840909 0.5681818), wk = 0.0047619 k( 71) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0047619 k( 72) = ( 0.2613636 0.2613636 0.5227273), wk = 0.0047619 k( 73) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0047619 k( 74) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0047619 k( 75) = ( 0.2272727 0.2272727 0.4545455), wk = 0.0047619 k( 76) = ( 0.2159091 0.2159091 0.4318182), wk = 0.0047619 k( 77) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0047619 k( 78) = ( 0.1931818 0.1931818 0.3863636), wk = 0.0047619 k( 79) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0047619 k( 80) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0047619 k( 81) = ( 0.1590909 0.1590909 0.3181818), wk = 0.0047619 k( 82) = ( 0.1477273 0.1477273 0.2954545), wk = 0.0047619 k( 83) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0047619 k( 84) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0047619 k( 85) = ( 0.1136364 0.1136364 0.2272727), wk = 0.0047619 k( 86) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0047619 k( 87) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0047619 k( 88) = ( 0.0795455 0.0795455 0.1590909), wk = 0.0047619 k( 89) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0047619 k( 90) = ( 0.0568182 0.0568182 0.1136364), wk = 0.0047619 k( 91) = ( 0.0454546 0.0454546 0.0909091), wk = 0.0047619 k( 92) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0047619 k( 93) = ( 0.0227273 0.0227273 0.0454546), wk = 0.0047619 k( 94) = ( 0.0113636 0.0113636 0.0227273), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0047619 k( 98) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0047619 k( 99) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0047619 k( 100) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0047619 k( 101) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0047619 k( 102) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0047619 k( 103) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0047619 k( 104) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0047619 k( 105) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0047619 k( 106) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0047619 k( 107) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0047619 k( 108) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0047619 k( 109) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0047619 k( 110) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0047619 k( 111) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0047619 k( 112) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0047619 k( 113) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0047619 k( 114) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 115) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0047619 k( 116) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0047619 k( 117) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0047619 k( 118) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0047619 k( 119) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0047619 k( 120) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0047619 k( 121) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0047619 k( 122) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0047619 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 125) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0047619 k( 126) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0047619 k( 127) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0047619 k( 128) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0047619 k( 129) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0047619 k( 130) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0047619 k( 131) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0047619 k( 132) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0047619 k( 133) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0047619 k( 134) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0047619 k( 135) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0047619 k( 136) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0047619 k( 137) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0047619 k( 138) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0047619 k( 139) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0047619 k( 140) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0047619 k( 141) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0047619 k( 142) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0047619 k( 143) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 144) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 145) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0047619 k( 146) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0047619 k( 147) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0047619 k( 148) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0047619 k( 149) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0047619 k( 150) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0047619 k( 151) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0047619 k( 152) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0047619 k( 153) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0047619 k( 154) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0047619 k( 155) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 156) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0047619 k( 157) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0047619 k( 158) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0047619 k( 159) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0047619 k( 160) = ( 0.5000000 0.2954545 0.7045455), wk = 0.0047619 k( 161) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0047619 k( 162) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0047619 k( 163) = ( 0.5000000 0.3295455 0.6704545), wk = 0.0047619 k( 164) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0047619 k( 165) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0047619 k( 166) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0047619 k( 167) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0047619 k( 168) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0047619 k( 169) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0047619 k( 170) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0047619 k( 171) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0047619 k( 172) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0047619 k( 173) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0047619 k( 174) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0047619 k( 175) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0047619 k( 176) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0047619 k( 177) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0047619 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 180) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0047619 k( 181) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0047619 k( 182) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0047619 k( 183) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0047619 k( 184) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0047619 k( 185) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0047619 k( 186) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0047619 k( 187) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0047619 k( 188) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0047619 k( 189) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0047619 k( 190) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0047619 k( 191) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0047619 k( 192) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0047619 k( 193) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0047619 k( 194) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0047619 k( 195) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0047619 k( 196) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0047619 k( 197) = ( 0.3815789 0.3815789 0.7368421), wk = 0.0047619 k( 198) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0047619 k( 199) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0047619 k( 200) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0047619 k( 201) = ( 0.6022727 0.2045455 0.6022727), wk = 0.0047619 k( 202) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0047619 k( 203) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0047619 k( 204) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0047619 k( 205) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0047619 k( 206) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0047619 k( 207) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0047619 k( 208) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0047619 k( 209) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0047619 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 Dense grid: 173919 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.81 Mb ( 618, 86) NL pseudopotentials 1.71 Mb ( 309, 362) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2417) G-vector shells 0.01 Mb ( 827) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.24 Mb ( 618, 344) Each subspace H/S matrix 0.05 Mb ( 57, 57) Each matrix 0.95 Mb ( 362, 2, 86) The potential is recalculated from file : ./Cs2TiCl6.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs + 18 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 10.3 secs Computing kpt #: 3 total cpu time spent up to now is 14.8 secs Computing kpt #: 4 total cpu time spent up to now is 19.0 secs Computing kpt #: 5 total cpu time spent up to now is 23.3 secs Computing kpt #: 6 total cpu time spent up to now is 27.6 secs Computing kpt #: 7 total cpu time spent up to now is 31.9 secs Computing kpt #: 8 total cpu time spent up to now is 36.2 secs Computing kpt #: 9 total cpu time spent up to now is 39.8 secs Computing kpt #: 10 total cpu time spent up to now is 43.3 secs Computing kpt #: 11 total cpu time spent up to now is 46.8 secs Computing kpt #: 12 total cpu time spent up to now is 50.3 secs Computing kpt #: 13 total cpu time spent up to now is 53.9 secs Computing kpt #: 14 total cpu time spent up to now is 57.4 secs Computing kpt #: 15 total cpu time spent up to now is 61.0 secs Computing kpt #: 16 total cpu time spent up to now is 64.7 secs Computing kpt #: 17 total cpu time spent up to now is 68.2 secs Computing kpt #: 18 total cpu time spent up to now is 71.7 secs Computing kpt #: 19 total cpu time spent up to now is 75.2 secs Computing kpt #: 20 total cpu time spent up to now is 78.6 secs Computing kpt #: 21 total cpu time spent up to now is 82.0 secs Computing kpt #: 22 total cpu time spent up to now is 85.5 secs Computing kpt #: 23 total cpu time spent up to now is 88.9 secs Computing kpt #: 24 total cpu time spent up to now is 92.4 secs Computing kpt #: 25 total cpu time spent up to now is 95.9 secs Computing kpt #: 26 total cpu time spent up to now is 99.3 secs Computing kpt #: 27 total cpu time spent up to now is 102.8 secs Computing kpt #: 28 total cpu time spent up to now is 106.3 secs Computing kpt #: 29 total cpu time spent up to now is 109.8 secs Computing kpt #: 30 total cpu time spent up to now is 113.2 secs Computing kpt #: 31 total cpu time spent up to now is 116.5 secs Computing kpt #: 32 total cpu time spent up to now is 119.9 secs Computing kpt #: 33 total cpu time spent up to now is 123.2 secs Computing kpt #: 34 total cpu time spent up to now is 126.6 secs Computing kpt #: 35 total cpu time spent up to now is 129.9 secs Computing kpt #: 36 total cpu time spent up to now is 133.3 secs Computing kpt #: 37 total cpu time spent up to now is 136.6 secs Computing kpt #: 38 total cpu time spent up to now is 140.0 secs Computing kpt #: 39 total cpu time spent up to now is 143.4 secs Computing kpt #: 40 total cpu time spent up to now is 146.8 secs Computing kpt #: 41 total cpu time spent up to now is 150.3 secs Computing kpt #: 42 total cpu time spent up to now is 153.8 secs Computing kpt #: 43 total cpu time spent up to now is 157.4 secs Computing kpt #: 44 total cpu time spent up to now is 161.5 secs Computing kpt #: 45 total cpu time spent up to now is 167.6 secs Computing kpt #: 46 total cpu time spent up to now is 172.9 secs Computing kpt #: 47 total cpu time spent up to now is 177.3 secs Computing kpt #: 48 total cpu time spent up to now is 181.0 secs Computing kpt #: 49 total cpu time spent up to now is 184.7 secs Computing kpt #: 50 total cpu time spent up to now is 188.4 secs Computing kpt #: 51 total cpu time spent up to now is 192.6 secs Computing kpt #: 52 total cpu time spent up to now is 196.9 secs Computing kpt #: 53 total cpu time spent up to now is 202.2 secs Computing kpt #: 54 total cpu time spent up to now is 208.2 secs Computing kpt #: 55 total cpu time spent up to now is 214.3 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.4 secs Computing kpt #: 57 total cpu time spent up to now is 225.8 secs Computing kpt #: 58 total cpu time spent up to now is 230.2 secs Computing kpt #: 59 total cpu time spent up to now is 234.7 secs Computing kpt #: 60 total cpu time spent up to now is 239.1 secs Computing kpt #: 61 total cpu time spent up to now is 243.4 secs Computing kpt #: 62 total cpu time spent up to now is 247.8 secs Computing kpt #: 63 total cpu time spent up to now is 252.4 secs Computing kpt #: 64 total cpu time spent up to now is 257.1 secs Computing kpt #: 65 total cpu time spent up to now is 261.6 secs Computing kpt #: 66 total cpu time spent up to now is 266.2 secs Computing kpt #: 67 total cpu time spent up to now is 270.0 secs Computing kpt #: 68 total cpu time spent up to now is 273.8 secs Computing kpt #: 69 total cpu time spent up to now is 278.1 secs Computing kpt #: 70 total cpu time spent up to now is 284.1 secs Computing kpt #: 71 total cpu time spent up to now is 290.2 secs Computing kpt #: 72 total cpu time spent up to now is 296.1 secs Computing kpt #: 73 total cpu time spent up to now is 301.1 secs Computing kpt #: 74 total cpu time spent up to now is 306.2 secs Computing kpt #: 75 total cpu time spent up to now is 310.0 secs Computing kpt #: 76 total cpu time spent up to now is 314.3 secs Computing kpt #: 77 total cpu time spent up to now is 318.5 secs Computing kpt #: 78 total cpu time spent up to now is 322.3 secs Computing kpt #: 79 total cpu time spent up to now is 326.1 secs Computing kpt #: 80 total cpu time spent up to now is 329.9 secs Computing kpt #: 81 total cpu time spent up to now is 333.5 secs Computing kpt #: 82 total cpu time spent up to now is 337.3 secs Computing kpt #: 83 total cpu time spent up to now is 340.9 secs Computing kpt #: 84 total cpu time spent up to now is 344.6 secs Computing kpt #: 85 total cpu time spent up to now is 348.2 secs Computing kpt #: 86 total cpu time spent up to now is 351.8 secs Computing kpt #: 87 total cpu time spent up to now is 356.0 secs Computing kpt #: 88 total cpu time spent up to now is 361.7 secs Computing kpt #: 89 total cpu time spent up to now is 366.0 secs Computing kpt #: 90 total cpu time spent up to now is 370.2 secs Computing kpt #: 91 total cpu time spent up to now is 374.4 secs Computing kpt #: 92 total cpu time spent up to now is 378.9 secs Computing kpt #: 93 total cpu time spent up to now is 383.2 secs Computing kpt #: 94 total cpu time spent up to now is 387.4 secs Computing kpt #: 95 total cpu time spent up to now is 391.5 secs Computing kpt #: 96 total cpu time spent up to now is 395.7 secs Computing kpt #: 97 total cpu time spent up to now is 399.9 secs Computing kpt #: 98 total cpu time spent up to now is 403.6 secs Computing kpt #: 99 total cpu time spent up to now is 407.4 secs Computing kpt #: 100 total cpu time spent up to now is 411.1 secs Computing kpt #: 101 total cpu time spent up to now is 415.6 secs Computing kpt #: 102 total cpu time spent up to now is 419.3 secs Computing kpt #: 103 total cpu time spent up to now is 422.9 secs Computing kpt #: 104 total cpu time spent up to now is 426.4 secs Computing kpt #: 105 total cpu time spent up to now is 430.0 secs Computing kpt #: 106 total cpu time spent up to now is 433.7 secs Computing kpt #: 107 total cpu time spent up to now is 437.4 secs Computing kpt #: 108 total cpu time spent up to now is 441.2 secs Computing kpt #: 109 total cpu time spent up to now is 444.9 secs Computing kpt #: 110 total cpu time spent up to now is 448.8 secs Computing kpt #: 111 total cpu time spent up to now is 452.6 secs Computing kpt #: 112 total cpu time spent up to now is 456.8 secs Computing kpt #: 113 total cpu time spent up to now is 461.3 secs Computing kpt #: 114 total cpu time spent up to now is 466.0 secs Computing kpt #: 115 total cpu time spent up to now is 470.2 secs Computing kpt #: 116 total cpu time spent up to now is 474.8 secs Computing kpt #: 117 total cpu time spent up to now is 479.2 secs Computing kpt #: 118 total cpu time spent up to now is 483.9 secs Computing kpt #: 119 total cpu time spent up to now is 489.2 secs Computing kpt #: 120 total cpu time spent up to now is 494.4 secs Computing kpt #: 121 total cpu time spent up to now is 499.6 secs Computing kpt #: 122 total cpu time spent up to now is 505.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 512.5 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 519.6 secs Computing kpt #: 125 total cpu time spent up to now is 525.6 secs Computing kpt #: 126 total cpu time spent up to now is 531.8 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.0 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 546.3 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 553.6 secs Computing kpt #: 130 total cpu time spent up to now is 560.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 567.8 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.9 secs Computing kpt #: 133 total cpu time spent up to now is 581.8 secs Computing kpt #: 134 total cpu time spent up to now is 588.1 secs Computing kpt #: 135 total cpu time spent up to now is 594.2 secs Computing kpt #: 136 total cpu time spent up to now is 600.5 secs Computing kpt #: 137 total cpu time spent up to now is 606.8 secs Computing kpt #: 138 total cpu time spent up to now is 612.0 secs Computing kpt #: 139 total cpu time spent up to now is 616.7 secs Computing kpt #: 140 total cpu time spent up to now is 622.6 secs Computing kpt #: 141 total cpu time spent up to now is 627.3 secs Computing kpt #: 142 total cpu time spent up to now is 631.8 secs Computing kpt #: 143 total cpu time spent up to now is 636.2 secs Computing kpt #: 144 total cpu time spent up to now is 640.5 secs Computing kpt #: 145 total cpu time spent up to now is 644.8 secs Computing kpt #: 146 total cpu time spent up to now is 649.7 secs Computing kpt #: 147 total cpu time spent up to now is 654.2 secs Computing kpt #: 148 total cpu time spent up to now is 660.3 secs Computing kpt #: 149 total cpu time spent up to now is 666.4 secs Computing kpt #: 150 total cpu time spent up to now is 671.6 secs Computing kpt #: 151 total cpu time spent up to now is 677.5 secs Computing kpt #: 152 total cpu time spent up to now is 682.9 secs Computing kpt #: 153 total cpu time spent up to now is 687.7 secs Computing kpt #: 154 total cpu time spent up to now is 691.5 secs Computing kpt #: 155 total cpu time spent up to now is 695.2 secs Computing kpt #: 156 total cpu time spent up to now is 698.9 secs Computing kpt #: 157 total cpu time spent up to now is 702.7 secs Computing kpt #: 158 total cpu time spent up to now is 706.9 secs Computing kpt #: 159 total cpu time spent up to now is 711.1 secs Computing kpt #: 160 total cpu time spent up to now is 715.4 secs Computing kpt #: 161 total cpu time spent up to now is 719.7 secs Computing kpt #: 162 total cpu time spent up to now is 724.0 secs Computing kpt #: 163 total cpu time spent up to now is 728.5 secs Computing kpt #: 164 total cpu time spent up to now is 733.0 secs Computing kpt #: 165 total cpu time spent up to now is 737.7 secs Computing kpt #: 166 total cpu time spent up to now is 743.0 secs Computing kpt #: 167 total cpu time spent up to now is 748.2 secs Computing kpt #: 168 total cpu time spent up to now is 753.5 secs Computing kpt #: 169 total cpu time spent up to now is 759.4 secs Computing kpt #: 170 total cpu time spent up to now is 764.7 secs Computing kpt #: 171 total cpu time spent up to now is 770.8 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 778.0 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 785.3 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 792.5 secs Computing kpt #: 175 total cpu time spent up to now is 799.7 secs Computing kpt #: 176 total cpu time spent up to now is 806.6 secs Computing kpt #: 177 total cpu time spent up to now is 812.8 secs Computing kpt #: 178 total cpu time spent up to now is 819.0 secs Computing kpt #: 179 total cpu time spent up to now is 824.4 secs Computing kpt #: 180 total cpu time spent up to now is 830.4 secs Computing kpt #: 181 total cpu time spent up to now is 836.6 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 843.7 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 851.0 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 858.3 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 865.8 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 873.0 secs Computing kpt #: 187 total cpu time spent up to now is 879.8 secs Computing kpt #: 188 total cpu time spent up to now is 886.1 secs Computing kpt #: 189 total cpu time spent up to now is 892.3 secs Computing kpt #: 190 total cpu time spent up to now is 898.4 secs Computing kpt #: 191 total cpu time spent up to now is 904.6 secs Computing kpt #: 192 total cpu time spent up to now is 910.9 secs Computing kpt #: 193 total cpu time spent up to now is 916.8 secs Computing kpt #: 194 total cpu time spent up to now is 922.0 secs Computing kpt #: 195 total cpu time spent up to now is 928.2 secs Computing kpt #: 196 total cpu time spent up to now is 932.8 secs Computing kpt #: 197 total cpu time spent up to now is 937.1 secs Computing kpt #: 198 total cpu time spent up to now is 941.4 secs Computing kpt #: 199 total cpu time spent up to now is 945.8 secs Computing kpt #: 200 total cpu time spent up to now is 949.6 secs Computing kpt #: 201 total cpu time spent up to now is 953.3 secs Computing kpt #: 202 total cpu time spent up to now is 956.8 secs Computing kpt #: 203 total cpu time spent up to now is 960.5 secs Computing kpt #: 204 total cpu time spent up to now is 963.8 secs Computing kpt #: 205 total cpu time spent up to now is 967.2 secs Computing kpt #: 206 total cpu time spent up to now is 970.6 secs Computing kpt #: 207 total cpu time spent up to now is 974.0 secs Computing kpt #: 208 total cpu time spent up to now is 977.3 secs Computing kpt #: 209 total cpu time spent up to now is 980.7 secs Computing kpt #: 210 total cpu time spent up to now is 984.1 secs ethr = 1.39E-08, avg # of iterations = 56.2 total cpu time spent up to now is 984.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 21883 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9237 -14.9237 -14.8784 -14.8784 -10.9486 -10.9486 -10.3557 -10.3557 -10.3493 -10.3493 -10.3493 -10.3493 -10.2661 -10.2661 -10.2661 -10.2661 -3.9003 -3.9003 -3.7295 -3.7295 -2.6570 -2.6570 -2.6570 -2.6570 -2.3724 -2.3724 -2.3724 -2.3724 -0.7552 -0.7552 0.4741 0.4741 0.4741 0.4741 0.5157 0.5157 0.5537 0.5537 0.5905 0.5905 0.5905 0.5905 0.7629 0.7629 0.7629 0.7629 1.8008 1.8008 1.8008 1.8008 1.8587 1.8587 2.2727 2.2727 2.4546 2.4546 2.4546 2.4546 2.5301 2.5301 2.5975 2.5975 2.5975 2.5975 4.9608 4.9608 4.9608 4.9608 4.9730 4.9730 7.1130 7.1130 7.1130 7.1130 8.8898 8.8898 8.8898 8.8898 k = 0.0161-0.0093 0.0132 ( 21875 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9237 -14.9237 -14.8784 -14.8784 -10.9486 -10.9486 -10.3557 -10.3557 -10.3494 -10.3494 -10.3494 -10.3494 -10.2662 -10.2662 -10.2660 -10.2660 -3.8998 -3.8998 -3.7294 -3.7294 -2.6563 -2.6563 -2.6561 -2.6561 -2.3721 -2.3721 -2.3721 -2.3721 -0.7542 -0.7542 0.4693 0.4693 0.4741 0.4741 0.5181 0.5181 0.5534 0.5534 0.5903 0.5903 0.5922 0.5922 0.7618 0.7618 0.7626 0.7626 1.8003 1.8003 1.8005 1.8005 1.8583 1.8583 2.2717 2.2717 2.4529 2.4529 2.4537 2.4537 2.5294 2.5294 2.5965 2.5965 2.5971 2.5971 4.9608 4.9608 4.9613 4.9613 4.9733 4.9733 7.1115 7.1115 7.1130 7.1130 8.8925 8.8925 8.8926 8.8926 k = 0.0323-0.0186 0.0263 ( 21875 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9235 -14.9235 -14.8785 -14.8785 -10.9483 -10.9483 -10.3559 -10.3559 -10.3496 -10.3496 -10.3495 -10.3495 -10.2668 -10.2668 -10.2660 -10.2660 -3.8984 -3.8984 -3.7289 -3.7289 -2.6545 -2.6545 -2.6534 -2.6534 -2.3714 -2.3714 -2.3711 -2.3711 -0.7513 -0.7513 0.4575 0.4575 0.4740 0.4740 0.5227 0.5227 0.5524 0.5524 0.5899 0.5899 0.5972 0.5972 0.7583 0.7583 0.7614 0.7614 1.7988 1.7988 1.7996 1.7996 1.8569 1.8569 2.2687 2.2687 2.4478 2.4478 2.4512 2.4512 2.5273 2.5273 2.5935 2.5935 2.5959 2.5959 4.9605 4.9605 4.9628 4.9628 4.9744 4.9744 7.1072 7.1072 7.1129 7.1129 8.9007 8.9007 8.9007 8.9007 k = 0.0484-0.0279 0.0395 ( 21859 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9233 -14.9233 -14.8786 -14.8786 -10.9479 -10.9479 -10.3562 -10.3562 -10.3500 -10.3500 -10.3498 -10.3498 -10.2677 -10.2677 -10.2659 -10.2659 -3.8961 -3.8961 -3.7282 -3.7282 -2.6514 -2.6514 -2.6490 -2.6490 -2.3700 -2.3700 -2.3695 -2.3695 -0.7463 -0.7463 0.4421 0.4421 0.4739 0.4739 0.5270 0.5270 0.5508 0.5508 0.5891 0.5891 0.6049 0.6049 0.7527 0.7527 0.7596 0.7596 1.7964 1.7964 1.7981 1.7981 1.8548 1.8548 2.2635 2.2635 2.4395 2.4395 2.4470 2.4470 2.5236 2.5236 2.5885 2.5885 2.5941 2.5941 4.9598 4.9598 4.9652 4.9652 4.9764 4.9764 7.0999 7.0999 7.1129 7.1129 8.9142 8.9142 8.9143 8.9143 k = 0.0645-0.0372 0.0527 ( 21867 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9229 -14.9229 -14.8788 -14.8788 -10.9474 -10.9474 -10.3566 -10.3566 -10.3505 -10.3505 -10.3501 -10.3501 -10.2690 -10.2690 -10.2658 -10.2658 -3.8929 -3.8929 -3.7271 -3.7271 -2.6471 -2.6471 -2.6428 -2.6428 -2.3682 -2.3682 -2.3672 -2.3672 -0.7395 -0.7395 0.4247 0.4247 0.4737 0.4737 0.5301 0.5301 0.5485 0.5485 0.5880 0.5880 0.6143 0.6143 0.7450 0.7450 0.7570 0.7570 1.7931 1.7931 1.7961 1.7961 1.8518 1.8518 2.2563 2.2563 2.4283 2.4283 2.4412 2.4412 2.5181 2.5181 2.5816 2.5816 2.5918 2.5918 4.9584 4.9584 4.9686 4.9686 4.9796 4.9796 7.0899 7.0899 7.1128 7.1128 8.9328 8.9328 8.9331 8.9331 k = 0.0806-0.0466 0.0658 ( 21875 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9224 -14.9224 -14.8790 -14.8790 -10.9467 -10.9467 -10.3571 -10.3571 -10.3511 -10.3511 -10.3505 -10.3505 -10.2706 -10.2706 -10.2656 -10.2656 -3.8888 -3.8888 -3.7258 -3.7258 -2.6417 -2.6417 -2.6349 -2.6349 -2.3659 -2.3659 -2.3644 -2.3644 -0.7308 -0.7308 0.4061 0.4061 0.4734 0.4734 0.5323 0.5323 0.5452 0.5452 0.5867 0.5867 0.6246 0.6246 0.7354 0.7354 0.7537 0.7537 1.7888 1.7888 1.7936 1.7936 1.8481 1.8481 2.2467 2.2467 2.4145 2.4145 2.4338 2.4338 2.5109 2.5109 2.5729 2.5729 2.5892 2.5892 4.9564 4.9564 4.9729 4.9729 4.9839 4.9839 7.0772 7.0772 7.1127 7.1127 8.9562 8.9562 8.9572 8.9572 k = 0.0968-0.0559 0.0790 ( 21859 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9218 -14.9218 -14.8793 -14.8793 -10.9458 -10.9458 -10.3578 -10.3578 -10.3519 -10.3519 -10.3510 -10.3510 -10.2726 -10.2726 -10.2655 -10.2655 -3.8840 -3.8840 -3.7242 -3.7242 -2.6351 -2.6351 -2.6253 -2.6253 -2.3631 -2.3631 -2.3609 -2.3609 -0.7203 -0.7203 0.3867 0.3867 0.4731 0.4731 0.5337 0.5337 0.5410 0.5410 0.5850 0.5850 0.6351 0.6351 0.7243 0.7243 0.7497 0.7497 1.7837 1.7837 1.7908 1.7908 1.8439 1.8439 2.2347 2.2347 2.3985 2.3985 2.4249 2.4249 2.5016 2.5016 2.5625 2.5625 2.5866 2.5866 4.9538 4.9538 4.9780 4.9780 4.9893 4.9893 7.0618 7.0618 7.1125 7.1125 8.9844 8.9844 8.9864 8.9864 k = 0.1129-0.0652 0.0922 ( 21835 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9212 -14.9212 -14.8796 -14.8796 -10.9449 -10.9449 -10.3585 -10.3585 -10.3527 -10.3527 -10.3516 -10.3516 -10.2749 -10.2749 -10.2652 -10.2652 -3.8783 -3.8783 -3.7223 -3.7223 -2.6274 -2.6274 -2.6142 -2.6142 -2.3599 -2.3599 -2.3570 -2.3570 -0.7081 -0.7081 0.3668 0.3668 0.4726 0.4726 0.5347 0.5347 0.5355 0.5355 0.5829 0.5829 0.6453 0.6453 0.7119 0.7119 0.7451 0.7451 1.7777 1.7777 1.7876 1.7876 1.8392 1.8392 2.2200 2.2200 2.3809 2.3809 2.4145 2.4145 2.4904 2.4904 2.5505 2.5505 2.5841 2.5841 4.9507 4.9507 4.9838 4.9838 4.9956 4.9956 7.0440 7.0440 7.1124 7.1124 9.0171 9.0171 9.0204 9.0204 k = 0.1290-0.0745 0.1054 ( 21827 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9205 -14.9205 -14.8799 -14.8799 -10.9438 -10.9438 -10.3594 -10.3594 -10.3537 -10.3537 -10.3523 -10.3523 -10.2775 -10.2775 -10.2650 -10.2650 -3.8719 -3.8719 -3.7202 -3.7202 -2.6188 -2.6188 -2.6015 -2.6015 -2.3563 -2.3563 -2.3525 -2.3525 -0.6942 -0.6942 0.3468 0.3468 0.4719 0.4719 0.5286 0.5286 0.5352 0.5352 0.5806 0.5806 0.6549 0.6549 0.6988 0.6988 0.7400 0.7400 1.7709 1.7709 1.7842 1.7842 1.8342 1.8342 2.2025 2.2025 2.3622 2.3622 2.4028 2.4028 2.4773 2.4773 2.5371 2.5371 2.5817 2.5817 4.9472 4.9472 4.9903 4.9903 5.0027 5.0027 7.0239 7.0239 7.1122 7.1122 9.0542 9.0542 9.0591 9.0591 k = 0.1452-0.0838 0.1185 ( 21803 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9196 -14.9196 -14.8803 -14.8803 -10.9426 -10.9426 -10.3604 -10.3604 -10.3547 -10.3547 -10.3531 -10.3531 -10.2803 -10.2803 -10.2648 -10.2648 -3.8648 -3.8648 -3.7179 -3.7179 -2.6092 -2.6092 -2.5873 -2.5873 -2.3522 -2.3522 -2.3475 -2.3475 -0.6788 -0.6788 0.3267 0.3267 0.4709 0.4709 0.5199 0.5199 0.5355 0.5355 0.5778 0.5778 0.6635 0.6635 0.6855 0.6855 0.7345 0.7345 1.7633 1.7633 1.7808 1.7808 1.8291 1.8291 2.1819 2.1819 2.3430 2.3430 2.3897 2.3897 2.4624 2.4624 2.5223 2.5223 2.5795 2.5795 4.9433 4.9433 4.9975 4.9975 5.0105 5.0105 7.0018 7.0018 7.1120 7.1120 9.0955 9.0955 9.1022 9.1022 k = 0.1613-0.0931 0.1317 ( 21783 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9188 -14.9188 -14.8807 -14.8807 -10.9413 -10.9413 -10.3615 -10.3615 -10.3557 -10.3557 -10.3539 -10.3539 -10.2834 -10.2834 -10.2645 -10.2645 -3.8571 -3.8571 -3.7154 -3.7154 -2.5987 -2.5987 -2.5718 -2.5718 -2.3478 -2.3478 -2.3421 -2.3421 -0.6619 -0.6619 0.3067 0.3067 0.4692 0.4692 0.5096 0.5096 0.5356 0.5356 0.5746 0.5746 0.6709 0.6709 0.6726 0.6726 0.7289 0.7289 1.7550 1.7550 1.7773 1.7773 1.8240 1.8240 2.1581 2.1581 2.3238 2.3238 2.3756 2.3756 2.4459 2.4459 2.5064 2.5064 2.5775 2.5775 4.9391 4.9391 5.0051 5.0051 5.0190 5.0190 6.9778 6.9778 7.1118 7.1118 9.1407 9.1407 9.1495 9.1495 k = 0.1774-0.1024 0.1449 ( 21767 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9178 -14.9178 -14.8811 -14.8811 -10.9399 -10.9399 -10.3626 -10.3626 -10.3567 -10.3567 -10.3547 -10.3547 -10.2868 -10.2868 -10.2642 -10.2642 -3.8489 -3.8489 -3.7127 -3.7127 -2.5875 -2.5875 -2.5551 -2.5551 -2.3432 -2.3432 -2.3364 -2.3364 -0.6437 -0.6437 0.2871 0.2871 0.4659 0.4659 0.4982 0.4982 0.5355 0.5355 0.5710 0.5710 0.6606 0.6606 0.6764 0.6764 0.7236 0.7236 1.7461 1.7461 1.7740 1.7740 1.8189 1.8189 2.1313 2.1313 2.3049 2.3049 2.3604 2.3604 2.4280 2.4280 2.4895 2.4895 2.5756 2.5756 4.9346 4.9346 5.0131 5.0131 5.0278 5.0278 6.9523 6.9523 7.1116 7.1116 9.1897 9.1897 9.2006 9.2006 k = 0.1935-0.1117 0.1580 ( 21767 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9168 -14.9168 -14.8815 -14.8815 -10.9384 -10.9384 -10.3639 -10.3639 -10.3578 -10.3578 -10.3556 -10.3556 -10.2903 -10.2903 -10.2639 -10.2639 -3.8403 -3.8403 -3.7099 -3.7099 -2.5756 -2.5756 -2.5372 -2.5372 -2.3382 -2.3382 -2.3303 -2.3303 -0.6244 -0.6244 0.2679 0.2679 0.4585 0.4585 0.4881 0.4881 0.5353 0.5353 0.5670 0.5670 0.6499 0.6499 0.6793 0.6793 0.7195 0.7195 1.7367 1.7367 1.7709 1.7709 1.8142 1.8142 2.1016 2.1016 2.2865 2.2865 2.3443 2.3443 2.4089 2.4089 2.4718 2.4718 2.5738 2.5738 4.9300 4.9300 5.0215 5.0215 5.0371 5.0371 6.9254 6.9254 7.1114 7.1114 9.2421 9.2421 9.2552 9.2552 k = 0.2097-0.1211 0.1712 ( 21751 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9158 -14.9158 -14.8820 -14.8820 -10.9368 -10.9368 -10.3652 -10.3652 -10.3589 -10.3589 -10.3565 -10.3565 -10.2940 -10.2940 -10.2635 -10.2635 -3.8312 -3.8312 -3.7070 -3.7070 -2.5632 -2.5632 -2.5183 -2.5183 -2.3330 -2.3330 -2.3241 -2.3241 -0.6041 -0.6041 0.2493 0.2493 0.4443 0.4443 0.4819 0.4819 0.5349 0.5349 0.5625 0.5625 0.6408 0.6408 0.6787 0.6787 0.7175 0.7175 1.7268 1.7268 1.7682 1.7682 1.8098 1.8098 2.0694 2.0694 2.2688 2.2688 2.3275 2.3275 2.3889 2.3889 2.4534 2.4534 2.5722 2.5722 4.9253 4.9253 5.0301 5.0301 5.0466 5.0466 6.8974 6.8974 7.1111 7.1111 9.2976 9.2976 9.3130 9.3130 k = 0.2258-0.1304 0.1844 ( 21767 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9147 -14.9147 -14.8825 -14.8825 -10.9352 -10.9352 -10.3666 -10.3666 -10.3599 -10.3599 -10.3575 -10.3575 -10.2978 -10.2978 -10.2632 -10.2632 -3.8219 -3.8219 -3.7039 -3.7039 -2.5503 -2.5503 -2.4985 -2.4985 -2.3277 -2.3277 -2.3176 -2.3176 -0.5830 -0.5830 0.2315 0.2315 0.4243 0.4243 0.4788 0.4788 0.5345 0.5345 0.5576 0.5576 0.6333 0.6333 0.6745 0.6745 0.7178 0.7178 1.7166 1.7166 1.7658 1.7658 1.8059 1.8059 2.0351 2.0351 2.2518 2.2518 2.3103 2.3103 2.3681 2.3681 2.4345 2.4345 2.5706 2.5706 4.9205 4.9205 5.0388 5.0388 5.0563 5.0563 6.8688 6.8688 7.1109 7.1109 9.3561 9.3561 9.3735 9.3735 k = 0.2419-0.1397 0.1975 ( 21775 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9137 -14.9137 -14.8830 -14.8830 -10.9336 -10.9336 -10.3679 -10.3679 -10.3610 -10.3610 -10.3585 -10.3585 -10.3017 -10.3017 -10.2629 -10.2629 -3.8124 -3.8124 -3.7009 -3.7009 -2.5370 -2.5370 -2.4781 -2.4781 -2.3222 -2.3222 -2.3110 -2.3110 -0.5613 -0.5613 0.2146 0.2146 0.4007 0.4007 0.4772 0.4772 0.5339 0.5339 0.5523 0.5523 0.6271 0.6271 0.6678 0.6678 0.7194 0.7194 1.7061 1.7061 1.7640 1.7640 1.8025 1.8025 1.9993 1.9993 2.2353 2.2353 2.2927 2.2927 2.3468 2.3468 2.4152 2.4152 2.5691 2.5691 4.9158 4.9158 5.0475 5.0475 5.0660 5.0660 6.8397 6.8397 7.1106 7.1106 9.4170 9.4170 9.4363 9.4363 k = 0.2581-0.1490 0.2107 ( 21772 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9126 -14.9126 -14.8834 -14.8834 -10.9320 -10.9320 -10.3693 -10.3693 -10.3620 -10.3620 -10.3594 -10.3594 -10.3057 -10.3057 -10.2625 -10.2625 -3.8028 -3.8028 -3.6978 -3.6978 -2.5236 -2.5236 -2.4571 -2.4571 -2.3167 -2.3167 -2.3044 -2.3044 -0.5392 -0.5392 0.1987 0.1987 0.3748 0.3748 0.4762 0.4762 0.5332 0.5332 0.5468 0.5468 0.6222 0.6222 0.6594 0.6594 0.7216 0.7216 1.6956 1.6956 1.7627 1.7627 1.7997 1.7997 1.9626 1.9626 2.2194 2.2194 2.2750 2.2750 2.3252 2.3252 2.3956 2.3956 2.5676 2.5676 4.9110 4.9110 5.0562 5.0562 5.0757 5.0757 6.8105 6.8105 7.1104 7.1104 9.4799 9.4799 9.5008 9.5008 k = 0.2742-0.1583 0.2239 ( 21748 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9115 -14.9115 -14.8839 -14.8839 -10.9303 -10.9303 -10.3707 -10.3707 -10.3630 -10.3630 -10.3604 -10.3604 -10.3097 -10.3097 -10.2622 -10.2622 -3.7933 -3.7933 -3.6947 -3.6947 -2.5100 -2.5100 -2.4358 -2.4358 -2.3112 -2.3112 -2.2978 -2.2978 -0.5170 -0.5170 0.1838 0.1838 0.3474 0.3474 0.4755 0.4755 0.5325 0.5325 0.5411 0.5411 0.6183 0.6183 0.6502 0.6502 0.7237 0.7237 1.6851 1.6851 1.7620 1.7620 1.7976 1.7976 1.9253 1.9253 2.2041 2.2041 2.2575 2.2575 2.3034 2.3034 2.3760 2.3760 2.5663 2.5663 4.9064 4.9064 5.0648 5.0648 5.0852 5.0852 6.7815 6.7815 7.1101 7.1101 9.5446 9.5446 9.5665 9.5665 k = 0.2903-0.1676 0.2370 ( 21752 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9104 -14.9104 -14.8844 -14.8844 -10.9287 -10.9287 -10.3719 -10.3719 -10.3640 -10.3640 -10.3613 -10.3613 -10.3136 -10.3136 -10.2619 -10.2619 -3.7838 -3.7838 -3.6917 -3.6917 -2.4966 -2.4966 -2.4144 -2.4144 -2.3057 -2.3057 -2.2913 -2.2913 -0.4949 -0.4949 0.1703 0.1703 0.3192 0.3192 0.4749 0.4749 0.5317 0.5317 0.5352 0.5352 0.6152 0.6152 0.6404 0.6404 0.7255 0.7255 1.6747 1.6747 1.7619 1.7619 1.7960 1.7960 1.8880 1.8880 2.1893 2.1893 2.2404 2.2404 2.2818 2.2818 2.3563 2.3563 2.5650 2.5650 4.9019 4.9019 5.0731 5.0731 5.0945 5.0945 6.7530 6.7530 7.1099 7.1099 9.6103 9.6103 9.6328 9.6328 k = 0.3065-0.1769 0.2502 ( 21760 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9094 -14.9094 -14.8849 -14.8849 -10.9271 -10.9271 -10.3732 -10.3732 -10.3650 -10.3650 -10.3623 -10.3623 -10.3176 -10.3176 -10.2615 -10.2615 -3.7745 -3.7745 -3.6888 -3.6888 -2.4833 -2.4833 -2.3931 -2.3931 -2.3003 -2.3003 -2.2850 -2.2850 -0.4732 -0.4732 0.1580 0.1580 0.2906 0.2906 0.4745 0.4745 0.5293 0.5293 0.5309 0.5309 0.6126 0.6126 0.6303 0.6303 0.7269 0.7269 1.6646 1.6646 1.7622 1.7622 1.7951 1.7951 1.8514 1.8514 2.1751 2.1751 2.2238 2.2238 2.2606 2.2606 2.3369 2.3369 2.5637 2.5637 4.8976 4.8976 5.0811 5.0811 5.1035 5.1035 6.7252 6.7252 7.1096 7.1096 9.6767 9.6767 9.6991 9.6991 k = 0.3226-0.1862 0.2634 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9084 -14.9084 -14.8853 -14.8853 -10.9255 -10.9255 -10.3743 -10.3743 -10.3659 -10.3659 -10.3632 -10.3632 -10.3214 -10.3214 -10.2612 -10.2612 -3.7656 -3.7656 -3.6859 -3.6859 -2.4704 -2.4704 -2.3723 -2.3723 -2.2950 -2.2950 -2.2789 -2.2789 -0.4521 -0.4521 0.1471 0.1471 0.2623 0.2623 0.4741 0.4741 0.5235 0.5235 0.5301 0.5301 0.6106 0.6106 0.6202 0.6202 0.7280 0.7280 1.6549 1.6549 1.7624 1.7624 1.7947 1.7947 1.8165 1.8165 2.1614 2.1614 2.2081 2.2081 2.2399 2.2399 2.3177 2.3177 2.5626 2.5626 4.8935 4.8935 5.0887 5.0887 5.1120 5.1120 6.6985 6.6985 7.1094 7.1094 9.7431 9.7431 9.7647 9.7647 k = 0.3387-0.1956 0.2766 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9075 -14.9075 -14.8857 -14.8857 -10.9241 -10.9241 -10.3753 -10.3753 -10.3668 -10.3668 -10.3640 -10.3640 -10.3251 -10.3251 -10.2609 -10.2609 -3.7570 -3.7570 -3.6832 -3.6832 -2.4580 -2.4580 -2.3520 -2.3520 -2.2898 -2.2898 -2.2731 -2.2731 -0.4320 -0.4320 0.1376 0.1376 0.2345 0.2345 0.4738 0.4738 0.5178 0.5178 0.5294 0.5294 0.6089 0.6089 0.6101 0.6101 0.7287 0.7287 1.6456 1.6456 1.7589 1.7589 1.7872 1.7872 1.7948 1.7948 2.1483 2.1483 2.1934 2.1934 2.2201 2.2201 2.2989 2.2989 2.5615 2.5615 4.8896 4.8896 5.0959 5.0959 5.1200 5.1200 6.6732 6.6732 7.1092 7.1092 9.8088 9.8088 9.8288 9.8288 k = 0.3548-0.2049 0.2897 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9066 -14.9066 -14.8861 -14.8861 -10.9227 -10.9227 -10.3762 -10.3762 -10.3676 -10.3676 -10.3648 -10.3648 -10.3287 -10.3287 -10.2607 -10.2607 -3.7489 -3.7489 -3.6806 -3.6806 -2.4462 -2.4462 -2.3328 -2.3328 -2.2848 -2.2848 -2.2677 -2.2677 -0.4131 -0.4131 0.1296 0.1296 0.2078 0.2078 0.4735 0.4735 0.5124 0.5124 0.5288 0.5288 0.6003 0.6003 0.6075 0.6075 0.7291 0.7291 1.6370 1.6370 1.7389 1.7389 1.7767 1.7767 1.7954 1.7954 2.1357 2.1357 2.1801 2.1801 2.2014 2.2014 2.2807 2.2807 2.5605 2.5605 4.8860 4.8860 5.1026 5.1026 5.1275 5.1275 6.6494 6.6494 7.1090 7.1090 9.8732 9.8732 9.8905 9.8905 k = 0.3710-0.2142 0.3029 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9057 -14.9057 -14.8865 -14.8865 -10.9214 -10.9214 -10.3770 -10.3770 -10.3683 -10.3683 -10.3655 -10.3655 -10.3320 -10.3320 -10.2604 -10.2604 -3.7414 -3.7414 -3.6783 -3.6783 -2.4352 -2.4352 -2.3149 -2.3149 -2.2799 -2.2799 -2.2627 -2.2627 -0.3956 -0.3956 0.1231 0.1231 0.1826 0.1826 0.4733 0.4733 0.5072 0.5072 0.5283 0.5283 0.5909 0.5909 0.6064 0.6064 0.7292 0.7292 1.6290 1.6290 1.7103 1.7103 1.7774 1.7774 1.7963 1.7963 2.1237 2.1237 2.1682 2.1682 2.1840 2.1840 2.2633 2.2633 2.5596 2.5596 4.8828 4.8828 5.1088 5.1088 5.1344 5.1344 6.6275 6.6275 7.1088 7.1088 9.9355 9.9355 9.9492 9.9492 k = 0.3871-0.2235 0.3161 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9050 -14.9050 -14.8868 -14.8868 -10.9202 -10.9202 -10.3776 -10.3776 -10.3690 -10.3690 -10.3662 -10.3662 -10.3351 -10.3351 -10.2602 -10.2602 -3.7346 -3.7346 -3.6761 -3.6761 -2.4251 -2.4251 -2.2991 -2.2991 -2.2747 -2.2747 -2.2581 -2.2581 -0.3797 -0.3797 0.1179 0.1179 0.1593 0.1593 0.4731 0.4731 0.5024 0.5024 0.5281 0.5281 0.5820 0.5820 0.6055 0.6055 0.7291 0.7291 1.6217 1.6217 1.6823 1.6823 1.7803 1.7803 1.7975 1.7975 2.1123 2.1123 2.1579 2.1579 2.1684 2.1684 2.2467 2.2467 2.5588 2.5588 4.8798 4.8798 5.1143 5.1143 5.1406 5.1406 6.6076 6.6076 7.1086 7.1086 9.9947 9.9947 10.0038 10.0038 k = 0.4032-0.2328 0.3292 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9043 -14.9043 -14.8871 -14.8871 -10.9191 -10.9191 -10.3781 -10.3781 -10.3697 -10.3697 -10.3668 -10.3668 -10.3379 -10.3379 -10.2600 -10.2600 -3.7285 -3.7285 -3.6742 -3.6742 -2.4160 -2.4160 -2.2864 -2.2864 -2.2684 -2.2684 -2.2541 -2.2541 -0.3658 -0.3658 0.1139 0.1139 0.1382 0.1382 0.4730 0.4730 0.4981 0.4981 0.5281 0.5281 0.5737 0.5737 0.6047 0.6047 0.7288 0.7288 1.6153 1.6153 1.6568 1.6568 1.7840 1.7840 1.7988 1.7988 2.1014 2.1014 2.1495 2.1495 2.1547 2.1547 2.2312 2.2312 2.5581 2.5581 4.8773 4.8773 5.1192 5.1192 5.1461 5.1461 6.5900 6.5900 7.1085 7.1085 10.0499 10.0499 10.0535 10.0535 k = 0.4194-0.2421 0.3424 ( 21760 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9037 -14.9037 -14.8874 -14.8874 -10.9182 -10.9182 -10.3785 -10.3785 -10.3702 -10.3702 -10.3673 -10.3673 -10.3404 -10.3404 -10.2598 -10.2598 -3.7233 -3.7233 -3.6726 -3.6726 -2.4081 -2.4081 -2.2781 -2.2781 -2.2601 -2.2601 -2.2507 -2.2507 -0.3538 -0.3538 0.1110 0.1110 0.1198 0.1198 0.4729 0.4729 0.4943 0.4943 0.5285 0.5285 0.5660 0.5660 0.6041 0.6041 0.7285 0.7285 1.6097 1.6097 1.6343 1.6343 1.7878 1.7878 1.8002 1.8002 2.0914 2.0914 2.1428 2.1428 2.1431 2.1431 2.2170 2.2170 2.5574 2.5574 4.8750 4.8750 5.1234 5.1234 5.1508 5.1508 6.5748 6.5748 7.1084 7.1084 10.0974 10.0974 10.1001 10.1001 k = 0.4355-0.2514 0.3556 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9033 -14.9033 -14.8876 -14.8876 -10.9175 -10.9175 -10.3787 -10.3787 -10.3707 -10.3707 -10.3677 -10.3677 -10.3425 -10.3425 -10.2596 -10.2596 -3.7189 -3.7189 -3.6712 -3.6712 -2.4015 -2.4015 -2.2732 -2.2732 -2.2509 -2.2509 -2.2478 -2.2478 -0.3439 -0.3439 0.1042 0.1042 0.1091 0.1091 0.4728 0.4728 0.4911 0.4911 0.5292 0.5292 0.5591 0.5591 0.6037 0.6037 0.7282 0.7282 1.6051 1.6051 1.6153 1.6153 1.7916 1.7916 1.8015 1.8015 2.0823 2.0823 2.1338 2.1338 2.1380 2.1380 2.2045 2.2045 2.5569 2.5569 4.8732 4.8732 5.1268 5.1268 5.1547 5.1547 6.5621 6.5621 7.1082 7.1082 10.1346 10.1346 10.1438 10.1438 k = 0.4516-0.2607 0.3687 ( 21736 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9029 -14.9029 -14.8877 -14.8877 -10.9169 -10.9169 -10.3789 -10.3789 -10.3711 -10.3711 -10.3681 -10.3681 -10.3441 -10.3441 -10.2595 -10.2595 -3.7154 -3.7154 -3.6701 -3.6701 -2.3962 -2.3962 -2.2702 -2.2702 -2.2455 -2.2455 -2.2428 -2.2428 -0.3362 -0.3362 0.0918 0.0918 0.1079 0.1079 0.4727 0.4727 0.4886 0.4886 0.5304 0.5304 0.5530 0.5530 0.6033 0.6033 0.7278 0.7278 1.6002 1.6002 1.6015 1.6015 1.7949 1.7949 1.8025 1.8025 2.0747 2.0747 2.1266 2.1266 2.1348 2.1348 2.1939 2.1939 2.5565 2.5565 4.8718 4.8718 5.1296 5.1296 5.1577 5.1577 6.5522 6.5522 7.1082 7.1082 10.1645 10.1645 10.1800 10.1800 k = 0.4677-0.2701 0.3819 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9026 -14.9026 -14.8879 -14.8879 -10.9164 -10.9164 -10.3790 -10.3790 -10.3714 -10.3714 -10.3683 -10.3683 -10.3454 -10.3454 -10.2594 -10.2594 -3.7129 -3.7129 -3.6693 -3.6693 -2.3924 -2.3924 -2.2683 -2.2683 -2.2439 -2.2439 -2.2366 -2.2366 -0.3307 -0.3307 0.0828 0.0828 0.1072 0.1072 0.4727 0.4727 0.4867 0.4867 0.5320 0.5320 0.5478 0.5478 0.6031 0.6031 0.7276 0.7276 1.5892 1.5892 1.5989 1.5989 1.7976 1.7976 1.8034 1.8034 2.0689 2.0689 2.1216 2.1216 2.1331 2.1331 2.1856 2.1856 2.5562 2.5562 4.8708 4.8708 5.1315 5.1315 5.1599 5.1599 6.5450 6.5450 7.1081 7.1081 10.1863 10.1863 10.2071 10.2071 k = 0.4839-0.2794 0.3951 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9024 -14.9024 -14.8879 -14.8879 -10.9162 -10.9162 -10.3791 -10.3791 -10.3715 -10.3715 -10.3684 -10.3684 -10.3461 -10.3461 -10.2594 -10.2594 -3.7114 -3.7114 -3.6689 -3.6689 -2.3901 -2.3901 -2.2672 -2.2672 -2.2429 -2.2429 -2.2328 -2.2328 -0.3274 -0.3274 0.0773 0.0773 0.1068 0.1068 0.4727 0.4727 0.4856 0.4856 0.5338 0.5338 0.5438 0.5438 0.6029 0.6029 0.7274 0.7274 1.5825 1.5825 1.5973 1.5973 1.7993 1.7993 1.8039 1.8039 2.0652 2.0652 2.1186 2.1186 2.1323 2.1323 2.1803 2.1803 2.5561 2.5561 4.8701 4.8701 5.1327 5.1327 5.1612 5.1612 6.5406 6.5406 7.1081 7.1081 10.1997 10.1997 10.2240 10.2240 k = 0.5000-0.2887 0.4082 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9024 -14.9024 -14.8880 -14.8880 -10.9161 -10.9161 -10.3791 -10.3791 -10.3716 -10.3716 -10.3685 -10.3685 -10.3464 -10.3464 -10.2594 -10.2594 -3.7109 -3.7109 -3.6687 -3.6687 -2.3893 -2.3893 -2.2668 -2.2668 -2.2426 -2.2426 -2.2315 -2.2315 -0.3263 -0.3263 0.0755 0.0755 0.1067 0.1067 0.4727 0.4727 0.4852 0.4852 0.5349 0.5349 0.5419 0.5419 0.6029 0.6029 0.7273 0.7273 1.5803 1.5803 1.5968 1.5968 1.7999 1.7999 1.8041 1.8041 2.0640 2.0640 2.1176 2.1176 2.1322 2.1322 2.1785 2.1785 2.5560 2.5560 4.8699 4.8699 5.1331 5.1331 5.1617 5.1617 6.5392 6.5392 7.1080 7.1080 10.2041 10.2041 10.2298 10.2298 k = 0.5000-0.2887 0.4082 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9024 -14.9024 -14.8880 -14.8880 -10.9161 -10.9161 -10.3791 -10.3791 -10.3716 -10.3716 -10.3685 -10.3685 -10.3464 -10.3464 -10.2594 -10.2594 -3.7109 -3.7109 -3.6687 -3.6687 -2.3893 -2.3893 -2.2668 -2.2668 -2.2426 -2.2426 -2.2315 -2.2315 -0.3263 -0.3263 0.0755 0.0755 0.1067 0.1067 0.4727 0.4727 0.4852 0.4852 0.5349 0.5349 0.5419 0.5419 0.6029 0.6029 0.7273 0.7273 1.5803 1.5803 1.5968 1.5968 1.7999 1.7999 1.8041 1.8041 2.0640 2.0640 2.1176 2.1176 2.1322 2.1322 2.1785 2.1785 2.5560 2.5560 4.8699 4.8699 5.1331 5.1331 5.1617 5.1617 6.5392 6.5392 7.1080 7.1080 10.2041 10.2041 10.2298 10.2298 k = 0.5000-0.2706 0.4210 ( 21738 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9024 -14.9024 -14.8880 -14.8880 -10.9161 -10.9161 -10.3820 -10.3820 -10.3705 -10.3705 -10.3665 -10.3665 -10.3464 -10.3464 -10.2595 -10.2595 -3.7108 -3.7108 -3.6688 -3.6688 -2.3890 -2.3890 -2.2669 -2.2669 -2.2430 -2.2430 -2.2314 -2.2314 -0.3259 -0.3259 0.0764 0.0764 0.1059 0.1059 0.4653 0.4653 0.4911 0.4911 0.5375 0.5375 0.5412 0.5412 0.6021 0.6021 0.7267 0.7267 1.5820 1.5820 1.5970 1.5970 1.7994 1.7994 1.8037 1.8037 2.0647 2.0647 2.1169 2.1169 2.1329 2.1329 2.1778 2.1778 2.5552 2.5552 4.8706 4.8706 5.1328 5.1328 5.1614 5.1614 6.5402 6.5402 7.1072 7.1072 10.2057 10.2057 10.2325 10.2325 k = 0.5000-0.2526 0.4338 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9023 -14.9023 -14.8881 -14.8881 -10.9160 -10.9160 -10.3871 -10.3871 -10.3700 -10.3700 -10.3616 -10.3616 -10.3465 -10.3465 -10.2598 -10.2598 -3.7105 -3.7105 -3.6691 -3.6691 -2.3881 -2.3881 -2.2672 -2.2672 -2.2442 -2.2442 -2.2312 -2.2312 -0.3245 -0.3245 0.0791 0.0791 0.1036 0.1036 0.4535 0.4535 0.4986 0.4986 0.5386 0.5386 0.5451 0.5451 0.6000 0.6000 0.7249 0.7249 1.5869 1.5869 1.5977 1.5977 1.7979 1.7979 1.8028 1.8028 2.0669 2.0669 2.1148 2.1148 2.1350 2.1350 2.1758 2.1758 2.5527 2.5527 4.8727 4.8727 5.1318 5.1318 5.1604 5.1604 6.5434 6.5434 7.1045 7.1045 10.2102 10.2102 10.2406 10.2406 k = 0.5000-0.2345 0.4465 ( 21736 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9021 -14.9021 -14.8883 -14.8883 -10.9158 -10.9158 -10.3924 -10.3924 -10.3696 -10.3696 -10.3560 -10.3560 -10.3467 -10.3467 -10.2604 -10.2604 -3.7100 -3.7100 -3.6695 -3.6695 -2.3866 -2.3866 -2.2676 -2.2676 -2.2460 -2.2460 -2.2310 -2.2310 -0.3223 -0.3223 0.0837 0.0837 0.0997 0.0997 0.4415 0.4415 0.5047 0.5047 0.5342 0.5342 0.5562 0.5562 0.5970 0.5970 0.7220 0.7220 1.5947 1.5947 1.5993 1.5993 1.7952 1.7952 1.8014 1.8014 2.0700 2.0700 2.1112 2.1112 2.1389 2.1389 2.1727 2.1727 2.5485 2.5485 4.8760 4.8760 5.1299 5.1299 5.1590 5.1590 6.5486 6.5486 7.1002 7.1002 10.2176 10.2176 10.2542 10.2542 k = 0.5000-0.2165 0.4593 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9018 -14.9018 -14.8885 -14.8885 -10.9156 -10.9156 -10.3977 -10.3977 -10.3692 -10.3692 -10.3506 -10.3506 -10.3467 -10.3467 -10.2612 -10.2612 -3.7093 -3.7093 -3.6702 -3.6702 -2.3845 -2.3845 -2.2683 -2.2683 -2.2484 -2.2484 -2.2309 -2.2309 -0.3193 -0.3193 0.0897 0.0897 0.0948 0.0948 0.4299 0.4299 0.5100 0.5100 0.5274 0.5274 0.5693 0.5693 0.5941 0.5941 0.7179 0.7179 1.5996 1.5996 1.6074 1.6074 1.7913 1.7913 1.7996 1.7996 2.0734 2.0734 2.1060 2.1060 2.1448 2.1448 2.1687 2.1687 2.5427 2.5427 4.8807 4.8807 5.1271 5.1271 5.1573 5.1573 6.5558 6.5558 7.0943 7.0943 10.2277 10.2277 10.2735 10.2735 k = 0.5000-0.1985 0.4720 ( 21730 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9015 -14.9015 -14.8888 -14.8888 -10.9153 -10.9153 -10.4027 -10.4027 -10.3687 -10.3687 -10.3483 -10.3483 -10.3437 -10.3437 -10.2622 -10.2622 -3.7085 -3.7085 -3.6710 -3.6710 -2.3818 -2.3818 -2.2692 -2.2692 -2.2511 -2.2511 -2.2307 -2.2307 -0.3155 -0.3155 0.0875 0.0875 0.0986 0.0986 0.4191 0.4191 0.5148 0.5148 0.5181 0.5181 0.5812 0.5812 0.5938 0.5938 0.7128 0.7128 1.6022 1.6022 1.6212 1.6212 1.7863 1.7863 1.7977 1.7977 2.0767 2.0767 2.0989 2.0989 2.1528 2.1528 2.1646 2.1646 2.5353 2.5353 4.8866 4.8866 5.1231 5.1231 5.1556 5.1556 6.5648 6.5648 7.0868 7.0868 10.2405 10.2405 10.2982 10.2982 k = 0.5000-0.1804 0.4848 ( 21716 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9012 -14.9012 -14.8892 -14.8892 -10.9150 -10.9150 -10.4075 -10.4075 -10.3681 -10.3681 -10.3486 -10.3486 -10.3382 -10.3382 -10.2635 -10.2635 -3.7074 -3.7074 -3.6719 -3.6719 -2.3786 -2.3786 -2.2706 -2.2706 -2.2540 -2.2540 -2.2307 -2.2307 -0.3110 -0.3110 0.0801 0.0801 0.1084 0.1084 0.4094 0.4094 0.5048 0.5048 0.5209 0.5209 0.5847 0.5847 0.6029 0.6029 0.7068 0.7068 1.6052 1.6052 1.6377 1.6377 1.7802 1.7802 1.7954 1.7954 2.0793 2.0793 2.0898 2.0898 2.1576 2.1576 2.1663 2.1663 2.5263 2.5263 4.8937 4.8937 5.1178 5.1178 5.1540 5.1540 6.5753 6.5753 7.0779 7.0779 10.2560 10.2560 10.3285 10.3285 k = 0.5000-0.1624 0.4976 ( 21722 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9008 -14.9008 -14.8896 -14.8896 -10.9147 -10.9147 -10.4121 -10.4121 -10.3675 -10.3675 -10.3492 -10.3492 -10.3326 -10.3326 -10.2649 -10.2649 -3.7063 -3.7063 -3.6731 -3.6731 -2.3748 -2.3748 -2.2727 -2.2727 -2.2568 -2.2568 -2.2307 -2.2307 -0.3060 -0.3060 0.0716 0.0716 0.1199 0.1199 0.4006 0.4006 0.4895 0.4895 0.5270 0.5270 0.5842 0.5842 0.6164 0.6164 0.7000 0.7000 1.6091 1.6091 1.6563 1.6563 1.7733 1.7733 1.7931 1.7931 2.0776 2.0776 2.0820 2.0820 2.1540 2.1540 2.1792 2.1792 2.5157 2.5157 4.9019 4.9019 5.1111 5.1111 5.1527 5.1527 6.5872 6.5872 7.0678 7.0678 10.2739 10.2739 10.3643 10.3643 k = 0.5000-0.1443 0.5103 ( 21736 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9003 -14.9003 -14.8901 -14.8901 -10.9143 -10.9143 -10.4162 -10.4162 -10.3667 -10.3667 -10.3499 -10.3499 -10.3270 -10.3270 -10.2667 -10.2667 -3.7050 -3.7050 -3.6743 -3.6743 -2.3706 -2.3706 -2.2756 -2.2756 -2.2592 -2.2592 -2.2307 -2.2307 -0.3006 -0.3006 0.0627 0.0627 0.1330 0.1330 0.3928 0.3928 0.4720 0.4720 0.5336 0.5336 0.5835 0.5835 0.6298 0.6298 0.6926 0.6926 1.6138 1.6138 1.6766 1.6766 1.7655 1.7655 1.7906 1.7906 2.0644 2.0644 2.0828 2.0828 2.1499 2.1499 2.1951 2.1951 2.5037 2.5037 4.9111 4.9111 5.1032 5.1032 5.1516 5.1516 6.6002 6.6002 7.0568 7.0568 10.2944 10.2944 10.4053 10.4053 k = 0.5000-0.1263 0.5231 ( 21718 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8998 -14.8998 -14.8906 -14.8906 -10.9140 -10.9140 -10.4200 -10.4200 -10.3659 -10.3659 -10.3507 -10.3507 -10.3216 -10.3216 -10.2686 -10.2686 -3.7035 -3.7035 -3.6757 -3.6757 -2.3659 -2.3659 -2.2795 -2.2795 -2.2611 -2.2611 -2.2308 -2.2308 -0.2949 -0.2949 0.0535 0.0535 0.1476 0.1476 0.3858 0.3858 0.4529 0.4529 0.5408 0.5408 0.5831 0.5831 0.6417 0.6417 0.6852 0.6852 1.6193 1.6193 1.6979 1.6979 1.7574 1.7574 1.7883 1.7883 2.0488 2.0488 2.0834 2.0834 2.1461 2.1461 2.2129 2.2129 2.4902 2.4902 4.9212 4.9212 5.0942 5.0942 5.1507 5.1507 6.6137 6.6137 7.0451 7.0451 10.3172 10.3172 10.4517 10.4517 k = 0.5000-0.1083 0.5358 ( 21730 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8992 -14.8992 -14.8912 -14.8912 -10.9137 -10.9137 -10.4234 -10.4234 -10.3650 -10.3650 -10.3515 -10.3515 -10.3164 -10.3164 -10.2709 -10.2709 -3.7020 -3.7020 -3.6772 -3.6772 -2.3608 -2.3608 -2.2842 -2.2842 -2.2625 -2.2625 -2.2309 -2.2309 -0.2892 -0.2892 0.0444 0.0444 0.1637 0.1637 0.3794 0.3794 0.4328 0.4328 0.5487 0.5487 0.5830 0.5830 0.6503 0.6503 0.6793 0.6793 1.6258 1.6258 1.7186 1.7186 1.7501 1.7501 1.7862 1.7862 2.0313 2.0313 2.0837 2.0837 2.1428 2.1428 2.2322 2.2322 2.4754 2.4754 4.9321 4.9321 5.0841 5.0841 5.1501 5.1501 6.6275 6.6275 7.0332 7.0332 10.3423 10.3423 10.5032 10.5032 k = 0.5000-0.0902 0.5486 ( 21748 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8986 -14.8986 -14.8918 -14.8918 -10.9134 -10.9134 -10.4263 -10.4263 -10.3641 -10.3641 -10.3524 -10.3524 -10.3113 -10.3113 -10.2733 -10.2733 -3.7004 -3.7004 -3.6787 -3.6787 -2.3553 -2.3553 -2.2896 -2.2896 -2.2635 -2.2635 -2.2310 -2.2310 -0.2837 -0.2837 0.0357 0.0357 0.1810 0.1810 0.3729 0.3729 0.4129 0.4129 0.5571 0.5571 0.5831 0.5831 0.6519 0.6519 0.6785 0.6785 1.6331 1.6331 1.7292 1.7292 1.7524 1.7524 1.7850 1.7850 2.0123 2.0123 2.0837 2.0837 2.1400 2.1400 2.2526 2.2526 2.4594 2.4594 4.9437 4.9437 5.0733 5.0733 5.1496 5.1496 6.6410 6.6410 7.0214 7.0214 10.3694 10.3694 10.5598 10.5598 k = 0.5000-0.0722 0.5613 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8980 -14.8980 -14.8924 -14.8924 -10.9131 -10.9131 -10.4287 -10.4287 -10.3632 -10.3632 -10.3534 -10.3534 -10.3065 -10.3065 -10.2760 -10.2760 -3.6988 -3.6988 -3.6803 -3.6803 -2.3495 -2.3495 -2.2954 -2.2954 -2.2643 -2.2643 -2.2310 -2.2310 -0.2787 -0.2787 0.0279 0.0279 0.1994 0.1994 0.3643 0.3643 0.3953 0.3953 0.5660 0.5660 0.5833 0.5833 0.6461 0.6461 0.6832 0.6832 1.6412 1.6412 1.7232 1.7232 1.7677 1.7677 1.7875 1.7875 1.9922 1.9922 2.0836 2.0836 2.1377 2.1377 2.2736 2.2736 2.4422 2.4422 4.9558 4.9558 5.0617 5.0617 5.1492 5.1492 6.6536 6.6536 7.0103 7.0103 10.3986 10.3986 10.6212 10.6212 k = 0.5000-0.0541 0.5741 ( 21758 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8973 -14.8973 -14.8931 -14.8931 -10.9129 -10.9129 -10.4306 -10.4306 -10.3622 -10.3622 -10.3543 -10.3543 -10.3018 -10.3018 -10.2790 -10.2790 -3.6973 -3.6973 -3.6818 -3.6818 -2.3436 -2.3436 -2.3015 -2.3015 -2.2648 -2.2648 -2.2311 -2.2311 -0.2744 -0.2744 0.0214 0.0214 0.2188 0.2188 0.3506 0.3506 0.3836 0.3836 0.5750 0.5750 0.5839 0.5839 0.6373 0.6373 0.6888 0.6888 1.6500 1.6500 1.7136 1.7136 1.7743 1.7743 1.8021 1.8021 1.9716 1.9716 2.0834 2.0834 2.1359 2.1359 2.2949 2.2949 2.4241 2.4241 4.9683 4.9683 5.0497 5.0497 5.1489 5.1489 6.6645 6.6645 7.0006 7.0006 10.4295 10.4295 10.6397 10.6397 k = 0.5000-0.0361 0.5869 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8938 -14.8938 -10.9127 -10.9127 -10.4320 -10.4320 -10.3613 -10.3613 -10.3552 -10.3552 -10.2974 -10.2974 -10.2822 -10.2822 -3.6959 -3.6959 -3.6831 -3.6831 -2.3377 -2.3377 -2.3075 -2.3075 -2.2651 -2.2651 -2.2312 -2.2312 -0.2711 -0.2711 0.0164 0.0164 0.2386 0.2386 0.3321 0.3321 0.3779 0.3779 0.5815 0.5815 0.5874 0.5874 0.6273 0.6273 0.6934 0.6934 1.6591 1.6591 1.7035 1.7035 1.7747 1.7747 1.8222 1.8222 1.9516 1.9516 2.0832 2.0832 2.1346 2.1346 2.3159 2.3159 2.4055 2.4055 4.9808 4.9808 5.0375 5.0375 5.1488 5.1488 6.6731 6.6731 6.9929 6.9929 10.4619 10.4619 10.6031 10.6031 k = 0.5000-0.0180 0.5996 ( 21738 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8959 -14.8959 -14.8945 -14.8945 -10.9126 -10.9126 -10.4328 -10.4328 -10.3606 -10.3606 -10.3559 -10.3559 -10.2932 -10.2932 -10.2856 -10.2856 -3.6948 -3.6948 -3.6841 -3.6841 -2.3323 -2.3323 -2.3130 -2.3130 -2.2653 -2.2653 -2.2312 -2.2312 -0.2690 -0.2690 0.0133 0.0133 0.2576 0.2576 0.3130 0.3130 0.3753 0.3753 0.5827 0.5827 0.5965 0.5965 0.6170 0.6170 0.6963 0.6963 1.6682 1.6682 1.6938 1.6938 1.7745 1.7745 1.8396 1.8396 1.9350 1.9350 2.0831 2.0831 2.1338 2.1338 2.3356 2.3356 2.3873 2.3873 4.9925 4.9925 5.0259 5.0259 5.1486 5.1486 6.6785 6.6785 6.9880 6.9880 10.4958 10.4958 10.5667 10.5667 k = 0.5000-0.0000 0.6124 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8952 -14.8952 -14.8952 -14.8952 -10.9126 -10.9126 -10.4331 -10.4331 -10.3604 -10.3604 -10.3561 -10.3561 -10.2894 -10.2894 -10.2892 -10.2892 -3.6944 -3.6944 -3.6845 -3.6845 -2.3296 -2.3296 -2.3157 -2.3157 -2.2654 -2.2654 -2.2312 -2.2312 -0.2682 -0.2682 0.0123 0.0123 0.2685 0.2685 0.3020 0.3020 0.3745 0.3745 0.5829 0.5829 0.6065 0.6065 0.6068 0.6068 0.6973 0.6973 1.6736 1.6736 1.6881 1.6881 1.7743 1.7743 1.8471 1.8471 1.9277 1.9277 2.0831 2.0831 2.1335 2.1335 2.3469 2.3469 2.3765 2.3765 4.9992 4.9992 5.0193 5.0193 5.1486 5.1486 6.6804 6.6804 6.9863 6.9863 10.5288 10.5288 10.5329 10.5329 k = 0.5000-0.0000 0.6124 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8952 -14.8952 -14.8952 -14.8952 -10.9126 -10.9126 -10.4331 -10.4331 -10.3604 -10.3604 -10.3561 -10.3561 -10.2894 -10.2894 -10.2892 -10.2892 -3.6944 -3.6944 -3.6845 -3.6845 -2.3296 -2.3296 -2.3157 -2.3157 -2.2654 -2.2654 -2.2312 -2.2312 -0.2682 -0.2682 0.0123 0.0123 0.2685 0.2685 0.3020 0.3020 0.3745 0.3745 0.5829 0.5829 0.6065 0.6065 0.6068 0.6068 0.6973 0.6973 1.6736 1.6736 1.6881 1.6881 1.7743 1.7743 1.8471 1.8471 1.9277 1.9277 2.0831 2.0831 2.1335 2.1335 2.3469 2.3469 2.3765 2.3765 4.9992 4.9992 5.0193 5.0193 5.1486 5.1486 6.6804 6.6804 6.9863 6.9863 10.5288 10.5288 10.5329 10.5329 k = 0.4886 0.0197 0.6124 ( 21745 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8957 -14.8957 -14.8947 -14.8947 -10.9126 -10.9126 -10.4330 -10.4330 -10.3604 -10.3604 -10.3559 -10.3559 -10.2921 -10.2921 -10.2866 -10.2866 -3.6947 -3.6947 -3.6844 -3.6844 -2.3313 -2.3313 -2.3144 -2.3144 -2.2654 -2.2654 -2.2313 -2.2313 -0.2690 -0.2690 0.0130 0.0130 0.2625 0.2625 0.3088 0.3088 0.3746 0.3746 0.5828 0.5828 0.5987 0.5987 0.6145 0.6145 0.6975 0.6975 1.6702 1.6702 1.6910 1.6910 1.7749 1.7749 1.8432 1.8432 1.9313 1.9313 2.0839 2.0839 2.1345 2.1345 2.3401 2.3401 2.3829 2.3829 4.9953 4.9953 5.0232 5.0232 5.1484 5.1484 6.6800 6.6800 6.9871 6.9871 10.5057 10.5057 10.5532 10.5532 k = 0.4773 0.0394 0.6124 ( 21763 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8962 -14.8962 -14.8943 -14.8943 -10.9127 -10.9127 -10.4327 -10.4327 -10.3605 -10.3605 -10.3555 -10.3555 -10.2950 -10.2950 -10.2841 -10.2841 -3.6954 -3.6954 -3.6842 -3.6842 -2.3349 -2.3349 -2.3121 -2.3121 -2.2653 -2.2653 -2.2315 -2.2315 -0.2711 -0.2711 0.0152 0.0152 0.2513 0.2513 0.3220 0.3220 0.3747 0.3747 0.5825 0.5825 0.5907 0.5907 0.6222 0.6222 0.6980 0.6980 1.6638 1.6638 1.6958 1.6958 1.7767 1.7767 1.8338 1.8338 1.9393 1.9393 2.0864 2.0864 2.1377 2.1377 2.3269 2.3269 2.3951 2.3951 4.9876 4.9876 5.0311 5.0311 5.1477 5.1477 6.6788 6.6788 6.9892 6.9892 10.4826 10.4826 10.5673 10.5673 k = 0.4659 0.0590 0.6124 ( 21755 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8939 -14.8939 -10.9129 -10.9129 -10.4323 -10.4323 -10.3604 -10.3604 -10.3549 -10.3549 -10.2980 -10.2980 -10.2819 -10.2819 -3.6963 -3.6963 -3.6839 -3.6839 -2.3391 -2.3391 -2.3100 -2.3100 -2.2651 -2.2651 -2.2318 -2.2318 -0.2743 -0.2743 0.0185 0.0185 0.2399 0.2399 0.3358 0.3358 0.3752 0.3752 0.5808 0.5808 0.5844 0.5844 0.6298 0.6298 0.6984 0.6984 1.6569 1.6569 1.6998 1.6998 1.7797 1.7797 1.8224 1.8224 1.9480 1.9480 2.0904 2.0904 2.1430 2.1430 2.3121 2.3121 2.4079 2.4079 4.9791 4.9791 5.0399 5.0399 5.1464 5.1464 6.6768 6.6768 6.9925 6.9925 10.4615 10.4615 10.5719 10.5719 k = 0.4545 0.0787 0.6124 ( 21751 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8970 -14.8970 -14.8935 -14.8935 -10.9130 -10.9130 -10.4318 -10.4318 -10.3601 -10.3601 -10.3543 -10.3543 -10.3010 -10.3010 -10.2799 -10.2799 -3.6973 -3.6973 -3.6837 -3.6837 -2.3432 -2.3432 -2.3084 -2.3084 -2.2647 -2.2647 -2.2320 -2.2320 -0.2781 -0.2781 0.0227 0.0227 0.2296 0.2296 0.3476 0.3476 0.3774 0.3774 0.5752 0.5752 0.5826 0.5826 0.6370 0.6370 0.6987 0.6987 1.6500 1.6500 1.7026 1.7026 1.7830 1.7830 1.8116 1.8116 1.9556 1.9556 2.0959 2.0959 2.1502 2.1502 2.2967 2.2967 2.4203 2.4203 4.9708 4.9708 5.0489 5.0489 5.1447 5.1447 6.6744 6.6744 6.9967 6.9967 10.4426 10.4426 10.5670 10.5670 k = 0.4432 0.0984 0.6124 ( 21751 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8973 -14.8973 -14.8932 -14.8932 -10.9132 -10.9132 -10.4313 -10.4313 -10.3596 -10.3596 -10.3537 -10.3537 -10.3038 -10.3038 -10.2781 -10.2781 -3.6983 -3.6983 -3.6836 -3.6836 -2.3471 -2.3471 -2.3075 -2.3075 -2.2642 -2.2642 -2.2321 -2.2321 -0.2822 -0.2822 0.0273 0.0273 0.2205 0.2205 0.3543 0.3543 0.3833 0.3833 0.5694 0.5694 0.5819 0.5819 0.6437 0.6437 0.6988 0.6988 1.6437 1.6437 1.7043 1.7043 1.7841 1.7841 1.8046 1.8046 1.9613 1.9613 2.1028 2.1028 2.1586 2.1586 2.2812 2.2812 2.4316 2.4316 4.9630 4.9630 5.0577 5.0577 5.1425 5.1425 6.6717 6.6717 7.0012 7.0012 10.4262 10.4262 10.5546 10.5546 k = 0.4318 0.1181 0.6124 ( 21757 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8976 -14.8976 -14.8929 -14.8929 -10.9134 -10.9134 -10.4308 -10.4308 -10.3590 -10.3590 -10.3531 -10.3531 -10.3066 -10.3066 -10.2765 -10.2765 -3.6993 -3.6993 -3.6835 -3.6835 -2.3505 -2.3505 -2.3072 -2.3072 -2.2635 -2.2635 -2.2322 -2.2322 -0.2864 -0.2864 0.0321 0.0321 0.2129 0.2129 0.3560 0.3560 0.3927 0.3927 0.5645 0.5645 0.5811 0.5811 0.6497 0.6497 0.6986 0.6986 1.6379 1.6379 1.7052 1.7052 1.7795 1.7795 1.8045 1.8045 1.9653 1.9653 2.1108 2.1108 2.1676 2.1676 2.2659 2.2659 2.4415 2.4415 4.9561 4.9561 5.0661 5.0661 5.1399 5.1399 6.6689 6.6689 7.0059 7.0059 10.4123 10.4123 10.5300 10.5300 k = 0.4205 0.1378 0.6124 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8978 -14.8978 -14.8927 -14.8927 -10.9136 -10.9136 -10.4303 -10.4303 -10.3582 -10.3582 -10.3526 -10.3526 -10.3091 -10.3091 -10.2753 -10.2753 -3.7001 -3.7001 -3.6834 -3.6834 -2.3534 -2.3534 -2.3072 -2.3072 -2.2628 -2.2628 -2.2323 -2.2323 -0.2902 -0.2902 0.0366 0.0366 0.2068 0.2068 0.3552 0.3552 0.4028 0.4028 0.5607 0.5607 0.5802 0.5802 0.6550 0.6550 0.6983 0.6983 1.6330 1.6330 1.7055 1.7055 1.7724 1.7724 1.8083 1.8083 1.9678 1.9678 2.1196 2.1196 2.1762 2.1762 2.2511 2.2511 2.4499 2.4499 4.9501 4.9501 5.0740 5.0740 5.1369 5.1369 6.6663 6.6663 7.0102 7.0102 10.4012 10.4012 10.4912 10.4912 k = 0.4091 0.1575 0.6124 ( 21751 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8980 -14.8980 -14.8926 -14.8926 -10.9137 -10.9137 -10.4299 -10.4299 -10.3575 -10.3575 -10.3522 -10.3522 -10.3113 -10.3113 -10.2743 -10.2743 -3.7008 -3.7008 -3.6834 -3.6834 -2.3558 -2.3558 -2.3074 -2.3074 -2.2622 -2.2622 -2.2323 -2.2323 -0.2934 -0.2934 0.0405 0.0405 0.2020 0.2020 0.3535 0.3535 0.4117 0.4117 0.5578 0.5578 0.5794 0.5794 0.6593 0.6593 0.6978 0.6978 1.6290 1.6290 1.7056 1.7056 1.7659 1.7659 1.8124 1.8124 1.9693 1.9693 2.1288 2.1288 2.1837 2.1837 2.2372 2.2372 2.4566 2.4566 4.9453 4.9453 5.0811 5.0811 5.1337 5.1337 6.6640 6.6640 7.0140 7.0140 10.3928 10.3928 10.4592 10.4592 k = 0.3977 0.1771 0.6124 ( 21752 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8982 -14.8982 -14.8925 -14.8925 -10.9138 -10.9138 -10.4296 -10.4296 -10.3569 -10.3569 -10.3518 -10.3518 -10.3130 -10.3130 -10.2736 -10.2736 -3.7013 -3.7013 -3.6834 -3.6834 -2.3575 -2.3575 -2.3076 -2.3076 -2.2617 -2.2617 -2.2323 -2.2323 -0.2958 -0.2958 0.0435 0.0435 0.1987 0.1987 0.3519 0.3519 0.4186 0.4186 0.5558 0.5558 0.5787 0.5787 0.6625 0.6625 0.6974 0.6974 1.6260 1.6260 1.7055 1.7055 1.7609 1.7609 1.8159 1.8159 1.9701 1.9701 2.1377 2.1377 2.1896 2.1896 2.2249 2.2249 2.4615 2.4615 4.9417 4.9417 5.0869 5.0869 5.1307 5.1307 6.6623 6.6623 7.0168 7.0168 10.3874 10.3874 10.4354 10.4354 k = 0.3864 0.1968 0.6124 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4295 -10.4295 -10.3565 -10.3565 -10.3516 -10.3516 -10.3140 -10.3140 -10.2732 -10.2732 -3.7016 -3.7016 -3.6835 -3.6835 -2.3585 -2.3585 -2.3078 -2.3078 -2.2613 -2.2613 -2.2323 -2.2323 -0.2973 -0.2973 0.0454 0.0454 0.1967 0.1967 0.3508 0.3508 0.4230 0.4230 0.5547 0.5547 0.5782 0.5782 0.6645 0.6645 0.6971 0.6971 1.6242 1.6242 1.7054 1.7054 1.7578 1.7578 1.8181 1.8181 1.9704 1.9704 2.1446 2.1446 2.1933 2.1933 2.2159 2.2159 2.4644 2.4644 4.9396 4.9396 5.0910 5.0910 5.1283 5.1283 6.6612 6.6612 7.0186 7.0186 10.3847 10.3847 10.4205 10.4205 k = 0.3750 0.2165 0.6124 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4294 -10.4294 -10.3563 -10.3563 -10.3515 -10.3515 -10.3144 -10.3144 -10.2730 -10.2730 -3.7017 -3.7017 -3.6835 -3.6835 -2.3589 -2.3589 -2.3079 -2.3079 -2.2612 -2.2612 -2.2323 -2.2323 -0.2978 -0.2978 0.0461 0.0461 0.1960 0.1960 0.3503 0.3503 0.4244 0.4244 0.5543 0.5543 0.5781 0.5781 0.6652 0.6652 0.6969 0.6969 1.6236 1.6236 1.7054 1.7054 1.7568 1.7568 1.8189 1.8189 1.9705 1.9705 2.1474 2.1474 2.1947 2.1947 2.2123 2.2123 2.4654 2.4654 4.9388 4.9388 5.0925 5.0925 5.1274 5.1274 6.6608 6.6608 7.0192 7.0192 10.3840 10.3840 10.4153 10.4153 k = 0.3750 0.2165 0.6124 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4294 -10.4294 -10.3563 -10.3563 -10.3515 -10.3515 -10.3144 -10.3144 -10.2730 -10.2730 -3.7017 -3.7017 -3.6835 -3.6835 -2.3589 -2.3589 -2.3079 -2.3079 -2.2612 -2.2612 -2.2323 -2.2323 -0.2978 -0.2978 0.0461 0.0461 0.1960 0.1960 0.3503 0.3503 0.4244 0.4244 0.5543 0.5543 0.5781 0.5781 0.6652 0.6652 0.6969 0.6969 1.6236 1.6236 1.7054 1.7054 1.7568 1.7568 1.8189 1.8189 1.9705 1.9705 2.1474 2.1474 2.1947 2.1947 2.2123 2.2123 2.4654 2.4654 4.9388 4.9388 5.0925 5.0925 5.1274 5.1274 6.6608 6.6608 7.0192 7.0192 10.3840 10.3840 10.4153 10.4153 k = 0.3636 0.2099 0.5938 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8976 -14.8976 -14.8932 -14.8932 -10.9139 -10.9139 -10.4320 -10.4320 -10.3550 -10.3550 -10.3510 -10.3510 -10.3103 -10.3103 -10.2754 -10.2754 -3.7008 -3.7008 -3.6866 -3.6866 -2.3553 -2.3553 -2.3173 -2.3173 -2.2630 -2.2630 -2.2337 -2.2337 -0.2985 -0.2985 0.0423 0.0423 0.2178 0.2178 0.3429 0.3429 0.4079 0.4079 0.5589 0.5589 0.5786 0.5786 0.6574 0.6574 0.7132 0.7132 1.6286 1.6286 1.6930 1.6930 1.7811 1.7811 1.8230 1.8230 1.9487 1.9487 2.1605 2.1605 2.2014 2.2014 2.2263 2.2263 2.4519 2.4519 4.9485 4.9485 5.0855 5.0855 5.1221 5.1221 6.6809 6.6809 7.0069 7.0069 10.4017 10.4017 10.4388 10.4388 k = 0.3523 0.2034 0.5753 ( 21750 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8968 -14.8968 -14.8941 -14.8941 -10.9140 -10.9140 -10.4341 -10.4341 -10.3550 -10.3550 -10.3491 -10.3491 -10.3064 -10.3064 -10.2780 -10.2780 -3.7005 -3.7005 -3.6897 -3.6897 -2.3527 -2.3527 -2.3268 -2.3268 -2.2652 -2.2652 -2.2356 -2.2356 -0.3011 -0.3011 0.0404 0.0404 0.2402 0.2402 0.3368 0.3368 0.3925 0.3925 0.5628 0.5628 0.5796 0.5796 0.6494 0.6494 0.7293 0.7293 1.6339 1.6339 1.6806 1.6806 1.8038 1.8038 1.8286 1.8286 1.9291 1.9291 2.1740 2.1740 2.2085 2.2085 2.2410 2.2410 2.4386 2.4386 4.9581 4.9581 5.0781 5.0781 5.1166 5.1166 6.7017 6.7017 6.9949 6.9949 10.3861 10.3861 10.4132 10.4132 k = 0.3409 0.1968 0.5567 ( 21764 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8960 -14.8960 -14.8950 -14.8950 -10.9143 -10.9143 -10.4355 -10.4355 -10.3555 -10.3555 -10.3464 -10.3464 -10.3028 -10.3028 -10.2807 -10.2807 -3.7014 -3.7014 -3.6922 -3.6922 -2.3528 -2.3528 -2.3346 -2.3346 -2.2679 -2.2679 -2.2380 -2.2380 -0.3058 -0.3058 0.0406 0.0406 0.2623 0.2623 0.3327 0.3327 0.3791 0.3791 0.5660 0.5660 0.5811 0.5811 0.6416 0.6416 0.7445 0.7445 1.6393 1.6393 1.6688 1.6688 1.8200 1.8200 1.8379 1.8379 1.9147 1.9147 2.1877 2.1877 2.2159 2.2159 2.2564 2.2564 2.4259 2.4259 4.9674 4.9674 5.0706 5.0706 5.1110 5.1110 6.7231 6.7231 6.9835 6.9835 10.3312 10.3312 10.4193 10.4193 k = 0.3295 0.1903 0.5381 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8960 -14.8960 -14.8952 -14.8952 -10.9146 -10.9146 -10.4364 -10.4364 -10.3562 -10.3562 -10.3435 -10.3435 -10.2994 -10.2994 -10.2835 -10.2835 -3.7043 -3.7043 -3.6934 -3.6934 -2.3588 -2.3588 -2.3376 -2.3376 -2.2714 -2.2714 -2.2407 -2.2407 -0.3127 -0.3127 0.0430 0.0430 0.2814 0.2814 0.3322 0.3322 0.3688 0.3688 0.5684 0.5684 0.5830 0.5830 0.6342 0.6342 0.7588 0.7588 1.6441 1.6441 1.6587 1.6587 1.8284 1.8284 1.8465 1.8465 1.9116 1.9116 2.2014 2.2014 2.2236 2.2236 2.2724 2.2724 2.4142 2.4142 4.9763 4.9763 5.0630 5.0630 5.1052 5.1052 6.7449 6.7449 6.9727 6.9727 10.2737 10.2737 10.4226 10.4226 k = 0.3182 0.1837 0.5196 ( 21760 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8970 -14.8970 -14.8944 -14.8944 -10.9152 -10.9152 -10.4366 -10.4366 -10.3569 -10.3569 -10.3404 -10.3404 -10.2963 -10.2963 -10.2864 -10.2864 -3.7089 -3.7089 -3.6935 -3.6935 -2.3694 -2.3694 -2.3372 -2.3372 -2.2761 -2.2761 -2.2435 -2.2435 -0.3218 -0.3218 0.0477 0.0477 0.2932 0.2932 0.3360 0.3360 0.3651 0.3651 0.5701 0.5701 0.5853 0.5853 0.6273 0.6273 0.7719 0.7719 1.6425 1.6425 1.6560 1.6560 1.8340 1.8340 1.8452 1.8452 1.9241 1.9241 2.2145 2.2145 2.2319 2.2319 2.2888 2.2888 2.4038 2.4038 4.9846 4.9846 5.0554 5.0554 5.0993 5.0993 6.7670 6.7670 6.9629 6.9629 10.2142 10.2142 10.4234 10.4234 k = 0.3068 0.1771 0.5010 ( 21734 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8981 -14.8981 -14.8935 -14.8935 -10.9159 -10.9159 -10.4363 -10.4363 -10.3575 -10.3575 -10.3371 -10.3371 -10.2935 -10.2935 -10.2893 -10.2893 -3.7144 -3.7144 -3.6934 -3.6934 -2.3817 -2.3817 -2.3362 -2.3362 -2.2822 -2.2822 -2.2464 -2.2464 -0.3331 -0.3331 0.0548 0.0548 0.2972 0.2972 0.3371 0.3371 0.3754 0.3754 0.5713 0.5713 0.5878 0.5878 0.6211 0.6211 0.7836 0.7836 1.6344 1.6344 1.6611 1.6611 1.8374 1.8374 1.8399 1.8399 1.9460 1.9460 2.2262 2.2262 2.2416 2.2416 2.3054 2.3054 2.3952 2.3952 4.9922 4.9922 5.0480 5.0480 5.0933 5.0933 6.7892 6.7892 6.9542 6.9542 10.1533 10.1533 10.4218 10.4218 k = 0.2955 0.1706 0.4825 ( 21758 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8993 -14.8993 -14.8927 -14.8927 -10.9167 -10.9167 -10.4354 -10.4354 -10.3581 -10.3581 -10.3338 -10.3338 -10.2926 -10.2926 -10.2907 -10.2907 -3.7206 -3.7206 -3.6933 -3.6933 -2.3949 -2.3949 -2.3355 -2.3355 -2.2899 -2.2899 -2.2492 -2.2492 -0.3463 -0.3463 0.0640 0.0640 0.2976 0.2976 0.3348 0.3348 0.3961 0.3961 0.5720 0.5720 0.5907 0.5907 0.6156 0.6156 0.7938 0.7938 1.6263 1.6263 1.6677 1.6677 1.8314 1.8314 1.8440 1.8440 1.9712 1.9712 2.2355 2.2355 2.2535 2.2535 2.3222 2.3222 2.3888 2.3888 4.9989 4.9989 5.0408 5.0408 5.0873 5.0873 6.8112 6.8112 6.9467 6.9467 10.0913 10.0913 10.4176 10.4176 k = 0.2841 0.1640 0.4639 ( 21750 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9005 -14.9005 -14.8918 -14.8918 -10.9177 -10.9177 -10.4339 -10.4339 -10.3586 -10.3586 -10.3304 -10.3304 -10.2955 -10.2955 -10.2884 -10.2884 -3.7274 -3.7274 -3.6933 -3.6933 -2.4086 -2.4086 -2.3354 -2.3354 -2.2992 -2.2992 -2.2519 -2.2519 -0.3614 -0.3614 0.0753 0.0753 0.2971 0.2971 0.3331 0.3331 0.4199 0.4199 0.5722 0.5722 0.5938 0.5938 0.6110 0.6110 0.8023 0.8023 1.6195 1.6195 1.6748 1.6748 1.8273 1.8273 1.8483 1.8483 1.9974 1.9974 2.2429 2.2429 2.2670 2.2670 2.3389 2.3389 2.3849 2.3849 5.0044 5.0044 5.0342 5.0342 5.0812 5.0812 6.8331 6.8331 6.9406 6.9406 10.0285 10.0285 10.4079 10.4079 k = 0.2727 0.1575 0.4454 ( 21763 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9017 -14.9017 -14.8909 -14.8909 -10.9189 -10.9189 -10.4319 -10.4319 -10.3590 -10.3590 -10.3270 -10.3270 -10.2986 -10.2986 -10.2862 -10.2862 -3.7348 -3.7348 -3.6935 -3.6935 -2.4226 -2.4226 -2.3362 -2.3362 -2.3099 -2.3099 -2.2546 -2.2546 -0.3781 -0.3781 0.0884 0.0884 0.2968 0.2968 0.3337 0.3337 0.4439 0.4439 0.5720 0.5720 0.5971 0.5971 0.6076 0.6076 0.8089 0.8089 1.6144 1.6144 1.6823 1.6823 1.8265 1.8265 1.8523 1.8523 2.0237 2.0237 2.2494 2.2494 2.2811 2.2811 2.3554 2.3554 2.3838 2.3838 5.0081 5.0081 5.0288 5.0288 5.0751 5.0751 6.8546 6.8546 6.9360 6.9360 9.9651 9.9651 10.3215 10.3215 k = 0.2614 0.1509 0.4268 ( 21755 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9029 -14.9029 -14.8901 -14.8901 -10.9201 -10.9201 -10.4294 -10.4294 -10.3593 -10.3593 -10.3236 -10.3236 -10.3015 -10.3015 -10.2842 -10.2842 -3.7425 -3.7425 -3.6939 -3.6939 -2.4369 -2.4369 -2.3388 -2.3388 -2.3209 -2.3209 -2.2575 -2.2575 -0.3961 -0.3961 0.1034 0.1034 0.2970 0.2970 0.3367 0.3367 0.4669 0.4669 0.5716 0.5716 0.5996 0.5996 0.6067 0.6067 0.8137 0.8137 1.6111 1.6111 1.6899 1.6899 1.8294 1.8294 1.8559 1.8559 2.0498 2.0498 2.2558 2.2558 2.2954 2.2954 2.3709 2.3709 2.3862 2.3862 5.0087 5.0087 5.0257 5.0257 5.0690 5.0690 6.8757 6.8757 6.9330 6.9330 9.9013 9.9013 10.2147 10.2147 k = 0.2500 0.1443 0.4082 ( 21745 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9042 -14.9042 -14.8892 -14.8892 -10.9215 -10.9215 -10.4264 -10.4264 -10.3595 -10.3595 -10.3205 -10.3205 -10.3043 -10.3043 -10.2823 -10.2823 -3.7507 -3.7507 -3.6946 -3.6946 -2.4513 -2.4513 -2.3461 -2.3461 -2.3293 -2.3293 -2.2607 -2.2607 -0.4153 -0.4153 0.1199 0.1199 0.2977 0.2977 0.3424 0.3424 0.4880 0.4880 0.5711 0.5711 0.5995 0.5995 0.6099 0.6099 0.8164 0.8164 1.6100 1.6100 1.6978 1.6978 1.8359 1.8359 1.8590 1.8590 2.0754 2.0754 2.2624 2.2624 2.3096 2.3096 2.3830 2.3830 2.3941 2.3941 5.0059 5.0059 5.0254 5.0254 5.0631 5.0631 6.8961 6.8961 6.9316 6.9316 9.8374 9.8374 10.1104 10.1104 k = 0.2386 0.1378 0.3897 ( 21735 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9055 -14.9055 -14.8884 -14.8884 -10.9230 -10.9230 -10.4230 -10.4230 -10.3596 -10.3596 -10.3179 -10.3179 -10.3064 -10.3064 -10.2807 -10.2807 -3.7593 -3.7593 -3.6954 -3.6954 -2.4658 -2.4658 -2.3593 -2.3593 -2.3335 -2.3335 -2.2643 -2.2643 -0.4355 -0.4355 0.1378 0.1378 0.2991 0.2991 0.3507 0.3507 0.5062 0.5062 0.5708 0.5708 0.5989 0.5989 0.6157 0.6157 0.8172 0.8172 1.6110 1.6110 1.7058 1.7058 1.8456 1.8456 1.8620 1.8620 2.1003 2.1003 2.2698 2.2698 2.3235 2.3235 2.3914 2.3914 2.4078 2.4078 5.0013 5.0013 5.0261 5.0261 5.0574 5.0574 6.9159 6.9159 6.9318 6.9318 9.7735 9.7735 10.0093 10.0093 k = 0.2273 0.1312 0.3711 ( 21745 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9068 -14.9068 -14.8875 -14.8875 -10.9246 -10.9246 -10.4192 -10.4192 -10.3596 -10.3596 -10.3169 -10.3169 -10.3069 -10.3069 -10.2791 -10.2791 -3.7681 -3.7681 -3.6966 -3.6966 -2.4803 -2.4803 -2.3756 -2.3756 -2.3362 -2.3362 -2.2684 -2.2684 -0.4564 -0.4564 0.1570 0.1570 0.3013 0.3013 0.3613 0.3613 0.5211 0.5211 0.5708 0.5708 0.5992 0.5992 0.6232 0.6232 0.8160 0.8160 1.6143 1.6143 1.7139 1.7139 1.8551 1.8551 1.8683 1.8683 2.1243 2.1243 2.2783 2.2783 2.3369 2.3369 2.4001 2.4001 2.4228 2.4228 4.9962 4.9962 5.0264 5.0264 5.0520 5.0520 6.9333 6.9333 6.9354 6.9354 9.7099 9.7099 9.9116 9.9116 k = 0.2159 0.1247 0.3526 ( 21753 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9081 -14.9081 -14.8867 -14.8867 -10.9263 -10.9263 -10.4151 -10.4151 -10.3595 -10.3595 -10.3181 -10.3181 -10.3053 -10.3053 -10.2777 -10.2777 -3.7771 -3.7771 -3.6979 -3.6979 -2.4947 -2.4947 -2.3935 -2.3935 -2.3386 -2.3386 -2.2731 -2.2731 -0.4778 -0.4778 0.1772 0.1772 0.3042 0.3042 0.3739 0.3739 0.5320 0.5320 0.5711 0.5711 0.6008 0.6008 0.6321 0.6321 0.8129 0.8129 1.6196 1.6196 1.7220 1.7220 1.8586 1.8586 1.8835 1.8835 2.1475 2.1475 2.2882 2.2882 2.3498 2.3498 2.4100 2.4100 2.4378 2.4378 4.9913 4.9913 5.0256 5.0256 5.0472 5.0472 6.9372 6.9372 6.9533 6.9533 9.6466 9.6466 9.8175 9.8175 k = 0.2045 0.1181 0.3340 ( 21759 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9094 -14.9094 -14.8859 -14.8859 -10.9280 -10.9280 -10.4108 -10.4108 -10.3594 -10.3594 -10.3203 -10.3203 -10.3026 -10.3026 -10.2764 -10.2764 -3.7864 -3.7864 -3.6995 -3.6995 -2.5088 -2.5088 -2.4123 -2.4123 -2.3410 -2.3410 -2.2782 -2.2782 -0.4996 -0.4996 0.1982 0.1982 0.3079 0.3079 0.3883 0.3883 0.5392 0.5392 0.5715 0.5715 0.6040 0.6040 0.6421 0.6421 0.8078 0.8078 1.6270 1.6270 1.7301 1.7301 1.8589 1.8589 1.9045 1.9045 2.1697 2.1697 2.2994 2.2994 2.3622 2.3622 2.4213 2.4213 2.4523 2.4523 4.9867 4.9867 5.0235 5.0235 5.0429 5.0429 6.9424 6.9424 6.9706 6.9706 9.5840 9.5840 9.7272 9.7272 k = 0.1932 0.1115 0.3155 ( 21763 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9107 -14.9107 -14.8852 -14.8852 -10.9297 -10.9297 -10.4063 -10.4063 -10.3591 -10.3591 -10.3229 -10.3229 -10.2995 -10.2995 -10.2753 -10.2753 -3.7957 -3.7957 -3.7012 -3.7012 -2.5227 -2.5227 -2.4318 -2.4318 -2.3435 -2.3435 -2.2840 -2.2840 -0.5215 -0.5215 0.2198 0.2198 0.3125 0.3125 0.4040 0.4040 0.5436 0.5436 0.5719 0.5719 0.6086 0.6086 0.6529 0.6529 0.8010 0.8010 1.6361 1.6361 1.7380 1.7380 1.8582 1.8582 1.9292 1.9292 2.1910 2.1910 2.3119 2.3119 2.3742 2.3742 2.4336 2.4336 2.4664 2.4664 4.9825 4.9825 5.0202 5.0202 5.0390 5.0390 6.9491 6.9491 6.9870 6.9870 9.5223 9.5223 9.6408 9.6408 k = 0.1818 0.1050 0.2969 ( 21755 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9119 -14.9119 -14.8844 -14.8844 -10.9315 -10.9315 -10.4017 -10.4017 -10.3587 -10.3587 -10.3257 -10.3257 -10.2963 -10.2963 -10.2742 -10.2742 -3.8051 -3.8051 -3.7031 -3.7031 -2.5363 -2.5363 -2.4518 -2.4518 -2.3460 -2.3460 -2.2901 -2.2901 -0.5434 -0.5434 0.2418 0.2418 0.3179 0.3179 0.4205 0.4205 0.5461 0.5461 0.5722 0.5722 0.6146 0.6146 0.6640 0.6640 0.7926 0.7926 1.6467 1.6467 1.7456 1.7456 1.8567 1.8567 1.9567 1.9567 2.2114 2.2114 2.3253 2.3253 2.3860 2.3860 2.4465 2.4465 2.4799 2.4799 4.9787 4.9787 5.0160 5.0160 5.0353 5.0353 6.9572 6.9572 7.0023 7.0023 9.4617 9.4617 9.5584 9.5584 k = 0.1705 0.0984 0.2784 ( 21779 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9132 -14.9132 -14.8837 -14.8837 -10.9332 -10.9332 -10.3970 -10.3970 -10.3583 -10.3583 -10.3284 -10.3284 -10.2931 -10.2931 -10.2732 -10.2732 -3.8144 -3.8144 -3.7052 -3.7052 -2.5494 -2.5494 -2.4718 -2.4718 -2.3485 -2.3485 -2.2967 -2.2967 -0.5650 -0.5650 0.2639 0.2639 0.3242 0.3242 0.4374 0.4374 0.5474 0.5474 0.5723 0.5723 0.6216 0.6216 0.6749 0.6749 0.7827 0.7827 1.6585 1.6585 1.7531 1.7531 1.8549 1.8549 1.9865 1.9865 2.2309 2.2309 2.3392 2.3392 2.3977 2.3977 2.4599 2.4599 2.4928 2.4928 4.9754 4.9754 5.0113 5.0113 5.0315 5.0315 6.9667 6.9667 7.0167 7.0167 9.4024 9.4024 9.4803 9.4803 k = 0.1591 0.0919 0.2598 ( 21781 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9144 -14.9144 -14.8831 -14.8831 -10.9349 -10.9349 -10.3922 -10.3922 -10.3578 -10.3578 -10.3310 -10.3310 -10.2900 -10.2900 -10.2723 -10.2723 -3.8237 -3.8237 -3.7074 -3.7074 -2.5620 -2.5620 -2.4917 -2.4917 -2.3511 -2.3511 -2.3036 -2.3036 -0.5862 -0.5862 0.2859 0.2859 0.3314 0.3314 0.4540 0.4540 0.5480 0.5480 0.5726 0.5726 0.6295 0.6295 0.6853 0.6853 0.7715 0.7715 1.6713 1.6713 1.7601 1.7601 1.8528 1.8528 2.0179 2.0179 2.2497 2.2497 2.3533 2.3533 2.4095 2.4095 2.4735 2.4735 2.5051 2.5051 4.9725 4.9725 5.0064 5.0064 5.0274 5.0274 6.9773 6.9773 7.0300 7.0300 9.3449 9.3449 9.4066 9.4066 k = 0.1477 0.0853 0.2412 ( 21775 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9155 -14.9155 -14.8824 -14.8824 -10.9366 -10.9366 -10.3876 -10.3876 -10.3572 -10.3572 -10.3335 -10.3335 -10.2870 -10.2870 -10.2714 -10.2714 -3.8327 -3.8327 -3.7096 -3.7096 -2.5741 -2.5741 -2.5113 -2.5113 -2.3536 -2.3536 -2.3108 -2.3108 -0.6068 -0.6068 0.3074 0.3074 0.3397 0.3397 0.4699 0.4699 0.5481 0.5481 0.5730 0.5730 0.6386 0.6386 0.6949 0.6949 0.7594 0.7594 1.6848 1.6848 1.7668 1.7668 1.8508 1.8508 2.0501 2.0501 2.2678 2.2678 2.3671 2.3671 2.4217 2.4217 2.4871 2.4871 2.5167 2.5167 4.9700 4.9700 5.0015 5.0015 5.0229 5.0229 6.9888 6.9888 7.0422 7.0422 9.2894 9.2894 9.3373 9.3373 k = 0.1364 0.0787 0.2227 ( 21783 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9166 -14.9166 -14.8819 -14.8819 -10.9382 -10.9382 -10.3830 -10.3830 -10.3566 -10.3566 -10.3360 -10.3360 -10.2841 -10.2841 -10.2706 -10.2706 -3.8415 -3.8415 -3.7119 -3.7119 -2.5856 -2.5856 -2.5304 -2.5304 -2.3560 -2.3560 -2.3180 -2.3180 -0.6266 -0.6266 0.3279 0.3279 0.3491 0.3491 0.4846 0.4846 0.5479 0.5479 0.5738 0.5738 0.6486 0.6486 0.7033 0.7033 0.7469 0.7469 1.6986 1.6986 1.7730 1.7730 1.8489 1.8489 2.0823 2.0823 2.2855 2.2855 2.3801 2.3801 2.4342 2.4342 2.5004 2.5004 2.5276 2.5276 4.9680 4.9680 4.9966 4.9966 5.0179 5.0179 7.0012 7.0012 7.0534 7.0534 9.2362 9.2362 9.2726 9.2726 k = 0.1250 0.0722 0.2041 ( 21783 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9177 -14.9177 -14.8813 -14.8813 -10.9398 -10.9398 -10.3786 -10.3786 -10.3560 -10.3560 -10.3382 -10.3382 -10.2814 -10.2814 -10.2699 -10.2699 -3.8499 -3.8499 -3.7142 -3.7142 -2.5964 -2.5964 -2.5487 -2.5487 -2.3584 -2.3584 -2.3251 -2.3251 -0.6455 -0.6455 0.3463 0.3463 0.3606 0.3606 0.4979 0.4979 0.5473 0.5473 0.5748 0.5748 0.6596 0.6596 0.7088 0.7088 0.7358 0.7358 1.7126 1.7126 1.7787 1.7787 1.8474 1.8474 2.1137 2.1137 2.3030 2.3030 2.3921 2.3921 2.4470 2.4470 2.5133 2.5133 2.5379 2.5379 4.9664 4.9664 4.9919 4.9919 5.0126 5.0126 7.0141 7.0141 7.0636 7.0636 9.1857 9.1857 9.2127 9.2127 k = 0.1136 0.0656 0.1856 ( 21805 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9187 -14.9187 -14.8808 -14.8808 -10.9412 -10.9412 -10.3744 -10.3744 -10.3554 -10.3554 -10.3403 -10.3403 -10.2789 -10.2789 -10.2693 -10.2693 -3.8579 -3.8579 -3.7164 -3.7164 -2.6064 -2.6064 -2.5660 -2.5660 -2.3606 -2.3606 -2.3322 -2.3322 -0.6632 -0.6632 0.3613 0.3613 0.3752 0.3752 0.5093 0.5093 0.5464 0.5464 0.5761 0.5761 0.6708 0.6708 0.7069 0.7069 0.7314 0.7314 1.7263 1.7263 1.7837 1.7837 1.8463 1.8463 2.1434 2.1434 2.3206 2.3206 2.4031 2.4031 2.4597 2.4597 2.5258 2.5258 2.5475 2.5475 4.9651 4.9651 4.9873 4.9873 5.0071 5.0071 7.0272 7.0272 7.0726 7.0726 9.1382 9.1382 9.1575 9.1575 k = 0.1023 0.0590 0.1670 ( 21805 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9196 -14.9196 -14.8804 -14.8804 -10.9425 -10.9425 -10.3705 -10.3705 -10.3547 -10.3547 -10.3422 -10.3422 -10.2766 -10.2766 -10.2687 -10.2687 -3.8654 -3.8654 -3.7186 -3.7186 -2.6157 -2.6157 -2.5823 -2.5823 -2.3627 -2.3627 -2.3390 -2.3390 -0.6798 -0.6798 0.3739 0.3739 0.3916 0.3916 0.5191 0.5191 0.5454 0.5454 0.5776 0.5776 0.6791 0.6791 0.6997 0.6997 0.7346 0.7346 1.7395 1.7395 1.7881 1.7881 1.8458 1.8458 2.1706 2.1706 2.3384 2.3384 2.4128 2.4128 2.4722 2.4722 2.5377 2.5377 2.5563 2.5563 4.9641 4.9641 4.9831 4.9831 5.0016 5.0016 7.0404 7.0404 7.0807 7.0807 9.0939 9.0939 9.1073 9.1073 k = 0.0909 0.0525 0.1485 ( 21801 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9204 -14.9204 -14.8800 -14.8800 -10.9438 -10.9438 -10.3670 -10.3670 -10.3541 -10.3541 -10.3439 -10.3439 -10.2744 -10.2744 -10.2681 -10.2681 -3.8723 -3.8723 -3.7207 -3.7207 -2.6241 -2.6241 -2.5972 -2.5972 -2.3646 -2.3646 -2.3454 -2.3454 -0.6949 -0.6949 0.3861 0.3861 0.4077 0.4077 0.5270 0.5270 0.5442 0.5442 0.5794 0.5794 0.6739 0.6739 0.7032 0.7032 0.7397 0.7397 1.7520 1.7520 1.7917 1.7917 1.8460 1.8460 2.1946 2.1946 2.3565 2.3565 2.4215 2.4215 2.4839 2.4839 2.5489 2.5489 2.5645 2.5645 4.9633 4.9633 4.9791 4.9791 4.9960 4.9960 7.0533 7.0533 7.0878 7.0878 9.0532 9.0532 9.0622 9.0622 k = 0.0795 0.0459 0.1299 ( 21833 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9212 -14.9212 -14.8796 -14.8796 -10.9449 -10.9449 -10.3638 -10.3638 -10.3535 -10.3535 -10.3454 -10.3454 -10.2725 -10.2725 -10.2677 -10.2677 -3.8786 -3.8786 -3.7226 -3.7226 -2.6317 -2.6317 -2.6107 -2.6107 -2.3664 -2.3664 -2.3513 -2.3513 -0.7086 -0.7086 0.3985 0.3985 0.4226 0.4226 0.5330 0.5330 0.5432 0.5432 0.5812 0.5812 0.6604 0.6604 0.7141 0.7141 0.7449 0.7449 1.7633 1.7633 1.7946 1.7946 1.8469 1.8469 2.2151 2.2151 2.3747 2.3747 2.4292 2.4292 2.4947 2.4947 2.5592 2.5592 2.5719 2.5719 4.9627 4.9627 4.9754 4.9754 4.9908 4.9908 7.0657 7.0657 7.0939 7.0939 9.0165 9.0165 9.0221 9.0221 k = 0.0682 0.0394 0.1113 ( 21845 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9218 -14.9218 -14.8793 -14.8793 -10.9459 -10.9459 -10.3611 -10.3611 -10.3528 -10.3528 -10.3466 -10.3466 -10.2708 -10.2708 -10.2672 -10.2672 -3.8841 -3.8841 -3.7243 -3.7243 -2.6383 -2.6383 -2.6227 -2.6227 -2.3679 -2.3679 -2.3566 -2.3566 -0.7207 -0.7207 0.4111 0.4111 0.4358 0.4358 0.5360 0.5360 0.5435 0.5435 0.5831 0.5831 0.6457 0.6457 0.7255 0.7255 0.7495 0.7495 1.7734 1.7734 1.7968 1.7968 1.8485 1.8485 2.2320 2.2320 2.3926 2.3926 2.4358 2.4358 2.5041 2.5041 2.5687 2.5687 2.5784 2.5784 4.9623 4.9623 4.9721 4.9721 4.9860 4.9860 7.0771 7.0771 7.0991 7.0991 8.9839 8.9839 8.9872 8.9872 k = 0.0568 0.0328 0.0928 ( 21857 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9224 -14.9224 -14.8790 -14.8790 -10.9467 -10.9467 -10.3590 -10.3590 -10.3522 -10.3522 -10.3476 -10.3476 -10.2694 -10.2694 -10.2669 -10.2669 -3.8890 -3.8890 -3.7259 -3.7259 -2.6439 -2.6439 -2.6329 -2.6329 -2.3693 -2.3693 -2.3613 -2.3613 -0.7311 -0.7311 0.4240 0.4240 0.4473 0.4473 0.5352 0.5352 0.5460 0.5460 0.5850 0.5850 0.6313 0.6313 0.7361 0.7361 0.7536 0.7536 1.7819 1.7819 1.7984 1.7984 1.8505 1.8505 2.2454 2.2454 2.4095 2.4095 2.4415 2.4415 2.5122 2.5122 2.5770 2.5770 2.5841 2.5841 4.9620 4.9620 4.9690 4.9690 4.9818 4.9818 7.0874 7.0874 7.1035 7.1035 8.9559 8.9559 8.9576 8.9576 k = 0.0455 0.0262 0.0742 ( 21855 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9229 -14.9229 -14.8788 -14.8788 -10.9474 -10.9474 -10.3574 -10.3574 -10.3514 -10.3514 -10.3483 -10.3483 -10.2682 -10.2682 -10.2666 -10.2666 -3.8930 -3.8930 -3.7272 -3.7272 -2.6486 -2.6486 -2.6415 -2.6415 -2.3704 -2.3704 -2.3652 -2.3652 -0.7397 -0.7397 0.4369 0.4369 0.4568 0.4568 0.5324 0.5324 0.5487 0.5487 0.5867 0.5867 0.6180 0.6180 0.7454 0.7454 0.7569 0.7569 1.7888 1.7888 1.7994 1.7994 1.8528 1.8528 2.2558 2.2558 2.4246 2.4246 2.4462 2.4462 2.5187 2.5187 2.5842 2.5842 2.5888 2.5888 4.9616 4.9616 4.9663 4.9663 4.9784 4.9784 7.0962 7.0962 7.1070 7.1070 8.9325 8.9325 8.9332 8.9333 k = 0.0341 0.0197 0.0557 ( 21859 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9233 -14.9233 -14.8786 -14.8786 -10.9479 -10.9479 -10.3565 -10.3565 -10.3506 -10.3506 -10.3488 -10.3488 -10.2673 -10.2673 -10.2664 -10.2664 -3.8961 -3.8961 -3.7282 -3.7282 -2.6522 -2.6522 -2.6482 -2.6482 -2.3713 -2.3713 -2.3683 -2.3683 -0.7464 -0.7464 0.4495 0.4495 0.4643 0.4643 0.5283 0.5283 0.5509 0.5509 0.5883 0.5883 0.6066 0.6066 0.7529 0.7529 0.7595 0.7595 1.7941 1.7941 1.8001 1.8001 1.8551 1.8551 2.2634 2.2634 2.4372 2.4372 2.4498 2.4498 2.5238 2.5238 2.5899 2.5899 2.5926 2.5926 4.9613 4.9613 4.9641 4.9641 4.9759 4.9759 7.1034 7.1034 7.1096 7.1096 8.9140 8.9140 8.9143 8.9143 k = 0.0227 0.0131 0.0371 ( 21863 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9235 -14.9235 -14.8785 -14.8785 -10.9483 -10.9483 -10.3560 -10.3560 -10.3500 -10.3500 -10.3491 -10.3491 -10.2666 -10.2666 -10.2662 -10.2662 -3.8984 -3.8984 -3.7289 -3.7289 -2.6549 -2.6549 -2.6531 -2.6531 -2.3719 -2.3719 -2.3706 -2.3706 -0.7513 -0.7513 0.4612 0.4612 0.4697 0.4697 0.5232 0.5232 0.5525 0.5525 0.5894 0.5894 0.5978 0.5978 0.7584 0.7584 0.7614 0.7614 1.7979 1.7979 1.8005 1.8005 1.8570 1.8570 2.2686 2.2686 2.4467 2.4467 2.4525 2.4525 2.5273 2.5273 2.5941 2.5941 2.5953 2.5953 4.9611 4.9611 4.9623 4.9623 4.9742 4.9742 7.1087 7.1087 7.1115 7.1115 8.9006 8.9006 8.9007 8.9007 k = 0.0114 0.0066 0.0186 ( 21867 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9237 -14.9237 -14.8784 -14.8784 -10.9486 -10.9486 -10.3557 -10.3557 -10.3495 -10.3495 -10.3493 -10.3493 -10.2662 -10.2662 -10.2661 -10.2661 -3.8998 -3.8998 -3.7294 -3.7294 -2.6564 -2.6564 -2.6560 -2.6560 -2.3723 -2.3723 -2.3719 -2.3719 -0.7542 -0.7542 0.4703 0.4703 0.4730 0.4730 0.5181 0.5181 0.5534 0.5534 0.5902 0.5902 0.5923 0.5923 0.7618 0.7618 0.7625 0.7625 1.8000 1.8000 1.8007 1.8007 1.8583 1.8583 2.2717 2.2717 2.4526 2.4526 2.4541 2.4541 2.5294 2.5294 2.5967 2.5967 2.5970 2.5970 4.9609 4.9609 4.9612 4.9612 4.9733 4.9733 7.1119 7.1119 7.1126 7.1126 8.8925 8.8925 8.8925 8.8925 k = 0.0000 0.0000 0.0000 ( 21883 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9237 -14.9237 -14.8784 -14.8784 -10.9486 -10.9486 -10.3557 -10.3557 -10.3493 -10.3493 -10.3493 -10.3493 -10.2661 -10.2661 -10.2661 -10.2661 -3.9003 -3.9003 -3.7295 -3.7295 -2.6570 -2.6570 -2.6570 -2.6570 -2.3724 -2.3724 -2.3724 -2.3724 -0.7552 -0.7552 0.4741 0.4741 0.4741 0.4741 0.5157 0.5157 0.5537 0.5537 0.5905 0.5905 0.5905 0.5905 0.7629 0.7629 0.7629 0.7629 1.8008 1.8008 1.8008 1.8008 1.8587 1.8587 2.2727 2.2727 2.4546 2.4546 2.4546 2.4546 2.5301 2.5301 2.5975 2.5975 2.5975 2.5975 4.9608 4.9608 4.9608 4.9608 4.9730 4.9730 7.1130 7.1130 7.1130 7.1130 8.8898 8.8898 8.8898 8.8898 k = 0.0000 0.0000 0.0000 ( 21883 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9237 -14.9237 -14.8784 -14.8784 -10.9486 -10.9486 -10.3557 -10.3557 -10.3493 -10.3493 -10.3493 -10.3493 -10.2661 -10.2661 -10.2661 -10.2661 -3.9003 -3.9003 -3.7295 -3.7295 -2.6570 -2.6570 -2.6570 -2.6570 -2.3724 -2.3724 -2.3724 -2.3724 -0.7552 -0.7552 0.4741 0.4741 0.4741 0.4741 0.5157 0.5157 0.5537 0.5537 0.5905 0.5905 0.5905 0.5905 0.7629 0.7629 0.7629 0.7629 1.8008 1.8008 1.8008 1.8008 1.8587 1.8587 2.2727 2.2727 2.4546 2.4546 2.4546 2.4546 2.5301 2.5301 2.5975 2.5975 2.5975 2.5975 4.9608 4.9608 4.9608 4.9608 4.9730 4.9730 7.1130 7.1130 7.1130 7.1130 8.8898 8.8898 8.8898 8.8898 k = 0.0185 0.0107 0.0076 ( 21871 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9237 -14.9237 -14.8784 -14.8784 -10.9486 -10.9486 -10.3557 -10.3557 -10.3495 -10.3495 -10.3493 -10.3493 -10.2661 -10.2661 -10.2661 -10.2661 -3.8998 -3.8998 -3.7294 -3.7294 -2.6565 -2.6565 -2.6560 -2.6560 -2.3723 -2.3723 -2.3719 -2.3719 -0.7542 -0.7542 0.4709 0.4709 0.4724 0.4724 0.5181 0.5181 0.5534 0.5534 0.5902 0.5902 0.5923 0.5923 0.7618 0.7618 0.7625 0.7625 1.8000 1.8000 1.8007 1.8007 1.8583 1.8583 2.2717 2.2717 2.4525 2.4525 2.4541 2.4541 2.5294 2.5294 2.5968 2.5968 2.5969 2.5969 4.9609 4.9609 4.9611 4.9611 4.9733 4.9733 7.1123 7.1123 7.1123 7.1123 8.8925 8.8925 8.8925 8.8925 k = 0.0370 0.0214 0.0151 ( 21865 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9235 -14.9235 -14.8785 -14.8785 -10.9483 -10.9483 -10.3560 -10.3560 -10.3500 -10.3500 -10.3491 -10.3491 -10.2664 -10.2664 -10.2664 -10.2664 -3.8984 -3.8984 -3.7289 -3.7289 -2.6550 -2.6550 -2.6530 -2.6530 -2.3720 -2.3720 -2.3705 -2.3705 -0.7513 -0.7513 0.4631 0.4631 0.4677 0.4677 0.5232 0.5232 0.5525 0.5525 0.5898 0.5898 0.5976 0.5976 0.7584 0.7584 0.7614 0.7614 1.7977 1.7977 1.8006 1.8006 1.8570 1.8570 2.2686 2.2686 2.4464 2.4464 2.4528 2.4528 2.5273 2.5273 2.5945 2.5945 2.5949 2.5949 4.9613 4.9613 4.9621 4.9621 4.9742 4.9742 7.1101 7.1101 7.1101 7.1101 8.9006 8.9006 8.9006 8.9006 k = 0.0556 0.0321 0.0227 ( 21841 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9233 -14.9233 -14.8786 -14.8786 -10.9479 -10.9479 -10.3566 -10.3566 -10.3505 -10.3505 -10.3488 -10.3488 -10.2668 -10.2668 -10.2668 -10.2668 -3.8962 -3.8962 -3.7282 -3.7282 -2.6525 -2.6525 -2.6480 -2.6480 -2.3715 -2.3715 -2.3681 -2.3681 -0.7465 -0.7465 0.4533 0.4533 0.4607 0.4607 0.5271 0.5271 0.5509 0.5509 0.5904 0.5904 0.6056 0.6056 0.7529 0.7529 0.7595 0.7595 1.7940 1.7940 1.8001 1.8001 1.8553 1.8553 2.2634 2.2634 2.4367 2.4367 2.4506 2.4506 2.5239 2.5239 2.5907 2.5907 2.5918 2.5918 4.9619 4.9619 4.9637 4.9637 4.9757 4.9757 7.1065 7.1065 7.1066 7.1066 8.9140 8.9140 8.9141 8.9141 k = 0.0741 0.0428 0.0302 ( 21847 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9229 -14.9229 -14.8788 -14.8788 -10.9474 -10.9474 -10.3578 -10.3578 -10.3509 -10.3509 -10.3484 -10.3484 -10.2674 -10.2674 -10.2674 -10.2674 -3.8930 -3.8930 -3.7272 -3.7272 -2.6490 -2.6490 -2.6412 -2.6412 -2.3708 -2.3708 -2.3648 -2.3648 -0.7397 -0.7397 0.4426 0.4426 0.4521 0.4521 0.5273 0.5273 0.5487 0.5487 0.5935 0.5935 0.6155 0.6155 0.7455 0.7455 0.7569 0.7569 1.7889 1.7889 1.7989 1.7989 1.8534 1.8534 2.2556 2.2556 2.4238 2.4238 2.4475 2.4475 2.5190 2.5190 2.5855 2.5855 2.5874 2.5874 4.9626 4.9626 4.9659 4.9659 4.9779 4.9779 7.1016 7.1016 7.1018 7.1018 8.9326 8.9326 8.9328 8.9328 k = 0.0926 0.0535 0.0378 ( 21853 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9224 -14.9224 -14.8790 -14.8790 -10.9467 -10.9467 -10.3599 -10.3599 -10.3510 -10.3510 -10.3479 -10.3479 -10.2682 -10.2682 -10.2681 -10.2681 -3.8890 -3.8890 -3.7259 -3.7259 -2.6446 -2.6446 -2.6325 -2.6325 -2.3700 -2.3700 -2.3606 -2.3606 -0.7312 -0.7312 0.4317 0.4317 0.4425 0.4425 0.5225 0.5225 0.5457 0.5457 0.5999 0.5999 0.6267 0.6267 0.7363 0.7363 0.7536 0.7536 1.7824 1.7824 1.7965 1.7965 1.8521 1.8521 2.2448 2.2448 2.4086 2.4086 2.4436 2.4436 2.5126 2.5126 2.5790 2.5790 2.5818 2.5818 4.9634 4.9634 4.9686 4.9686 4.9806 4.9806 7.0955 7.0955 7.0958 7.0958 8.9563 8.9563 8.9567 8.9567 k = 0.1111 0.0642 0.0454 ( 21847 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9219 -14.9219 -14.8793 -14.8793 -10.9459 -10.9459 -10.3626 -10.3626 -10.3507 -10.3507 -10.3472 -10.3472 -10.2691 -10.2691 -10.2690 -10.2690 -3.8842 -3.8842 -3.7244 -3.7244 -2.6393 -2.6393 -2.6219 -2.6219 -2.3691 -2.3691 -2.3556 -2.3556 -0.7209 -0.7209 0.4208 0.4208 0.4324 0.4324 0.5130 0.5130 0.5419 0.5419 0.6087 0.6087 0.6387 0.6387 0.7259 0.7259 0.7496 0.7496 1.7748 1.7748 1.7923 1.7923 1.8518 1.8518 2.2304 2.2304 2.3920 2.3920 2.4391 2.4391 2.5050 2.5050 2.5712 2.5712 2.5752 2.5752 4.9643 4.9643 4.9718 4.9718 4.9840 4.9840 7.0883 7.0883 7.0887 7.0887 8.9850 8.9850 8.9856 8.9856 k = 0.1296 0.0748 0.0529 ( 21842 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9212 -14.9212 -14.8796 -14.8796 -10.9449 -10.9449 -10.3660 -10.3660 -10.3501 -10.3501 -10.3465 -10.3465 -10.2702 -10.2702 -10.2700 -10.2700 -3.8787 -3.8787 -3.7227 -3.7227 -2.6330 -2.6330 -2.6097 -2.6097 -2.3681 -2.3681 -2.3499 -2.3499 -0.7089 -0.7089 0.4101 0.4101 0.4221 0.4221 0.4999 0.4999 0.5372 0.5372 0.6189 0.6189 0.6513 0.6513 0.7147 0.7147 0.7450 0.7450 1.7662 1.7662 1.7861 1.7861 1.8530 1.8530 2.2117 2.2117 2.3751 2.3751 2.4338 2.4338 2.4960 2.4960 2.5622 2.5622 2.5677 2.5677 4.9652 4.9652 4.9754 4.9754 4.9878 4.9878 7.0801 7.0801 7.0807 7.0807 9.0184 9.0184 9.0192 9.0192 k = 0.1481 0.0855 0.0605 ( 21821 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9204 -14.9204 -14.8800 -14.8800 -10.9438 -10.9438 -10.3698 -10.3698 -10.3494 -10.3494 -10.3456 -10.3456 -10.2714 -10.2714 -10.2712 -10.2712 -3.8725 -3.8725 -3.7209 -3.7209 -2.6260 -2.6260 -2.5958 -2.5958 -2.3671 -2.3671 -2.3434 -2.3434 -0.6954 -0.6954 0.3997 0.3997 0.4118 0.4118 0.4840 0.4840 0.5314 0.5314 0.6290 0.6290 0.6640 0.6640 0.7037 0.7037 0.7397 0.7397 1.7566 1.7566 1.7780 1.7780 1.8558 1.8558 2.1883 2.1883 2.3590 2.3590 2.4280 2.4280 2.4858 2.4858 2.5522 2.5522 2.5592 2.5592 4.9662 4.9662 4.9794 4.9794 4.9921 4.9921 7.0712 7.0712 7.0720 7.0720 9.0563 9.0563 9.0575 9.0575 k = 0.1667 0.0962 0.0680 ( 21797 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9196 -14.9196 -14.8804 -14.8804 -10.9426 -10.9426 -10.3741 -10.3741 -10.3485 -10.3485 -10.3446 -10.3446 -10.2728 -10.2728 -10.2725 -10.2725 -3.8656 -3.8656 -3.7189 -3.7189 -2.6182 -2.6182 -2.5804 -2.5804 -2.3661 -2.3661 -2.3364 -2.3364 -0.6804 -0.6804 0.3897 0.3897 0.4016 0.4016 0.4658 0.4658 0.5244 0.5244 0.6373 0.6373 0.6769 0.6769 0.6946 0.6946 0.7340 0.7340 1.7464 1.7464 1.7682 1.7682 1.8599 1.8599 2.1601 2.1601 2.3442 2.3442 2.4217 2.4217 2.4745 2.4745 2.5413 2.5413 2.5500 2.5500 4.9671 4.9671 4.9837 4.9837 4.9967 4.9967 7.0617 7.0617 7.0626 7.0626 9.0984 9.0984 9.1000 9.1000 k = 0.1852 0.1069 0.0756 ( 21791 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9187 -14.9187 -14.8809 -14.8809 -10.9412 -10.9412 -10.3788 -10.3788 -10.3474 -10.3474 -10.3436 -10.3436 -10.2743 -10.2743 -10.2739 -10.2739 -3.8583 -3.8583 -3.7169 -3.7169 -2.6097 -2.6097 -2.5637 -2.5637 -2.3651 -2.3651 -2.3288 -2.3288 -0.6642 -0.6642 0.3800 0.3800 0.3916 0.3916 0.4459 0.4459 0.5158 0.5158 0.6409 0.6409 0.6894 0.6894 0.6905 0.6905 0.7280 0.7280 1.7356 1.7356 1.7571 1.7571 1.8652 1.8652 2.1272 2.1272 2.3309 2.3309 2.4150 2.4150 2.4621 2.4621 2.5296 2.5296 2.5401 2.5401 4.9680 4.9680 4.9881 4.9881 5.0016 5.0016 7.0517 7.0517 7.0528 7.0528 9.1446 9.1446 9.1467 9.1467 k = 0.2037 0.1176 0.0832 ( 21785 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9177 -14.9177 -14.8814 -14.8814 -10.9398 -10.9398 -10.3837 -10.3837 -10.3463 -10.3463 -10.3424 -10.3424 -10.2759 -10.2759 -10.2755 -10.2755 -3.8504 -3.8504 -3.7149 -3.7149 -2.6005 -2.6005 -2.5458 -2.5458 -2.3643 -2.3643 -2.3208 -2.3208 -0.6469 -0.6469 0.3708 0.3708 0.3819 0.3819 0.4246 0.4246 0.5057 0.5057 0.6378 0.6378 0.6936 0.6936 0.7012 0.7012 0.7222 0.7222 1.7245 1.7245 1.7451 1.7451 1.8715 1.8715 2.0905 2.0905 2.3192 2.3192 2.4081 2.4081 2.4490 2.4490 2.5173 2.5173 2.5296 2.5296 4.9690 4.9690 4.9927 4.9927 5.0066 5.0066 7.0414 7.0414 7.0427 7.0427 9.1943 9.1943 9.1971 9.1971 k = 0.2222 0.1283 0.0907 ( 21779 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9166 -14.9166 -14.8820 -14.8820 -10.9383 -10.9383 -10.3888 -10.3888 -10.3450 -10.3450 -10.3411 -10.3411 -10.2777 -10.2777 -10.2772 -10.2772 -3.8421 -3.8421 -3.7129 -3.7129 -2.5907 -2.5907 -2.5268 -2.5268 -2.3637 -2.3637 -2.3126 -2.3126 -0.6287 -0.6287 0.3619 0.3619 0.3727 0.3727 0.4023 0.4023 0.4940 0.4940 0.6305 0.6305 0.7018 0.7018 0.7079 0.7079 0.7208 0.7208 1.7131 1.7131 1.7324 1.7324 1.8785 1.8785 2.0506 2.0506 2.3088 2.3088 2.4010 2.4010 2.4352 2.4352 2.5045 2.5045 2.5187 2.5187 4.9699 4.9699 4.9973 4.9973 5.0117 5.0117 7.0310 7.0310 7.0324 7.0324 9.2475 9.2475 9.2510 9.2510 k = 0.2407 0.1390 0.0983 ( 21770 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9155 -14.9155 -14.8826 -14.8826 -10.9367 -10.9367 -10.3941 -10.3941 -10.3436 -10.3436 -10.3397 -10.3397 -10.2796 -10.2796 -10.2789 -10.2789 -3.8336 -3.8336 -3.7110 -3.7110 -2.5804 -2.5804 -2.5069 -2.5069 -2.3633 -2.3633 -2.3043 -2.3043 -0.6099 -0.6099 0.3532 0.3532 0.3638 0.3638 0.3796 0.3796 0.4805 0.4805 0.6218 0.6218 0.7038 0.7038 0.7122 0.7122 0.7296 0.7296 1.7018 1.7018 1.7194 1.7194 1.8862 1.8862 2.0084 2.0084 2.2995 2.2995 2.3938 2.3938 2.4209 2.4209 2.4915 2.4915 2.5073 2.5073 4.9707 4.9707 5.0020 5.0020 5.0167 5.0167 7.0206 7.0206 7.0222 7.0222 9.3036 9.3036 9.3081 9.3081 k = 0.2593 0.1497 0.1058 ( 21776 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9143 -14.9143 -14.8833 -14.8833 -10.9350 -10.9350 -10.3995 -10.3995 -10.3421 -10.3421 -10.3382 -10.3382 -10.2815 -10.2815 -10.2808 -10.2808 -3.8248 -3.8248 -3.7092 -3.7092 -2.5697 -2.5697 -2.4864 -2.4864 -2.3632 -2.3632 -2.2959 -2.2959 -0.5906 -0.5906 0.3442 0.3442 0.3554 0.3554 0.3574 0.3574 0.4658 0.4658 0.6134 0.6134 0.6969 0.6969 0.7234 0.7234 0.7406 0.7406 1.6906 1.6906 1.7063 1.7063 1.8944 1.8944 1.9649 1.9649 2.2911 2.2911 2.3867 2.3867 2.4063 2.4063 2.4783 2.4783 2.4957 2.4957 4.9716 4.9716 5.0065 5.0065 5.0218 5.0218 7.0103 7.0103 7.0121 7.0121 9.3623 9.3623 9.3679 9.3679 k = 0.2778 0.1604 0.1134 ( 21779 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9130 -14.9130 -14.8840 -14.8840 -10.9334 -10.9334 -10.4049 -10.4049 -10.3405 -10.3405 -10.3366 -10.3366 -10.2836 -10.2836 -10.2828 -10.2828 -3.8159 -3.8159 -3.7077 -3.7077 -2.5587 -2.5587 -2.4655 -2.4655 -2.3635 -2.3635 -2.2877 -2.2877 -0.5712 -0.5712 0.3296 0.3296 0.3414 0.3414 0.3475 0.3475 0.4499 0.4499 0.6058 0.6058 0.6895 0.6895 0.7347 0.7347 0.7515 0.7515 1.6796 1.6796 1.6933 1.6933 1.9027 1.9027 1.9208 1.9208 2.2834 2.2834 2.3797 2.3797 2.3917 2.3917 2.4651 2.4651 2.4839 2.4839 4.9724 4.9724 5.0110 5.0110 5.0266 5.0266 7.0003 7.0003 7.0023 7.0023 9.4233 9.4233 9.4302 9.4302 k = 0.2963 0.1711 0.1210 ( 21767 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9117 -14.9117 -14.8848 -14.8848 -10.9317 -10.9317 -10.4102 -10.4102 -10.3388 -10.3388 -10.3350 -10.3350 -10.2857 -10.2857 -10.2849 -10.2849 -3.8069 -3.8069 -3.7064 -3.7064 -2.5474 -2.5474 -2.4443 -2.4443 -2.3641 -2.3641 -2.2798 -2.2798 -0.5519 -0.5519 0.3083 0.3083 0.3329 0.3329 0.3401 0.3401 0.4336 0.4336 0.5992 0.5992 0.6819 0.6819 0.7456 0.7456 0.7619 0.7619 1.6692 1.6692 1.6806 1.6806 1.8759 1.8759 1.9121 1.9121 2.2765 2.2765 2.3731 2.3731 2.3771 2.3771 2.4521 2.4521 2.4721 2.4721 4.9731 4.9731 5.0152 5.0152 5.0313 5.0313 6.9908 6.9908 6.9929 6.9929 9.4863 9.4863 9.4945 9.4945 k = 0.3148 0.1818 0.1285 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9104 -14.9104 -14.8857 -14.8857 -10.9301 -10.9301 -10.4153 -10.4153 -10.3370 -10.3370 -10.3332 -10.3332 -10.2880 -10.2880 -10.2870 -10.2870 -3.7980 -3.7980 -3.7054 -3.7054 -2.5361 -2.5361 -2.4232 -2.4232 -2.3653 -2.3653 -2.2724 -2.2724 -0.5332 -0.5332 0.2869 0.2869 0.3259 0.3259 0.3333 0.3333 0.4172 0.4172 0.5935 0.5935 0.6745 0.6745 0.7561 0.7561 0.7717 0.7717 1.6592 1.6592 1.6684 1.6684 1.8324 1.8324 1.9209 1.9209 2.2703 2.2703 2.3628 2.3628 2.3669 2.3669 2.4393 2.4393 2.4604 2.4604 4.9738 4.9738 5.0192 5.0192 5.0357 5.0357 6.9817 6.9817 6.9840 6.9840 9.5507 9.5507 9.5605 9.5605 k = 0.3333 0.1925 0.1361 ( 21737 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9091 -14.9091 -14.8866 -14.8866 -10.9285 -10.9285 -10.4202 -10.4202 -10.3352 -10.3352 -10.3314 -10.3314 -10.2902 -10.2902 -10.2892 -10.2892 -3.7892 -3.7892 -3.7048 -3.7048 -2.5246 -2.5246 -2.4023 -2.4023 -2.3669 -2.3669 -2.2658 -2.2658 -0.5153 -0.5153 0.2664 0.2664 0.3195 0.3195 0.3270 0.3270 0.4012 0.4012 0.5887 0.5887 0.6673 0.6673 0.7660 0.7660 0.7808 0.7808 1.6499 1.6499 1.6569 1.6569 1.7903 1.7903 1.9298 1.9298 2.2647 2.2647 2.3490 2.3490 2.3613 2.3613 2.4270 2.4270 2.4489 2.4489 4.9744 4.9744 5.0229 5.0229 5.0398 5.0398 6.9732 6.9732 6.9757 6.9757 9.6162 9.6162 9.6278 9.6278 k = 0.3519 0.2031 0.1436 ( 21734 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9077 -14.9077 -14.8875 -14.8875 -10.9270 -10.9270 -10.4249 -10.4249 -10.3332 -10.3332 -10.3295 -10.3295 -10.2925 -10.2925 -10.2915 -10.2915 -3.7806 -3.7806 -3.7046 -3.7046 -2.5133 -2.5133 -2.3820 -2.3820 -2.3690 -2.3690 -2.2599 -2.2599 -0.4984 -0.4984 0.2475 0.2475 0.3134 0.3134 0.3214 0.3214 0.3863 0.3863 0.5847 0.5847 0.6605 0.6605 0.7750 0.7750 0.7891 0.7891 1.6414 1.6414 1.6462 1.6462 1.7502 1.7502 1.9384 1.9384 2.2599 2.2599 2.3359 2.3359 2.3564 2.3564 2.4152 2.4152 2.4379 2.4379 4.9750 4.9750 5.0263 5.0263 5.0435 5.0435 6.9655 6.9655 6.9680 6.9680 9.6824 9.6824 9.6960 9.6960 k = 0.3704 0.2138 0.1512 ( 21743 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9063 -14.9063 -14.8885 -14.8885 -10.9255 -10.9255 -10.4292 -10.4292 -10.3312 -10.3312 -10.3275 -10.3275 -10.2949 -10.2949 -10.2938 -10.2938 -3.7722 -3.7722 -3.7049 -3.7049 -2.5022 -2.5022 -2.3717 -2.3717 -2.3624 -2.3624 -2.2551 -2.2551 -0.4830 -0.4830 0.2304 0.2304 0.3076 0.3076 0.3164 0.3164 0.3726 0.3726 0.5814 0.5814 0.6542 0.6542 0.7832 0.7832 0.7965 0.7965 1.6337 1.6337 1.6363 1.6363 1.7130 1.7130 1.9468 1.9468 2.2557 2.2557 2.3236 2.3236 2.3522 2.3522 2.4041 2.4041 2.4275 2.4275 4.9756 4.9756 5.0294 5.0294 5.0469 5.0469 6.9584 6.9584 6.9611 6.9611 9.7487 9.7487 9.7645 9.7645 k = 0.3889 0.2245 0.1588 ( 21749 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9049 -14.9049 -14.8895 -14.8895 -10.9242 -10.9242 -10.4330 -10.4330 -10.3292 -10.3292 -10.3255 -10.3255 -10.2972 -10.2972 -10.2961 -10.2961 -3.7643 -3.7643 -3.7056 -3.7056 -2.4915 -2.4915 -2.3748 -2.3748 -2.3438 -2.3438 -2.2515 -2.2515 -0.4693 -0.4693 0.2154 0.2154 0.3020 0.3020 0.3120 0.3120 0.3608 0.3608 0.5787 0.5787 0.6485 0.6485 0.7905 0.7905 0.8031 0.8031 1.6269 1.6269 1.6273 1.6273 1.6793 1.6793 1.9546 1.9546 2.2523 2.2523 2.3124 2.3124 2.3488 2.3488 2.3937 2.3937 2.4179 2.4179 4.9760 4.9760 5.0321 5.0321 5.0499 5.0499 6.9522 6.9522 6.9550 6.9550 9.8147 9.8147 9.8328 9.8328 k = 0.4074 0.2352 0.1663 ( 21746 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9035 -14.9035 -14.8906 -14.8906 -10.9231 -10.9231 -10.4364 -10.4364 -10.3272 -10.3272 -10.3234 -10.3234 -10.2995 -10.2995 -10.2984 -10.2984 -3.7567 -3.7567 -3.7069 -3.7069 -2.4813 -2.4813 -2.3784 -2.3784 -2.3264 -2.3264 -2.2494 -2.2494 -0.4575 -0.4575 0.2026 0.2026 0.2967 0.2967 0.3082 0.3082 0.3509 0.3509 0.5765 0.5765 0.6434 0.6434 0.7967 0.7967 0.8087 0.8087 1.6189 1.6189 1.6211 1.6211 1.6502 1.6502 1.9617 1.9617 2.2496 2.2496 2.3023 2.3023 2.3464 2.3464 2.3842 2.3842 2.4093 2.4093 4.9764 4.9764 5.0344 5.0344 5.0525 5.0525 6.9469 6.9469 6.9498 6.9498 9.8796 9.8796 9.9001 9.9001 k = 0.4259 0.2459 0.1739 ( 21710 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9021 -14.9021 -14.8918 -14.8918 -10.9221 -10.9221 -10.4392 -10.4392 -10.3252 -10.3252 -10.3213 -10.3213 -10.3017 -10.3017 -10.3006 -10.3006 -3.7498 -3.7498 -3.7086 -3.7086 -2.4719 -2.4719 -2.3822 -2.3822 -2.3105 -2.3105 -2.2487 -2.2487 -0.4477 -0.4477 0.1922 0.1922 0.2918 0.2918 0.3051 0.3051 0.3430 0.3430 0.5749 0.5749 0.6392 0.6392 0.8019 0.8019 0.8134 0.8134 1.6095 1.6095 1.6163 1.6163 1.6279 1.6279 1.9678 1.9678 2.2477 2.2477 2.2936 2.2936 2.3451 2.3451 2.3757 2.3757 2.4018 2.4018 4.9767 4.9767 5.0363 5.0363 5.0546 5.0546 6.9425 6.9425 6.9454 6.9454 9.9424 9.9424 9.9655 9.9655 k = 0.4444 0.2566 0.1814 ( 21737 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9008 -14.9008 -14.8929 -14.8929 -10.9213 -10.9213 -10.4415 -10.4415 -10.3233 -10.3233 -10.3193 -10.3193 -10.3038 -10.3038 -10.3028 -10.3028 -3.7434 -3.7434 -3.7108 -3.7108 -2.4636 -2.4636 -2.3861 -2.3861 -2.2963 -2.2963 -2.2498 -2.2498 -0.4401 -0.4401 0.1842 0.1842 0.2876 0.2876 0.3027 0.3027 0.3372 0.3372 0.5736 0.5736 0.6358 0.6358 0.8059 0.8059 0.8171 0.8171 1.5965 1.5965 1.6125 1.6125 1.6156 1.6156 1.9728 1.9728 2.2464 2.2464 2.2864 2.2864 2.3447 2.3447 2.3681 2.3681 2.3958 2.3958 4.9770 4.9770 5.0378 5.0378 5.0562 5.0562 6.9390 6.9390 6.9420 6.9420 10.0015 10.0015 10.0272 10.0272 k = 0.4630 0.2673 0.1890 ( 21725 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8994 -14.8994 -14.8942 -14.8942 -10.9207 -10.9207 -10.4431 -10.4431 -10.3216 -10.3216 -10.3174 -10.3174 -10.3057 -10.3057 -10.3049 -10.3049 -3.7380 -3.7380 -3.7132 -3.7132 -2.4568 -2.4568 -2.3896 -2.3896 -2.2838 -2.2838 -2.2527 -2.2527 -0.4347 -0.4347 0.1785 0.1785 0.2842 0.2842 0.3010 0.3010 0.3332 0.3332 0.5728 0.5728 0.6333 0.6333 0.8088 0.8088 0.8197 0.8197 1.5836 1.5836 1.6097 1.6097 1.6100 1.6100 1.9766 1.9766 2.2458 2.2458 2.2810 2.2810 2.3454 2.3454 2.3617 2.3617 2.3914 2.3914 4.9772 4.9772 5.0389 5.0389 5.0574 5.0574 6.9365 6.9365 6.9396 6.9396 10.0540 10.0540 10.0718 10.0718 k = 0.4815 0.2780 0.1966 ( 21716 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8981 -14.8981 -14.8954 -14.8954 -10.9204 -10.9204 -10.4441 -10.4441 -10.3203 -10.3203 -10.3158 -10.3158 -10.3070 -10.3070 -10.3065 -10.3065 -3.7339 -3.7339 -3.7154 -3.7154 -2.4523 -2.4523 -2.3921 -2.3921 -2.2732 -2.2732 -2.2574 -2.2574 -0.4314 -0.4314 0.1751 0.1751 0.2821 0.2821 0.2999 0.2999 0.3309 0.3309 0.5723 0.5723 0.6318 0.6318 0.8106 0.8106 0.8213 0.8213 1.5751 1.5751 1.6073 1.6073 1.6081 1.6081 1.9788 1.9788 2.2455 2.2455 2.2776 2.2776 2.3469 2.3469 2.3568 2.3568 2.3886 2.3886 4.9773 4.9773 5.0395 5.0395 5.0581 5.0581 6.9350 6.9350 6.9381 6.9381 10.0797 10.0797 10.0936 10.0936 k = 0.5000 0.2887 0.2041 ( 21710 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8970 -14.8970 -14.8965 -14.8965 -10.9203 -10.9203 -10.4445 -10.4445 -10.3199 -10.3199 -10.3151 -10.3151 -10.3075 -10.3075 -10.3072 -10.3072 -3.7322 -3.7322 -3.7165 -3.7165 -2.4507 -2.4507 -2.3931 -2.3931 -2.2661 -2.2661 -2.2625 -2.2625 -0.4303 -0.4303 0.1740 0.1740 0.2814 0.2814 0.2996 0.2996 0.3302 0.3302 0.5722 0.5722 0.6313 0.6313 0.8112 0.8112 0.8218 0.8218 1.5722 1.5722 1.6064 1.6064 1.6076 1.6076 1.9796 1.9796 2.2454 2.2454 2.2764 2.2764 2.3481 2.3481 2.3544 2.3544 2.3877 2.3877 4.9773 4.9773 5.0397 5.0397 5.0584 5.0584 6.9345 6.9345 6.9376 6.9376 10.0821 10.0821 10.1093 10.1093 k = 0.5000 0.2887 0.2041 ( 21710 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8970 -14.8970 -14.8965 -14.8965 -10.9203 -10.9203 -10.4445 -10.4445 -10.3199 -10.3199 -10.3151 -10.3151 -10.3075 -10.3075 -10.3072 -10.3072 -3.7322 -3.7322 -3.7165 -3.7165 -2.4507 -2.4507 -2.3931 -2.3931 -2.2661 -2.2661 -2.2625 -2.2625 -0.4303 -0.4303 0.1740 0.1740 0.2814 0.2814 0.2996 0.2996 0.3302 0.3302 0.5722 0.5722 0.6313 0.6313 0.8112 0.8112 0.8218 0.8218 1.5722 1.5722 1.6064 1.6064 1.6076 1.6076 1.9796 1.9796 2.2454 2.2454 2.2764 2.2764 2.3481 2.3481 2.3544 2.3544 2.3877 2.3877 4.9773 4.9773 5.0397 5.0397 5.0584 5.0584 6.9345 6.9345 6.9376 6.9376 10.0821 10.0821 10.1093 10.1094 k = 0.5066 0.2697 0.2149 ( 21711 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8965 -14.8965 -10.9202 -10.9202 -10.4444 -10.4444 -10.3204 -10.3204 -10.3159 -10.3159 -10.3068 -10.3068 -10.3067 -10.3067 -3.7320 -3.7320 -3.7163 -3.7163 -2.4501 -2.4501 -2.3927 -2.3927 -2.2662 -2.2662 -2.2623 -2.2623 -0.4295 -0.4295 0.1717 0.1717 0.2823 0.2823 0.3011 0.3011 0.3305 0.3305 0.5715 0.5715 0.6302 0.6302 0.8106 0.8106 0.8211 0.8211 1.5735 1.5735 1.6068 1.6068 1.6078 1.6078 1.9785 1.9785 2.2441 2.2441 2.2762 2.2762 2.3479 2.3479 2.3527 2.3527 2.3878 2.3878 4.9776 4.9776 5.0398 5.0398 5.0585 5.0585 6.9337 6.9337 6.9372 6.9372 10.0839 10.0839 10.1126 10.1126 k = 0.5132 0.2507 0.2256 ( 21722 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8965 -14.8965 -10.9201 -10.9201 -10.4442 -10.4442 -10.3219 -10.3219 -10.3178 -10.3178 -10.3057 -10.3057 -10.3052 -10.3052 -3.7314 -3.7314 -3.7159 -3.7159 -2.4483 -2.4483 -2.3915 -2.3915 -2.2667 -2.2667 -2.2615 -2.2615 -0.4271 -0.4271 0.1652 0.1652 0.2842 0.2842 0.3055 0.3055 0.3319 0.3319 0.5692 0.5692 0.6272 0.6272 0.8090 0.8090 0.8192 0.8192 1.5774 1.5774 1.6079 1.6079 1.6084 1.6084 1.9753 1.9753 2.2401 2.2401 2.2755 2.2755 2.3474 2.3474 2.3478 2.3478 2.3878 2.3878 4.9786 4.9786 5.0399 5.0399 5.0590 5.0590 6.9299 6.9299 6.9374 6.9374 10.0892 10.0892 10.1224 10.1224 k = 0.5197 0.2317 0.2364 ( 21709 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8964 -14.8964 -10.9199 -10.9199 -10.4440 -10.4440 -10.3240 -10.3240 -10.3201 -10.3201 -10.3043 -10.3043 -10.3032 -10.3032 -3.7304 -3.7304 -3.7151 -3.7151 -2.4454 -2.4454 -2.3896 -2.3896 -2.2672 -2.2672 -2.2605 -2.2605 -0.4233 -0.4233 0.1559 0.1559 0.2857 0.2857 0.3117 0.3117 0.3357 0.3357 0.5652 0.5652 0.6225 0.6225 0.8062 0.8062 0.8162 0.8162 1.5835 1.5835 1.6092 1.6092 1.6102 1.6102 1.9700 1.9700 2.2335 2.2335 2.2742 2.2742 2.3401 2.3401 2.3464 2.3464 2.3877 2.3877 4.9802 4.9802 5.0401 5.0401 5.0599 5.0599 6.9230 6.9230 6.9386 6.9386 10.0978 10.0978 10.1382 10.1382 k = 0.5263 0.2127 0.2471 ( 21718 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8968 -14.8968 -14.8964 -14.8964 -10.9196 -10.9196 -10.4436 -10.4436 -10.3265 -10.3265 -10.3226 -10.3226 -10.3030 -10.3030 -10.3011 -10.3011 -3.7290 -3.7290 -3.7141 -3.7141 -2.4414 -2.4414 -2.3869 -2.3869 -2.2677 -2.2677 -2.2594 -2.2594 -0.4179 -0.4179 0.1450 0.1450 0.2866 0.2866 0.3166 0.3166 0.3438 0.3438 0.5589 0.5589 0.6169 0.6169 0.8019 0.8019 0.8123 0.8123 1.5913 1.5913 1.6107 1.6107 1.6136 1.6136 1.9628 1.9628 2.2240 2.2240 2.2721 2.2721 2.3303 2.3303 2.3448 2.3448 2.3875 2.3875 4.9821 4.9821 5.0401 5.0401 5.0615 5.0615 6.9133 6.9133 6.9404 6.9404 10.1092 10.1092 10.1593 10.1593 k = 0.5329 0.1937 0.2578 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8967 -14.8967 -14.8963 -14.8963 -10.9193 -10.9193 -10.4432 -10.4432 -10.3292 -10.3292 -10.3252 -10.3252 -10.3019 -10.3019 -10.2990 -10.2990 -3.7273 -3.7273 -3.7128 -3.7128 -2.4363 -2.4363 -2.3835 -2.3835 -2.2681 -2.2681 -2.2581 -2.2581 -0.4112 -0.4112 0.1333 0.1333 0.2870 0.2870 0.3192 0.3192 0.3565 0.3565 0.5500 0.5500 0.6112 0.6112 0.7960 0.7960 0.8077 0.8077 1.5996 1.5996 1.6126 1.6126 1.6195 1.6195 1.9540 1.9540 2.2116 2.2116 2.2689 2.2689 2.3191 2.3191 2.3424 2.3424 2.3876 2.3876 4.9842 4.9842 5.0400 5.0400 5.0639 5.0639 6.9012 6.9012 6.9428 6.9428 10.1229 10.1229 10.1844 10.1844 k = 0.5395 0.1747 0.2686 ( 21748 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8967 -14.8967 -14.8962 -14.8962 -10.9189 -10.9189 -10.4426 -10.4426 -10.3320 -10.3320 -10.3277 -10.3277 -10.3009 -10.3009 -10.2968 -10.2968 -3.7252 -3.7252 -3.7113 -3.7113 -2.4303 -2.4303 -2.3796 -2.3796 -2.2685 -2.2685 -2.2567 -2.2567 -0.4032 -0.4032 0.1214 0.1214 0.2871 0.2871 0.3204 0.3204 0.3719 0.3719 0.5382 0.5382 0.6060 0.6060 0.7884 0.7884 0.8028 0.8028 1.6066 1.6066 1.6150 1.6150 1.6291 1.6291 1.9436 1.9436 2.1962 2.1962 2.2646 2.2646 2.3070 2.3070 2.3388 2.3388 2.3883 2.3883 4.9861 4.9861 5.0400 5.0400 5.0671 5.0671 6.8870 6.8870 6.9456 6.9456 10.1386 10.1386 10.2109 10.2109 k = 0.5461 0.1557 0.2793 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8961 -14.8961 -10.9185 -10.9185 -10.4420 -10.4420 -10.3349 -10.3349 -10.3302 -10.3302 -10.3003 -10.3003 -10.2946 -10.2946 -3.7229 -3.7229 -3.7095 -3.7095 -2.4234 -2.4234 -2.3751 -2.3751 -2.2687 -2.2687 -2.2552 -2.2552 -0.3942 -0.3942 0.1097 0.1097 0.2868 0.2868 0.3212 0.3212 0.3887 0.3887 0.5239 0.5239 0.6015 0.6015 0.7793 0.7793 0.7973 0.7973 1.6117 1.6117 1.6183 1.6183 1.6424 1.6424 1.9322 1.9322 2.1776 2.1776 2.2590 2.2590 2.2945 2.2945 2.3339 2.3339 2.3899 2.3899 4.9875 4.9875 5.0404 5.0404 5.0710 5.0710 6.8710 6.8710 6.9490 6.9490 10.1558 10.1558 10.2373 10.2398 k = 0.5526 0.1367 0.2901 ( 21758 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8960 -14.8960 -10.9180 -10.9180 -10.4413 -10.4413 -10.3377 -10.3377 -10.3326 -10.3326 -10.3000 -10.3000 -10.2925 -10.2925 -3.7204 -3.7204 -3.7076 -3.7076 -2.4159 -2.4159 -2.3701 -2.3701 -2.2689 -2.2689 -2.2535 -2.2535 -0.3843 -0.3843 0.0984 0.0984 0.2861 0.2861 0.3219 0.3219 0.4063 0.4063 0.5078 0.5078 0.5976 0.5976 0.7688 0.7688 0.7913 0.7913 1.6156 1.6156 1.6226 1.6226 1.6583 1.6583 1.9198 1.9198 2.1560 2.1560 2.2524 2.2524 2.2822 2.2822 2.3276 2.3276 2.3927 2.3927 4.9879 4.9879 5.0416 5.0416 5.0754 5.0754 6.8535 6.8535 6.9529 6.9529 10.1746 10.1746 10.2647 10.2647 k = 0.5592 0.1177 0.3008 ( 21772 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8965 -14.8965 -14.8958 -14.8958 -10.9175 -10.9175 -10.4406 -10.4406 -10.3405 -10.3405 -10.3350 -10.3350 -10.2999 -10.2999 -10.2904 -10.2904 -3.7178 -3.7178 -3.7055 -3.7055 -2.4078 -2.4078 -2.3649 -2.3649 -2.2690 -2.2690 -2.2518 -2.2518 -0.3737 -0.3737 0.0877 0.0877 0.2849 0.2849 0.3229 0.3229 0.4237 0.4237 0.4910 0.4910 0.5942 0.5942 0.7572 0.7572 0.7848 0.7848 1.6188 1.6188 1.6277 1.6277 1.6759 1.6759 1.9069 1.9069 2.1316 2.1316 2.2447 2.2447 2.2703 2.2703 2.3198 2.3198 2.3966 2.3966 4.9871 4.9871 5.0439 5.0439 5.0803 5.0803 6.8349 6.8349 6.9572 6.9572 10.1950 10.1950 10.2926 10.2926 k = 0.5658 0.0988 0.3116 ( 21762 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8956 -14.8956 -10.9170 -10.9170 -10.4398 -10.4398 -10.3431 -10.3431 -10.3373 -10.3373 -10.3002 -10.3002 -10.2883 -10.2883 -3.7152 -3.7152 -3.7034 -3.7034 -2.3994 -2.3994 -2.3595 -2.3595 -2.2689 -2.2689 -2.2500 -2.2500 -0.3627 -0.3627 0.0779 0.0779 0.2829 0.2829 0.3241 0.3241 0.4393 0.4393 0.4758 0.4758 0.5913 0.5913 0.7446 0.7446 0.7777 0.7777 1.6217 1.6217 1.6337 1.6337 1.6945 1.6945 1.8938 1.8938 2.1052 2.1052 2.2361 2.2361 2.2589 2.2589 2.3108 2.3108 2.4014 2.4014 4.9851 4.9851 5.0473 5.0473 5.0854 5.0854 6.8156 6.8156 6.9620 6.9620 10.2169 10.2169 10.3200 10.3200 k = 0.5724 0.0798 0.3223 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8953 -14.8953 -10.9164 -10.9164 -10.4389 -10.4389 -10.3455 -10.3455 -10.3396 -10.3396 -10.3008 -10.3008 -10.2864 -10.2864 -3.7125 -3.7125 -3.7011 -3.7011 -2.3909 -2.3909 -2.3540 -2.3540 -2.2686 -2.2686 -2.2480 -2.2480 -0.3517 -0.3517 0.0690 0.0690 0.2798 0.2798 0.3256 0.3256 0.4435 0.4435 0.4725 0.4725 0.5886 0.5886 0.7315 0.7315 0.7701 0.7701 1.6243 1.6243 1.6403 1.6403 1.7136 1.7136 1.8809 1.8809 2.0773 2.0773 2.2268 2.2268 2.2482 2.2482 2.3008 2.3008 2.4070 2.4070 4.9818 4.9818 5.0516 5.0516 5.0908 5.0908 6.7959 6.7959 6.9672 6.9672 10.2403 10.2403 10.3454 10.3454 k = 0.5789 0.0608 0.3330 ( 21745 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8967 -14.8967 -14.8950 -14.8950 -10.9159 -10.9159 -10.4380 -10.4380 -10.3477 -10.3477 -10.3418 -10.3418 -10.3016 -10.3016 -10.2844 -10.2844 -3.7100 -3.7100 -3.6988 -3.6988 -2.3826 -2.3826 -2.3484 -2.3484 -2.2682 -2.2682 -2.2459 -2.2459 -0.3408 -0.3408 0.0613 0.0613 0.2752 0.2752 0.3275 0.3275 0.4328 0.4328 0.4855 0.4855 0.5863 0.5863 0.7180 0.7180 0.7620 0.7620 1.6266 1.6266 1.6474 1.6474 1.7324 1.7324 1.8685 1.8685 2.0489 2.0489 2.2169 2.2169 2.2382 2.2382 2.2900 2.2900 2.4133 2.4133 4.9777 4.9777 5.0566 5.0566 5.0961 5.0961 6.7761 6.7761 6.9728 6.9728 10.2651 10.2651 10.3676 10.3676 k = 0.5855 0.0418 0.3438 ( 21733 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8968 -14.8968 -14.8947 -14.8947 -10.9154 -10.9154 -10.4370 -10.4370 -10.3496 -10.3496 -10.3438 -10.3438 -10.3028 -10.3028 -10.2826 -10.2826 -3.7076 -3.7076 -3.6964 -3.6964 -2.3749 -2.3749 -2.3429 -2.3429 -2.2675 -2.2675 -2.2437 -2.2437 -0.3305 -0.3305 0.0548 0.0548 0.2688 0.2688 0.3297 0.3297 0.4211 0.4211 0.5016 0.5016 0.5842 0.5842 0.7046 0.7046 0.7535 0.7535 1.6284 1.6284 1.6551 1.6551 1.7502 1.7502 1.8570 1.8570 2.0212 2.0212 2.2065 2.2065 2.2291 2.2291 2.2786 2.2786 2.4200 2.4200 4.9729 4.9729 5.0620 5.0620 5.1014 5.1014 6.7567 6.7567 6.9787 6.9787 10.2911 10.2911 10.3861 10.3861 k = 0.5921 0.0228 0.3545 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8944 -14.8944 -10.9150 -10.9150 -10.4360 -10.4360 -10.3512 -10.3512 -10.3458 -10.3458 -10.3042 -10.3042 -10.2808 -10.2808 -3.7055 -3.7055 -3.6941 -3.6941 -2.3681 -2.3681 -2.3373 -2.3373 -2.2667 -2.2667 -2.2415 -2.2415 -0.3212 -0.3212 0.0497 0.0497 0.2600 0.2600 0.3322 0.3322 0.4123 0.4123 0.5174 0.5174 0.5823 0.5823 0.6917 0.6917 0.7445 0.7445 1.6295 1.6295 1.6633 1.6633 1.7657 1.7657 1.8468 1.8468 1.9956 1.9956 2.1959 2.1959 2.2210 2.2210 2.2668 2.2668 2.4271 2.4271 4.9676 4.9676 5.0675 5.0675 5.1066 5.1066 6.7377 6.7377 6.9849 6.9849 10.3179 10.3179 10.4008 10.4008 k = 0.5987 0.0038 0.3653 ( 21739 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8971 -14.8971 -14.8940 -14.8940 -10.9146 -10.9146 -10.4349 -10.4349 -10.3525 -10.3525 -10.3476 -10.3476 -10.3058 -10.3058 -10.2791 -10.2791 -3.7038 -3.7038 -3.6918 -3.6918 -2.3628 -2.3628 -2.3316 -2.3316 -2.2657 -2.2657 -2.2392 -2.2392 -0.3131 -0.3131 0.0461 0.0461 0.2490 0.2490 0.3351 0.3351 0.4074 0.4074 0.5317 0.5317 0.5808 0.5808 0.6801 0.6801 0.7353 0.7353 1.6299 1.6299 1.6718 1.6718 1.7771 1.7771 1.8382 1.8382 1.9745 1.9745 2.1852 2.1852 2.2139 2.2139 2.2549 2.2549 2.4345 2.4345 4.9620 4.9620 5.0731 5.0731 5.1115 5.1115 6.7197 6.7197 6.9914 6.9914 10.3447 10.3447 10.4121 10.4121 k = 0.6053-0.0152 0.3760 ( 21739 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8973 -14.8973 -14.8936 -14.8936 -10.9143 -10.9143 -10.4337 -10.4337 -10.3536 -10.3536 -10.3492 -10.3492 -10.3077 -10.3077 -10.2774 -10.2774 -3.7025 -3.7025 -3.6895 -3.6895 -2.3592 -2.3592 -2.3256 -2.3256 -2.2646 -2.2646 -2.2370 -2.2370 -0.3065 -0.3065 0.0439 0.0439 0.2363 0.2363 0.3383 0.3383 0.4067 0.4067 0.5435 0.5435 0.5796 0.5796 0.6706 0.6706 0.7258 0.7258 1.6295 1.6295 1.6804 1.6804 1.7822 1.7822 1.8313 1.8313 1.9604 1.9604 2.1747 2.1747 2.2078 2.2078 2.2432 2.2432 2.4421 2.4421 4.9562 4.9562 5.0785 5.0785 5.1161 5.1161 6.7027 6.7027 6.9981 6.9981 10.3695 10.3695 10.4211 10.4211 k = 0.6118-0.0342 0.3868 ( 21748 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8976 -14.8976 -14.8932 -14.8932 -10.9141 -10.9141 -10.4324 -10.4324 -10.3545 -10.3545 -10.3505 -10.3505 -10.3098 -10.3098 -10.2759 -10.2759 -3.7017 -3.7017 -3.6873 -3.6873 -2.3574 -2.3574 -2.3195 -2.3195 -2.2634 -2.2634 -2.2350 -2.2350 -0.3016 -0.3016 0.0433 0.0433 0.2226 0.2226 0.3419 0.3419 0.4096 0.4096 0.5516 0.5516 0.5789 0.5789 0.6645 0.6645 0.7162 0.7162 1.6283 1.6283 1.6892 1.6892 1.7795 1.7795 1.8259 1.8259 1.9556 1.9556 2.1647 2.1647 2.2027 2.2027 2.2318 2.2318 2.4498 2.4498 4.9504 4.9504 5.0836 5.0836 5.1203 5.1203 6.6871 6.6871 7.0050 7.0050 10.3872 10.3872 10.4282 10.4282 k = 0.6184-0.0532 0.3975 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8979 -14.8979 -14.8928 -14.8928 -10.9139 -10.9139 -10.4310 -10.4310 -10.3553 -10.3553 -10.3513 -10.3513 -10.3120 -10.3120 -10.2744 -10.2744 -3.7014 -3.7014 -3.6853 -3.6853 -2.3574 -2.3574 -2.3135 -2.3135 -2.2623 -2.2623 -2.2334 -2.2334 -0.2987 -0.2987 0.0440 0.0440 0.2089 0.2089 0.3459 0.3459 0.4157 0.4157 0.5552 0.5552 0.5784 0.5784 0.6627 0.6627 0.7065 0.7065 1.6262 1.6262 1.6977 1.6977 1.7701 1.7701 1.8217 1.8217 1.9598 1.9598 2.1555 2.1555 2.1984 2.1984 2.2213 2.2213 2.4576 2.4576 4.9445 4.9445 5.0883 5.0883 5.1241 5.1241 6.6731 6.6731 7.0121 7.0121 10.3918 10.3918 10.4261 10.4261 k = 0.6250-0.0722 0.4082 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4294 -10.4294 -10.3563 -10.3563 -10.3515 -10.3515 -10.3144 -10.3144 -10.2730 -10.2730 -3.7017 -3.7017 -3.6835 -3.6835 -2.3589 -2.3589 -2.3079 -2.3079 -2.2612 -2.2612 -2.2323 -2.2323 -0.2978 -0.2978 0.0461 0.0461 0.1960 0.1960 0.3503 0.3503 0.4244 0.4244 0.5543 0.5543 0.5781 0.5781 0.6652 0.6652 0.6969 0.6969 1.6236 1.6236 1.7054 1.7054 1.7568 1.7568 1.8189 1.8189 1.9705 1.9705 2.1474 2.1474 2.1947 2.1947 2.2123 2.2123 2.4654 2.4654 4.9388 4.9388 5.0925 5.0925 5.1274 5.1274 6.6608 6.6608 7.0192 7.0192 10.3840 10.3840 10.4153 10.4153 k = 0.6250-0.0722 0.4082 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4294 -10.4294 -10.3563 -10.3563 -10.3515 -10.3515 -10.3144 -10.3144 -10.2730 -10.2730 -3.7017 -3.7017 -3.6835 -3.6835 -2.3589 -2.3589 -2.3079 -2.3079 -2.2612 -2.2612 -2.2323 -2.2323 -0.2978 -0.2978 0.0461 0.0461 0.1960 0.1960 0.3503 0.3503 0.4244 0.4244 0.5543 0.5543 0.5781 0.5781 0.6652 0.6652 0.6969 0.6969 1.6236 1.6236 1.7054 1.7054 1.7568 1.7568 1.8189 1.8189 1.9705 1.9705 2.1474 2.1474 2.1947 2.1947 2.2123 2.2123 2.4654 2.4654 4.9388 4.9388 5.0925 5.0925 5.1274 5.1274 6.6608 6.6608 7.0192 7.0192 10.3840 10.3840 10.4153 10.4153 k = 0.6136-0.0656 0.4268 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4295 -10.4295 -10.3565 -10.3565 -10.3516 -10.3516 -10.3140 -10.3140 -10.2732 -10.2732 -3.7016 -3.7016 -3.6835 -3.6835 -2.3585 -2.3585 -2.3078 -2.3078 -2.2613 -2.2613 -2.2323 -2.2323 -0.2973 -0.2973 0.0454 0.0454 0.1967 0.1967 0.3508 0.3508 0.4230 0.4230 0.5547 0.5547 0.5782 0.5782 0.6645 0.6645 0.6971 0.6971 1.6242 1.6242 1.7054 1.7054 1.7578 1.7578 1.8181 1.8181 1.9704 1.9704 2.1446 2.1446 2.1933 2.1933 2.2159 2.2159 2.4644 2.4644 4.9396 4.9396 5.0910 5.0910 5.1283 5.1283 6.6612 6.6612 7.0186 7.0186 10.3847 10.3847 10.4205 10.4205 k = 0.6023-0.0590 0.4454 ( 21752 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8982 -14.8982 -14.8925 -14.8925 -10.9138 -10.9138 -10.4296 -10.4296 -10.3569 -10.3569 -10.3518 -10.3518 -10.3130 -10.3130 -10.2736 -10.2736 -3.7013 -3.7013 -3.6834 -3.6834 -2.3575 -2.3575 -2.3076 -2.3076 -2.2617 -2.2617 -2.2323 -2.2323 -0.2958 -0.2958 0.0435 0.0435 0.1987 0.1987 0.3519 0.3519 0.4186 0.4186 0.5558 0.5558 0.5787 0.5787 0.6625 0.6625 0.6974 0.6974 1.6260 1.6260 1.7055 1.7055 1.7609 1.7609 1.8159 1.8159 1.9701 1.9701 2.1377 2.1377 2.1896 2.1896 2.2249 2.2249 2.4615 2.4615 4.9417 4.9417 5.0869 5.0869 5.1307 5.1307 6.6623 6.6623 7.0168 7.0168 10.3874 10.3874 10.4354 10.4354 k = 0.5909-0.0525 0.4639 ( 21751 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8980 -14.8980 -14.8926 -14.8926 -10.9137 -10.9137 -10.4299 -10.4299 -10.3575 -10.3575 -10.3522 -10.3522 -10.3113 -10.3113 -10.2743 -10.2743 -3.7008 -3.7008 -3.6834 -3.6834 -2.3558 -2.3558 -2.3074 -2.3074 -2.2622 -2.2622 -2.2323 -2.2323 -0.2934 -0.2934 0.0405 0.0405 0.2020 0.2020 0.3535 0.3535 0.4117 0.4117 0.5578 0.5578 0.5794 0.5794 0.6593 0.6593 0.6978 0.6978 1.6290 1.6290 1.7056 1.7056 1.7659 1.7659 1.8124 1.8124 1.9693 1.9693 2.1288 2.1288 2.1837 2.1837 2.2372 2.2372 2.4566 2.4566 4.9453 4.9453 5.0811 5.0811 5.1337 5.1337 6.6640 6.6640 7.0140 7.0140 10.3928 10.3928 10.4592 10.4592 k = 0.5795-0.0459 0.4825 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8978 -14.8978 -14.8927 -14.8927 -10.9136 -10.9136 -10.4303 -10.4303 -10.3582 -10.3582 -10.3526 -10.3526 -10.3091 -10.3091 -10.2753 -10.2753 -3.7001 -3.7001 -3.6834 -3.6834 -2.3534 -2.3534 -2.3072 -2.3072 -2.2628 -2.2628 -2.2323 -2.2323 -0.2902 -0.2902 0.0366 0.0366 0.2068 0.2068 0.3552 0.3552 0.4028 0.4028 0.5607 0.5607 0.5802 0.5802 0.6550 0.6550 0.6983 0.6983 1.6330 1.6330 1.7055 1.7055 1.7724 1.7724 1.8083 1.8083 1.9678 1.9678 2.1196 2.1196 2.1762 2.1762 2.2511 2.2511 2.4499 2.4499 4.9501 4.9501 5.0740 5.0740 5.1369 5.1369 6.6663 6.6663 7.0102 7.0102 10.4012 10.4012 10.4912 10.4912 k = 0.5682-0.0394 0.5010 ( 21757 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8976 -14.8976 -14.8929 -14.8929 -10.9134 -10.9134 -10.4308 -10.4308 -10.3590 -10.3590 -10.3531 -10.3531 -10.3066 -10.3066 -10.2765 -10.2765 -3.6993 -3.6993 -3.6835 -3.6835 -2.3505 -2.3505 -2.3072 -2.3072 -2.2635 -2.2635 -2.2322 -2.2322 -0.2864 -0.2864 0.0321 0.0321 0.2129 0.2129 0.3560 0.3560 0.3927 0.3927 0.5645 0.5645 0.5811 0.5811 0.6497 0.6497 0.6986 0.6986 1.6379 1.6379 1.7052 1.7052 1.7795 1.7795 1.8045 1.8045 1.9653 1.9653 2.1108 2.1108 2.1676 2.1676 2.2659 2.2659 2.4415 2.4415 4.9561 4.9561 5.0661 5.0661 5.1399 5.1399 6.6689 6.6689 7.0059 7.0059 10.4123 10.4123 10.5300 10.5300 k = 0.5568-0.0328 0.5196 ( 21751 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8973 -14.8973 -14.8932 -14.8932 -10.9132 -10.9132 -10.4313 -10.4313 -10.3596 -10.3596 -10.3537 -10.3537 -10.3038 -10.3038 -10.2781 -10.2781 -3.6983 -3.6983 -3.6836 -3.6836 -2.3471 -2.3471 -2.3075 -2.3075 -2.2642 -2.2642 -2.2321 -2.2321 -0.2822 -0.2822 0.0273 0.0273 0.2205 0.2205 0.3543 0.3543 0.3833 0.3833 0.5694 0.5694 0.5819 0.5819 0.6437 0.6437 0.6988 0.6988 1.6437 1.6437 1.7043 1.7043 1.7841 1.7841 1.8046 1.8046 1.9613 1.9613 2.1028 2.1028 2.1586 2.1586 2.2812 2.2812 2.4316 2.4316 4.9630 4.9630 5.0577 5.0577 5.1425 5.1425 6.6717 6.6717 7.0012 7.0012 10.4262 10.4262 10.5546 10.5546 k = 0.5455-0.0262 0.5381 ( 21751 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8970 -14.8970 -14.8935 -14.8935 -10.9130 -10.9130 -10.4318 -10.4318 -10.3601 -10.3601 -10.3543 -10.3543 -10.3010 -10.3010 -10.2799 -10.2799 -3.6973 -3.6973 -3.6837 -3.6837 -2.3432 -2.3432 -2.3084 -2.3084 -2.2647 -2.2647 -2.2320 -2.2320 -0.2781 -0.2781 0.0227 0.0227 0.2296 0.2296 0.3476 0.3476 0.3774 0.3774 0.5752 0.5752 0.5826 0.5826 0.6370 0.6370 0.6987 0.6987 1.6500 1.6500 1.7026 1.7026 1.7830 1.7830 1.8116 1.8116 1.9556 1.9556 2.0959 2.0959 2.1502 2.1502 2.2967 2.2967 2.4203 2.4203 4.9708 4.9708 5.0489 5.0489 5.1447 5.1447 6.6744 6.6744 6.9967 6.9967 10.4426 10.4426 10.5670 10.5670 k = 0.5341-0.0197 0.5567 ( 21755 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8939 -14.8939 -10.9129 -10.9129 -10.4323 -10.4323 -10.3604 -10.3604 -10.3549 -10.3549 -10.2980 -10.2980 -10.2819 -10.2819 -3.6963 -3.6963 -3.6839 -3.6839 -2.3391 -2.3391 -2.3100 -2.3100 -2.2651 -2.2651 -2.2318 -2.2318 -0.2743 -0.2743 0.0185 0.0185 0.2399 0.2399 0.3358 0.3358 0.3752 0.3752 0.5808 0.5808 0.5844 0.5844 0.6298 0.6298 0.6984 0.6984 1.6569 1.6569 1.6998 1.6998 1.7797 1.7797 1.8224 1.8224 1.9480 1.9480 2.0904 2.0904 2.1430 2.1430 2.3121 2.3121 2.4079 2.4079 4.9791 4.9791 5.0399 5.0399 5.1464 5.1464 6.6768 6.6768 6.9925 6.9925 10.4615 10.4615 10.5719 10.5719 k = 0.5227-0.0131 0.5753 ( 21763 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8962 -14.8962 -14.8943 -14.8943 -10.9127 -10.9127 -10.4327 -10.4327 -10.3605 -10.3605 -10.3555 -10.3555 -10.2950 -10.2950 -10.2841 -10.2841 -3.6954 -3.6954 -3.6842 -3.6842 -2.3349 -2.3349 -2.3121 -2.3121 -2.2653 -2.2653 -2.2315 -2.2315 -0.2711 -0.2711 0.0152 0.0152 0.2513 0.2513 0.3220 0.3220 0.3747 0.3747 0.5825 0.5825 0.5907 0.5907 0.6222 0.6222 0.6980 0.6980 1.6638 1.6638 1.6958 1.6958 1.7767 1.7767 1.8338 1.8338 1.9393 1.9393 2.0864 2.0864 2.1377 2.1377 2.3269 2.3269 2.3951 2.3951 4.9876 4.9876 5.0311 5.0311 5.1477 5.1477 6.6788 6.6788 6.9892 6.9892 10.4826 10.4826 10.5673 10.5673 k = 0.5114-0.0066 0.5938 ( 21745 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8957 -14.8957 -14.8947 -14.8947 -10.9126 -10.9126 -10.4330 -10.4330 -10.3604 -10.3604 -10.3559 -10.3559 -10.2921 -10.2921 -10.2866 -10.2866 -3.6947 -3.6947 -3.6844 -3.6844 -2.3313 -2.3313 -2.3144 -2.3144 -2.2654 -2.2654 -2.2313 -2.2313 -0.2690 -0.2690 0.0130 0.0130 0.2625 0.2625 0.3088 0.3088 0.3746 0.3746 0.5828 0.5828 0.5987 0.5987 0.6145 0.6145 0.6975 0.6975 1.6702 1.6702 1.6910 1.6910 1.7749 1.7749 1.8432 1.8432 1.9313 1.9313 2.0839 2.0839 2.1345 2.1345 2.3401 2.3401 2.3829 2.3829 4.9953 4.9953 5.0232 5.0232 5.1484 5.1484 6.6800 6.6800 6.9871 6.9871 10.5057 10.5057 10.5532 10.5532 k = 0.5000-0.0000 0.6124 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8952 -14.8952 -14.8952 -14.8952 -10.9126 -10.9126 -10.4331 -10.4331 -10.3604 -10.3604 -10.3561 -10.3561 -10.2894 -10.2894 -10.2892 -10.2892 -3.6944 -3.6944 -3.6845 -3.6845 -2.3296 -2.3296 -2.3157 -2.3157 -2.2654 -2.2654 -2.2312 -2.2312 -0.2682 -0.2682 0.0123 0.0123 0.2685 0.2685 0.3020 0.3020 0.3745 0.3745 0.5829 0.5829 0.6065 0.6065 0.6068 0.6068 0.6973 0.6973 1.6736 1.6736 1.6881 1.6881 1.7743 1.7743 1.8471 1.8471 1.9277 1.9277 2.0831 2.0831 2.1335 2.1335 2.3469 2.3469 2.3765 2.3765 4.9992 4.9992 5.0193 5.0193 5.1486 5.1486 6.6804 6.6804 6.9863 6.9863 10.5288 10.5288 10.5329 10.5329 k = 0.5000-0.0000 0.6124 ( 21756 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8952 -14.8952 -14.8952 -14.8952 -10.9126 -10.9126 -10.4331 -10.4331 -10.3604 -10.3604 -10.3561 -10.3561 -10.2894 -10.2894 -10.2892 -10.2892 -3.6944 -3.6944 -3.6845 -3.6845 -2.3296 -2.3296 -2.3157 -2.3157 -2.2654 -2.2654 -2.2312 -2.2312 -0.2682 -0.2682 0.0123 0.0123 0.2685 0.2685 0.3020 0.3020 0.3745 0.3745 0.5829 0.5829 0.6065 0.6065 0.6068 0.6068 0.6973 0.6973 1.6736 1.6736 1.6881 1.6881 1.7743 1.7743 1.8471 1.8471 1.9277 1.9277 2.0831 2.0831 2.1335 2.1335 2.3469 2.3469 2.3765 2.3765 4.9992 4.9992 5.0193 5.0193 5.1486 5.1486 6.6804 6.6804 6.9863 6.9863 10.5288 10.5288 10.5329 10.5329 k = 0.5000 0.0131 0.5938 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8952 -14.8952 -14.8952 -14.8952 -10.9126 -10.9126 -10.4332 -10.4332 -10.3602 -10.3602 -10.3560 -10.3560 -10.2894 -10.2894 -10.2892 -10.2892 -3.6946 -3.6946 -3.6847 -3.6847 -2.3302 -2.3302 -2.3161 -2.3161 -2.2655 -2.2655 -2.2315 -2.2315 -0.2691 -0.2691 0.0127 0.0127 0.2690 0.2690 0.3030 0.3030 0.3739 0.3739 0.5829 0.5829 0.6028 0.6028 0.6098 0.6098 0.6989 0.6989 1.6731 1.6731 1.6875 1.6875 1.7751 1.7751 1.8472 1.8472 1.9276 1.9276 2.0847 2.0847 2.1351 2.1351 2.3469 2.3469 2.3765 2.3765 4.9992 4.9992 5.0193 5.0193 5.1481 5.1481 6.6816 6.6816 6.9861 6.9861 10.5255 10.5255 10.5302 10.5302 k = 0.5000 0.0262 0.5753 ( 21758 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8952 -14.8952 -14.8952 -14.8952 -10.9127 -10.9127 -10.4334 -10.4334 -10.3598 -10.3598 -10.3556 -10.3556 -10.2895 -10.2895 -10.2893 -10.2893 -3.6951 -3.6951 -3.6853 -3.6853 -2.3319 -2.3319 -2.3172 -2.3172 -2.2657 -2.2657 -2.2322 -2.2322 -0.2716 -0.2716 0.0141 0.0141 0.2704 0.2704 0.3060 0.3060 0.3721 0.3721 0.5830 0.5830 0.5962 0.5962 0.6147 0.6147 0.7033 0.7033 1.6715 1.6715 1.6856 1.6856 1.7777 1.7777 1.8467 1.8467 1.9278 1.9278 2.0895 2.0895 2.1398 2.1398 2.3469 2.3469 2.3765 2.3765 4.9994 4.9994 5.0194 5.0194 5.1466 5.1466 6.6851 6.6851 6.9853 6.9853 10.5156 10.5156 10.5226 10.5226 k = 0.5000 0.0394 0.5567 ( 21762 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8953 -14.8953 -14.8953 -14.8953 -10.9129 -10.9129 -10.4337 -10.4337 -10.3591 -10.3591 -10.3549 -10.3549 -10.2897 -10.2897 -10.2893 -10.2893 -3.6960 -3.6960 -3.6861 -3.6861 -2.3349 -2.3349 -2.3191 -2.3191 -2.2660 -2.2660 -2.2333 -2.2333 -0.2757 -0.2757 0.0164 0.0164 0.2722 0.2722 0.3113 0.3113 0.3694 0.3694 0.5830 0.5830 0.5868 0.5868 0.6220 0.6220 0.7096 0.7096 1.6689 1.6689 1.6825 1.6825 1.7821 1.7821 1.8440 1.8440 1.9306 1.9306 2.0971 2.0971 2.1471 2.1471 2.3469 2.3469 2.3765 2.3765 4.9996 4.9996 5.0197 5.0197 5.1441 5.1441 6.6909 6.6909 6.9841 6.9841 10.4995 10.4995 10.5106 10.5106 k = 0.5000 0.0525 0.5381 ( 21768 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8953 -14.8953 -14.8953 -14.8953 -10.9132 -10.9132 -10.4341 -10.4341 -10.3581 -10.3581 -10.3540 -10.3540 -10.2899 -10.2899 -10.2894 -10.2894 -3.6971 -3.6971 -3.6873 -3.6873 -2.3389 -2.3389 -2.3216 -2.3216 -2.2665 -2.2665 -2.2347 -2.2347 -0.2814 -0.2814 0.0196 0.0196 0.2740 0.2740 0.3189 0.3189 0.3663 0.3663 0.5749 0.5749 0.5835 0.5835 0.6315 0.6315 0.7171 0.7171 1.6653 1.6653 1.6784 1.6784 1.7884 1.7884 1.8375 1.8375 1.9377 1.9377 2.1074 2.1074 2.1563 2.1563 2.3469 2.3469 2.3766 2.3766 4.9999 4.9999 5.0201 5.0201 5.1407 5.1407 6.6989 6.6989 6.9825 6.9825 10.4780 10.4780 10.4947 10.4947 k = 0.5000 0.0656 0.5196 ( 21762 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8954 -14.8954 -14.8954 -14.8954 -10.9135 -10.9135 -10.4346 -10.4346 -10.3569 -10.3569 -10.3528 -10.3528 -10.2901 -10.2901 -10.2895 -10.2895 -3.6986 -3.6986 -3.6888 -3.6888 -2.3441 -2.3441 -2.3248 -2.3248 -2.2669 -2.2669 -2.2364 -2.2364 -0.2885 -0.2885 0.0237 0.0237 0.2757 0.2757 0.3283 0.3283 0.3638 0.3638 0.5616 0.5616 0.5839 0.5839 0.6430 0.6430 0.7252 0.7252 1.6609 1.6609 1.6734 1.6734 1.7959 1.7959 1.8276 1.8276 1.9499 1.9499 2.1197 2.1197 2.1667 2.1667 2.3468 2.3468 2.3768 2.3768 5.0000 5.0000 5.0207 5.0207 5.1364 5.1364 6.7089 6.7089 6.9804 6.9804 10.4523 10.4523 10.4753 10.4753 k = 0.5000 0.0787 0.5010 ( 21742 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8955 -14.8955 -14.8954 -14.8954 -10.9139 -10.9139 -10.4353 -10.4353 -10.3554 -10.3554 -10.3514 -10.3514 -10.2905 -10.2905 -10.2898 -10.2898 -3.7004 -3.7004 -3.6905 -3.6905 -2.3502 -2.3502 -2.3286 -2.3286 -2.2674 -2.2674 -2.2383 -2.2383 -0.2969 -0.2969 0.0287 0.0287 0.2772 0.2772 0.3370 0.3370 0.3642 0.3642 0.5470 0.5470 0.5844 0.5844 0.6559 0.6559 0.7335 0.7335 1.6559 1.6559 1.6677 1.6677 1.8001 1.8001 1.8194 1.8194 1.9664 1.9664 2.1337 2.1337 2.1781 2.1781 2.3466 2.3466 2.3771 2.3771 5.0001 5.0001 5.0215 5.0215 5.1314 5.1314 6.7209 6.7209 6.9779 6.9779 10.4236 10.4236 10.4532 10.4532 k = 0.5000 0.0919 0.4825 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8956 -14.8956 -14.8955 -14.8955 -10.9143 -10.9143 -10.4360 -10.4360 -10.3537 -10.3537 -10.3498 -10.3498 -10.2909 -10.2909 -10.2901 -10.2901 -3.7024 -3.7024 -3.6924 -3.6924 -2.3572 -2.3572 -2.3329 -2.3329 -2.2679 -2.2679 -2.2402 -2.2402 -0.3063 -0.3063 0.0346 0.0346 0.2785 0.2785 0.3406 0.3406 0.3721 0.3721 0.5314 0.5314 0.5851 0.5851 0.6698 0.6698 0.7418 0.7418 1.6506 1.6506 1.6617 1.6617 1.7897 1.7897 1.8248 1.8248 1.9865 1.9865 2.1490 2.1490 2.1898 2.1898 2.3463 2.3463 2.3775 2.3775 5.0000 5.0000 5.0225 5.0225 5.1256 5.1256 6.7346 6.7346 6.9751 6.9751 10.3928 10.3928 10.4289 10.4289 k = 0.5000 0.1050 0.4639 ( 21750 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8957 -14.8957 -14.8956 -14.8956 -10.9148 -10.9148 -10.4367 -10.4367 -10.3518 -10.3518 -10.3479 -10.3479 -10.2914 -10.2914 -10.2904 -10.2904 -3.7046 -3.7046 -3.6945 -3.6945 -2.3650 -2.3650 -2.3377 -2.3377 -2.2683 -2.2683 -2.2423 -2.2423 -0.3167 -0.3167 0.0413 0.0413 0.2798 0.2798 0.3393 0.3393 0.3866 0.3866 0.5151 0.5151 0.5861 0.5861 0.6844 0.6844 0.7500 0.7500 1.6452 1.6452 1.6554 1.6554 1.7725 1.7725 1.8365 1.8365 2.0091 2.0091 2.1649 2.1649 2.2019 2.2019 2.3457 2.3457 2.3782 2.3782 4.9997 4.9997 5.0239 5.0239 5.1193 5.1193 6.7497 6.7497 6.9721 6.9721 10.3610 10.3610 10.4032 10.4032 k = 0.5000 0.1181 0.4454 ( 21748 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8958 -14.8958 -14.8957 -14.8957 -10.9153 -10.9153 -10.4375 -10.4375 -10.3497 -10.3497 -10.3459 -10.3459 -10.2920 -10.2920 -10.2909 -10.2909 -3.7071 -3.7071 -3.6967 -3.6967 -2.3733 -2.3733 -2.3428 -2.3428 -2.2686 -2.2686 -2.2443 -2.2443 -0.3277 -0.3277 0.0489 0.0489 0.2810 0.2810 0.3364 0.3364 0.4042 0.4042 0.4984 0.4984 0.5873 0.5873 0.6994 0.6994 0.7579 0.7579 1.6398 1.6398 1.6492 1.6492 1.7534 1.7534 1.8499 1.8499 2.0336 2.0336 2.1810 2.1810 2.2140 2.2140 2.3450 2.3450 2.3790 2.3790 4.9991 4.9991 5.0255 5.0255 5.1125 5.1125 6.7661 6.7661 6.9688 6.9688 10.3289 10.3289 10.3766 10.3766 k = 0.5000 0.1312 0.4268 ( 21746 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8960 -14.8960 -14.8958 -14.8958 -10.9159 -10.9159 -10.4383 -10.4383 -10.3475 -10.3475 -10.3436 -10.3436 -10.2927 -10.2927 -10.2915 -10.2915 -3.7097 -3.7097 -3.6990 -3.6990 -2.3819 -2.3819 -2.3482 -2.3482 -2.2689 -2.2689 -2.2463 -2.2463 -0.3392 -0.3392 0.0573 0.0573 0.2822 0.2822 0.3333 0.3333 0.4227 0.4227 0.4819 0.4819 0.5888 0.5888 0.7143 0.7143 0.7655 0.7655 1.6346 1.6346 1.6431 1.6431 1.7336 1.7336 1.8639 1.8639 2.0592 2.0592 2.1969 2.1969 2.2263 2.2263 2.3443 2.3443 2.3799 2.3799 4.9982 4.9982 5.0273 5.0273 5.1054 5.1054 6.7835 6.7835 6.9653 6.9653 10.2973 10.2973 10.3496 10.3496 k = 0.5000 0.1443 0.4082 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8961 -14.8961 -14.8958 -14.8958 -10.9164 -10.9164 -10.4391 -10.4391 -10.3451 -10.3451 -10.3413 -10.3413 -10.2935 -10.2935 -10.2923 -10.2923 -3.7124 -3.7124 -3.7012 -3.7012 -2.3907 -2.3907 -2.3538 -2.3538 -2.2690 -2.2690 -2.2482 -2.2482 -0.3508 -0.3508 0.0665 0.0665 0.2834 0.2834 0.3303 0.3303 0.4388 0.4388 0.4682 0.4682 0.5906 0.5906 0.7289 0.7289 0.7728 0.7728 1.6297 1.6297 1.6373 1.6373 1.7138 1.7138 1.8781 1.8781 2.0852 2.0852 2.2120 2.2120 2.2389 2.2389 2.3435 2.3435 2.3809 2.3809 4.9969 4.9969 5.0292 5.0292 5.0983 5.0983 6.8014 6.8014 6.9617 6.9617 10.2666 10.2666 10.3227 10.3227 k = 0.5000 0.1575 0.3897 ( 21746 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8962 -14.8962 -14.8959 -14.8959 -10.9169 -10.9169 -10.4399 -10.4399 -10.3425 -10.3425 -10.3388 -10.3388 -10.2944 -10.2944 -10.2931 -10.2931 -3.7151 -3.7151 -3.7034 -3.7034 -2.3994 -2.3994 -2.3594 -2.3594 -2.2691 -2.2691 -2.2501 -2.2501 -0.3624 -0.3624 0.0763 0.0763 0.2845 0.2845 0.3277 0.3277 0.4373 0.4373 0.4720 0.4720 0.5927 0.5927 0.7429 0.7429 0.7797 0.7797 1.6250 1.6250 1.6318 1.6318 1.6943 1.6943 1.8923 1.8923 2.1109 2.1109 2.2258 2.2258 2.2518 2.2518 2.3428 2.3428 2.3819 2.3819 4.9954 4.9954 5.0313 5.0313 5.0912 5.0912 6.8197 6.8197 6.9581 6.9581 10.2375 10.2375 10.2964 10.2964 k = 0.5000 0.1706 0.3711 ( 21742 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8963 -14.8963 -14.8960 -14.8960 -10.9175 -10.9175 -10.4407 -10.4407 -10.3399 -10.3399 -10.3362 -10.3362 -10.2955 -10.2955 -10.2942 -10.2942 -3.7178 -3.7178 -3.7056 -3.7056 -2.4079 -2.4079 -2.3649 -2.3649 -2.2691 -2.2691 -2.2519 -2.2519 -0.3736 -0.3736 0.0869 0.0869 0.2855 0.2855 0.3255 0.3255 0.4221 0.4221 0.4889 0.4889 0.5952 0.5952 0.7560 0.7560 0.7862 0.7862 1.6207 1.6207 1.6267 1.6267 1.6755 1.6755 1.9062 1.9062 2.1355 2.1355 2.2380 2.2380 2.2652 2.2652 2.3424 2.3424 2.3830 2.3830 4.9936 4.9936 5.0333 5.0333 5.0844 5.0844 6.8378 6.8378 6.9546 6.9546 10.2102 10.2102 10.2710 10.2710 k = 0.5000 0.1837 0.3526 ( 21728 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8964 -14.8964 -14.8961 -14.8961 -10.9180 -10.9180 -10.4414 -10.4414 -10.3372 -10.3372 -10.3335 -10.3335 -10.2967 -10.2967 -10.2953 -10.2953 -3.7205 -3.7205 -3.7077 -3.7077 -2.4160 -2.4160 -2.3702 -2.3702 -2.2690 -2.2690 -2.2536 -2.2536 -0.3843 -0.3843 0.0980 0.0980 0.2862 0.2862 0.3238 0.3238 0.4049 0.4049 0.5069 0.5069 0.5982 0.5982 0.7681 0.7681 0.7923 0.7923 1.6164 1.6164 1.6223 1.6223 1.6579 1.6579 1.9196 1.9196 2.1583 2.1583 2.2483 2.2483 2.2788 2.2788 2.3423 2.3423 2.3840 2.3840 4.9915 4.9915 5.0352 5.0352 5.0782 5.0782 6.8554 6.8554 6.9512 6.9512 10.1850 10.1850 10.2467 10.2467 k = 0.5000 0.1968 0.3340 ( 21726 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8965 -14.8965 -14.8962 -14.8962 -10.9185 -10.9185 -10.4421 -10.4421 -10.3344 -10.3344 -10.3308 -10.3308 -10.2980 -10.2980 -10.2967 -10.2967 -3.7230 -3.7230 -3.7096 -3.7096 -2.4235 -2.4235 -2.3751 -2.3751 -2.2688 -2.2688 -2.2552 -2.2552 -0.3943 -0.3943 0.1096 0.1096 0.2868 0.2868 0.3224 0.3224 0.3877 0.3877 0.5236 0.5236 0.6019 0.6019 0.7789 0.7789 0.7979 0.7979 1.6119 1.6119 1.6184 1.6184 1.6420 1.6420 1.9321 1.9321 2.1790 2.1790 2.2568 2.2568 2.2925 2.2925 2.3426 2.3426 2.3849 2.3849 4.9893 4.9893 5.0369 5.0369 5.0726 5.0726 6.8722 6.8722 6.9480 6.9480 10.1622 10.1622 10.2238 10.2238 k = 0.5000 0.2099 0.3155 ( 21738 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8963 -14.8963 -10.9189 -10.9189 -10.4427 -10.4427 -10.3317 -10.3317 -10.3281 -10.3281 -10.2994 -10.2994 -10.2982 -10.2982 -3.7252 -3.7252 -3.7113 -3.7113 -2.4304 -2.4304 -2.3796 -2.3796 -2.2685 -2.2685 -2.2567 -2.2567 -0.4033 -0.4033 0.1215 0.1215 0.2870 0.2870 0.3211 0.3211 0.3712 0.3712 0.5382 0.5382 0.6062 0.6062 0.7883 0.7883 0.8031 0.8031 1.6065 1.6065 1.6152 1.6152 1.6287 1.6287 1.9437 1.9437 2.1969 2.1969 2.2635 2.2635 2.3059 2.3059 2.3433 2.3433 2.3858 2.3858 4.9869 4.9869 5.0383 5.0383 5.0679 5.0679 6.8877 6.8877 6.9451 6.9451 10.1420 10.1420 10.2019 10.2019 k = 0.5000 0.2231 0.2969 ( 21722 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8967 -14.8967 -14.8963 -14.8963 -10.9193 -10.9193 -10.4432 -10.4432 -10.3290 -10.3290 -10.3254 -10.3254 -10.3010 -10.3010 -10.2998 -10.2998 -3.7273 -3.7273 -3.7128 -3.7128 -2.4364 -2.4364 -2.3836 -2.3836 -2.2681 -2.2681 -2.2581 -2.2581 -0.4113 -0.4113 0.1334 0.1334 0.2869 0.2869 0.3195 0.3195 0.3560 0.3560 0.5500 0.5500 0.6114 0.6114 0.7960 0.7960 0.8079 0.8079 1.5995 1.5995 1.6127 1.6127 1.6192 1.6192 1.9541 1.9541 2.2120 2.2120 2.2685 2.2685 2.3186 2.3186 2.3444 2.3444 2.3866 2.3866 4.9844 4.9844 5.0393 5.0393 5.0643 5.0643 6.9016 6.9016 6.9425 6.9425 10.1244 10.1244 10.1803 10.1803 k = 0.5000 0.2362 0.2784 ( 21718 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8968 -14.8968 -14.8964 -14.8964 -10.9196 -10.9196 -10.4436 -10.4436 -10.3264 -10.3264 -10.3227 -10.3227 -10.3026 -10.3026 -10.3016 -10.3016 -3.7290 -3.7290 -3.7141 -3.7141 -2.4414 -2.4414 -2.3869 -2.3869 -2.2677 -2.2677 -2.2594 -2.2594 -0.4180 -0.4180 0.1451 0.1451 0.2865 0.2865 0.3167 0.3167 0.3436 0.3436 0.5590 0.5590 0.6170 0.6170 0.8019 0.8019 0.8123 0.8123 1.5913 1.5913 1.6108 1.6108 1.6135 1.6135 1.9629 1.9629 2.2242 2.2242 2.2720 2.2720 2.3301 2.3301 2.3455 2.3455 2.3872 2.3872 4.9822 4.9822 5.0399 5.0399 5.0616 5.0616 6.9135 6.9135 6.9403 6.9403 10.1096 10.1096 10.1581 10.1581 k = 0.5000 0.2493 0.2598 ( 21726 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8964 -14.8964 -10.9199 -10.9199 -10.4440 -10.4440 -10.3240 -10.3240 -10.3202 -10.3202 -10.3042 -10.3042 -10.3034 -10.3034 -3.7304 -3.7304 -3.7151 -3.7151 -2.4454 -2.4454 -2.3896 -2.3896 -2.2672 -2.2672 -2.2606 -2.2606 -0.4233 -0.4233 0.1560 0.1560 0.2857 0.2857 0.3117 0.3117 0.3356 0.3356 0.5652 0.5652 0.6225 0.6225 0.8062 0.8062 0.8162 0.8162 1.5834 1.5834 1.6093 1.6093 1.6101 1.6101 1.9701 1.9701 2.2335 2.2335 2.2742 2.2742 2.3400 2.3400 2.3466 2.3466 2.3876 2.3876 4.9802 4.9802 5.0400 5.0400 5.0599 5.0599 6.9231 6.9231 6.9386 6.9386 10.0978 10.0978 10.1379 10.1379 k = 0.5000 0.2624 0.2412 ( 21722 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8965 -14.8965 -10.9201 -10.9201 -10.4442 -10.4442 -10.3219 -10.3219 -10.3178 -10.3178 -10.3056 -10.3056 -10.3052 -10.3052 -3.7314 -3.7314 -3.7159 -3.7159 -2.4484 -2.4484 -2.3915 -2.3915 -2.2667 -2.2667 -2.2615 -2.2615 -0.4272 -0.4272 0.1653 0.1653 0.2842 0.2842 0.3055 0.3055 0.3319 0.3319 0.5692 0.5692 0.6272 0.6272 0.8090 0.8090 0.8192 0.8192 1.5773 1.5773 1.6079 1.6079 1.6084 1.6084 1.9753 1.9753 2.2402 2.2402 2.2755 2.2755 2.3472 2.3472 2.3480 2.3480 2.3878 2.3878 4.9786 4.9786 5.0399 5.0399 5.0590 5.0590 6.9300 6.9300 6.9374 6.9374 10.0892 10.0892 10.1223 10.1223 k = 0.5000 0.2756 0.2227 ( 21716 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8965 -14.8965 -10.9202 -10.9202 -10.4444 -10.4444 -10.3204 -10.3204 -10.3159 -10.3159 -10.3068 -10.3068 -10.3067 -10.3067 -3.7320 -3.7320 -3.7163 -3.7163 -2.4501 -2.4501 -2.3927 -2.3927 -2.2662 -2.2662 -2.2623 -2.2623 -0.4295 -0.4295 0.1717 0.1717 0.2823 0.2823 0.3011 0.3011 0.3305 0.3305 0.5715 0.5715 0.6302 0.6302 0.8107 0.8107 0.8211 0.8211 1.5735 1.5735 1.6068 1.6068 1.6078 1.6078 1.9785 1.9785 2.2441 2.2441 2.2762 2.2762 2.3479 2.3479 2.3527 2.3527 2.3878 2.3878 4.9776 4.9776 5.0398 5.0398 5.0585 5.0585 6.9337 6.9337 6.9372 6.9372 10.0839 10.0839 10.1126 10.1126 k = 0.5000 0.2887 0.2041 ( 21710 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8970 -14.8970 -14.8965 -14.8965 -10.9203 -10.9203 -10.4445 -10.4445 -10.3199 -10.3199 -10.3151 -10.3151 -10.3075 -10.3075 -10.3072 -10.3072 -3.7322 -3.7322 -3.7165 -3.7165 -2.4507 -2.4507 -2.3931 -2.3931 -2.2661 -2.2661 -2.2625 -2.2625 -0.4303 -0.4303 0.1740 0.1740 0.2814 0.2814 0.2996 0.2996 0.3302 0.3302 0.5722 0.5722 0.6313 0.6313 0.8112 0.8112 0.8218 0.8218 1.5722 1.5722 1.6064 1.6064 1.6076 1.6076 1.9796 1.9796 2.2454 2.2454 2.2764 2.2764 2.3481 2.3481 2.3544 2.3544 2.3877 2.3877 4.9773 4.9773 5.0397 5.0397 5.0584 5.0584 6.9345 6.9345 6.9376 6.9376 10.0821 10.0821 10.1093 10.1093 k = 0.5000 0.2887 0.2041 ( 21710 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8970 -14.8970 -14.8965 -14.8965 -10.9203 -10.9203 -10.4445 -10.4445 -10.3199 -10.3199 -10.3151 -10.3151 -10.3075 -10.3075 -10.3072 -10.3072 -3.7322 -3.7322 -3.7165 -3.7165 -2.4507 -2.4507 -2.3931 -2.3931 -2.2661 -2.2661 -2.2625 -2.2625 -0.4303 -0.4303 0.1740 0.1740 0.2814 0.2814 0.2996 0.2996 0.3302 0.3302 0.5722 0.5722 0.6313 0.6313 0.8112 0.8112 0.8218 0.8218 1.5722 1.5722 1.6064 1.6064 1.6076 1.6076 1.9796 1.9796 2.2454 2.2454 2.2764 2.2764 2.3481 2.3481 2.3544 2.3544 2.3877 2.3877 4.9773 4.9773 5.0397 5.0397 5.0584 5.0584 6.9345 6.9345 6.9376 6.9376 10.0821 10.0821 10.1093 10.1093 k = 0.4934 0.2849 0.2256 ( 21711 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8965 -14.8965 -10.9202 -10.9202 -10.4444 -10.4444 -10.3204 -10.3204 -10.3159 -10.3159 -10.3068 -10.3068 -10.3067 -10.3067 -3.7320 -3.7320 -3.7163 -3.7163 -2.4501 -2.4501 -2.3927 -2.3927 -2.2662 -2.2662 -2.2623 -2.2623 -0.4295 -0.4295 0.1717 0.1717 0.2823 0.2823 0.3011 0.3011 0.3305 0.3305 0.5715 0.5715 0.6302 0.6302 0.8106 0.8106 0.8211 0.8211 1.5735 1.5735 1.6068 1.6068 1.6078 1.6078 1.9785 1.9785 2.2441 2.2441 2.2762 2.2762 2.3479 2.3479 2.3527 2.3527 2.3878 2.3878 4.9776 4.9776 5.0398 5.0398 5.0585 5.0585 6.9337 6.9337 6.9372 6.9372 10.0839 10.0839 10.1126 10.1126 k = 0.4868 0.2811 0.2471 ( 21722 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8965 -14.8965 -10.9201 -10.9201 -10.4442 -10.4442 -10.3219 -10.3219 -10.3178 -10.3178 -10.3057 -10.3057 -10.3052 -10.3052 -3.7314 -3.7314 -3.7159 -3.7159 -2.4483 -2.4483 -2.3915 -2.3915 -2.2667 -2.2667 -2.2615 -2.2615 -0.4271 -0.4271 0.1652 0.1652 0.2842 0.2842 0.3055 0.3055 0.3319 0.3319 0.5692 0.5692 0.6272 0.6272 0.8090 0.8090 0.8192 0.8192 1.5774 1.5774 1.6079 1.6079 1.6084 1.6084 1.9753 1.9753 2.2401 2.2401 2.2755 2.2755 2.3474 2.3474 2.3478 2.3478 2.3878 2.3878 4.9786 4.9786 5.0399 5.0399 5.0590 5.0590 6.9299 6.9299 6.9374 6.9374 10.0892 10.0892 10.1224 10.1224 k = 0.4803 0.2773 0.2686 ( 21709 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8964 -14.8964 -10.9199 -10.9199 -10.4440 -10.4440 -10.3240 -10.3240 -10.3201 -10.3201 -10.3043 -10.3043 -10.3032 -10.3032 -3.7304 -3.7304 -3.7151 -3.7151 -2.4454 -2.4454 -2.3896 -2.3896 -2.2672 -2.2672 -2.2605 -2.2605 -0.4233 -0.4233 0.1559 0.1559 0.2857 0.2857 0.3117 0.3117 0.3357 0.3357 0.5652 0.5652 0.6225 0.6225 0.8062 0.8062 0.8162 0.8162 1.5835 1.5835 1.6092 1.6092 1.6102 1.6102 1.9700 1.9700 2.2335 2.2335 2.2742 2.2742 2.3401 2.3401 2.3464 2.3464 2.3877 2.3877 4.9802 4.9802 5.0401 5.0401 5.0599 5.0599 6.9230 6.9230 6.9386 6.9386 10.0978 10.0978 10.1382 10.1382 k = 0.4737 0.2735 0.2901 ( 21718 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8968 -14.8968 -14.8964 -14.8964 -10.9196 -10.9196 -10.4436 -10.4436 -10.3265 -10.3265 -10.3226 -10.3226 -10.3030 -10.3030 -10.3011 -10.3011 -3.7290 -3.7290 -3.7141 -3.7141 -2.4414 -2.4414 -2.3869 -2.3869 -2.2677 -2.2677 -2.2594 -2.2594 -0.4179 -0.4179 0.1450 0.1450 0.2866 0.2866 0.3166 0.3166 0.3438 0.3438 0.5589 0.5589 0.6169 0.6169 0.8019 0.8019 0.8123 0.8123 1.5913 1.5913 1.6107 1.6107 1.6136 1.6136 1.9628 1.9628 2.2240 2.2240 2.2721 2.2721 2.3303 2.3303 2.3448 2.3448 2.3875 2.3875 4.9821 4.9821 5.0401 5.0401 5.0615 5.0615 6.9133 6.9133 6.9404 6.9404 10.1092 10.1092 10.1593 10.1593 k = 0.4671 0.2697 0.3116 ( 21740 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8967 -14.8967 -14.8963 -14.8963 -10.9193 -10.9193 -10.4432 -10.4432 -10.3292 -10.3292 -10.3252 -10.3252 -10.3019 -10.3019 -10.2990 -10.2990 -3.7273 -3.7273 -3.7128 -3.7128 -2.4363 -2.4363 -2.3835 -2.3835 -2.2681 -2.2681 -2.2581 -2.2581 -0.4112 -0.4112 0.1333 0.1333 0.2870 0.2870 0.3192 0.3192 0.3565 0.3565 0.5500 0.5500 0.6112 0.6112 0.7960 0.7960 0.8077 0.8077 1.5996 1.5996 1.6126 1.6126 1.6195 1.6195 1.9540 1.9540 2.2116 2.2116 2.2689 2.2689 2.3191 2.3191 2.3424 2.3424 2.3876 2.3876 4.9842 4.9842 5.0400 5.0400 5.0639 5.0639 6.9012 6.9012 6.9428 6.9428 10.1229 10.1229 10.1844 10.1844 k = 0.4605 0.2659 0.3330 ( 21748 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8967 -14.8967 -14.8962 -14.8962 -10.9189 -10.9189 -10.4426 -10.4426 -10.3320 -10.3320 -10.3277 -10.3277 -10.3009 -10.3009 -10.2968 -10.2968 -3.7252 -3.7252 -3.7113 -3.7113 -2.4303 -2.4303 -2.3796 -2.3796 -2.2685 -2.2685 -2.2567 -2.2567 -0.4032 -0.4032 0.1214 0.1214 0.2871 0.2871 0.3204 0.3204 0.3719 0.3719 0.5382 0.5382 0.6060 0.6060 0.7884 0.7884 0.8028 0.8028 1.6066 1.6066 1.6150 1.6150 1.6291 1.6291 1.9436 1.9436 2.1962 2.1962 2.2646 2.2646 2.3070 2.3070 2.3388 2.3388 2.3883 2.3883 4.9861 4.9861 5.0400 5.0400 5.0671 5.0671 6.8870 6.8870 6.9456 6.9456 10.1386 10.1386 10.2109 10.2109 k = 0.4539 0.2621 0.3545 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8961 -14.8961 -10.9185 -10.9185 -10.4420 -10.4420 -10.3349 -10.3349 -10.3302 -10.3302 -10.3003 -10.3003 -10.2946 -10.2946 -3.7229 -3.7229 -3.7095 -3.7095 -2.4234 -2.4234 -2.3751 -2.3751 -2.2687 -2.2687 -2.2552 -2.2552 -0.3942 -0.3942 0.1097 0.1097 0.2868 0.2868 0.3212 0.3212 0.3887 0.3887 0.5239 0.5239 0.6015 0.6015 0.7793 0.7793 0.7973 0.7973 1.6117 1.6117 1.6183 1.6183 1.6424 1.6424 1.9322 1.9322 2.1776 2.1776 2.2590 2.2590 2.2945 2.2945 2.3339 2.3339 2.3899 2.3899 4.9875 4.9875 5.0404 5.0404 5.0710 5.0710 6.8710 6.8710 6.9490 6.9490 10.1558 10.1558 10.2373 10.2373 k = 0.4474 0.2583 0.3760 ( 21758 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8960 -14.8960 -10.9180 -10.9180 -10.4413 -10.4413 -10.3377 -10.3377 -10.3326 -10.3326 -10.3000 -10.3000 -10.2925 -10.2925 -3.7204 -3.7204 -3.7076 -3.7076 -2.4159 -2.4159 -2.3701 -2.3701 -2.2689 -2.2689 -2.2535 -2.2535 -0.3843 -0.3843 0.0984 0.0984 0.2861 0.2861 0.3219 0.3219 0.4063 0.4063 0.5078 0.5078 0.5976 0.5976 0.7688 0.7688 0.7913 0.7913 1.6156 1.6156 1.6226 1.6226 1.6583 1.6583 1.9198 1.9198 2.1560 2.1560 2.2524 2.2524 2.2822 2.2822 2.3276 2.3276 2.3927 2.3927 4.9879 4.9879 5.0416 5.0416 5.0754 5.0754 6.8535 6.8535 6.9529 6.9529 10.1746 10.1746 10.2647 10.2647 k = 0.4408 0.2545 0.3975 ( 21772 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8965 -14.8965 -14.8958 -14.8958 -10.9175 -10.9175 -10.4406 -10.4406 -10.3405 -10.3405 -10.3350 -10.3350 -10.2999 -10.2999 -10.2904 -10.2904 -3.7178 -3.7178 -3.7055 -3.7055 -2.4078 -2.4078 -2.3649 -2.3649 -2.2690 -2.2690 -2.2518 -2.2518 -0.3737 -0.3737 0.0877 0.0877 0.2849 0.2849 0.3229 0.3229 0.4237 0.4237 0.4910 0.4910 0.5942 0.5942 0.7572 0.7572 0.7848 0.7848 1.6188 1.6188 1.6277 1.6277 1.6759 1.6759 1.9069 1.9069 2.1316 2.1316 2.2447 2.2447 2.2703 2.2703 2.3198 2.3198 2.3966 2.3966 4.9871 4.9871 5.0439 5.0439 5.0803 5.0803 6.8349 6.8349 6.9572 6.9572 10.1950 10.1950 10.2926 10.2926 k = 0.4342 0.2507 0.4190 ( 21762 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8956 -14.8956 -10.9170 -10.9170 -10.4398 -10.4398 -10.3431 -10.3431 -10.3373 -10.3373 -10.3002 -10.3002 -10.2883 -10.2883 -3.7152 -3.7152 -3.7034 -3.7034 -2.3994 -2.3994 -2.3595 -2.3595 -2.2689 -2.2689 -2.2500 -2.2500 -0.3627 -0.3627 0.0779 0.0779 0.2829 0.2829 0.3241 0.3241 0.4393 0.4393 0.4758 0.4758 0.5913 0.5913 0.7446 0.7446 0.7777 0.7777 1.6217 1.6217 1.6337 1.6337 1.6945 1.6945 1.8938 1.8938 2.1052 2.1052 2.2361 2.2361 2.2589 2.2589 2.3108 2.3108 2.4014 2.4014 4.9851 4.9851 5.0473 5.0473 5.0854 5.0854 6.8156 6.8156 6.9620 6.9620 10.2169 10.2169 10.3200 10.3200 k = 0.4276 0.2469 0.4405 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8966 -14.8966 -14.8953 -14.8953 -10.9164 -10.9164 -10.4389 -10.4389 -10.3455 -10.3455 -10.3396 -10.3396 -10.3008 -10.3008 -10.2864 -10.2864 -3.7125 -3.7125 -3.7011 -3.7011 -2.3909 -2.3909 -2.3540 -2.3540 -2.2686 -2.2686 -2.2480 -2.2480 -0.3517 -0.3517 0.0690 0.0690 0.2798 0.2798 0.3256 0.3256 0.4435 0.4435 0.4725 0.4725 0.5886 0.5886 0.7315 0.7315 0.7701 0.7701 1.6243 1.6243 1.6403 1.6403 1.7136 1.7136 1.8809 1.8809 2.0773 2.0773 2.2268 2.2268 2.2482 2.2482 2.3008 2.3008 2.4070 2.4070 4.9818 4.9818 5.0516 5.0516 5.0908 5.0908 6.7959 6.7959 6.9672 6.9672 10.2403 10.2403 10.3454 10.3454 k = 0.4211 0.2431 0.4620 ( 21745 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8967 -14.8967 -14.8950 -14.8950 -10.9159 -10.9159 -10.4380 -10.4380 -10.3477 -10.3477 -10.3418 -10.3418 -10.3016 -10.3016 -10.2844 -10.2844 -3.7100 -3.7100 -3.6988 -3.6988 -2.3826 -2.3826 -2.3484 -2.3484 -2.2682 -2.2682 -2.2459 -2.2459 -0.3408 -0.3408 0.0613 0.0613 0.2752 0.2752 0.3275 0.3275 0.4328 0.4328 0.4855 0.4855 0.5863 0.5863 0.7180 0.7180 0.7620 0.7620 1.6266 1.6266 1.6474 1.6474 1.7324 1.7324 1.8685 1.8685 2.0489 2.0489 2.2169 2.2169 2.2382 2.2382 2.2900 2.2900 2.4133 2.4133 4.9777 4.9777 5.0566 5.0566 5.0961 5.0961 6.7761 6.7761 6.9728 6.9728 10.2651 10.2651 10.3676 10.3676 k = 0.4145 0.2393 0.4835 ( 21733 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8968 -14.8968 -14.8947 -14.8947 -10.9154 -10.9154 -10.4370 -10.4370 -10.3496 -10.3496 -10.3438 -10.3438 -10.3028 -10.3028 -10.2826 -10.2826 -3.7076 -3.7076 -3.6964 -3.6964 -2.3749 -2.3749 -2.3429 -2.3429 -2.2675 -2.2675 -2.2437 -2.2437 -0.3305 -0.3305 0.0548 0.0548 0.2688 0.2688 0.3297 0.3297 0.4211 0.4211 0.5016 0.5016 0.5842 0.5842 0.7046 0.7046 0.7535 0.7535 1.6284 1.6284 1.6551 1.6551 1.7502 1.7502 1.8570 1.8570 2.0212 2.0212 2.2065 2.2065 2.2291 2.2291 2.2786 2.2786 2.4200 2.4200 4.9729 4.9729 5.0620 5.0620 5.1014 5.1014 6.7567 6.7567 6.9787 6.9787 10.2911 10.2911 10.3861 10.3861 k = 0.4079 0.2355 0.5049 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8969 -14.8969 -14.8944 -14.8944 -10.9150 -10.9150 -10.4360 -10.4360 -10.3512 -10.3512 -10.3458 -10.3458 -10.3042 -10.3042 -10.2808 -10.2808 -3.7055 -3.7055 -3.6941 -3.6941 -2.3681 -2.3681 -2.3373 -2.3373 -2.2667 -2.2667 -2.2415 -2.2415 -0.3212 -0.3212 0.0497 0.0497 0.2600 0.2600 0.3322 0.3322 0.4123 0.4123 0.5174 0.5174 0.5823 0.5823 0.6917 0.6917 0.7445 0.7445 1.6295 1.6295 1.6633 1.6633 1.7657 1.7657 1.8468 1.8468 1.9956 1.9956 2.1959 2.1959 2.2210 2.2210 2.2668 2.2668 2.4271 2.4271 4.9676 4.9676 5.0675 5.0675 5.1066 5.1066 6.7377 6.7377 6.9849 6.9849 10.3179 10.3179 10.4008 10.4008 k = 0.4013 0.2317 0.5264 ( 21739 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8971 -14.8971 -14.8940 -14.8940 -10.9146 -10.9146 -10.4349 -10.4349 -10.3525 -10.3525 -10.3476 -10.3476 -10.3058 -10.3058 -10.2791 -10.2791 -3.7038 -3.7038 -3.6918 -3.6918 -2.3628 -2.3628 -2.3316 -2.3316 -2.2657 -2.2657 -2.2392 -2.2392 -0.3131 -0.3131 0.0461 0.0461 0.2490 0.2490 0.3351 0.3351 0.4074 0.4074 0.5317 0.5317 0.5808 0.5808 0.6801 0.6801 0.7353 0.7353 1.6299 1.6299 1.6718 1.6718 1.7771 1.7771 1.8382 1.8382 1.9745 1.9745 2.1852 2.1852 2.2139 2.2139 2.2549 2.2549 2.4345 2.4345 4.9620 4.9620 5.0731 5.0731 5.1115 5.1115 6.7197 6.7197 6.9914 6.9914 10.3447 10.3447 10.4121 10.4122 k = 0.3947 0.2279 0.5479 ( 21739 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8973 -14.8973 -14.8936 -14.8936 -10.9143 -10.9143 -10.4337 -10.4337 -10.3536 -10.3536 -10.3492 -10.3492 -10.3077 -10.3077 -10.2774 -10.2774 -3.7025 -3.7025 -3.6895 -3.6895 -2.3592 -2.3592 -2.3256 -2.3256 -2.2646 -2.2646 -2.2370 -2.2370 -0.3065 -0.3065 0.0439 0.0439 0.2363 0.2363 0.3383 0.3383 0.4067 0.4067 0.5435 0.5435 0.5796 0.5796 0.6706 0.6706 0.7258 0.7258 1.6295 1.6295 1.6804 1.6804 1.7822 1.7822 1.8313 1.8313 1.9604 1.9604 2.1747 2.1747 2.2078 2.2078 2.2432 2.2432 2.4421 2.4421 4.9562 4.9562 5.0785 5.0785 5.1161 5.1161 6.7027 6.7027 6.9981 6.9981 10.3695 10.3695 10.4211 10.4211 k = 0.3882 0.2241 0.5694 ( 21748 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8976 -14.8976 -14.8932 -14.8932 -10.9141 -10.9141 -10.4324 -10.4324 -10.3545 -10.3545 -10.3505 -10.3505 -10.3098 -10.3098 -10.2759 -10.2759 -3.7017 -3.7017 -3.6873 -3.6873 -2.3574 -2.3574 -2.3195 -2.3195 -2.2634 -2.2634 -2.2350 -2.2350 -0.3016 -0.3016 0.0433 0.0433 0.2226 0.2226 0.3419 0.3419 0.4096 0.4096 0.5516 0.5516 0.5789 0.5789 0.6645 0.6645 0.7162 0.7162 1.6283 1.6283 1.6892 1.6892 1.7795 1.7795 1.8259 1.8259 1.9556 1.9556 2.1647 2.1647 2.2027 2.2027 2.2318 2.2318 2.4498 2.4498 4.9504 4.9504 5.0836 5.0836 5.1203 5.1203 6.6871 6.6871 7.0050 7.0050 10.3872 10.3872 10.4282 10.4282 k = 0.3816 0.2203 0.5909 ( 21754 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8979 -14.8979 -14.8928 -14.8928 -10.9139 -10.9139 -10.4310 -10.4310 -10.3553 -10.3553 -10.3513 -10.3513 -10.3120 -10.3120 -10.2744 -10.2744 -3.7014 -3.7014 -3.6853 -3.6853 -2.3574 -2.3574 -2.3135 -2.3135 -2.2623 -2.2623 -2.2334 -2.2334 -0.2987 -0.2987 0.0440 0.0440 0.2089 0.2089 0.3459 0.3459 0.4157 0.4157 0.5552 0.5552 0.5784 0.5784 0.6627 0.6627 0.7065 0.7065 1.6262 1.6262 1.6977 1.6977 1.7701 1.7701 1.8217 1.8217 1.9598 1.9598 2.1555 2.1555 2.1984 2.1984 2.2213 2.2213 2.4576 2.4576 4.9445 4.9445 5.0883 5.0883 5.1241 5.1241 6.6731 6.6731 7.0121 7.0121 10.3918 10.3918 10.4261 10.4261 k = 0.3750 0.2165 0.6124 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4294 -10.4294 -10.3563 -10.3563 -10.3515 -10.3515 -10.3144 -10.3144 -10.2730 -10.2730 -3.7017 -3.7017 -3.6835 -3.6835 -2.3589 -2.3589 -2.3079 -2.3079 -2.2612 -2.2612 -2.2323 -2.2323 -0.2978 -0.2978 0.0461 0.0461 0.1960 0.1960 0.3503 0.3503 0.4244 0.4244 0.5543 0.5543 0.5781 0.5781 0.6652 0.6652 0.6969 0.6969 1.6236 1.6236 1.7054 1.7054 1.7568 1.7568 1.8189 1.8189 1.9705 1.9705 2.1474 2.1474 2.1947 2.1947 2.2123 2.2123 2.4654 2.4654 4.9388 4.9388 5.0925 5.0925 5.1274 5.1274 6.6608 6.6608 7.0192 7.0192 10.3840 10.3840 10.4153 10.4153 k = 0.6250-0.0722 0.4082 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8983 -14.8983 -14.8924 -14.8924 -10.9139 -10.9139 -10.4294 -10.4294 -10.3563 -10.3563 -10.3515 -10.3515 -10.3144 -10.3144 -10.2730 -10.2730 -3.7017 -3.7017 -3.6835 -3.6835 -2.3589 -2.3589 -2.3079 -2.3079 -2.2612 -2.2612 -2.2323 -2.2323 -0.2978 -0.2978 0.0461 0.0461 0.1960 0.1960 0.3503 0.3503 0.4244 0.4244 0.5543 0.5543 0.5781 0.5781 0.6652 0.6652 0.6969 0.6969 1.6236 1.6236 1.7054 1.7054 1.7568 1.7568 1.8189 1.8189 1.9705 1.9705 2.1474 2.1474 2.1947 2.1947 2.2123 2.2123 2.4654 2.4654 4.9388 4.9388 5.0925 5.0925 5.1274 5.1274 6.6608 6.6608 7.0192 7.0192 10.3840 10.3840 10.4153 10.4153 k = 0.6136-0.0919 0.4082 ( 21746 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8990 -14.8990 -14.8916 -14.8916 -10.9140 -10.9140 -10.4263 -10.4263 -10.3583 -10.3583 -10.3511 -10.3511 -10.3188 -10.3188 -10.2708 -10.2708 -3.7028 -3.7028 -3.6806 -3.6806 -2.3629 -2.3629 -2.2990 -2.2990 -2.2597 -2.2597 -2.2314 -2.2314 -0.2988 -0.2988 0.0513 0.0513 0.1756 0.1756 0.3589 0.3589 0.4417 0.4417 0.5491 0.5491 0.5780 0.5780 0.6698 0.6698 0.6833 0.6833 1.6190 1.6190 1.7151 1.7151 1.7350 1.7350 1.8156 1.8156 1.9933 1.9933 2.1347 2.1347 2.1885 2.1885 2.1993 2.1993 2.4788 2.4788 4.9292 4.9292 5.0992 5.0992 5.1324 5.1324 6.6417 6.6417 7.0316 7.0316 10.3585 10.3585 10.3951 10.3951 k = 0.6023-0.1115 0.4082 ( 21738 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.8996 -14.8996 -14.8909 -14.8909 -10.9142 -10.9142 -10.4226 -10.4226 -10.3604 -10.3604 -10.3505 -10.3505 -10.3234 -10.3234 -10.2687 -10.2687 -3.7039 -3.7039 -3.6781 -3.6781 -2.3670 -2.3670 -2.2910 -2.2910 -2.2583 -2.2583 -2.2307 -2.2307 -0.3010 -0.3010 0.0577 0.0577 0.1568 0.1568 0.3683 0.3683 0.4591 0.4591 0.5434 0.5434 0.5785 0.5785 0.6587 0.6587 0.6851 0.6851 1.6148 1.6148 1.7034 1.7034 1.7352 1.7352 1.8128 1.8128 2.0159 2.0159 2.1227 2.1227 2.1827 2.1827 2.1874 2.1874 2.4917 2.4917 4.9197 4.9197 5.1054 5.1054 5.1373 5.1373 6.6238 6.6238 7.0438 7.0438 10.3312 10.3312 10.3768 10.3768 k = 0.5909-0.1312 0.4082 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9001 -14.9001 -14.8903 -14.8903 -10.9145 -10.9145 -10.4186 -10.4186 -10.3623 -10.3623 -10.3498 -10.3498 -10.3283 -10.3283 -10.2668 -10.2668 -3.7051 -3.7051 -3.6759 -3.6759 -2.3710 -2.3710 -2.2841 -2.2841 -2.2568 -2.2568 -2.2304 -2.2304 -0.3041 -0.3041 0.0649 0.0649 0.1398 0.1398 0.3786 0.3786 0.4760 0.4760 0.5373 0.5373 0.5794 0.5794 0.6418 0.6418 0.6922 0.6922 1.6110 1.6110 1.6814 1.6814 1.7464 1.7464 1.8104 1.8104 2.0377 2.0377 2.1115 2.1115 2.1753 2.1753 2.1790 2.1790 2.5040 2.5040 4.9106 4.9106 5.1111 5.1111 5.1418 5.1418 6.6071 6.6071 7.0556 7.0556 10.3054 10.3054 10.3574 10.3574 k = 0.5795-0.1509 0.4082 ( 21744 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9007 -14.9007 -14.8898 -14.8898 -10.9147 -10.9147 -10.4141 -10.4141 -10.3641 -10.3641 -10.3492 -10.3492 -10.3334 -10.3334 -10.2651 -10.2651 -3.7063 -3.7063 -3.6741 -3.6741 -2.3749 -2.3749 -2.2783 -2.2783 -2.2552 -2.2552 -2.2303 -2.2303 -0.3078 -0.3078 0.0724 0.0724 0.1248 0.1248 0.3896 0.3896 0.4918 0.4918 0.5311 0.5311 0.5808 0.5808 0.6245 0.6245 0.6994 0.6994 1.6077 1.6077 1.6600 1.6600 1.7578 1.7578 1.8084 1.8084 2.0579 2.0579 2.1011 2.1011 2.1658 2.1658 2.1749 2.1749 2.5154 2.5154 4.9020 4.9020 5.1162 5.1162 5.1460 5.1460 6.5920 6.5920 7.0667 7.0667 10.2822 10.2822 10.3363 10.3363 k = 0.5682-0.1706 0.4082 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9011 -14.9011 -14.8893 -14.8893 -10.9150 -10.9150 -10.4092 -10.4092 -10.3656 -10.3656 -10.3486 -10.3486 -10.3387 -10.3387 -10.2636 -10.2636 -3.7074 -3.7074 -3.6725 -3.6725 -2.3784 -2.3784 -2.2739 -2.2739 -2.2532 -2.2532 -2.2304 -2.2304 -0.3118 -0.3118 0.0799 0.0799 0.1119 0.1119 0.4012 0.4012 0.5060 0.5060 0.5248 0.5248 0.5825 0.5825 0.6079 0.6079 0.7062 0.7062 1.6047 1.6047 1.6404 1.6404 1.7685 1.7685 1.8067 1.8067 2.0756 2.0756 2.0919 2.0919 2.1571 2.1571 2.1723 2.1723 2.5256 2.5256 4.8941 4.8941 5.1207 5.1207 5.1499 5.1499 6.5785 6.5785 7.0768 7.0768 10.2617 10.2617 10.3141 10.3141 k = 0.5568-0.1903 0.4082 ( 21714 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9015 -14.9015 -14.8889 -14.8889 -10.9153 -10.9153 -10.4040 -10.4040 -10.3670 -10.3670 -10.3484 -10.3484 -10.3438 -10.3438 -10.2623 -10.2623 -3.7084 -3.7084 -3.6713 -3.6713 -2.3816 -2.3816 -2.2709 -2.2709 -2.2509 -2.2509 -2.2305 -2.2305 -0.3157 -0.3157 0.0867 0.0867 0.1012 0.1012 0.4135 0.4135 0.5179 0.5179 0.5186 0.5186 0.5815 0.5815 0.5951 0.5951 0.7123 0.7123 1.6023 1.6023 1.6230 1.6230 1.7780 1.7780 1.8054 1.8054 2.0832 2.0832 2.0909 2.0909 2.1497 2.1497 2.1713 2.1713 2.5346 2.5346 4.8871 4.8871 5.1245 5.1245 5.1533 5.1533 6.5668 6.5668 7.0859 7.0859 10.2443 10.2443 10.2921 10.2921 k = 0.5455-0.2099 0.4082 ( 21724 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9018 -14.9018 -14.8886 -14.8886 -10.9156 -10.9156 -10.3986 -10.3986 -10.3681 -10.3681 -10.3506 -10.3506 -10.3467 -10.3467 -10.2613 -10.2613 -3.7092 -3.7092 -3.6703 -3.6703 -2.3843 -2.3843 -2.2689 -2.2689 -2.2484 -2.2484 -2.2308 -2.2308 -0.3192 -0.3192 0.0897 0.0897 0.0957 0.0957 0.4263 0.4263 0.5125 0.5125 0.5273 0.5273 0.5707 0.5707 0.5936 0.5936 0.7175 0.7175 1.6002 1.6002 1.6082 1.6082 1.7861 1.7861 1.8043 1.8043 2.0766 2.0766 2.1020 2.1020 2.1435 2.1435 2.1718 2.1718 2.5422 2.5422 4.8811 4.8811 5.1276 5.1276 5.1562 5.1562 6.5570 6.5570 7.0936 7.0936 10.2299 10.2299 10.2717 10.2717 k = 0.5341-0.2296 0.4082 ( 21730 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9021 -14.9021 -14.8883 -14.8883 -10.9158 -10.9158 -10.3931 -10.3931 -10.3690 -10.3690 -10.3559 -10.3559 -10.3467 -10.3467 -10.2604 -10.2604 -3.7099 -3.7099 -3.6696 -3.6696 -2.3865 -2.3865 -2.2678 -2.2678 -2.2461 -2.2461 -2.2310 -2.2310 -0.3222 -0.3222 0.0841 0.0841 0.0996 0.0996 0.4394 0.4394 0.5062 0.5062 0.5341 0.5341 0.5571 0.5571 0.5966 0.5966 0.7217 0.7217 1.5959 1.5959 1.5990 1.5990 1.7925 1.7925 1.8037 1.8037 2.0712 2.0712 2.1097 2.1097 2.1386 2.1386 2.1736 2.1736 2.5481 2.5481 4.8763 4.8763 5.1300 5.1300 5.1586 5.1586 6.5493 6.5493 7.0998 7.0998 10.2187 10.2187 10.2543 10.2543 k = 0.5227-0.2493 0.4082 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9022 -14.9022 -14.8881 -14.8881 -10.9159 -10.9159 -10.3875 -10.3875 -10.3697 -10.3697 -10.3615 -10.3615 -10.3466 -10.3466 -10.2598 -10.2598 -3.7104 -3.7104 -3.6691 -3.6691 -2.3881 -2.3881 -2.2672 -2.2672 -2.2443 -2.2443 -2.2312 -2.2312 -0.3245 -0.3245 0.0794 0.0794 0.1034 0.1034 0.4525 0.4525 0.4994 0.4994 0.5386 0.5386 0.5455 0.5455 0.5998 0.5998 0.7248 0.7248 1.5874 1.5874 1.5977 1.5977 1.7970 1.7970 1.8035 1.8035 2.0672 2.0672 2.1144 2.1144 2.1350 2.1350 2.1759 2.1759 2.5525 2.5525 4.8728 4.8728 5.1317 5.1317 5.1603 5.1603 6.5437 6.5437 7.1044 7.1044 10.2106 10.2106 10.2409 10.2409 k = 0.5114-0.2690 0.4082 ( 21738 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9024 -14.9024 -14.8880 -14.8880 -10.9161 -10.9161 -10.3822 -10.3822 -10.3704 -10.3704 -10.3664 -10.3664 -10.3464 -10.3464 -10.2595 -10.2595 -3.7107 -3.7107 -3.6688 -3.6688 -2.3890 -2.3890 -2.2669 -2.2669 -2.2430 -2.2430 -2.2314 -2.2314 -0.3259 -0.3259 0.0764 0.0764 0.1059 0.1059 0.4649 0.4649 0.4913 0.4913 0.5376 0.5376 0.5411 0.5411 0.6021 0.6021 0.7267 0.7267 1.5820 1.5820 1.5970 1.5970 1.7993 1.7993 1.8038 1.8038 2.0648 2.0648 2.1169 2.1169 2.1329 2.1329 2.1778 2.1778 2.5551 2.5551 4.8707 4.8707 5.1328 5.1328 5.1613 5.1613 6.5403 6.5403 7.1071 7.1071 10.2057 10.2057 10.2326 10.2326 k = 0.5000-0.2887 0.4082 ( 21732 PWs) bands (ev): -54.3237 -54.3237 -30.9439 -30.9439 -30.2851 -30.2851 -30.2851 -30.2851 -14.9024 -14.9024 -14.8880 -14.8880 -10.9161 -10.9161 -10.3791 -10.3791 -10.3716 -10.3716 -10.3685 -10.3685 -10.3464 -10.3464 -10.2594 -10.2594 -3.7109 -3.7109 -3.6687 -3.6687 -2.3893 -2.3893 -2.2668 -2.2668 -2.2426 -2.2426 -2.2315 -2.2315 -0.3263 -0.3263 0.0755 0.0755 0.1067 0.1067 0.4727 0.4727 0.4852 0.4852 0.5349 0.5349 0.5419 0.5419 0.6029 0.6029 0.7273 0.7273 1.5803 1.5803 1.5968 1.5968 1.7999 1.7999 1.8041 1.8041 2.0640 2.0640 2.1176 2.1176 2.1322 2.1322 2.1785 2.1785 2.5560 2.5560 4.8699 4.8699 5.1331 5.1331 5.1617 5.1617 6.5392 6.5392 7.1080 7.1080 10.2041 10.2041 10.2298 10.2298 Writing output data file Cs2TiCl6.save init_run : 0.53s CPU 0.67s WALL ( 1 calls) electrons : 975.55s CPU 982.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 975.54s CPU 982.21s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.27s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.25s WALL ( 210 calls) cegterg : 923.38s CPU 928.95s WALL ( 689 calls) Called by sum_band: Called by *egterg: h_psi : 611.16s CPU 616.56s WALL ( 12699 calls) s_psi : 30.13s CPU 30.26s WALL ( 12699 calls) g_psi : 1.02s CPU 1.01s WALL ( 11800 calls) cdiaghg : 213.47s CPU 213.99s WALL ( 12010 calls) cegterg:over : 38.71s CPU 38.51s WALL ( 11800 calls) cegterg:upda : 36.29s CPU 36.40s WALL ( 11800 calls) cegterg:last : 16.99s CPU 16.98s WALL ( 1319 calls) cdiaghg:chol : 9.38s CPU 9.50s WALL ( 12010 calls) cdiaghg:inve : 6.86s CPU 6.70s WALL ( 12010 calls) cdiaghg:para : 12.16s CPU 12.56s WALL ( 24020 calls) Called by h_psi: h_psi:vloc : 520.54s CPU 525.46s WALL ( 12699 calls) h_psi:vnl : 89.38s CPU 89.89s WALL ( 12699 calls) add_vuspsi : 50.75s CPU 50.96s WALL ( 12699 calls) General routines calbec : 38.55s CPU 38.89s WALL ( 12699 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 498.48s CPU 502.98s WALL ( 1298496 calls) davcio : 0.26s CPU 0.53s WALL ( 420 calls) Parallel routines fft_scatter : 229.14s CPU 232.15s WALL ( 1298511 calls) PWSCF : 17m20.52s CPU 17m46.60s WALL This run was terminated on: 8:18:59 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=