Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 8: 0:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cs2ZrCl6.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 59 59 16 2554 2554 357 Max 60 60 17 2559 2559 360 Sum 4267 4267 1159 184007 184007 25821 bravais-lattice index = 14 lattice parameter (alat) = 13.9062 a.u. unit-cell volume = 1901.5738 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 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)= 13.906230 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 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. # 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 Zr 4.00 91.22400 Zr( 1.00) Cl 7.00 35.45300 Cl( 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 0.7045455), wk = 0.0047619 k( 65) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0047619 k( 66) = ( 0.3295455 0.3295455 0.6590909), wk = 0.0047619 k( 67) = ( 0.3181818 0.3181818 0.6363636), wk = 0.0047619 k( 68) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0047619 k( 69) = ( 0.2954545 0.2954545 0.5909091), wk = 0.0047619 k( 70) = ( 0.2840909 0.2840909 0.5681818), wk = 0.0047619 k( 71) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0047619 k( 72) = ( 0.2613636 0.2613636 0.5227273), wk = 0.0047619 k( 73) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0047619 k( 74) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0047619 k( 75) = ( 0.2272727 0.2272727 0.4545455), wk = 0.0047619 k( 76) = ( 0.2159091 0.2159091 0.4318182), wk = 0.0047619 k( 77) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0047619 k( 78) = ( 0.1931818 0.1931818 0.3863636), wk = 0.0047619 k( 79) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0047619 k( 80) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0047619 k( 81) = ( 0.1590909 0.1590909 0.3181818), wk = 0.0047619 k( 82) = ( 0.1477273 0.1477273 0.2954545), wk = 0.0047619 k( 83) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0047619 k( 84) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0047619 k( 85) = ( 0.1136364 0.1136364 0.2272727), wk = 0.0047619 k( 86) = ( 0.1022727 0.1022727 0.2045455), wk = 0.0047619 k( 87) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0047619 k( 88) = ( 0.0795455 0.0795455 0.1590909), wk = 0.0047619 k( 89) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0047619 k( 90) = ( 0.0568182 0.0568182 0.1136364), wk = 0.0047619 k( 91) = ( 0.0454546 0.0454546 0.0909091), wk = 0.0047619 k( 92) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0047619 k( 93) = ( 0.0227273 0.0227273 0.0454546), wk = 0.0047619 k( 94) = ( 0.0113636 0.0113636 0.0227273), wk = 0.0047619 k( 95) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047619 k( 97) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0047619 k( 98) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0047619 k( 99) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0047619 k( 100) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0047619 k( 101) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0047619 k( 102) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0047619 k( 103) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0047619 k( 104) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0047619 k( 105) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0047619 k( 106) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0047619 k( 107) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0047619 k( 108) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0047619 k( 109) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0047619 k( 110) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0047619 k( 111) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0047619 k( 112) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0047619 k( 113) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0047619 k( 114) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0047619 k( 115) = ( 0.3518519 0.3518519 0.3518519), wk = 0.0047619 k( 116) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0047619 k( 117) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0047619 k( 118) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0047619 k( 119) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0047619 k( 120) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0047619 k( 121) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0047619 k( 122) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0047619 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 125) = ( 0.5065789 0.4868421 0.5065789), 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 0.5454546), wk = 0.0047619 k( 175) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0047619 k( 176) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0047619 k( 177) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0047619 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 179) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047619 k( 180) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0047619 k( 181) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0047619 k( 182) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0047619 k( 183) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0047619 k( 184) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0047619 k( 185) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0047619 k( 186) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0047619 k( 187) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0047619 k( 188) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0047619 k( 189) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0047619 k( 190) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0047619 k( 191) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0047619 k( 192) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0047619 k( 193) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0047619 k( 194) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0047619 k( 195) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0047619 k( 196) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0047619 k( 197) = ( 0.3815789 0.3815789 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 0.2045454 0.6022727), wk = 0.0047619 k( 202) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0047619 k( 203) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0047619 k( 204) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0047619 k( 205) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0047619 k( 206) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0047619 k( 207) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0047619 k( 208) = ( 0.5227273 0.0454545 0.5227273), wk = 0.0047619 k( 209) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0047619 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047619 Dense grid: 184007 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.74 Mb ( 636, 76) NL pseudopotentials 1.67 Mb ( 318, 344) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2555) G-vector shells 0.01 Mb ( 835) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.95 Mb ( 636, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.80 Mb ( 344, 2, 76) The potential is recalculated from file : ./Cs2ZrCl6.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.1 secs Computing kpt #: 2 total cpu time spent up to now is 9.1 secs Computing kpt #: 3 total cpu time spent up to now is 12.0 secs Computing kpt #: 4 total cpu time spent up to now is 14.9 secs Computing kpt #: 5 total cpu time spent up to now is 17.8 secs Computing kpt #: 6 total cpu time spent up to now is 21.1 secs Computing kpt #: 7 total cpu time spent up to now is 24.1 secs Computing kpt #: 8 total cpu time spent up to now is 27.1 secs Computing kpt #: 9 total cpu time spent up to now is 30.1 secs Computing kpt #: 10 total cpu time spent up to now is 33.1 secs Computing kpt #: 11 total cpu time spent up to now is 36.2 secs Computing kpt #: 12 total cpu time spent up to now is 39.2 secs Computing kpt #: 13 total cpu time spent up to now is 42.3 secs Computing kpt #: 14 total cpu time spent up to now is 45.4 secs Computing kpt #: 15 total cpu time spent up to now is 48.4 secs Computing kpt #: 16 total cpu time spent up to now is 51.4 secs Computing kpt #: 17 total cpu time spent up to now is 54.4 secs Computing kpt #: 18 total cpu time spent up to now is 57.3 secs Computing kpt #: 19 total cpu time spent up to now is 60.2 secs Computing kpt #: 20 total cpu time spent up to now is 63.1 secs Computing kpt #: 21 total cpu time spent up to now is 66.0 secs Computing kpt #: 22 total cpu time spent up to now is 69.0 secs Computing kpt #: 23 total cpu time spent up to now is 71.9 secs Computing kpt #: 24 total cpu time spent up to now is 74.8 secs Computing kpt #: 25 total cpu time spent up to now is 77.7 secs Computing kpt #: 26 total cpu time spent up to now is 80.5 secs Computing kpt #: 27 total cpu time spent up to now is 83.4 secs Computing kpt #: 28 total cpu time spent up to now is 86.3 secs Computing kpt #: 29 total cpu time spent up to now is 89.1 secs Computing kpt #: 30 total cpu time spent up to now is 92.0 secs Computing kpt #: 31 total cpu time spent up to now is 94.9 secs Computing kpt #: 32 total cpu time spent up to now is 98.4 secs Computing kpt #: 33 total cpu time spent up to now is 101.6 secs Computing kpt #: 34 total cpu time spent up to now is 104.5 secs Computing kpt #: 35 total cpu time spent up to now is 107.9 secs Computing kpt #: 36 total cpu time spent up to now is 111.1 secs Computing kpt #: 37 total cpu time spent up to now is 114.7 secs Computing kpt #: 38 total cpu time spent up to now is 118.2 secs Computing kpt #: 39 total cpu time spent up to now is 122.5 secs Computing kpt #: 40 total cpu time spent up to now is 125.6 secs Computing kpt #: 41 total cpu time spent up to now is 128.8 secs Computing kpt #: 42 total cpu time spent up to now is 131.9 secs Computing kpt #: 43 total cpu time spent up to now is 135.0 secs Computing kpt #: 44 total cpu time spent up to now is 139.5 secs Computing kpt #: 45 total cpu time spent up to now is 142.7 secs Computing kpt #: 46 total cpu time spent up to now is 146.3 secs Computing kpt #: 47 total cpu time spent up to now is 150.5 secs Computing kpt #: 48 total cpu time spent up to now is 154.9 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.2 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 167.5 secs Computing kpt #: 51 total cpu time spent up to now is 172.0 secs Computing kpt #: 52 total cpu time spent up to now is 176.4 secs Computing kpt #: 53 total cpu time spent up to now is 180.3 secs Computing kpt #: 54 total cpu time spent up to now is 184.6 secs Computing kpt #: 55 total cpu time spent up to now is 189.0 secs Computing kpt #: 56 total cpu time spent up to now is 193.8 secs Computing kpt #: 57 total cpu time spent up to now is 198.3 secs Computing kpt #: 58 total cpu time spent up to now is 202.6 secs Computing kpt #: 59 total cpu time spent up to now is 206.4 secs Computing kpt #: 60 total cpu time spent up to now is 210.2 secs Computing kpt #: 61 total cpu time spent up to now is 214.0 secs Computing kpt #: 62 total cpu time spent up to now is 217.7 secs Computing kpt #: 63 total cpu time spent up to now is 221.4 secs Computing kpt #: 64 total cpu time spent up to now is 226.5 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.8 secs Computing kpt #: 66 total cpu time spent up to now is 237.2 secs Computing kpt #: 67 total cpu time spent up to now is 241.0 secs Computing kpt #: 68 total cpu time spent up to now is 244.6 secs Computing kpt #: 69 total cpu time spent up to now is 248.2 secs Computing kpt #: 70 total cpu time spent up to now is 251.3 secs Computing kpt #: 71 total cpu time spent up to now is 254.5 secs Computing kpt #: 72 total cpu time spent up to now is 257.5 secs Computing kpt #: 73 total cpu time spent up to now is 260.6 secs Computing kpt #: 74 total cpu time spent up to now is 263.7 secs Computing kpt #: 75 total cpu time spent up to now is 266.7 secs Computing kpt #: 76 total cpu time spent up to now is 269.7 secs Computing kpt #: 77 total cpu time spent up to now is 272.7 secs Computing kpt #: 78 total cpu time spent up to now is 275.8 secs Computing kpt #: 79 total cpu time spent up to now is 278.8 secs Computing kpt #: 80 total cpu time spent up to now is 281.8 secs Computing kpt #: 81 total cpu time spent up to now is 284.8 secs Computing kpt #: 82 total cpu time spent up to now is 288.1 secs Computing kpt #: 83 total cpu time spent up to now is 291.9 secs Computing kpt #: 84 total cpu time spent up to now is 296.1 secs Computing kpt #: 85 total cpu time spent up to now is 300.2 secs Computing kpt #: 86 total cpu time spent up to now is 303.3 secs Computing kpt #: 87 total cpu time spent up to now is 307.8 secs Computing kpt #: 88 total cpu time spent up to now is 310.8 secs Computing kpt #: 89 total cpu time spent up to now is 313.7 secs Computing kpt #: 90 total cpu time spent up to now is 316.6 secs Computing kpt #: 91 total cpu time spent up to now is 319.6 secs Computing kpt #: 92 total cpu time spent up to now is 322.5 secs Computing kpt #: 93 total cpu time spent up to now is 325.4 secs Computing kpt #: 94 total cpu time spent up to now is 328.2 secs Computing kpt #: 95 total cpu time spent up to now is 331.0 secs Computing kpt #: 96 total cpu time spent up to now is 333.9 secs Computing kpt #: 97 total cpu time spent up to now is 336.8 secs Computing kpt #: 98 total cpu time spent up to now is 339.7 secs Computing kpt #: 99 total cpu time spent up to now is 342.5 secs Computing kpt #: 100 total cpu time spent up to now is 345.4 secs Computing kpt #: 101 total cpu time spent up to now is 348.4 secs Computing kpt #: 102 total cpu time spent up to now is 351.4 secs Computing kpt #: 103 total cpu time spent up to now is 354.4 secs Computing kpt #: 104 total cpu time spent up to now is 357.4 secs Computing kpt #: 105 total cpu time spent up to now is 360.5 secs Computing kpt #: 106 total cpu time spent up to now is 363.6 secs Computing kpt #: 107 total cpu time spent up to now is 367.4 secs Computing kpt #: 108 total cpu time spent up to now is 371.1 secs Computing kpt #: 109 total cpu time spent up to now is 374.8 secs Computing kpt #: 110 total cpu time spent up to now is 377.9 secs Computing kpt #: 111 total cpu time spent up to now is 380.9 secs Computing kpt #: 112 total cpu time spent up to now is 383.8 secs Computing kpt #: 113 total cpu time spent up to now is 388.0 secs Computing kpt #: 114 total cpu time spent up to now is 391.0 secs Computing kpt #: 115 total cpu time spent up to now is 393.9 secs Computing kpt #: 116 total cpu time spent up to now is 397.0 secs Computing kpt #: 117 total cpu time spent up to now is 399.9 secs Computing kpt #: 118 total cpu time spent up to now is 403.0 secs Computing kpt #: 119 total cpu time spent up to now is 406.0 secs Computing kpt #: 120 total cpu time spent up to now is 409.1 secs Computing kpt #: 121 total cpu time spent up to now is 412.6 secs Computing kpt #: 122 total cpu time spent up to now is 416.4 secs Computing kpt #: 123 total cpu time spent up to now is 421.5 secs Computing kpt #: 124 total cpu time spent up to now is 426.7 secs Computing kpt #: 125 total cpu time spent up to now is 431.9 secs Computing kpt #: 126 total cpu time spent up to now is 437.0 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 443.0 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.2 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.5 secs Computing kpt #: 130 total cpu time spent up to now is 461.3 secs Computing kpt #: 131 total cpu time spent up to now is 467.0 secs Computing kpt #: 132 total cpu time spent up to now is 472.2 secs Computing kpt #: 133 total cpu time spent up to now is 476.7 secs Computing kpt #: 134 total cpu time spent up to now is 481.2 secs Computing kpt #: 135 total cpu time spent up to now is 485.7 secs Computing kpt #: 136 total cpu time spent up to now is 489.7 secs Computing kpt #: 137 total cpu time spent up to now is 494.0 secs Computing kpt #: 138 total cpu time spent up to now is 498.0 secs Computing kpt #: 139 total cpu time spent up to now is 501.8 secs Computing kpt #: 140 total cpu time spent up to now is 505.5 secs Computing kpt #: 141 total cpu time spent up to now is 509.2 secs Computing kpt #: 142 total cpu time spent up to now is 512.8 secs Computing kpt #: 143 total cpu time spent up to now is 516.6 secs Computing kpt #: 144 total cpu time spent up to now is 520.3 secs Computing kpt #: 145 total cpu time spent up to now is 524.1 secs Computing kpt #: 146 total cpu time spent up to now is 528.0 secs Computing kpt #: 147 total cpu time spent up to now is 532.3 secs Computing kpt #: 148 total cpu time spent up to now is 536.7 secs Computing kpt #: 149 total cpu time spent up to now is 541.2 secs Computing kpt #: 150 total cpu time spent up to now is 545.6 secs Computing kpt #: 151 total cpu time spent up to now is 550.0 secs Computing kpt #: 152 total cpu time spent up to now is 553.9 secs Computing kpt #: 153 total cpu time spent up to now is 558.3 secs Computing kpt #: 154 total cpu time spent up to now is 563.6 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 569.9 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 576.0 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 582.1 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 588.4 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.1 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 601.4 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 607.7 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 614.0 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.3 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.6 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.9 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 639.2 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 645.5 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 651.7 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 658.0 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.2 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 670.5 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 676.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 682.9 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.2 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 695.3 secs Computing kpt #: 176 total cpu time spent up to now is 701.1 secs Computing kpt #: 177 total cpu time spent up to now is 705.4 secs Computing kpt #: 178 total cpu time spent up to now is 709.3 secs Computing kpt #: 179 total cpu time spent up to now is 713.6 secs Computing kpt #: 180 total cpu time spent up to now is 717.9 secs Computing kpt #: 181 total cpu time spent up to now is 723.0 secs Computing kpt #: 182 total cpu time spent up to now is 728.2 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 734.2 secs Computing kpt #: 184 total cpu time spent up to now is 739.6 secs Computing kpt #: 185 total cpu time spent up to now is 745.4 secs Computing kpt #: 186 total cpu time spent up to now is 750.7 secs Computing kpt #: 187 total cpu time spent up to now is 755.8 secs Computing kpt #: 188 total cpu time spent up to now is 760.4 secs Computing kpt #: 189 total cpu time spent up to now is 764.9 secs Computing kpt #: 190 total cpu time spent up to now is 769.2 secs Computing kpt #: 191 total cpu time spent up to now is 773.6 secs Computing kpt #: 192 total cpu time spent up to now is 778.0 secs Computing kpt #: 193 total cpu time spent up to now is 781.7 secs Computing kpt #: 194 total cpu time spent up to now is 785.4 secs Computing kpt #: 195 total cpu time spent up to now is 789.1 secs Computing kpt #: 196 total cpu time spent up to now is 792.7 secs Computing kpt #: 197 total cpu time spent up to now is 796.4 secs Computing kpt #: 198 total cpu time spent up to now is 800.1 secs Computing kpt #: 199 total cpu time spent up to now is 803.7 secs Computing kpt #: 200 total cpu time spent up to now is 807.5 secs Computing kpt #: 201 total cpu time spent up to now is 811.8 secs Computing kpt #: 202 total cpu time spent up to now is 816.1 secs Computing kpt #: 203 total cpu time spent up to now is 820.6 secs Computing kpt #: 204 total cpu time spent up to now is 824.2 secs Computing kpt #: 205 total cpu time spent up to now is 827.8 secs Computing kpt #: 206 total cpu time spent up to now is 830.9 secs Computing kpt #: 207 total cpu time spent up to now is 834.3 secs Computing kpt #: 208 total cpu time spent up to now is 837.9 secs Computing kpt #: 209 total cpu time spent up to now is 841.4 secs Computing kpt #: 210 total cpu time spent up to now is 844.6 secs ethr = 1.56E-08, avg # of iterations = 55.9 total cpu time spent up to now is 844.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22995 PWs) bands (ev): -15.5832 -15.5832 -15.5504 -15.5504 -11.3487 -11.3487 -10.8558 -10.8558 -10.8558 -10.8558 -10.8281 -10.8281 -10.8076 -10.8076 -10.8076 -10.8076 -4.5115 -4.5115 -4.3721 -4.3721 -3.2276 -3.2276 -3.2276 -3.2276 -2.9861 -2.9861 -2.9861 -2.9861 -0.9982 -0.9982 -0.1509 -0.1509 -0.1509 -0.1509 0.0190 0.0190 0.1857 0.1857 0.1857 0.1857 0.2192 0.2192 0.3230 0.3230 0.3230 0.3230 1.2490 1.2490 1.2490 1.2490 1.3057 1.3057 1.7068 1.7068 1.8785 1.8785 1.8842 1.8842 1.8842 1.8842 1.9447 1.9447 1.9447 1.9447 5.5946 5.5946 5.5946 5.5946 5.6598 5.6598 8.1118 8.1118 8.3003 8.3003 8.3003 8.3003 k = 0.0161-0.0093 0.0132 ( 23020 PWs) bands (ev): -15.5832 -15.5832 -15.5504 -15.5504 -11.3486 -11.3486 -10.8563 -10.8563 -10.8558 -10.8558 -10.8280 -10.8280 -10.8077 -10.8077 -10.8075 -10.8075 -4.5111 -4.5111 -4.3720 -4.3720 -3.2271 -3.2271 -3.2269 -3.2269 -2.9859 -2.9859 -2.9859 -2.9859 -0.9972 -0.9972 -0.1528 -0.1528 -0.1509 -0.1509 0.0188 0.0188 0.1845 0.1845 0.1847 0.1847 0.2207 0.2207 0.3230 0.3230 0.3239 0.3239 1.2485 1.2485 1.2486 1.2486 1.3052 1.3052 1.7059 1.7059 1.8770 1.8770 1.8832 1.8832 1.8834 1.8834 1.9439 1.9439 1.9443 1.9443 5.5948 5.5948 5.5955 5.5955 5.6604 5.6604 8.1154 8.1154 8.3028 8.3028 8.3028 8.3028 k = 0.0323-0.0186 0.0263 ( 23028 PWs) bands (ev): -15.5830 -15.5830 -15.5505 -15.5505 -11.3482 -11.3482 -10.8579 -10.8579 -10.8557 -10.8557 -10.8277 -10.8277 -10.8078 -10.8078 -10.8071 -10.8071 -4.5100 -4.5100 -4.3716 -4.3716 -3.2256 -3.2256 -3.2246 -3.2246 -2.9854 -2.9854 -2.9852 -2.9852 -0.9943 -0.9943 -0.1586 -0.1586 -0.1510 -0.1510 0.0183 0.0183 0.1815 0.1815 0.1817 0.1817 0.2248 0.2248 0.3228 0.3228 0.3264 0.3264 1.2472 1.2472 1.2475 1.2475 1.3039 1.3039 1.7029 1.7029 1.8723 1.8723 1.8805 1.8805 1.8813 1.8813 1.9415 1.9415 1.9432 1.9432 5.5953 5.5953 5.5984 5.5984 5.6624 5.6624 8.1263 8.1263 8.3105 8.3105 8.3105 8.3105 k = 0.0484-0.0279 0.0395 ( 23024 PWs) bands (ev): -15.5829 -15.5829 -15.5505 -15.5505 -11.3476 -11.3476 -10.8603 -10.8603 -10.8557 -10.8557 -10.8274 -10.8274 -10.8080 -10.8080 -10.8064 -10.8064 -4.5081 -4.5081 -4.3711 -4.3711 -3.2231 -3.2231 -3.2209 -3.2209 -2.9844 -2.9844 -2.9840 -2.9840 -0.9894 -0.9894 -0.1679 -0.1679 -0.1511 -0.1511 0.0173 0.0173 0.1768 0.1768 0.1775 0.1775 0.2305 0.2305 0.3226 0.3226 0.3305 0.3305 1.2450 1.2450 1.2457 1.2457 1.3017 1.3017 1.6979 1.6979 1.8645 1.8645 1.8759 1.8759 1.8778 1.8778 1.9374 1.9374 1.9415 1.9415 5.5960 5.5960 5.6032 5.6032 5.6658 5.6658 8.1442 8.1442 8.3231 8.3231 8.3233 8.3233 k = 0.0645-0.0372 0.0527 ( 23020 PWs) bands (ev): -15.5826 -15.5826 -15.5507 -15.5507 -11.3468 -11.3468 -10.8634 -10.8634 -10.8556 -10.8556 -10.8272 -10.8272 -10.8083 -10.8083 -10.8056 -10.8056 -4.5056 -4.5056 -4.3703 -4.3703 -3.2196 -3.2196 -3.2158 -3.2158 -2.9831 -2.9831 -2.9824 -2.9824 -0.9827 -0.9827 -0.1803 -0.1803 -0.1512 -0.1512 0.0158 0.0158 0.1703 0.1703 0.1730 0.1730 0.2369 0.2369 0.3222 0.3222 0.3362 0.3362 1.2419 1.2419 1.2432 1.2432 1.2987 1.2987 1.6909 1.6909 1.8538 1.8538 1.8694 1.8694 1.8729 1.8729 1.9319 1.9319 1.9394 1.9394 5.5967 5.5967 5.6099 5.6099 5.6709 5.6709 8.1689 8.1689 8.3407 8.3407 8.3414 8.3414 k = 0.0806-0.0466 0.0658 ( 23000 PWs) bands (ev): -15.5823 -15.5823 -15.5508 -15.5508 -11.3458 -11.3458 -10.8671 -10.8671 -10.8555 -10.8555 -10.8270 -10.8270 -10.8086 -10.8086 -10.8047 -10.8047 -4.5024 -4.5024 -4.3693 -4.3693 -3.2152 -3.2152 -3.2092 -3.2092 -2.9814 -2.9814 -2.9804 -2.9804 -0.9741 -0.9741 -0.1952 -0.1952 -0.1514 -0.1514 0.0136 0.0136 0.1623 0.1623 0.1682 0.1682 0.2435 0.2435 0.3217 0.3217 0.3433 0.3433 1.2381 1.2381 1.2402 1.2402 1.2949 1.2949 1.6818 1.6818 1.8405 1.8405 1.8612 1.8612 1.8663 1.8663 1.9249 1.9249 1.9370 1.9370 5.5971 5.5971 5.6182 5.6182 5.6777 5.6777 8.1998 8.1998 8.3632 8.3632 8.3648 8.3648 k = 0.0968-0.0559 0.0790 ( 22968 PWs) bands (ev): -15.5819 -15.5819 -15.5510 -15.5510 -11.3446 -11.3446 -10.8712 -10.8712 -10.8553 -10.8553 -10.8269 -10.8269 -10.8090 -10.8090 -10.8037 -10.8037 -4.4985 -4.4985 -4.3681 -4.3681 -3.2098 -3.2098 -3.2012 -3.2012 -2.9793 -2.9793 -2.9780 -2.9780 -0.9638 -0.9638 -0.2123 -0.2123 -0.1516 -0.1516 0.0104 0.0104 0.1532 0.1532 0.1632 0.1632 0.2500 0.2500 0.3211 0.3211 0.3515 0.3515 1.2335 1.2335 1.2366 1.2366 1.2906 1.2906 1.6703 1.6703 1.8250 1.8250 1.8512 1.8512 1.8581 1.8581 1.9167 1.9167 1.9345 1.9345 5.5972 5.5972 5.6283 5.6283 5.6864 5.6864 8.2362 8.2362 8.3904 8.3904 8.3940 8.3940 k = 0.1129-0.0652 0.0922 ( 22964 PWs) bands (ev): -15.5814 -15.5814 -15.5513 -15.5513 -11.3431 -11.3431 -10.8757 -10.8757 -10.8551 -10.8551 -10.8270 -10.8270 -10.8095 -10.8095 -10.8027 -10.8027 -4.4939 -4.4939 -4.3667 -4.3667 -3.2036 -3.2036 -3.1920 -3.1920 -2.9770 -2.9770 -2.9751 -2.9751 -0.9519 -0.9519 -0.2309 -0.2309 -0.1519 -0.1519 0.0060 0.0060 0.1434 0.1434 0.1580 0.1580 0.2561 0.2561 0.3202 0.3202 0.3607 0.3607 1.2281 1.2281 1.2326 1.2326 1.2856 1.2856 1.6565 1.6565 1.8077 1.8077 1.8394 1.8394 1.8481 1.8481 1.9074 1.9074 1.9321 1.9321 5.5968 5.5968 5.6398 5.6398 5.6968 5.6968 8.2770 8.2770 8.4221 8.4221 8.4292 8.4292 k = 0.1290-0.0745 0.1054 ( 22968 PWs) bands (ev): -15.5809 -15.5809 -15.5515 -15.5515 -11.3415 -11.3415 -10.8804 -10.8804 -10.8550 -10.8550 -10.8272 -10.8272 -10.8100 -10.8100 -10.8018 -10.8018 -4.4888 -4.4888 -4.3652 -4.3652 -3.1966 -3.1966 -3.1814 -3.1814 -2.9743 -2.9743 -2.9719 -2.9719 -0.9384 -0.9384 -0.2506 -0.2506 -0.1522 -0.1522 -0.0001 -0.0001 0.1336 0.1336 0.1527 0.1527 0.2618 0.2618 0.3191 0.3191 0.3705 0.3705 1.2221 1.2221 1.2282 1.2282 1.2803 1.2803 1.6402 1.6402 1.7890 1.7890 1.8260 1.8260 1.8364 1.8364 1.8970 1.8970 1.9298 1.9298 5.5960 5.5960 5.6528 5.6528 5.7090 5.7090 8.3204 8.3204 8.4582 8.4582 8.4710 8.4710 k = 0.1452-0.0838 0.1185 ( 22944 PWs) bands (ev): -15.5803 -15.5803 -15.5518 -15.5518 -11.3397 -11.3397 -10.8853 -10.8853 -10.8547 -10.8547 -10.8276 -10.8276 -10.8106 -10.8106 -10.8011 -10.8011 -4.4832 -4.4832 -4.3635 -4.3635 -3.1889 -3.1889 -3.1697 -3.1697 -2.9714 -2.9714 -2.9684 -2.9684 -0.9236 -0.9236 -0.2711 -0.2711 -0.1526 -0.1526 -0.0084 -0.0084 0.1243 0.1243 0.1474 0.1474 0.2669 0.2669 0.3178 0.3178 0.3807 0.3807 1.2154 1.2154 1.2236 1.2236 1.2746 1.2746 1.6212 1.6212 1.7693 1.7693 1.8110 1.8110 1.8232 1.8232 1.8857 1.8857 1.9277 1.9277 5.5948 5.5948 5.6671 5.6671 5.7228 5.7228 8.3633 8.3633 8.4983 8.4983 8.5203 8.5203 k = 0.1613-0.0931 0.1317 ( 22956 PWs) bands (ev): -15.5797 -15.5797 -15.5521 -15.5521 -11.3378 -11.3378 -10.8903 -10.8903 -10.8545 -10.8545 -10.8280 -10.8280 -10.8113 -10.8113 -10.8005 -10.8005 -4.4771 -4.4771 -4.3616 -4.3616 -3.1804 -3.1804 -3.1569 -3.1569 -2.9682 -2.9682 -2.9645 -2.9645 -0.9075 -0.9075 -0.2917 -0.2917 -0.1531 -0.1531 -0.0192 -0.0192 0.1160 0.1160 0.1419 0.1419 0.2715 0.2715 0.3162 0.3162 0.3911 0.3911 1.2082 1.2082 1.2189 1.2189 1.2688 1.2688 1.5995 1.5995 1.7492 1.7492 1.7946 1.7946 1.8088 1.8088 1.8736 1.8736 1.9257 1.9257 5.5932 5.5932 5.6824 5.6824 5.7379 5.7379 8.4001 8.4001 8.5422 8.5422 8.5761 8.5761 k = 0.1774-0.1024 0.1449 ( 22928 PWs) bands (ev): -15.5790 -15.5790 -15.5524 -15.5524 -11.3357 -11.3357 -10.8954 -10.8954 -10.8543 -10.8543 -10.8285 -10.8285 -10.8120 -10.8120 -10.8000 -10.8000 -4.4706 -4.4706 -4.3596 -4.3596 -3.1714 -3.1714 -3.1431 -3.1431 -2.9648 -2.9648 -2.9604 -2.9604 -0.8905 -0.8905 -0.3123 -0.3123 -0.1537 -0.1537 -0.0327 -0.0327 0.1092 0.1092 0.1365 0.1365 0.2755 0.2755 0.3144 0.3144 0.4013 0.4013 1.2005 1.2005 1.2142 1.2142 1.2631 1.2631 1.5751 1.5751 1.7290 1.7290 1.7770 1.7770 1.7932 1.7932 1.8609 1.8609 1.9240 1.9240 5.5913 5.5913 5.6986 5.6986 5.7541 5.7541 8.4189 8.4189 8.5832 8.5832 8.5896 8.5896 k = 0.1935-0.1117 0.1580 ( 22916 PWs) bands (ev): -15.5783 -15.5783 -15.5528 -15.5528 -11.3334 -11.3334 -10.9005 -10.9005 -10.8540 -10.8540 -10.8291 -10.8291 -10.8127 -10.8127 -10.7997 -10.7997 -4.4637 -4.4637 -4.3575 -4.3575 -3.1618 -3.1618 -3.1283 -3.1283 -2.9612 -2.9612 -2.9561 -2.9561 -0.8727 -0.8727 -0.3324 -0.3324 -0.1545 -0.1545 -0.0488 -0.0488 0.1041 0.1041 0.1309 0.1309 0.2790 0.2790 0.3123 0.3123 0.4113 0.4113 1.1924 1.1924 1.2096 1.2096 1.2574 1.2574 1.5481 1.5481 1.7087 1.7087 1.7582 1.7582 1.7769 1.7769 1.8476 1.8476 1.9223 1.9223 5.5891 5.5891 5.7157 5.7157 5.7713 5.7713 8.4091 8.4091 8.6015 8.6015 8.6399 8.6399 k = 0.2097-0.1211 0.1712 ( 22936 PWs) bands (ev): -15.5776 -15.5776 -15.5531 -15.5531 -11.3311 -11.3311 -10.9056 -10.9056 -10.8538 -10.8538 -10.8297 -10.8297 -10.8134 -10.8134 -10.7996 -10.7996 -4.4566 -4.4566 -4.3553 -4.3553 -3.1518 -3.1518 -3.1128 -3.1128 -2.9575 -2.9575 -2.9516 -2.9516 -0.8544 -0.8544 -0.3517 -0.3517 -0.1556 -0.1556 -0.0671 -0.0671 0.1006 0.1006 0.1254 0.1254 0.2819 0.2819 0.3099 0.3099 0.4209 0.4209 1.1839 1.1839 1.2053 1.2053 1.2520 1.2520 1.5189 1.5189 1.6886 1.6886 1.7386 1.7386 1.7599 1.7599 1.8339 1.8339 1.9207 1.9207 5.5868 5.5868 5.7332 5.7332 5.7893 5.7893 8.3788 8.3788 8.6406 8.6406 8.6926 8.6926 k = 0.2258-0.1304 0.1844 ( 22952 PWs) bands (ev): -15.5768 -15.5768 -15.5535 -15.5535 -11.3287 -11.3287 -10.9107 -10.9107 -10.8535 -10.8535 -10.8304 -10.8304 -10.8142 -10.8142 -10.7997 -10.7997 -4.4492 -4.4492 -4.3531 -4.3531 -3.1415 -3.1415 -3.0967 -3.0967 -2.9536 -2.9536 -2.9470 -2.9470 -0.8359 -0.8359 -0.3697 -0.3697 -0.1574 -0.1574 -0.0869 -0.0869 0.0984 0.0984 0.1200 0.1200 0.2843 0.2843 0.3072 0.3072 0.4299 0.4299 1.1751 1.1751 1.2013 1.2013 1.2470 1.2470 1.4878 1.4878 1.6686 1.6686 1.7184 1.7184 1.7426 1.7426 1.8197 1.8197 1.9193 1.9193 5.5844 5.5844 5.7512 5.7512 5.8077 5.8077 8.3396 8.3396 8.6896 8.6896 8.7466 8.7466 k = 0.2419-0.1397 0.1975 ( 22936 PWs) bands (ev): -15.5761 -15.5761 -15.5538 -15.5538 -11.3263 -11.3263 -10.9157 -10.9157 -10.8532 -10.8532 -10.8311 -10.8311 -10.8150 -10.8150 -10.7999 -10.7999 -4.4417 -4.4417 -4.3508 -4.3508 -3.1309 -3.1309 -3.0800 -3.0800 -2.9497 -2.9497 -2.9422 -2.9422 -0.8177 -0.8177 -0.3861 -0.3861 -0.1605 -0.1605 -0.1070 -0.1070 0.0974 0.0974 0.1145 0.1145 0.2863 0.2863 0.3042 0.3042 0.4382 0.4382 1.1661 1.1661 1.1978 1.1978 1.2425 1.2425 1.4554 1.4554 1.6487 1.6487 1.6977 1.6977 1.7253 1.7253 1.8054 1.8054 1.9179 1.9179 5.5820 5.5820 5.7693 5.7693 5.8264 5.8264 8.2969 8.2969 8.7434 8.7434 8.7992 8.7992 k = 0.2581-0.1490 0.2107 ( 22980 PWs) bands (ev): -15.5753 -15.5753 -15.5542 -15.5542 -11.3238 -11.3238 -10.9206 -10.9206 -10.8529 -10.8529 -10.8318 -10.8318 -10.8158 -10.8158 -10.8003 -10.8003 -4.4341 -4.4341 -4.3486 -4.3486 -3.1201 -3.1201 -3.0629 -3.0629 -2.9457 -2.9457 -2.9375 -2.9375 -0.8002 -0.8002 -0.4005 -0.4005 -0.1668 -0.1668 -0.1250 -0.1250 0.0972 0.0972 0.1091 0.1091 0.2878 0.2878 0.3011 0.3011 0.4459 0.4459 1.1570 1.1570 1.1947 1.1947 1.2385 1.2385 1.4220 1.4220 1.6289 1.6289 1.6767 1.6767 1.7082 1.7082 1.7909 1.7909 1.9166 1.9166 5.5795 5.5795 5.7875 5.7875 5.8453 5.8453 8.2529 8.2529 8.8001 8.8001 8.8420 8.8420 k = 0.2742-0.1583 0.2239 ( 22972 PWs) bands (ev): -15.5745 -15.5745 -15.5546 -15.5546 -11.3214 -11.3214 -10.9253 -10.9253 -10.8527 -10.8527 -10.8325 -10.8325 -10.8166 -10.8166 -10.8008 -10.8008 -4.4265 -4.4265 -4.3463 -4.3463 -3.1094 -3.1094 -3.0457 -3.0457 -2.9417 -2.9417 -2.9327 -2.9327 -0.7838 -0.7838 -0.4124 -0.4124 -0.1796 -0.1796 -0.1373 -0.1373 0.0977 0.0977 0.1039 0.1039 0.2888 0.2888 0.2977 0.2977 0.4528 0.4528 1.1479 1.1479 1.1923 1.1923 1.2352 1.2352 1.3881 1.3881 1.6092 1.6092 1.6558 1.6558 1.6914 1.6914 1.7763 1.7763 1.9153 1.9153 5.5770 5.5770 5.8055 5.8055 5.8640 5.8640 8.2089 8.2089 8.8587 8.8587 8.8631 8.8631 k = 0.2903-0.1676 0.2370 ( 22952 PWs) bands (ev): -15.5738 -15.5738 -15.5549 -15.5549 -11.3189 -11.3189 -10.9298 -10.9298 -10.8524 -10.8524 -10.8332 -10.8332 -10.8173 -10.8173 -10.8015 -10.8015 -4.4191 -4.4191 -4.3440 -4.3440 -3.0987 -3.0987 -3.0285 -3.0285 -2.9377 -2.9377 -2.9281 -2.9281 -0.7692 -0.7692 -0.4214 -0.4214 -0.1988 -0.1988 -0.1434 -0.1434 0.0987 0.0987 0.0987 0.0987 0.2894 0.2894 0.2941 0.2941 0.4590 0.4590 1.1389 1.1389 1.1904 1.1904 1.2324 1.2324 1.3543 1.3543 1.5895 1.5895 1.6351 1.6351 1.6751 1.6751 1.7619 1.7619 1.9141 1.9141 5.5746 5.5746 5.8231 5.8231 5.8823 5.8823 8.1656 8.1656 8.8707 8.8707 8.9183 8.9183 k = 0.3065-0.1769 0.2502 ( 22956 PWs) bands (ev): -15.5731 -15.5731 -15.5553 -15.5553 -11.3165 -11.3165 -10.9341 -10.9341 -10.8521 -10.8521 -10.8339 -10.8339 -10.8181 -10.8181 -10.8022 -10.8022 -4.4118 -4.4118 -4.3418 -4.3418 -3.0882 -3.0882 -3.0114 -3.0114 -2.9339 -2.9339 -2.9235 -2.9235 -0.7567 -0.7567 -0.4272 -0.4272 -0.2211 -0.2211 -0.1464 -0.1464 0.0937 0.0937 0.1002 0.1002 0.2897 0.2897 0.2905 0.2905 0.4644 0.4644 1.1302 1.1302 1.1890 1.1890 1.2303 1.2303 1.3211 1.3211 1.5699 1.5699 1.6149 1.6149 1.6596 1.6596 1.7476 1.7476 1.9130 1.9130 5.5723 5.5723 5.8402 5.8402 5.9002 5.9002 8.1235 8.1235 8.8740 8.8740 8.9785 8.9785 k = 0.3226-0.1862 0.2634 ( 22924 PWs) bands (ev): -15.5724 -15.5724 -15.5556 -15.5556 -11.3142 -11.3142 -10.9382 -10.9382 -10.8519 -10.8519 -10.8346 -10.8346 -10.8188 -10.8188 -10.8029 -10.8029 -4.4047 -4.4047 -4.3397 -4.3397 -3.0779 -3.0779 -2.9947 -2.9947 -2.9301 -2.9301 -2.9191 -2.9191 -0.7467 -0.7467 -0.4296 -0.4296 -0.2443 -0.2443 -0.1481 -0.1481 0.0890 0.0890 0.1018 0.1018 0.2867 0.2867 0.2897 0.2897 0.4691 0.4691 1.1217 1.1217 1.1879 1.1879 1.2288 1.2288 1.2892 1.2892 1.5506 1.5506 1.5953 1.5953 1.6449 1.6449 1.7337 1.7337 1.9120 1.9120 5.5700 5.5700 5.8565 5.8565 5.9174 5.9174 8.0832 8.0832 8.8758 8.8758 9.0386 9.0386 k = 0.3387-0.1956 0.2766 ( 22952 PWs) bands (ev): -15.5717 -15.5717 -15.5559 -15.5559 -11.3119 -11.3119 -10.9420 -10.9420 -10.8516 -10.8516 -10.8353 -10.8353 -10.8195 -10.8195 -10.8037 -10.8037 -4.3980 -4.3980 -4.3377 -4.3377 -3.0681 -3.0681 -2.9785 -2.9785 -2.9264 -2.9264 -2.9149 -2.9149 -0.7395 -0.7395 -0.4286 -0.4286 -0.2673 -0.2673 -0.1492 -0.1492 0.0844 0.0844 0.1037 0.1037 0.2830 0.2830 0.2894 0.2894 0.4730 0.4730 1.1136 1.1136 1.1863 1.1863 1.2279 1.2279 1.2598 1.2598 1.5316 1.5316 1.5766 1.5766 1.6312 1.6312 1.7203 1.7203 1.9110 1.9110 5.5680 5.5680 5.8721 5.8721 5.9337 5.9337 8.0449 8.0449 8.8770 8.8770 9.0979 9.0979 k = 0.3548-0.2049 0.2897 ( 22956 PWs) bands (ev): -15.5711 -15.5711 -15.5562 -15.5562 -11.3098 -11.3098 -10.9455 -10.9455 -10.8514 -10.8514 -10.8360 -10.8360 -10.8201 -10.8201 -10.8045 -10.8045 -4.3917 -4.3917 -4.3358 -4.3358 -3.0589 -3.0589 -2.9632 -2.9632 -2.9229 -2.9229 -2.9110 -2.9110 -0.7348 -0.7348 -0.4245 -0.4245 -0.2895 -0.2895 -0.1500 -0.1500 0.0801 0.0801 0.1057 0.1057 0.2794 0.2794 0.2888 0.2888 0.4763 0.4763 1.1060 1.1060 1.1822 1.1822 1.2275 1.2275 1.2351 1.2351 1.5132 1.5132 1.5591 1.5591 1.6185 1.6185 1.7075 1.7075 1.9101 1.9101 5.5660 5.5660 5.8866 5.8866 5.9490 5.9490 8.0092 8.0092 8.8778 8.8778 9.1558 9.1558 k = 0.3710-0.2142 0.3029 ( 22976 PWs) bands (ev): -15.5705 -15.5705 -15.5565 -15.5565 -11.3078 -11.3078 -10.9487 -10.9487 -10.8512 -10.8512 -10.8366 -10.8366 -10.8207 -10.8207 -10.8054 -10.8054 -4.3858 -4.3858 -4.3341 -4.3341 -3.0502 -3.0502 -2.9490 -2.9490 -2.9195 -2.9195 -2.9074 -2.9074 -0.7323 -0.7323 -0.4180 -0.4180 -0.3104 -0.3104 -0.1505 -0.1505 0.0761 0.0761 0.1077 0.1077 0.2759 0.2759 0.2882 0.2882 0.4789 0.4789 1.0990 1.0990 1.1715 1.1715 1.2196 1.2196 1.2276 1.2276 1.4954 1.4954 1.5428 1.5428 1.6069 1.6069 1.6955 1.6955 1.9093 1.9093 5.5642 5.5642 5.9000 5.9000 5.9631 5.9631 7.9764 7.9764 8.8784 8.8784 9.2114 9.2114 k = 0.3871-0.2235 0.3161 ( 22976 PWs) bands (ev): -15.5700 -15.5700 -15.5568 -15.5568 -11.3061 -11.3061 -10.9516 -10.9516 -10.8510 -10.8510 -10.8371 -10.8371 -10.8212 -10.8212 -10.8061 -10.8061 -4.3804 -4.3804 -4.3325 -4.3325 -3.0423 -3.0423 -2.9362 -2.9362 -2.9160 -2.9160 -2.9041 -2.9041 -0.7316 -0.7316 -0.4097 -0.4097 -0.3298 -0.3298 -0.1510 -0.1510 0.0725 0.0725 0.1096 0.1096 0.2726 0.2726 0.2874 0.2874 0.4809 0.4809 1.0926 1.0926 1.1537 1.1537 1.2143 1.2143 1.2279 1.2279 1.4786 1.4786 1.5279 1.5279 1.5965 1.5965 1.6844 1.6844 1.9086 1.9086 5.5627 5.5627 5.9121 5.9121 5.9759 5.9759 7.9467 7.9467 8.8788 8.8788 9.2638 9.2638 k = 0.4032-0.2328 0.3292 ( 22992 PWs) bands (ev): -15.5695 -15.5695 -15.5570 -15.5570 -11.3045 -11.3045 -10.9541 -10.9541 -10.8509 -10.8509 -10.8376 -10.8376 -10.8217 -10.8217 -10.8068 -10.8068 -4.3757 -4.3757 -4.3310 -4.3310 -3.0353 -3.0353 -2.9257 -2.9257 -2.9120 -2.9120 -2.9012 -2.9012 -0.7322 -0.7322 -0.4005 -0.4005 -0.3472 -0.3472 -0.1513 -0.1513 0.0692 0.0692 0.1114 0.1114 0.2696 0.2696 0.2866 0.2866 0.4825 0.4825 1.0870 1.0870 1.1336 1.1336 1.2143 1.2143 1.2286 1.2286 1.4630 1.4630 1.5147 1.5147 1.5873 1.5873 1.6744 1.6744 1.9079 1.9079 5.5613 5.5613 5.9228 5.9228 5.9873 5.9873 7.9204 7.9204 8.8792 8.8792 9.3123 9.3123 k = 0.4194-0.2421 0.3424 ( 22992 PWs) bands (ev): -15.5691 -15.5691 -15.5572 -15.5572 -11.3031 -11.3031 -10.9563 -10.9563 -10.8507 -10.8507 -10.8380 -10.8380 -10.8221 -10.8221 -10.8075 -10.8075 -4.3715 -4.3715 -4.3298 -4.3298 -3.0291 -3.0291 -2.9184 -2.9184 -2.9065 -2.9065 -2.8987 -2.8987 -0.7335 -0.7335 -0.3913 -0.3913 -0.3624 -0.3624 -0.1516 -0.1516 0.0664 0.0664 0.1130 0.1130 0.2670 0.2670 0.2858 0.2858 0.4836 0.4836 1.0821 1.0821 1.1146 1.1146 1.2164 1.2164 1.2294 1.2294 1.4488 1.4488 1.5033 1.5033 1.5795 1.5795 1.6656 1.6656 1.9074 1.9074 5.5601 5.5601 5.9321 5.9321 5.9970 5.9970 7.8978 7.8978 8.8795 8.8795 9.3558 9.3558 k = 0.4355-0.2514 0.3556 ( 22972 PWs) bands (ev): -15.5687 -15.5687 -15.5574 -15.5574 -11.3019 -11.3019 -10.9580 -10.9580 -10.8506 -10.8506 -10.8384 -10.8384 -10.8225 -10.8225 -10.8080 -10.8080 -4.3681 -4.3681 -4.3288 -4.3288 -3.0240 -3.0240 -2.9145 -2.9145 -2.8997 -2.8997 -2.8966 -2.8966 -0.7352 -0.7352 -0.3826 -0.3826 -0.3753 -0.3753 -0.1518 -0.1518 0.0640 0.0640 0.1144 0.1144 0.2647 0.2647 0.2851 0.2851 0.4843 0.4843 1.0780 1.0780 1.0981 1.0981 1.2194 1.2194 1.2302 1.2302 1.4364 1.4364 1.4938 1.4938 1.5730 1.5730 1.6581 1.6581 1.9069 1.9069 5.5591 5.5591 5.9398 5.9398 6.0052 6.0052 7.8790 7.8790 8.8797 8.8797 9.3933 9.3933 k = 0.4516-0.2607 0.3687 ( 22964 PWs) bands (ev): -15.5685 -15.5685 -15.5575 -15.5575 -11.3010 -11.3010 -10.9594 -10.9594 -10.8505 -10.8505 -10.8387 -10.8387 -10.8227 -10.8227 -10.8085 -10.8085 -4.3654 -4.3654 -4.3280 -4.3280 -3.0199 -3.0199 -2.9122 -2.9122 -2.8950 -2.8950 -2.8935 -2.8935 -0.7368 -0.7368 -0.3854 -0.3854 -0.3752 -0.3752 -0.1520 -0.1520 0.0621 0.0621 0.1156 0.1156 0.2629 0.2629 0.2845 0.2845 0.4848 0.4848 1.0748 1.0748 1.0848 1.0848 1.2225 1.2225 1.2309 1.2309 1.4261 1.4261 1.4862 1.4862 1.5679 1.5679 1.6522 1.6522 1.9065 1.9065 5.5583 5.5583 5.9459 5.9459 6.0116 6.0116 7.8642 7.8642 8.8799 8.8799 9.4239 9.4239 k = 0.4677-0.2701 0.3819 ( 22964 PWs) bands (ev): -15.5683 -15.5683 -15.5576 -15.5576 -11.3003 -11.3003 -10.9604 -10.9604 -10.8504 -10.8504 -10.8389 -10.8389 -10.8229 -10.8229 -10.8088 -10.8088 -4.3634 -4.3634 -4.3274 -4.3274 -3.0169 -3.0169 -2.9108 -2.9108 -2.8938 -2.8938 -2.8888 -2.8888 -0.7381 -0.7381 -0.3928 -0.3928 -0.3696 -0.3696 -0.1521 -0.1521 0.0608 0.0608 0.1164 0.1164 0.2616 0.2616 0.2841 0.2841 0.4851 0.4851 1.0725 1.0725 1.0751 1.0751 1.2251 1.2251 1.2316 1.2316 1.4184 1.4184 1.4808 1.4808 1.5642 1.5642 1.6479 1.6479 1.9063 1.9063 5.5577 5.5577 5.9502 5.9502 6.0162 6.0162 7.8535 7.8535 8.8800 8.8800 9.4464 9.4464 k = 0.4839-0.2794 0.3951 ( 22984 PWs) bands (ev): -15.5682 -15.5682 -15.5576 -15.5576 -11.2999 -11.2999 -10.9610 -10.9610 -10.8504 -10.8504 -10.8390 -10.8390 -10.8231 -10.8231 -10.8090 -10.8090 -4.3622 -4.3622 -4.3271 -4.3271 -3.0151 -3.0151 -2.9100 -2.9100 -2.8931 -2.8931 -2.8858 -2.8858 -0.7389 -0.7389 -0.3973 -0.3973 -0.3661 -0.3661 -0.1521 -0.1521 0.0600 0.0600 0.1169 0.1169 0.2608 0.2608 0.2838 0.2838 0.4852 0.4852 1.0691 1.0691 1.0711 1.0711 1.2269 1.2269 1.2320 1.2320 1.4136 1.4136 1.4775 1.4775 1.5620 1.5620 1.6452 1.6452 1.9061 1.9061 5.5574 5.5574 5.9529 5.9529 6.0190 6.0190 7.8471 7.8471 8.8800 8.8800 9.4603 9.4603 k = 0.5000-0.2887 0.4082 ( 22972 PWs) bands (ev): -15.5681 -15.5681 -15.5576 -15.5576 -11.2998 -11.2998 -10.9612 -10.9612 -10.8504 -10.8504 -10.8390 -10.8390 -10.8231 -10.8231 -10.8091 -10.8091 -4.3618 -4.3618 -4.3269 -4.3269 -3.0145 -3.0145 -2.9097 -2.9097 -2.8928 -2.8928 -2.8848 -2.8848 -0.7392 -0.7392 -0.3988 -0.3988 -0.3649 -0.3649 -0.1521 -0.1521 0.0597 0.0597 0.1171 0.1171 0.2605 0.2605 0.2837 0.2837 0.4853 0.4853 1.0671 1.0671 1.0707 1.0707 1.2275 1.2275 1.2321 1.2321 1.4119 1.4119 1.4764 1.4764 1.5612 1.5612 1.6443 1.6443 1.9061 1.9061 5.5573 5.5573 5.9537 5.9537 6.0200 6.0200 7.8449 7.8449 8.8801 8.8801 9.4650 9.4650 k = 0.5000-0.2887 0.4082 ( 22972 PWs) bands (ev): -15.5681 -15.5681 -15.5576 -15.5576 -11.2998 -11.2998 -10.9612 -10.9612 -10.8504 -10.8504 -10.8390 -10.8390 -10.8231 -10.8231 -10.8091 -10.8091 -4.3618 -4.3618 -4.3269 -4.3269 -3.0145 -3.0145 -2.9097 -2.9097 -2.8928 -2.8928 -2.8848 -2.8848 -0.7392 -0.7392 -0.3988 -0.3988 -0.3649 -0.3649 -0.1521 -0.1521 0.0597 0.0597 0.1171 0.1171 0.2605 0.2605 0.2837 0.2837 0.4853 0.4853 1.0671 1.0671 1.0707 1.0707 1.2275 1.2275 1.2321 1.2321 1.4119 1.4119 1.4764 1.4764 1.5612 1.5612 1.6443 1.6443 1.9061 1.9061 5.5573 5.5573 5.9537 5.9537 6.0200 6.0200 7.8449 7.8449 8.8801 8.8801 9.4650 9.4650 k = 0.5000-0.2706 0.4210 ( 22978 PWs) bands (ev): -15.5681 -15.5681 -15.5577 -15.5577 -11.2997 -11.2997 -10.9613 -10.9613 -10.8512 -10.8512 -10.8385 -10.8385 -10.8228 -10.8228 -10.8091 -10.8091 -4.3618 -4.3618 -4.3270 -4.3270 -3.0143 -3.0143 -2.9098 -2.9098 -2.8932 -2.8932 -2.8848 -2.8848 -0.7384 -0.7384 -0.3979 -0.3979 -0.3655 -0.3655 -0.1536 -0.1536 0.0589 0.0589 0.1163 0.1163 0.2616 0.2616 0.2847 0.2847 0.4847 0.4847 1.0685 1.0685 1.0708 1.0708 1.2271 1.2271 1.2318 1.2318 1.4128 1.4128 1.4772 1.4772 1.5606 1.5606 1.6436 1.6436 1.9053 1.9053 5.5582 5.5582 5.9532 5.9532 6.0194 6.0194 7.8466 7.8466 8.8784 8.8784 9.4677 9.4677 k = 0.5000-0.2526 0.4338 ( 22972 PWs) bands (ev): -15.5680 -15.5680 -15.5577 -15.5577 -11.2996 -11.2996 -10.9616 -10.9616 -10.8532 -10.8532 -10.8374 -10.8374 -10.8217 -10.8217 -10.8091 -10.8091 -4.3615 -4.3615 -4.3272 -4.3272 -3.0135 -3.0135 -2.9100 -2.9100 -2.8941 -2.8941 -2.8846 -2.8846 -0.7361 -0.7361 -0.3953 -0.3953 -0.3675 -0.3675 -0.1577 -0.1577 0.0564 0.0564 0.1139 0.1139 0.2645 0.2645 0.2880 0.2880 0.4831 0.4831 1.0697 1.0697 1.0738 1.0738 1.2260 1.2260 1.2312 1.2312 1.4153 1.4153 1.4797 1.4797 1.5585 1.5585 1.6414 1.6414 1.9029 1.9029 5.5611 5.5611 5.9515 5.9515 6.0178 6.0178 7.8517 7.8517 8.8735 8.8735 9.4757 9.4757 k = 0.5000-0.2345 0.4465 ( 22972 PWs) bands (ev): -15.5679 -15.5679 -15.5579 -15.5579 -11.2994 -11.2994 -10.9620 -10.9620 -10.8558 -10.8558 -10.8362 -10.8362 -10.8202 -10.8202 -10.8091 -10.8091 -4.3611 -4.3611 -4.3276 -4.3276 -3.0122 -3.0122 -2.9104 -2.9104 -2.8956 -2.8956 -2.8844 -2.8844 -0.7321 -0.7321 -0.3910 -0.3910 -0.3709 -0.3709 -0.1640 -0.1640 0.0518 0.0518 0.1107 0.1107 0.2687 0.2687 0.2937 0.2937 0.4805 0.4805 1.0694 1.0694 1.0812 1.0812 1.2239 1.2239 1.2303 1.2303 1.4188 1.4188 1.4843 1.4843 1.5551 1.5551 1.6378 1.6378 1.8989 1.8989 5.5658 5.5658 5.9485 5.9485 6.0154 6.0154 7.8601 7.8601 8.8655 8.8655 9.4890 9.4890 k = 0.5000-0.2165 0.4593 ( 22966 PWs) bands (ev): -15.5677 -15.5677 -15.5580 -15.5580 -11.2990 -11.2990 -10.9626 -10.9626 -10.8586 -10.8586 -10.8351 -10.8351 -10.8182 -10.8182 -10.8090 -10.8090 -4.3606 -4.3606 -4.3282 -4.3282 -3.0104 -3.0104 -2.9110 -2.9110 -2.8975 -2.8975 -2.8842 -2.8842 -0.7266 -0.7266 -0.3851 -0.3851 -0.3756 -0.3756 -0.1721 -0.1721 0.0447 0.0447 0.1072 0.1072 0.2735 0.2735 0.3020 0.3020 0.4767 0.4767 1.0692 1.0692 1.0915 1.0915 1.2208 1.2208 1.2294 1.2294 1.4226 1.4226 1.4913 1.4913 1.5503 1.5503 1.6330 1.6330 1.8934 1.8934 5.5724 5.5724 5.9440 5.9440 6.0124 6.0124 7.8716 7.8716 8.8544 8.8544 9.5074 9.5074 k = 0.5000-0.1985 0.4720 ( 22966 PWs) bands (ev): -15.5675 -15.5675 -15.5583 -15.5583 -11.2986 -11.2986 -10.9633 -10.9633 -10.8614 -10.8614 -10.8343 -10.8343 -10.8162 -10.8162 -10.8087 -10.8087 -4.3599 -4.3599 -4.3288 -4.3288 -3.0082 -3.0082 -2.9118 -2.9118 -2.8996 -2.8996 -2.8840 -2.8840 -0.7196 -0.7196 -0.3832 -0.3832 -0.3763 -0.3763 -0.1812 -0.1812 0.0346 0.0346 0.1040 0.1040 0.2787 0.2787 0.3126 0.3126 0.4720 0.4720 1.0692 1.0692 1.1042 1.1042 1.2168 1.2168 1.2285 1.2285 1.4260 1.4260 1.5013 1.5013 1.5440 1.5440 1.6272 1.6272 1.8863 1.8863 5.5807 5.5807 5.9378 5.9378 6.0091 6.0091 7.8860 7.8860 8.8406 8.8406 9.5309 9.5309 k = 0.5000-0.1804 0.4848 ( 22968 PWs) bands (ev): -15.5672 -15.5672 -15.5585 -15.5585 -11.2982 -11.2982 -10.9642 -10.9642 -10.8642 -10.8642 -10.8335 -10.8335 -10.8146 -10.8146 -10.8079 -10.8079 -4.3590 -4.3590 -4.3296 -4.3296 -3.0054 -3.0054 -2.9132 -2.9132 -2.9018 -2.9018 -2.8839 -2.8839 -0.7110 -0.7110 -0.3912 -0.3912 -0.3673 -0.3673 -0.1907 -0.1907 0.0216 0.0216 0.1016 0.1016 0.2841 0.2841 0.3248 0.3248 0.4662 0.4662 1.0698 1.0698 1.1187 1.1187 1.2122 1.2122 1.2276 1.2276 1.4286 1.4286 1.5140 1.5140 1.5363 1.5363 1.6207 1.6207 1.8778 1.8778 5.5907 5.5907 5.9296 5.9296 6.0060 6.0060 7.9030 7.9030 8.8243 8.8243 9.5588 9.5588 k = 0.5000-0.1624 0.4976 ( 22978 PWs) bands (ev): -15.5669 -15.5669 -15.5588 -15.5588 -11.2977 -11.2977 -10.9651 -10.9651 -10.8667 -10.8667 -10.8329 -10.8329 -10.8135 -10.8135 -10.8066 -10.8066 -4.3581 -4.3581 -4.3306 -4.3306 -3.0022 -3.0022 -2.9152 -2.9152 -2.9038 -2.9038 -2.8838 -2.8838 -0.7011 -0.7011 -0.4013 -0.4013 -0.3564 -0.3564 -0.1999 -0.1999 0.0058 0.0058 0.1000 0.1000 0.2901 0.2901 0.3379 0.3379 0.4594 0.4594 1.0711 1.0711 1.1346 1.1346 1.2072 1.2072 1.2269 1.2269 1.4304 1.4304 1.5251 1.5251 1.5312 1.5312 1.6138 1.6138 1.8677 1.8677 5.6023 5.6023 5.9195 5.9195 6.0031 6.0031 7.9221 7.9221 8.8058 8.8058 9.5904 9.5904 k = 0.5000-0.1443 0.5103 ( 22976 PWs) bands (ev): -15.5666 -15.5666 -15.5592 -15.5592 -11.2972 -11.2972 -10.9661 -10.9661 -10.8691 -10.8691 -10.8323 -10.8323 -10.8131 -10.8131 -10.8047 -10.8047 -4.3570 -4.3570 -4.3316 -4.3316 -2.9986 -2.9986 -2.9180 -2.9180 -2.9054 -2.9054 -2.8838 -2.8838 -0.6898 -0.6898 -0.4134 -0.4134 -0.3440 -0.3440 -0.2083 -0.2083 -0.0121 -0.0121 0.0990 0.0990 0.2966 0.2966 0.3512 0.3512 0.4518 0.4518 1.0733 1.0733 1.1504 1.1504 1.2028 1.2028 1.2265 1.2265 1.4315 1.4315 1.5152 1.5152 1.5475 1.5475 1.6068 1.6068 1.8562 1.8562 5.6153 5.6153 5.9073 5.9073 6.0007 6.0007 7.9429 7.9429 8.7857 8.7857 9.6233 9.6233 k = 0.5000-0.1263 0.5231 ( 22974 PWs) bands (ev): -15.5662 -15.5662 -15.5596 -15.5596 -11.2967 -11.2967 -10.9671 -10.9671 -10.8712 -10.8712 -10.8318 -10.8318 -10.8131 -10.8131 -10.8027 -10.8027 -4.3558 -4.3558 -4.3328 -4.3328 -2.9947 -2.9947 -2.9215 -2.9215 -2.9066 -2.9066 -2.8837 -2.8837 -0.6773 -0.6773 -0.4273 -0.4273 -0.3303 -0.3303 -0.2157 -0.2157 -0.0319 -0.0319 0.0985 0.0985 0.3036 0.3036 0.3642 0.3642 0.4435 0.4435 1.0764 1.0764 1.1631 1.1631 1.2011 1.2011 1.2271 1.2271 1.4320 1.4320 1.5024 1.5024 1.5664 1.5664 1.6002 1.6002 1.8433 1.8433 5.6298 5.6298 5.8934 5.8934 5.9988 5.9988 7.9647 7.9647 8.7645 8.7645 9.6554 9.6554 k = 0.5000-0.1083 0.5358 ( 22978 PWs) bands (ev): -15.5658 -15.5658 -15.5600 -15.5600 -11.2962 -11.2962 -10.9680 -10.9680 -10.8730 -10.8730 -10.8313 -10.8313 -10.8132 -10.8132 -10.8007 -10.8007 -4.3545 -4.3545 -4.3340 -4.3340 -2.9904 -2.9904 -2.9257 -2.9257 -2.9075 -2.9075 -2.8837 -2.8837 -0.6636 -0.6636 -0.4427 -0.4427 -0.3153 -0.3153 -0.2216 -0.2216 -0.0529 -0.0529 0.0982 0.0982 0.3111 0.3111 0.3765 0.3765 0.4345 0.4345 1.0804 1.0804 1.1674 1.1674 1.2053 1.2053 1.2307 1.2307 1.4322 1.4322 1.4880 1.4880 1.5852 1.5852 1.5955 1.5955 1.8290 1.8290 5.6454 5.6454 5.8780 5.8780 5.9972 5.9972 7.9869 7.9869 8.7430 8.7430 9.6872 9.6872 k = 0.5000-0.0902 0.5486 ( 22978 PWs) bands (ev): -15.5654 -15.5654 -15.5604 -15.5604 -11.2957 -11.2957 -10.9689 -10.9689 -10.8746 -10.8746 -10.8309 -10.8309 -10.8134 -10.8134 -10.7989 -10.7989 -4.3532 -4.3532 -4.3353 -4.3353 -2.9858 -2.9858 -2.9303 -2.9303 -2.9081 -2.9081 -2.8837 -2.8837 -0.6488 -0.6488 -0.4594 -0.4594 -0.2995 -0.2995 -0.2260 -0.2260 -0.0748 -0.0748 0.0982 0.0982 0.3191 0.3191 0.3876 0.3876 0.4251 0.4251 1.0853 1.0853 1.1640 1.1640 1.2105 1.2105 1.2412 1.2412 1.4321 1.4321 1.4723 1.4723 1.5869 1.5869 1.6093 1.6093 1.8136 1.8136 5.6620 5.6620 5.8612 5.8612 5.9960 5.9960 8.0085 8.0085 8.7219 8.7219 9.7199 9.7199 k = 0.5000-0.0722 0.5613 ( 22976 PWs) bands (ev): -15.5649 -15.5649 -15.5609 -15.5609 -11.2953 -11.2953 -10.9697 -10.9697 -10.8759 -10.8759 -10.8305 -10.8305 -10.8136 -10.8136 -10.7974 -10.7974 -4.3519 -4.3519 -4.3366 -4.3366 -2.9809 -2.9809 -2.9353 -2.9353 -2.9086 -2.9086 -2.8837 -2.8837 -0.6332 -0.6332 -0.4770 -0.4770 -0.2836 -0.2836 -0.2283 -0.2283 -0.0972 -0.0972 0.0983 0.0983 0.3275 0.3275 0.3971 0.3971 0.4154 0.4154 1.0911 1.0911 1.1574 1.1574 1.2125 1.2125 1.2580 1.2580 1.4318 1.4318 1.4556 1.4556 1.5826 1.5826 1.6305 1.6305 1.7970 1.7970 5.6794 5.6794 5.8436 5.8436 5.9951 5.9951 8.0286 8.0286 8.7023 8.7023 9.7541 9.7541 k = 0.5000-0.0541 0.5741 ( 22968 PWs) bands (ev): -15.5644 -15.5644 -15.5614 -15.5614 -11.2950 -11.2950 -10.9704 -10.9704 -10.8769 -10.8769 -10.8302 -10.8302 -10.8138 -10.8138 -10.7962 -10.7962 -4.3506 -4.3506 -4.3378 -4.3378 -2.9759 -2.9759 -2.9404 -2.9404 -2.9089 -2.9089 -2.8838 -2.8838 -0.6170 -0.6170 -0.4949 -0.4949 -0.2690 -0.2690 -0.2272 -0.2272 -0.1197 -0.1197 0.0984 0.0984 0.3361 0.3361 0.4043 0.4043 0.4063 0.4063 1.0976 1.0976 1.1496 1.1496 1.2130 1.2130 1.2770 1.2770 1.4304 1.4304 1.4394 1.4394 1.5789 1.5789 1.6520 1.6520 1.7794 1.7794 5.6972 5.6972 5.8256 5.8256 5.9945 5.9945 8.0460 8.0460 8.6853 8.6853 9.7900 9.7900 k = 0.5000-0.0361 0.5869 ( 22948 PWs) bands (ev): -15.5639 -15.5639 -15.5619 -15.5619 -11.2947 -11.2947 -10.9709 -10.9709 -10.8776 -10.8776 -10.8300 -10.8300 -10.8140 -10.8140 -10.7953 -10.7953 -4.3494 -4.3494 -4.3390 -4.3390 -2.9710 -2.9710 -2.9454 -2.9454 -2.9091 -2.9091 -2.8838 -2.8838 -0.6008 -0.6008 -0.5125 -0.5125 -0.2587 -0.2587 -0.2201 -0.2201 -0.1420 -0.1420 0.0985 0.0985 0.3445 0.3445 0.3965 0.3965 0.4107 0.4107 1.1045 1.1045 1.1416 1.1416 1.2129 1.2129 1.2954 1.2954 1.4199 1.4199 1.4331 1.4331 1.5762 1.5762 1.6732 1.6732 1.7612 1.7612 5.7147 5.7147 5.8078 5.8078 5.9940 5.9940 8.0596 8.0596 8.6721 8.6721 9.8274 9.8274 k = 0.5000-0.0180 0.5996 ( 22932 PWs) bands (ev): -15.5634 -15.5634 -15.5624 -15.5624 -11.2946 -11.2946 -10.9712 -10.9712 -10.8780 -10.8780 -10.8298 -10.8298 -10.8141 -10.8141 -10.7947 -10.7947 -4.3486 -4.3486 -4.3398 -4.3398 -2.9666 -2.9666 -2.9499 -2.9499 -2.9093 -2.9093 -2.8838 -2.8838 -0.5863 -0.5863 -0.5278 -0.5278 -0.2541 -0.2541 -0.2064 -0.2064 -0.1632 -0.1632 0.0986 0.0986 0.3516 0.3516 0.3889 0.3889 0.4142 0.4142 1.1112 1.1112 1.1341 1.1341 1.2128 1.2128 1.3100 1.3100 1.4070 1.4070 1.4325 1.4325 1.5745 1.5745 1.6929 1.6929 1.7433 1.7433 5.7302 5.7302 5.7921 5.7921 5.9938 5.9938 8.0682 8.0682 8.6636 8.6636 9.8661 9.8661 k = 0.5000 0.0000 0.6124 ( 22940 PWs) bands (ev): -15.5629 -15.5629 -15.5629 -15.5629 -11.2945 -11.2945 -10.9713 -10.9713 -10.8782 -10.8782 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3482 -4.3482 -4.3402 -4.3402 -2.9644 -2.9644 -2.9522 -2.9522 -2.9093 -2.9093 -2.8838 -2.8838 -0.5792 -0.5792 -0.5352 -0.5352 -0.2530 -0.2530 -0.1942 -0.1942 -0.1776 -0.1776 0.0986 0.0986 0.3547 0.3547 0.3855 0.3855 0.4153 0.4153 1.1149 1.1149 1.1302 1.1302 1.2127 1.2127 1.3160 1.3160 1.4015 1.4015 1.4323 1.4323 1.5739 1.5739 1.7043 1.7043 1.7325 1.7325 5.7377 5.7377 5.7846 5.7846 5.9937 5.9937 8.0712 8.0712 8.6607 8.6607 9.9044 9.9062 k = 0.5000 0.0000 0.6124 ( 22940 PWs) bands (ev): -15.5629 -15.5629 -15.5629 -15.5629 -11.2945 -11.2945 -10.9713 -10.9713 -10.8782 -10.8782 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3482 -4.3482 -4.3402 -4.3402 -2.9644 -2.9644 -2.9522 -2.9522 -2.9093 -2.9093 -2.8838 -2.8838 -0.5792 -0.5792 -0.5352 -0.5352 -0.2530 -0.2530 -0.1942 -0.1942 -0.1776 -0.1776 0.0986 0.0986 0.3547 0.3547 0.3855 0.3855 0.4153 0.4153 1.1149 1.1149 1.1302 1.1302 1.2127 1.2127 1.3160 1.3160 1.4015 1.4015 1.4323 1.4323 1.5739 1.5739 1.7043 1.7043 1.7325 1.7325 5.7377 5.7377 5.7846 5.7846 5.9937 5.9937 8.0712 8.0712 8.6607 8.6607 9.9042 9.9070 k = 0.4886 0.0197 0.6124 ( 22932 PWs) bands (ev): -15.5633 -15.5633 -15.5625 -15.5625 -11.2946 -11.2946 -10.9712 -10.9712 -10.8782 -10.8782 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3485 -4.3485 -4.3401 -4.3401 -2.9657 -2.9657 -2.9511 -2.9511 -2.9093 -2.9093 -2.8839 -2.8839 -0.5829 -0.5829 -0.5313 -0.5313 -0.2540 -0.2540 -0.2016 -0.2016 -0.1684 -0.1684 0.0985 0.0985 0.3518 0.3518 0.3861 0.3861 0.4174 0.4174 1.1127 1.1127 1.1322 1.1322 1.2130 1.2130 1.3126 1.3126 1.4039 1.4039 1.4335 1.4335 1.5753 1.5753 1.6975 1.6975 1.7389 1.7389 5.7335 5.7335 5.7889 5.7889 5.9933 5.9933 8.0706 8.0706 8.6620 8.6620 9.8774 9.8774 k = 0.4773 0.0394 0.6124 ( 22952 PWs) bands (ev): -15.5636 -15.5636 -15.5622 -15.5622 -11.2947 -11.2947 -10.9708 -10.9708 -10.8783 -10.8783 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3490 -4.3490 -4.3399 -4.3399 -2.9687 -2.9687 -2.9491 -2.9491 -2.9093 -2.9093 -2.8840 -2.8840 -0.5913 -0.5913 -0.5222 -0.5222 -0.2570 -0.2570 -0.2112 -0.2112 -0.1535 -0.1535 0.0980 0.0980 0.3437 0.3437 0.3891 0.3891 0.4217 0.4217 1.1080 1.1080 1.1359 1.1359 1.2142 1.2142 1.3041 1.3041 1.4090 1.4090 1.4367 1.4367 1.5797 1.5797 1.6843 1.6843 1.7508 1.7508 5.7237 5.7237 5.7988 5.7988 5.9919 5.9919 8.0689 8.0689 8.6658 8.6658 9.8504 9.8504 k = 0.4659 0.0590 0.6124 ( 22968 PWs) bands (ev): -15.5639 -15.5639 -15.5619 -15.5619 -11.2950 -11.2950 -10.9702 -10.9702 -10.8785 -10.8785 -10.8299 -10.8299 -10.8141 -10.8141 -10.7945 -10.7945 -4.3498 -4.3498 -4.3396 -4.3396 -2.9721 -2.9721 -2.9472 -2.9472 -2.9093 -2.9093 -2.8842 -2.8842 -0.6014 -0.6014 -0.5110 -0.5110 -0.2619 -0.2619 -0.2188 -0.2188 -0.1377 -0.1377 0.0972 0.0972 0.3332 0.3332 0.3938 0.3938 0.4263 0.4263 1.1027 1.1027 1.1395 1.1395 1.2164 1.2164 1.2931 1.2931 1.4141 1.4141 1.4417 1.4417 1.5869 1.5869 1.6694 1.6694 1.7633 1.7633 5.7121 5.7121 5.8110 5.8110 5.9897 5.9897 8.0661 8.0661 8.6716 8.6716 9.8249 9.8249 k = 0.4545 0.0787 0.6124 ( 22986 PWs) bands (ev): -15.5642 -15.5642 -15.5617 -15.5617 -11.2952 -11.2952 -10.9695 -10.9695 -10.8787 -10.8787 -10.8299 -10.8299 -10.8141 -10.8141 -10.7945 -10.7945 -4.3506 -4.3506 -4.3394 -4.3394 -2.9755 -2.9755 -2.9457 -2.9457 -2.9091 -2.9091 -2.8844 -2.8844 -0.6115 -0.6115 -0.4992 -0.4992 -0.2677 -0.2677 -0.2247 -0.2247 -0.1221 -0.1221 0.0961 0.0961 0.3222 0.3222 0.3988 0.3988 0.4309 0.4309 1.0975 1.0975 1.1422 1.1422 1.2195 1.2195 1.2817 1.2817 1.4178 1.4178 1.4481 1.4481 1.5964 1.5964 1.6540 1.6540 1.7751 1.7751 5.7002 5.7002 5.8239 5.8239 5.9867 5.9867 8.0627 8.0627 8.6789 8.6789 9.8005 9.8005 k = 0.4432 0.0984 0.6124 ( 22982 PWs) bands (ev): -15.5644 -15.5644 -15.5614 -15.5614 -11.2955 -11.2955 -10.9686 -10.9686 -10.8791 -10.8791 -10.8299 -10.8299 -10.8140 -10.8140 -10.7945 -10.7945 -4.3514 -4.3514 -4.3392 -4.3392 -2.9787 -2.9787 -2.9447 -2.9447 -2.9088 -2.9088 -2.8845 -2.8845 -0.6211 -0.6211 -0.4876 -0.4876 -0.2736 -0.2736 -0.2295 -0.2295 -0.1070 -0.1070 0.0945 0.0945 0.3117 0.3117 0.4037 0.4037 0.4350 0.4350 1.0928 1.0928 1.1441 1.1441 1.2229 1.2229 1.2710 1.2710 1.4198 1.4198 1.4560 1.4560 1.6071 1.6071 1.6386 1.6386 1.7859 1.7859 5.6889 5.6889 5.8369 5.8369 5.9829 5.9829 8.0588 8.0588 8.6870 8.6870 9.7762 9.7762 k = 0.4318 0.1181 0.6124 ( 22990 PWs) bands (ev): -15.5646 -15.5646 -15.5613 -15.5613 -11.2958 -11.2958 -10.9678 -10.9678 -10.8794 -10.8794 -10.8299 -10.8299 -10.8139 -10.8139 -10.7945 -10.7945 -4.3522 -4.3522 -4.3391 -4.3391 -2.9816 -2.9816 -2.9441 -2.9441 -2.9084 -2.9084 -2.8846 -2.8846 -0.6296 -0.6296 -0.4768 -0.4768 -0.2788 -0.2788 -0.2338 -0.2338 -0.0931 -0.0931 0.0927 0.0927 0.3023 0.3023 0.4081 0.4081 0.4386 0.4386 1.0886 1.0886 1.1452 1.1452 1.2258 1.2258 1.2622 1.2622 1.4204 1.4204 1.4649 1.4649 1.6162 1.6162 1.6250 1.6250 1.7953 1.7953 5.6786 5.6786 5.8494 5.8494 5.9784 5.9784 8.0548 8.0548 8.6954 8.6954 9.7506 9.7506 k = 0.4205 0.1378 0.6124 ( 22964 PWs) bands (ev): -15.5648 -15.5648 -15.5611 -15.5611 -11.2961 -11.2961 -10.9670 -10.9670 -10.8798 -10.8798 -10.8299 -10.8299 -10.8139 -10.8139 -10.7946 -10.7946 -4.3528 -4.3528 -4.3390 -4.3390 -2.9840 -2.9840 -2.9438 -2.9438 -2.9080 -2.9080 -2.8847 -2.8847 -0.6369 -0.6369 -0.4671 -0.4671 -0.2830 -0.2830 -0.2380 -0.2380 -0.0807 -0.0807 0.0907 0.0907 0.2942 0.2942 0.4118 0.4118 0.4416 0.4416 1.0851 1.0851 1.1457 1.1457 1.2269 1.2269 1.2564 1.2564 1.4201 1.4201 1.4748 1.4748 1.6066 1.6066 1.6298 1.6298 1.8033 1.8033 5.6698 5.6698 5.8612 5.8612 5.9735 5.9735 8.0510 8.0510 8.7034 8.7034 9.7244 9.7244 k = 0.4091 0.1575 0.6124 ( 22972 PWs) bands (ev): -15.5650 -15.5650 -15.5610 -15.5610 -11.2963 -11.2963 -10.9663 -10.9663 -10.8802 -10.8802 -10.8298 -10.8298 -10.8138 -10.8138 -10.7946 -10.7946 -4.3534 -4.3534 -4.3390 -4.3390 -2.9860 -2.9860 -2.9438 -2.9438 -2.9076 -2.9076 -2.8847 -2.8847 -0.6427 -0.6427 -0.4591 -0.4591 -0.2859 -0.2859 -0.2418 -0.2418 -0.0704 -0.0704 0.0888 0.0888 0.2877 0.2877 0.4147 0.4147 0.4440 0.4440 1.0823 1.0823 1.1459 1.1459 1.2257 1.2257 1.2541 1.2541 1.4193 1.4193 1.4851 1.4851 1.5925 1.5925 1.6384 1.6384 1.8096 1.8096 5.6626 5.6626 5.8716 5.8716 5.9684 5.9684 8.0478 8.0478 8.7102 8.7102 9.7007 9.7007 k = 0.3977 0.1771 0.6124 ( 22978 PWs) bands (ev): -15.5651 -15.5651 -15.5609 -15.5609 -11.2965 -11.2965 -10.9658 -10.9658 -10.8805 -10.8805 -10.8298 -10.8298 -10.8138 -10.8138 -10.7946 -10.7946 -4.3538 -4.3538 -4.3390 -4.3390 -2.9874 -2.9874 -2.9438 -2.9438 -2.9073 -2.9073 -2.8847 -2.8847 -0.6470 -0.6470 -0.4530 -0.4530 -0.2876 -0.2876 -0.2451 -0.2451 -0.0625 -0.0625 0.0871 0.0871 0.2830 0.2830 0.4169 0.4169 0.4458 0.4458 1.0803 1.0803 1.1460 1.1460 1.2232 1.2232 1.2542 1.2542 1.4185 1.4185 1.4951 1.4951 1.5796 1.5796 1.6450 1.6450 1.8141 1.8141 5.6574 5.6574 5.8802 5.8802 5.9637 5.9637 8.0453 8.0453 8.7156 8.7156 9.6823 9.6823 k = 0.3864 0.1968 0.6124 ( 22980 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9654 -10.9654 -10.8807 -10.8807 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3540 -4.3540 -4.3389 -4.3389 -2.9883 -2.9883 -2.9439 -2.9439 -2.9071 -2.9071 -2.8847 -2.8847 -0.6496 -0.6496 -0.4493 -0.4493 -0.2885 -0.2885 -0.2473 -0.2473 -0.0576 -0.0576 0.0859 0.0859 0.2801 0.2801 0.4181 0.4181 0.4469 0.4469 1.0791 1.0791 1.1459 1.1459 1.2212 1.2212 1.2549 1.2549 1.4179 1.4179 1.5032 1.5032 1.5698 1.5698 1.6492 1.6492 1.8169 1.8169 5.6542 5.6542 5.8860 5.8860 5.9603 5.9603 8.0437 8.0437 8.7189 8.7189 9.6708 9.6708 k = 0.3750 0.2165 0.6124 ( 22966 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9653 -10.9653 -10.8808 -10.8808 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3541 -4.3541 -4.3389 -4.3389 -2.9886 -2.9886 -2.9439 -2.9439 -2.9070 -2.9070 -2.8847 -2.8847 -0.6504 -0.6504 -0.4480 -0.4480 -0.2887 -0.2887 -0.2481 -0.2481 -0.0559 -0.0559 0.0855 0.0855 0.2792 0.2792 0.4186 0.4186 0.4472 0.4472 1.0787 1.0787 1.1459 1.1459 1.2204 1.2204 1.2552 1.2552 1.4177 1.4177 1.5065 1.5065 1.5659 1.5659 1.6506 1.6506 1.8179 1.8179 5.6531 5.6531 5.8881 5.8881 5.9590 5.9590 8.0432 8.0432 8.7201 8.7201 9.6669 9.6669 k = 0.3750 0.2165 0.6124 ( 22966 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9653 -10.9653 -10.8808 -10.8808 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3541 -4.3541 -4.3389 -4.3389 -2.9886 -2.9886 -2.9439 -2.9439 -2.9070 -2.9070 -2.8847 -2.8847 -0.6504 -0.6504 -0.4480 -0.4480 -0.2887 -0.2887 -0.2481 -0.2481 -0.0559 -0.0559 0.0855 0.0855 0.2792 0.2792 0.4186 0.4186 0.4472 0.4472 1.0787 1.0787 1.1459 1.1459 1.2204 1.2204 1.2552 1.2552 1.4177 1.4177 1.5065 1.5065 1.5659 1.5659 1.6506 1.6506 1.8179 1.8179 5.6531 5.6531 5.8881 5.8881 5.9590 5.9590 8.0432 8.0432 8.7201 8.7201 9.6669 9.6669 k = 0.3636 0.2099 0.5938 ( 22988 PWs) bands (ev): -15.5646 -15.5646 -15.5614 -15.5614 -11.2966 -11.2966 -10.9648 -10.9648 -10.8833 -10.8833 -10.8294 -10.8294 -10.8141 -10.8141 -10.7920 -10.7920 -4.3534 -4.3534 -4.3414 -4.3414 -2.9854 -2.9854 -2.9516 -2.9516 -2.9085 -2.9085 -2.8857 -2.8857 -0.6365 -0.6365 -0.4606 -0.4606 -0.2871 -0.2871 -0.2397 -0.2397 -0.0722 -0.0722 0.0841 0.0841 0.2785 0.2785 0.4131 0.4131 0.4643 0.4643 1.0815 1.0815 1.1362 1.1362 1.2359 1.2359 1.2642 1.2642 1.3966 1.3966 1.5208 1.5208 1.5809 1.5809 1.6565 1.6565 1.8044 1.8044 5.6663 5.6663 5.8768 5.8768 5.9491 5.9491 8.0764 8.0764 8.6985 8.6985 9.6837 9.6837 k = 0.3523 0.2034 0.5753 ( 22984 PWs) bands (ev): -15.5641 -15.5641 -15.5620 -15.5620 -11.2968 -11.2968 -10.9638 -10.9638 -10.8856 -10.8856 -10.8292 -10.8292 -10.8145 -10.8145 -10.7894 -10.7894 -4.3530 -4.3530 -4.3440 -4.3440 -2.9829 -2.9829 -2.9594 -2.9594 -2.9103 -2.9103 -2.8870 -2.8870 -0.6227 -0.6227 -0.4731 -0.4731 -0.2934 -0.2934 -0.2215 -0.2215 -0.0874 -0.0874 0.0829 0.0829 0.2773 0.2773 0.4051 0.4051 0.4830 0.4830 1.0847 1.0847 1.1261 1.1261 1.2473 1.2473 1.2764 1.2764 1.3790 1.3790 1.5354 1.5354 1.5964 1.5964 1.6627 1.6627 1.7911 1.7911 5.6792 5.6792 5.8649 5.8649 5.9388 5.9388 8.1110 8.1110 8.6774 8.6774 9.6978 9.6978 k = 0.3409 0.1968 0.5567 ( 22966 PWs) bands (ev): -15.5635 -15.5635 -15.5627 -15.5627 -11.2972 -11.2972 -10.9625 -10.9625 -10.8877 -10.8877 -10.8290 -10.8290 -10.8148 -10.8148 -10.7871 -10.7871 -4.3535 -4.3535 -4.3460 -4.3460 -2.9821 -2.9821 -2.9664 -2.9664 -2.9126 -2.9126 -2.8885 -2.8885 -0.6096 -0.6096 -0.4848 -0.4848 -0.3017 -0.3017 -0.1998 -0.1998 -0.1009 -0.1009 0.0820 0.0820 0.2755 0.2755 0.3966 0.3966 0.5013 0.5013 1.0882 1.0882 1.1159 1.1159 1.2555 1.2555 1.2873 1.2873 1.3687 1.3687 1.5503 1.5503 1.6125 1.6125 1.6689 1.6689 1.7785 1.7785 5.6915 5.6915 5.8526 5.8526 5.9282 5.9282 8.1468 8.1468 8.6572 8.6572 9.7101 9.7137 k = 0.3295 0.1903 0.5381 ( 22966 PWs) bands (ev): -15.5634 -15.5634 -15.5629 -15.5629 -11.2978 -11.2978 -10.9606 -10.9606 -10.8896 -10.8896 -10.8290 -10.8290 -10.8152 -10.8152 -10.7849 -10.7849 -4.3557 -4.3557 -4.3470 -4.3470 -2.9857 -2.9857 -2.9698 -2.9698 -2.9156 -2.9156 -2.8903 -2.8903 -0.5988 -0.5988 -0.4943 -0.4943 -0.3099 -0.3099 -0.1776 -0.1776 -0.1114 -0.1114 0.0814 0.0814 0.2731 0.2731 0.3881 0.3881 0.5183 0.5183 1.0914 1.0914 1.1065 1.1065 1.2625 1.2625 1.2905 1.2905 1.3707 1.3707 1.5653 1.5653 1.6289 1.6289 1.6746 1.6746 1.7673 1.7673 5.7029 5.7029 5.8400 5.8400 5.9174 5.9174 8.1834 8.1834 8.6383 8.6383 9.6672 9.6672 k = 0.3182 0.1837 0.5196 ( 22962 PWs) bands (ev): -15.5642 -15.5642 -15.5623 -15.5623 -11.2986 -11.2986 -10.9583 -10.9583 -10.8913 -10.8913 -10.8290 -10.8290 -10.8156 -10.8156 -10.7830 -10.7830 -4.3592 -4.3592 -4.3471 -4.3471 -2.9937 -2.9937 -2.9697 -2.9697 -2.9196 -2.9196 -2.8922 -2.8922 -0.5925 -0.5925 -0.4994 -0.4994 -0.3173 -0.3173 -0.1587 -0.1587 -0.1161 -0.1161 0.0811 0.0811 0.2703 0.2703 0.3797 0.3797 0.5337 0.5337 1.0902 1.0902 1.1022 1.1022 1.2689 1.2689 1.2864 1.2864 1.3843 1.3843 1.5803 1.5803 1.6455 1.6455 1.6794 1.6794 1.7583 1.7583 5.7133 5.7133 5.8273 5.8273 5.9063 5.9063 8.2205 8.2205 8.6208 8.6208 9.6115 9.6115 k = 0.3068 0.1771 0.5010 ( 22980 PWs) bands (ev): -15.5650 -15.5650 -15.5617 -15.5617 -11.2997 -11.2997 -10.9555 -10.9555 -10.8927 -10.8927 -10.8290 -10.8290 -10.8160 -10.8160 -10.7813 -10.7813 -4.3636 -4.3636 -4.3469 -4.3469 -3.0034 -3.0034 -2.9686 -2.9686 -2.9247 -2.9247 -2.8940 -2.8940 -0.5930 -0.5930 -0.4977 -0.4977 -0.3238 -0.3238 -0.1506 -0.1506 -0.1075 -0.1075 0.0810 0.0810 0.2671 0.2671 0.3715 0.3715 0.5473 0.5473 1.0822 1.0822 1.1055 1.1055 1.2740 1.2740 1.2813 1.2813 1.4040 1.4040 1.5951 1.5951 1.6618 1.6618 1.6829 1.6829 1.7525 1.7525 5.7223 5.7223 5.8145 5.8145 5.8950 5.8950 8.2579 8.2579 8.6050 8.6050 9.5537 9.5537 k = 0.2955 0.1706 0.4825 ( 22970 PWs) bands (ev): -15.5658 -15.5658 -15.5610 -15.5610 -11.3010 -11.3010 -10.9523 -10.9523 -10.8938 -10.8938 -10.8291 -10.8291 -10.8163 -10.8163 -10.7798 -10.7798 -4.3685 -4.3685 -4.3467 -4.3467 -3.0140 -3.0140 -2.9677 -2.9677 -2.9310 -2.9310 -2.8958 -2.8958 -0.6006 -0.6006 -0.4889 -0.4889 -0.3292 -0.3292 -0.1515 -0.1515 -0.0879 -0.0879 0.0813 0.0813 0.2636 0.2636 0.3638 0.3638 0.5588 0.5588 1.0733 1.0733 1.1108 1.1108 1.2727 1.2727 1.2839 1.2839 1.4263 1.4263 1.6095 1.6095 1.6757 1.6757 1.6869 1.6869 1.7507 1.7507 5.7297 5.7297 5.8019 5.8019 5.8837 5.8837 8.2952 8.2952 8.5911 8.5911 9.4944 9.4944 k = 0.2841 0.1640 0.4639 ( 22974 PWs) bands (ev): -15.5666 -15.5666 -15.5604 -15.5604 -11.3025 -11.3025 -10.9485 -10.9485 -10.8947 -10.8947 -10.8293 -10.8293 -10.8166 -10.8166 -10.7786 -10.7786 -4.3739 -4.3739 -4.3465 -4.3465 -3.0250 -3.0250 -2.9672 -2.9672 -2.9386 -2.9386 -2.8975 -2.8975 -0.6133 -0.6133 -0.4753 -0.4753 -0.3334 -0.3334 -0.1536 -0.1536 -0.0654 -0.0654 0.0819 0.0819 0.2599 0.2599 0.3564 0.3564 0.5679 0.5679 1.0651 1.0651 1.1169 1.1169 1.2709 1.2709 1.2898 1.2898 1.4497 1.4497 1.6230 1.6230 1.6805 1.6805 1.6990 1.6990 1.7526 1.7526 5.7351 5.7351 5.7898 5.7898 5.8724 5.8724 8.3323 8.3323 8.5792 8.5792 9.4338 9.4338 k = 0.2727 0.1575 0.4454 ( 22970 PWs) bands (ev): -15.5675 -15.5675 -15.5597 -15.5597 -11.3043 -11.3043 -10.9444 -10.9444 -10.8953 -10.8953 -10.8294 -10.8294 -10.8170 -10.8170 -10.7777 -10.7777 -4.3797 -4.3797 -4.3466 -4.3466 -3.0363 -3.0363 -2.9674 -2.9674 -2.9472 -2.9472 -2.8993 -2.8993 -0.6290 -0.6290 -0.4587 -0.4587 -0.3363 -0.3363 -0.1543 -0.1543 -0.0429 -0.0429 0.0830 0.0830 0.2562 0.2562 0.3495 0.3495 0.5746 0.5746 1.0584 1.0584 1.1235 1.1235 1.2722 1.2722 1.2957 1.2957 1.4733 1.4733 1.6348 1.6348 1.6824 1.6824 1.7148 1.7148 1.7575 1.7575 5.7379 5.7379 5.7786 5.7786 5.8612 5.8612 8.3688 8.3688 8.5696 8.5696 9.3722 9.3722 k = 0.2614 0.1509 0.4268 ( 22974 PWs) bands (ev): -15.5684 -15.5684 -15.5591 -15.5591 -11.3063 -11.3063 -10.9399 -10.9399 -10.8956 -10.8956 -10.8296 -10.8296 -10.8172 -10.8172 -10.7770 -10.7770 -4.3859 -4.3859 -4.3467 -4.3467 -3.0478 -3.0478 -2.9690 -2.9690 -2.9560 -2.9560 -2.9012 -2.9012 -0.6467 -0.6467 -0.4403 -0.4403 -0.3378 -0.3378 -0.1530 -0.1530 -0.0216 -0.0216 0.0846 0.0846 0.2526 0.2526 0.3431 0.3431 0.5788 0.5788 1.0536 1.0536 1.1306 1.1306 1.2769 1.2769 1.3011 1.3011 1.4969 1.4969 1.6441 1.6441 1.6869 1.6869 1.7310 1.7310 1.7642 1.7642 5.7373 5.7373 5.7692 5.7692 5.8503 5.8503 8.4045 8.4045 8.5623 8.5623 9.3099 9.3099 k = 0.2500 0.1443 0.4082 ( 23002 PWs) bands (ev): -15.5693 -15.5693 -15.5585 -15.5585 -11.3084 -11.3084 -10.9350 -10.9350 -10.8957 -10.8957 -10.8298 -10.8298 -10.8175 -10.8175 -10.7766 -10.7766 -4.3924 -4.3924 -4.3471 -4.3471 -3.0595 -3.0595 -2.9750 -2.9750 -2.9620 -2.9620 -2.9034 -2.9034 -0.6657 -0.6657 -0.4210 -0.4210 -0.3381 -0.3381 -0.1495 -0.1495 -0.0022 -0.0022 0.0869 0.0869 0.2492 0.2492 0.3371 0.3371 0.5803 0.5803 1.0510 1.0510 1.1380 1.1380 1.2850 1.2850 1.3060 1.3060 1.5201 1.5201 1.6508 1.6508 1.6953 1.6953 1.7470 1.7470 1.7721 1.7721 5.7327 5.7327 5.7621 5.7621 5.8397 5.8397 8.4393 8.4393 8.5573 8.5573 9.2470 9.2470 k = 0.2386 0.1378 0.3897 ( 22972 PWs) bands (ev): -15.5702 -15.5702 -15.5578 -15.5578 -11.3107 -11.3107 -10.9298 -10.9298 -10.8955 -10.8955 -10.8299 -10.8299 -10.8176 -10.8176 -10.7765 -10.7765 -4.3991 -4.3991 -4.3476 -4.3476 -3.0713 -3.0713 -2.9860 -2.9860 -2.9644 -2.9644 -2.9059 -2.9059 -0.6855 -0.6855 -0.4010 -0.4010 -0.3370 -0.3370 -0.1437 -0.1437 0.0149 0.0149 0.0901 0.0901 0.2462 0.2462 0.3317 0.3317 0.5793 0.5793 1.0511 1.0511 1.1457 1.1457 1.2957 1.2957 1.3106 1.3106 1.5429 1.5429 1.6566 1.6566 1.7065 1.7065 1.7626 1.7626 1.7808 1.7808 5.7248 5.7248 5.7565 5.7565 5.8295 5.8295 8.4728 8.4728 8.5548 8.5548 9.1837 9.1837 k = 0.2273 0.1312 0.3711 ( 22966 PWs) bands (ev): -15.5711 -15.5711 -15.5572 -15.5572 -11.3131 -11.3131 -10.9243 -10.9243 -10.8950 -10.8950 -10.8301 -10.8301 -10.8177 -10.8177 -10.7766 -10.7766 -4.4061 -4.4061 -4.3483 -4.3483 -3.0830 -3.0830 -2.9991 -2.9991 -2.9658 -2.9658 -2.9088 -2.9088 -0.7060 -0.7060 -0.3807 -0.3807 -0.3347 -0.3347 -0.1358 -0.1358 0.0292 0.0292 0.0943 0.0943 0.2436 0.2436 0.3267 0.3267 0.5756 0.5756 1.0538 1.0538 1.1537 1.1537 1.3053 1.3053 1.3186 1.3186 1.5650 1.5650 1.6631 1.6631 1.7193 1.7193 1.7778 1.7778 1.7900 1.7900 5.7151 5.7151 5.7510 5.7510 5.8198 5.8198 8.5049 8.5049 8.5548 8.5548 9.1203 9.1203 k = 0.2159 0.1247 0.3526 ( 22962 PWs) bands (ev): -15.5721 -15.5721 -15.5566 -15.5566 -11.3156 -11.3156 -10.9188 -10.9188 -10.8943 -10.8943 -10.8302 -10.8302 -10.8177 -10.8177 -10.7770 -10.7770 -4.4133 -4.4133 -4.3492 -4.3492 -3.0946 -3.0946 -3.0134 -3.0134 -2.9671 -2.9671 -2.9121 -2.9121 -0.7269 -0.7269 -0.3603 -0.3603 -0.3310 -0.3310 -0.1260 -0.1260 0.0406 0.0406 0.0997 0.0997 0.2416 0.2416 0.3223 0.3223 0.5696 0.5696 1.0590 1.0590 1.1618 1.1618 1.3090 1.3090 1.3346 1.3346 1.5865 1.5865 1.6714 1.6714 1.7326 1.7326 1.7925 1.7925 1.7995 1.7995 5.7049 5.7049 5.7446 5.7446 5.8105 5.8105 8.5353 8.5353 8.5572 8.5572 9.0570 9.0570 k = 0.2045 0.1181 0.3340 ( 22954 PWs) bands (ev): -15.5730 -15.5730 -15.5560 -15.5560 -11.3181 -11.3181 -10.9131 -10.9131 -10.8933 -10.8933 -10.8304 -10.8304 -10.8177 -10.8177 -10.7777 -10.7777 -4.4207 -4.4207 -4.3503 -4.3503 -3.1062 -3.1062 -3.0285 -3.0285 -2.9684 -2.9684 -2.9158 -2.9158 -0.7481 -0.7481 -0.3401 -0.3401 -0.3260 -0.3260 -0.1145 -0.1145 0.0494 0.0494 0.1061 0.1061 0.2403 0.2403 0.3183 0.3183 0.5611 0.5611 1.0667 1.0667 1.1699 1.1699 1.3096 1.3096 1.3555 1.3555 1.6072 1.6072 1.6818 1.6818 1.7460 1.7460 1.8066 1.8066 1.8093 1.8093 5.6946 5.6946 5.7369 5.7369 5.8014 5.8014 8.5616 8.5616 8.5640 8.5640 8.9942 8.9942 k = 0.1932 0.1115 0.3155 ( 22960 PWs) bands (ev): -15.5739 -15.5739 -15.5555 -15.5555 -11.3207 -11.3207 -10.9073 -10.9073 -10.8920 -10.8920 -10.8305 -10.8305 -10.8175 -10.8175 -10.7786 -10.7786 -4.4281 -4.4281 -4.3515 -4.3515 -3.1175 -3.1175 -3.0442 -3.0442 -2.9698 -2.9698 -2.9199 -2.9199 -0.7694 -0.7694 -0.3205 -0.3205 -0.3196 -0.3196 -0.1016 -0.1016 0.0560 0.0560 0.1132 0.1132 0.2397 0.2397 0.3148 0.3148 0.5505 0.5505 1.0764 1.0764 1.1781 1.1781 1.3088 1.3088 1.3796 1.3796 1.6271 1.6271 1.6941 1.6941 1.7591 1.7591 1.8190 1.8190 1.8204 1.8204 5.6845 5.6845 5.7282 5.7282 5.7923 5.7923 8.5689 8.5689 8.5896 8.5896 8.9323 8.9323 k = 0.1818 0.1050 0.2969 ( 22988 PWs) bands (ev): -15.5748 -15.5748 -15.5549 -15.5549 -11.3233 -11.3233 -10.9016 -10.9016 -10.8905 -10.8905 -10.8305 -10.8305 -10.8173 -10.8173 -10.7798 -10.7798 -4.4356 -4.4356 -4.3529 -4.3529 -3.1285 -3.1285 -3.0602 -3.0602 -2.9712 -2.9712 -2.9245 -2.9245 -0.7906 -0.7906 -0.3124 -0.3124 -0.3010 -0.3010 -0.0877 -0.0877 0.0614 0.0614 0.1205 0.1205 0.2398 0.2398 0.3118 0.3118 0.5380 0.5380 1.0879 1.0879 1.1862 1.1862 1.3072 1.3072 1.4061 1.4061 1.6463 1.6463 1.7082 1.7082 1.7718 1.7718 1.8292 1.8292 1.8333 1.8333 5.6749 5.6749 5.7187 5.7187 5.7829 5.7829 8.5780 8.5780 8.6116 8.6116 8.8721 8.8721 k = 0.1705 0.0984 0.2784 ( 22966 PWs) bands (ev): -15.5757 -15.5757 -15.5544 -15.5544 -11.3259 -11.3259 -10.8960 -10.8960 -10.8888 -10.8888 -10.8305 -10.8305 -10.8170 -10.8170 -10.7812 -10.7812 -4.4430 -4.4430 -4.3543 -4.3543 -3.1393 -3.1393 -3.0764 -3.0764 -2.9726 -2.9726 -2.9293 -2.9293 -0.8116 -0.8116 -0.3038 -0.3038 -0.2825 -0.2825 -0.0733 -0.0733 0.0662 0.0662 0.1277 0.1277 0.2404 0.2404 0.3093 0.3093 0.5236 0.5236 1.1008 1.1008 1.1941 1.1941 1.3051 1.3051 1.4346 1.4346 1.6648 1.6648 1.7236 1.7236 1.7839 1.7839 1.8394 1.8394 1.8457 1.8457 5.6657 5.6657 5.7086 5.7086 5.7733 5.7733 8.5890 8.5890 8.6270 8.6270 8.8145 8.8145 k = 0.1591 0.0919 0.2598 ( 22958 PWs) bands (ev): -15.5765 -15.5765 -15.5539 -15.5539 -11.3285 -11.3285 -10.8907 -10.8907 -10.8868 -10.8868 -10.8304 -10.8304 -10.8165 -10.8165 -10.7829 -10.7829 -4.4504 -4.4504 -4.3559 -4.3559 -3.1496 -3.1496 -3.0925 -3.0925 -2.9740 -2.9740 -2.9344 -2.9344 -0.8322 -0.8322 -0.2942 -0.2942 -0.2649 -0.2649 -0.0588 -0.0588 0.0709 0.0709 0.1345 0.1345 0.2416 0.2416 0.3072 0.3072 0.5078 0.5078 1.1146 1.1146 1.2018 1.2018 1.3026 1.3026 1.4644 1.4644 1.6828 1.6828 1.7399 1.7399 1.7955 1.7955 1.8496 1.8496 1.8575 1.8575 5.6570 5.6570 5.6981 5.6981 5.7632 5.7632 8.6013 8.6013 8.6282 8.6282 8.7575 8.7575 k = 0.1477 0.0853 0.2412 ( 22944 PWs) bands (ev): -15.5774 -15.5774 -15.5534 -15.5534 -11.3309 -11.3309 -10.8859 -10.8859 -10.8843 -10.8843 -10.8303 -10.8303 -10.8160 -10.8160 -10.7847 -10.7847 -4.4576 -4.4576 -4.3575 -4.3575 -3.1595 -3.1595 -3.1084 -3.1084 -2.9754 -2.9754 -2.9396 -2.9396 -0.8523 -0.8523 -0.2836 -0.2836 -0.2484 -0.2484 -0.0447 -0.0447 0.0762 0.0762 0.1409 0.1409 0.2432 0.2432 0.3057 0.3057 0.4908 0.4908 1.1291 1.1291 1.2091 1.2091 1.3002 1.3002 1.4949 1.4949 1.7003 1.7003 1.7566 1.7566 1.8064 1.8064 1.8597 1.8597 1.8686 1.8686 5.6489 5.6489 5.6875 5.6875 5.7528 5.7528 8.6030 8.6030 8.6132 8.6132 8.6985 8.6985 k = 0.1364 0.0787 0.2227 ( 22940 PWs) bands (ev): -15.5782 -15.5782 -15.5530 -15.5530 -11.3333 -11.3333 -10.8828 -10.8828 -10.8803 -10.8803 -10.8301 -10.8301 -10.8155 -10.8155 -10.7867 -10.7867 -4.4646 -4.4646 -4.3591 -4.3591 -3.1689 -3.1689 -3.1238 -3.1238 -2.9768 -2.9768 -2.9450 -2.9450 -0.8716 -0.8716 -0.2722 -0.2722 -0.2331 -0.2331 -0.0317 -0.0317 0.0824 0.0824 0.1468 0.1468 0.2449 0.2449 0.3048 0.3048 0.4728 0.4728 1.1439 1.1439 1.2161 1.2161 1.2978 1.2978 1.5254 1.5254 1.7175 1.7175 1.7733 1.7733 1.8167 1.8167 1.8697 1.8697 1.8791 1.8791 5.6412 5.6412 5.6769 5.6769 5.7420 5.7420 8.5546 8.5546 8.6167 8.6167 8.6427 8.6427 k = 0.1250 0.0722 0.2041 ( 22926 PWs) bands (ev): -15.5789 -15.5789 -15.5526 -15.5526 -11.3356 -11.3356 -10.8802 -10.8802 -10.8760 -10.8760 -10.8297 -10.8297 -10.8148 -10.8148 -10.7889 -10.7889 -4.4713 -4.4713 -4.3608 -4.3608 -3.1777 -3.1777 -3.1387 -3.1387 -2.9782 -2.9782 -2.9503 -2.9503 -0.8901 -0.8901 -0.2600 -0.2600 -0.2191 -0.2191 -0.0201 -0.0201 0.0900 0.0900 0.1524 0.1524 0.2464 0.2464 0.3045 0.3045 0.4543 0.4543 1.1586 1.1586 1.2225 1.2225 1.2958 1.2958 1.5551 1.5551 1.7346 1.7346 1.7897 1.7897 1.8263 1.8263 1.8794 1.8794 1.8889 1.8889 5.6342 5.6342 5.6665 5.6665 5.7312 5.7312 8.4973 8.4973 8.5892 8.5892 8.5912 8.5912 k = 0.1136 0.0656 0.1856 ( 22962 PWs) bands (ev): -15.5796 -15.5796 -15.5522 -15.5522 -11.3377 -11.3377 -10.8775 -10.8775 -10.8720 -10.8720 -10.8293 -10.8293 -10.8141 -10.8141 -10.7911 -10.7911 -4.4776 -4.4776 -4.3624 -4.3624 -3.1860 -3.1860 -3.1529 -3.1529 -2.9794 -2.9794 -2.9556 -2.9556 -0.9075 -0.9075 -0.2473 -0.2473 -0.2065 -0.2065 -0.0104 -0.0104 0.0989 0.0989 0.1576 0.1576 0.2476 0.2476 0.3049 0.3049 0.4355 0.4355 1.1730 1.1730 1.2284 1.2284 1.2944 1.2944 1.5832 1.5832 1.7518 1.7518 1.8053 1.8053 1.8354 1.8354 1.8888 1.8888 1.8980 1.8980 5.6277 5.6277 5.6564 5.6564 5.7204 5.7204 8.4387 8.4387 8.5425 8.5425 8.5454 8.5454 k = 0.1023 0.0590 0.1670 ( 22958 PWs) bands (ev): -15.5803 -15.5803 -15.5519 -15.5519 -11.3397 -11.3397 -10.8748 -10.8748 -10.8685 -10.8685 -10.8289 -10.8289 -10.8133 -10.8133 -10.7935 -10.7935 -4.4836 -4.4836 -4.3640 -4.3640 -3.1936 -3.1936 -3.1661 -3.1661 -2.9806 -2.9806 -2.9607 -2.9607 -0.9238 -0.9238 -0.2342 -0.2342 -0.1953 -0.1953 -0.0026 -0.0026 0.1091 0.1091 0.1625 0.1625 0.2481 0.2481 0.3060 0.3060 0.4169 0.4169 1.1867 1.1867 1.2335 1.2335 1.2935 1.2935 1.6090 1.6090 1.7692 1.7692 1.8199 1.8199 1.8438 1.8438 1.8978 1.8978 1.9065 1.9065 5.6217 5.6217 5.6465 5.6465 5.7099 5.7099 8.3822 8.3822 8.4982 8.4982 8.5009 8.5009 k = 0.0909 0.0525 0.1485 ( 22963 PWs) bands (ev): -15.5808 -15.5808 -15.5516 -15.5516 -11.3415 -11.3415 -10.8720 -10.8720 -10.8654 -10.8654 -10.8284 -10.8284 -10.8125 -10.8125 -10.7959 -10.7959 -4.4891 -4.4891 -4.3656 -4.3656 -3.2005 -3.2005 -3.1784 -3.1784 -2.9817 -2.9817 -2.9656 -2.9656 -0.9387 -0.9387 -0.2209 -0.2209 -0.1854 -0.1854 0.0034 0.0034 0.1202 0.1202 0.1669 0.1669 0.2476 0.2476 0.3077 0.3077 0.3989 0.3989 1.1995 1.1995 1.2379 1.2379 1.2934 1.2934 1.6318 1.6318 1.7867 1.7867 1.8332 1.8332 1.8516 1.8516 1.9063 1.9063 1.9142 1.9142 5.6163 5.6163 5.6372 5.6372 5.7000 5.7000 8.3293 8.3293 8.4579 8.4579 8.4598 8.4598 k = 0.0795 0.0459 0.1299 ( 22973 PWs) bands (ev): -15.5814 -15.5814 -15.5513 -15.5513 -11.3431 -11.3431 -10.8692 -10.8692 -10.8629 -10.8629 -10.8279 -10.8279 -10.8116 -10.8116 -10.7982 -10.7982 -4.4941 -4.4941 -4.3670 -4.3670 -3.2067 -3.2067 -3.1895 -3.1895 -2.9827 -2.9827 -2.9700 -2.9700 -0.9521 -0.9521 -0.2077 -0.2077 -0.1769 -0.1769 0.0081 0.0081 0.1317 0.1317 0.1710 0.1710 0.2461 0.2461 0.3100 0.3100 0.3820 0.3820 1.2111 1.2111 1.2414 1.2414 1.2941 1.2941 1.6513 1.6513 1.8043 1.8043 1.8451 1.8451 1.8587 1.8587 1.9143 1.9143 1.9211 1.9211 5.6114 5.6114 5.6284 5.6284 5.6909 5.6909 8.2808 8.2808 8.4218 8.4218 8.4229 8.4229 k = 0.0682 0.0394 0.1113 ( 22973 PWs) bands (ev): -15.5819 -15.5819 -15.5510 -15.5510 -11.3446 -11.3446 -10.8664 -10.8664 -10.8608 -10.8608 -10.8276 -10.8276 -10.8108 -10.8108 -10.8005 -10.8005 -4.4986 -4.4986 -4.3683 -4.3683 -3.2122 -3.2122 -3.1993 -3.1993 -2.9836 -2.9836 -2.9741 -2.9741 -0.9641 -0.9641 -0.1950 -0.1950 -0.1698 -0.1698 0.0115 0.0115 0.1431 0.1431 0.1746 0.1746 0.2434 0.2434 0.3125 0.3125 0.3666 0.3666 1.2213 1.2213 1.2441 1.2441 1.2955 1.2955 1.6674 1.6674 1.8214 1.8214 1.8554 1.8554 1.8651 1.8651 1.9217 1.9217 1.9273 1.9273 5.6071 5.6071 5.6203 5.6203 5.6828 5.6828 8.2376 8.2376 8.3900 8.3900 8.3907 8.3907 k = 0.0568 0.0328 0.0928 ( 22987 PWs) bands (ev): -15.5823 -15.5823 -15.5508 -15.5508 -11.3458 -11.3458 -10.8638 -10.8638 -10.8592 -10.8592 -10.8274 -10.8274 -10.8099 -10.8099 -10.8025 -10.8025 -4.5024 -4.5024 -4.3694 -4.3694 -3.2168 -3.2168 -3.2078 -3.2078 -2.9844 -2.9844 -2.9776 -2.9776 -0.9743 -0.9743 -0.1831 -0.1831 -0.1638 -0.1638 0.0141 0.0141 0.1538 0.1538 0.1778 0.1778 0.2396 0.2396 0.3152 0.3152 0.3532 0.3532 1.2299 1.2299 1.2460 1.2460 1.2975 1.2975 1.6804 1.6804 1.8374 1.8374 1.8640 1.8640 1.8706 1.8706 1.9282 1.9282 1.9325 1.9325 5.6034 5.6034 5.6130 5.6130 5.6758 5.6758 8.2001 8.2001 8.3629 8.3629 8.3632 8.3632 k = 0.0455 0.0262 0.0742 ( 23019 PWs) bands (ev): -15.5826 -15.5826 -15.5507 -15.5507 -11.3468 -11.3468 -10.8613 -10.8613 -10.8579 -10.8579 -10.8273 -10.8273 -10.8092 -10.8092 -10.8043 -10.8043 -4.5056 -4.5056 -4.3703 -4.3703 -3.2207 -3.2207 -3.2148 -3.2148 -2.9850 -2.9850 -2.9806 -2.9806 -0.9828 -0.9828 -0.1724 -0.1724 -0.1591 -0.1591 0.0160 0.0160 0.1636 0.1636 0.1805 0.1805 0.2349 0.2349 0.3177 0.3177 0.3422 0.3422 1.2369 1.2369 1.2473 1.2473 1.2998 1.2998 1.6904 1.6904 1.8516 1.8516 1.8710 1.8710 1.8753 1.8753 1.9339 1.9339 1.9369 1.9369 5.6003 5.6003 5.6067 5.6067 5.6700 5.6700 8.1688 8.1688 8.3405 8.3405 8.3407 8.3407 k = 0.0341 0.0197 0.0557 ( 23029 PWs) bands (ev): -15.5829 -15.5829 -15.5505 -15.5505 -11.3477 -11.3477 -10.8591 -10.8591 -10.8569 -10.8569 -10.8275 -10.8275 -10.8085 -10.8085 -10.8057 -10.8057 -4.5082 -4.5082 -4.3711 -4.3711 -3.2237 -3.2237 -3.2204 -3.2204 -2.9855 -2.9855 -2.9830 -2.9830 -0.9895 -0.9895 -0.1635 -0.1635 -0.1554 -0.1554 0.0174 0.0174 0.1722 0.1722 0.1827 0.1827 0.2296 0.2296 0.3199 0.3199 0.3337 0.3337 1.2423 1.2423 1.2481 1.2481 1.3021 1.3021 1.6978 1.6978 1.8634 1.8634 1.8764 1.8764 1.8791 1.8791 1.9385 1.9385 1.9403 1.9403 5.5978 5.5978 5.6015 5.6015 5.6655 5.6655 8.1441 8.1441 8.3230 8.3230 8.3230 8.3230 k = 0.0227 0.0131 0.0371 ( 23025 PWs) bands (ev): -15.5830 -15.5830 -15.5505 -15.5505 -11.3482 -11.3482 -10.8573 -10.8573 -10.8563 -10.8563 -10.8278 -10.8278 -10.8080 -10.8080 -10.8068 -10.8068 -4.5100 -4.5100 -4.3717 -4.3717 -3.2259 -3.2259 -3.2244 -3.2244 -2.9858 -2.9858 -2.9847 -2.9847 -0.9943 -0.9943 -0.1566 -0.1566 -0.1529 -0.1529 0.0183 0.0183 0.1791 0.1791 0.1843 0.1843 0.2246 0.2246 0.3216 0.3216 0.3277 0.3277 1.2460 1.2460 1.2486 1.2486 1.3040 1.3040 1.7029 1.7029 1.8720 1.8720 1.8804 1.8804 1.8819 1.8819 1.9419 1.9419 1.9428 1.9428 5.5960 5.5960 5.5977 5.5977 5.6623 5.6623 8.1262 8.1262 8.3104 8.3104 8.3104 8.3104 k = 0.0114 0.0066 0.0186 ( 23017 PWs) bands (ev): -15.5832 -15.5832 -15.5504 -15.5504 -11.3486 -11.3486 -10.8562 -10.8562 -10.8559 -10.8559 -10.8280 -10.8280 -10.8077 -10.8077 -10.8074 -10.8074 -4.5111 -4.5111 -4.3720 -4.3720 -3.2272 -3.2272 -3.2268 -3.2268 -2.9861 -2.9861 -2.9858 -2.9858 -0.9972 -0.9972 -0.1523 -0.1523 -0.1514 -0.1514 0.0188 0.0188 0.1839 0.1839 0.1853 0.1853 0.2207 0.2207 0.3227 0.3227 0.3242 0.3242 1.2482 1.2482 1.2489 1.2489 1.3052 1.3052 1.7059 1.7059 1.8769 1.8769 1.8831 1.8831 1.8836 1.8836 1.9440 1.9440 1.9442 1.9442 5.5949 5.5949 5.5954 5.5954 5.6604 5.6604 8.1154 8.1154 8.3028 8.3028 8.3028 8.3028 k = 0.0000 0.0000 0.0000 ( 22995 PWs) bands (ev): -15.5832 -15.5832 -15.5504 -15.5504 -11.3487 -11.3487 -10.8558 -10.8558 -10.8558 -10.8558 -10.8281 -10.8281 -10.8076 -10.8076 -10.8076 -10.8076 -4.5115 -4.5115 -4.3721 -4.3721 -3.2276 -3.2276 -3.2276 -3.2276 -2.9861 -2.9861 -2.9861 -2.9861 -0.9982 -0.9982 -0.1509 -0.1509 -0.1509 -0.1509 0.0190 0.0190 0.1857 0.1857 0.1857 0.1857 0.2192 0.2192 0.3230 0.3230 0.3230 0.3230 1.2490 1.2490 1.2490 1.2490 1.3057 1.3057 1.7068 1.7068 1.8785 1.8785 1.8842 1.8842 1.8842 1.8842 1.9447 1.9447 1.9447 1.9447 5.5946 5.5946 5.5946 5.5946 5.6598 5.6598 8.1118 8.1118 8.3003 8.3003 8.3003 8.3003 k = 0.0000 0.0000 0.0000 ( 22995 PWs) bands (ev): -15.5832 -15.5832 -15.5504 -15.5504 -11.3487 -11.3487 -10.8558 -10.8558 -10.8558 -10.8558 -10.8281 -10.8281 -10.8076 -10.8076 -10.8076 -10.8076 -4.5115 -4.5115 -4.3721 -4.3721 -3.2276 -3.2276 -3.2276 -3.2276 -2.9861 -2.9861 -2.9861 -2.9861 -0.9982 -0.9982 -0.1509 -0.1509 -0.1509 -0.1509 0.0190 0.0190 0.1857 0.1857 0.1857 0.1857 0.2192 0.2192 0.3230 0.3230 0.3230 0.3230 1.2490 1.2490 1.2490 1.2490 1.3057 1.3057 1.7068 1.7068 1.8785 1.8785 1.8842 1.8842 1.8842 1.8842 1.9447 1.9447 1.9447 1.9447 5.5946 5.5946 5.5946 5.5946 5.6598 5.6598 8.1118 8.1118 8.3003 8.3003 8.3003 8.3003 k = 0.0185 0.0107 0.0076 ( 23016 PWs) bands (ev): -15.5832 -15.5832 -15.5504 -15.5504 -11.3486 -11.3486 -10.8561 -10.8561 -10.8560 -10.8560 -10.8280 -10.8280 -10.8077 -10.8077 -10.8074 -10.8074 -4.5111 -4.5111 -4.3720 -4.3720 -3.2272 -3.2272 -3.2268 -3.2268 -2.9861 -2.9861 -2.9858 -2.9858 -0.9972 -0.9972 -0.1519 -0.1519 -0.1518 -0.1518 0.0188 0.0188 0.1838 0.1838 0.1854 0.1854 0.2207 0.2207 0.3226 0.3226 0.3243 0.3243 1.2482 1.2482 1.2489 1.2489 1.3052 1.3052 1.7059 1.7059 1.8769 1.8769 1.8831 1.8831 1.8836 1.8836 1.9441 1.9441 1.9441 1.9441 5.5950 5.5950 5.5953 5.5953 5.6604 5.6604 8.1154 8.1154 8.3028 8.3028 8.3028 8.3028 k = 0.0370 0.0214 0.0151 ( 23028 PWs) bands (ev): -15.5830 -15.5830 -15.5505 -15.5505 -11.3482 -11.3482 -10.8569 -10.8569 -10.8567 -10.8567 -10.8278 -10.8278 -10.8081 -10.8081 -10.8067 -10.8067 -4.5100 -4.5100 -4.3717 -4.3717 -3.2260 -3.2260 -3.2243 -3.2243 -2.9859 -2.9859 -2.9846 -2.9846 -0.9943 -0.9943 -0.1549 -0.1549 -0.1546 -0.1546 0.0183 0.0183 0.1787 0.1787 0.1847 0.1847 0.2245 0.2245 0.3214 0.3214 0.3279 0.3279 1.2459 1.2459 1.2488 1.2488 1.3040 1.3040 1.7029 1.7029 1.8719 1.8719 1.8805 1.8805 1.8820 1.8820 1.9423 1.9423 1.9424 1.9424 5.5964 5.5964 5.5973 5.5973 5.6623 5.6623 8.1261 8.1261 8.3103 8.3103 8.3104 8.3104 k = 0.0556 0.0321 0.0227 ( 23016 PWs) bands (ev): -15.5829 -15.5829 -15.5505 -15.5505 -11.3477 -11.3477 -10.8582 -10.8582 -10.8578 -10.8578 -10.8276 -10.8276 -10.8085 -10.8085 -10.8057 -10.8057 -4.5082 -4.5082 -4.3711 -4.3711 -3.2239 -3.2239 -3.2203 -3.2203 -2.9857 -2.9857 -2.9828 -2.9828 -0.9895 -0.9895 -0.1597 -0.1597 -0.1591 -0.1591 0.0174 0.0174 0.1714 0.1714 0.1836 0.1836 0.2292 0.2292 0.3201 0.3201 0.3338 0.3338 1.2421 1.2421 1.2482 1.2482 1.3022 1.3022 1.6977 1.6977 1.8631 1.8631 1.8768 1.8768 1.8793 1.8793 1.9394 1.9394 1.9394 1.9394 5.5987 5.5987 5.6007 5.6007 5.6654 5.6654 8.1440 8.1440 8.3229 8.3229 8.3229 8.3229 k = 0.0741 0.0428 0.0302 ( 23025 PWs) bands (ev): -15.5826 -15.5826 -15.5507 -15.5507 -11.3469 -11.3469 -10.8598 -10.8598 -10.8593 -10.8593 -10.8277 -10.8277 -10.8088 -10.8088 -10.8043 -10.8043 -4.5057 -4.5057 -4.3704 -4.3704 -3.2210 -3.2210 -3.2146 -3.2146 -2.9854 -2.9854 -2.9803 -2.9803 -0.9829 -0.9829 -0.1662 -0.1662 -0.1652 -0.1652 0.0161 0.0161 0.1624 0.1624 0.1820 0.1820 0.2334 0.2334 0.3193 0.3193 0.3419 0.3419 1.2368 1.2368 1.2469 1.2469 1.3004 1.3004 1.6902 1.6902 1.8511 1.8511 1.8720 1.8720 1.8757 1.8757 1.9353 1.9353 1.9353 1.9353 5.6018 5.6018 5.6053 5.6053 5.6697 5.6697 8.1686 8.1686 8.3404 8.3404 8.3404 8.3404 k = 0.0926 0.0535 0.0378 ( 23004 PWs) bands (ev): -15.5823 -15.5823 -15.5508 -15.5508 -11.3458 -11.3458 -10.8617 -10.8617 -10.8610 -10.8610 -10.8284 -10.8284 -10.8089 -10.8089 -10.8027 -10.8027 -4.5025 -4.5025 -4.3694 -4.3694 -3.2174 -3.2174 -3.2074 -3.2074 -2.9850 -2.9850 -2.9771 -2.9771 -0.9744 -0.9744 -0.1740 -0.1740 -0.1726 -0.1726 0.0142 0.0142 0.1519 0.1519 0.1800 0.1800 0.2356 0.2356 0.3203 0.3203 0.3518 0.3518 1.2302 1.2302 1.2443 1.2443 1.2990 1.2990 1.6797 1.6797 1.8368 1.8368 1.8660 1.8660 1.8710 1.8710 1.9302 1.9302 1.9303 1.9303 5.6056 5.6056 5.6110 5.6110 5.6751 5.6751 8.1999 8.1999 8.3627 8.3627 8.3627 8.3627 k = 0.1111 0.0642 0.0454 ( 22986 PWs) bands (ev): -15.5819 -15.5819 -15.5510 -15.5510 -11.3446 -11.3446 -10.8638 -10.8638 -10.8629 -10.8629 -10.8299 -10.8299 -10.8085 -10.8085 -10.8009 -10.8009 -4.4987 -4.4987 -4.3683 -4.3683 -3.2130 -3.2130 -3.1987 -3.1987 -2.9846 -2.9846 -2.9733 -2.9733 -0.9642 -0.9642 -0.1830 -0.1830 -0.1812 -0.1812 0.0118 0.0118 0.1403 0.1403 0.1776 0.1776 0.2345 0.2345 0.3244 0.3244 0.3633 0.3633 1.2224 1.2224 1.2400 1.2400 1.2987 1.2987 1.6658 1.6658 1.8211 1.8211 1.8588 1.8588 1.8653 1.8653 1.9240 1.9240 1.9243 1.9243 5.6101 5.6101 5.6178 5.6178 5.6815 5.6815 8.2375 8.2375 8.3897 8.3897 8.3897 8.3897 k = 0.1296 0.0748 0.0529 ( 22953 PWs) bands (ev): -15.5814 -15.5814 -15.5513 -15.5513 -11.3432 -11.3432 -10.8660 -10.8660 -10.8650 -10.8650 -10.8322 -10.8322 -10.8077 -10.8077 -10.7989 -10.7989 -4.4942 -4.4942 -4.3671 -4.3671 -3.2078 -3.2078 -3.1887 -3.1887 -2.9842 -2.9842 -2.9689 -2.9689 -0.9524 -0.9524 -0.1928 -0.1928 -0.1906 -0.1906 0.0084 0.0084 0.1279 0.1279 0.1748 0.1748 0.2294 0.2294 0.3319 0.3319 0.3761 0.3761 1.2135 1.2135 1.2336 1.2336 1.2999 1.2999 1.6478 1.6478 1.8051 1.8051 1.8506 1.8506 1.8587 1.8587 1.9168 1.9168 1.9175 1.9175 5.6152 5.6152 5.6256 5.6256 5.6889 5.6889 8.2809 8.2809 8.4213 8.4213 8.4214 8.4214 k = 0.1481 0.0855 0.0605 ( 22947 PWs) bands (ev): -15.5808 -15.5808 -15.5516 -15.5516 -11.3415 -11.3415 -10.8683 -10.8683 -10.8672 -10.8672 -10.8353 -10.8353 -10.8065 -10.8065 -10.7968 -10.7968 -4.4893 -4.4893 -4.3657 -4.3657 -3.2020 -3.2020 -3.1773 -3.1773 -2.9838 -2.9838 -2.9639 -2.9639 -0.9390 -0.9390 -0.2031 -0.2031 -0.2007 -0.2007 0.0040 0.0040 0.1151 0.1151 0.1717 0.1717 0.2208 0.2208 0.3425 0.3425 0.3900 0.3900 1.2036 1.2036 1.2252 1.2252 1.3026 1.3026 1.6252 1.6252 1.7895 1.7895 1.8412 1.8412 1.8513 1.8513 1.9088 1.9088 1.9100 1.9100 5.6206 5.6206 5.6341 5.6341 5.6970 5.6970 8.3296 8.3296 8.4573 8.4573 8.4574 8.4574 k = 0.1667 0.0962 0.0680 ( 22940 PWs) bands (ev): -15.5802 -15.5802 -15.5519 -15.5519 -11.3397 -11.3397 -10.8706 -10.8706 -10.8695 -10.8695 -10.8390 -10.8390 -10.8050 -10.8050 -10.7947 -10.7947 -4.4838 -4.4838 -4.3643 -4.3643 -3.1956 -3.1956 -3.1647 -3.1647 -2.9834 -2.9834 -2.9586 -2.9586 -0.9243 -0.9243 -0.2139 -0.2139 -0.2113 -0.2113 -0.0020 -0.0020 0.1026 0.1026 0.1682 0.1682 0.2094 0.2094 0.3555 0.3555 0.4047 0.4047 1.1930 1.1930 1.2151 1.2151 1.3067 1.3067 1.5980 1.5980 1.7751 1.7751 1.8309 1.8309 1.8430 1.8430 1.9000 1.9000 1.9020 1.9020 5.6265 5.6265 5.6432 5.6432 5.7058 5.7058 8.3833 8.3833 8.4973 8.4973 8.4974 8.4974 k = 0.1852 0.1069 0.0756 ( 22946 PWs) bands (ev): -15.5796 -15.5796 -15.5522 -15.5522 -11.3377 -11.3377 -10.8729 -10.8729 -10.8718 -10.8718 -10.8432 -10.8432 -10.8034 -10.8034 -10.7926 -10.7926 -4.4779 -4.4779 -4.3628 -4.3628 -3.1885 -3.1885 -3.1511 -3.1511 -2.9831 -2.9831 -2.9529 -2.9529 -0.9083 -0.9083 -0.2248 -0.2248 -0.2221 -0.2221 -0.0098 -0.0098 0.0910 0.0910 0.1644 0.1644 0.1959 0.1959 0.3699 0.3699 0.4200 0.4200 1.1818 1.1818 1.2037 1.2037 1.3119 1.3119 1.5663 1.5663 1.7621 1.7621 1.8198 1.8198 1.8340 1.8340 1.8905 1.8905 1.8937 1.8937 5.6325 5.6325 5.6528 5.6528 5.7151 5.7151 8.4412 8.4412 8.5408 8.5408 8.5411 8.5411 k = 0.2037 0.1176 0.0832 ( 22940 PWs) bands (ev): -15.5789 -15.5789 -15.5526 -15.5526 -11.3356 -11.3356 -10.8752 -10.8752 -10.8741 -10.8741 -10.8478 -10.8478 -10.8017 -10.8017 -10.7905 -10.7905 -4.4716 -4.4716 -4.3613 -4.3613 -3.1810 -3.1810 -3.1364 -3.1364 -2.9830 -2.9830 -2.9469 -2.9469 -0.8914 -0.8914 -0.2358 -0.2358 -0.2331 -0.2331 -0.0198 -0.0198 0.0808 0.0808 0.1604 0.1604 0.1810 0.1810 0.3854 0.3854 0.4357 0.4357 1.1702 1.1702 1.1913 1.1913 1.3181 1.3181 1.5308 1.5308 1.7503 1.7503 1.8081 1.8081 1.8244 1.8244 1.8805 1.8805 1.8851 1.8851 5.6388 5.6388 5.6627 5.6627 5.7248 5.7248 8.5028 8.5028 8.5870 8.5870 8.5872 8.5872 k = 0.2222 0.1283 0.0907 ( 22970 PWs) bands (ev): -15.5781 -15.5781 -15.5531 -15.5531 -11.3334 -11.3334 -10.8774 -10.8774 -10.8763 -10.8763 -10.8527 -10.8527 -10.8000 -10.8000 -10.7884 -10.7884 -4.4650 -4.4650 -4.3599 -4.3599 -3.1729 -3.1729 -3.1210 -3.1210 -2.9830 -2.9830 -2.9408 -2.9408 -0.8736 -0.8736 -0.2466 -0.2466 -0.2439 -0.2439 -0.0318 -0.0318 0.0722 0.0722 0.1562 0.1562 0.1650 0.1650 0.4014 0.4014 0.4514 0.4514 1.1583 1.1583 1.1782 1.1782 1.3250 1.3250 1.4923 1.4923 1.7396 1.7396 1.7959 1.7959 1.8142 1.8142 1.8699 1.8699 1.8764 1.8764 5.6451 5.6451 5.6728 5.6728 5.7346 5.7346 8.5673 8.5673 8.6321 8.6321 8.6324 8.6324 k = 0.2407 0.1390 0.0983 ( 22970 PWs) bands (ev): -15.5773 -15.5773 -15.5535 -15.5535 -11.3310 -11.3310 -10.8795 -10.8795 -10.8785 -10.8785 -10.8579 -10.8579 -10.7982 -10.7982 -10.7864 -10.7864 -4.4582 -4.4582 -4.3585 -4.3585 -3.1645 -3.1645 -3.1049 -3.1049 -2.9832 -2.9832 -2.9345 -2.9345 -0.8553 -0.8553 -0.2571 -0.2571 -0.2546 -0.2546 -0.0454 -0.0454 0.0651 0.0651 0.1485 0.1485 0.1518 0.1518 0.4176 0.4176 0.4672 0.4672 1.1464 1.1464 1.1646 1.1646 1.3326 1.3326 1.4514 1.4514 1.7296 1.7296 1.7835 1.7835 1.8035 1.8035 1.8589 1.8589 1.8678 1.8678 5.6513 5.6513 5.6829 5.6829 5.7446 5.7446 8.6340 8.6340 8.6611 8.6611 8.6620 8.6620 k = 0.2593 0.1497 0.1058 ( 22985 PWs) bands (ev): -15.5765 -15.5765 -15.5540 -15.5540 -11.3286 -11.3286 -10.8816 -10.8816 -10.8806 -10.8806 -10.8631 -10.8631 -10.7966 -10.7966 -10.7845 -10.7845 -4.4512 -4.4512 -4.3573 -4.3573 -3.1557 -3.1557 -3.0883 -3.0883 -2.9837 -2.9837 -2.9284 -2.9284 -0.8367 -0.8367 -0.2673 -0.2673 -0.2650 -0.2650 -0.0600 -0.0600 0.0590 0.0590 0.1320 0.1320 0.1473 0.1473 0.4337 0.4337 0.4827 0.4827 1.1346 1.1346 1.1510 1.1510 1.3407 1.3407 1.4090 1.4090 1.7200 1.7200 1.7711 1.7711 1.7925 1.7925 1.8475 1.8475 1.8593 1.8593 5.6575 5.6575 5.6928 5.6928 5.7544 5.7544 8.6627 8.6627 8.6628 8.6628 8.7022 8.7022 k = 0.2778 0.1604 0.1134 ( 22976 PWs) bands (ev): -15.5756 -15.5756 -15.5546 -15.5546 -11.3262 -11.3262 -10.8836 -10.8836 -10.8826 -10.8826 -10.8684 -10.8684 -10.7950 -10.7950 -10.7826 -10.7826 -4.4441 -4.4441 -4.3563 -4.3563 -3.1467 -3.1467 -3.0714 -3.0714 -2.9845 -2.9845 -2.9224 -2.9224 -0.8182 -0.8182 -0.2771 -0.2771 -0.2750 -0.2750 -0.0749 -0.0749 0.0534 0.0534 0.1160 0.1160 0.1427 0.1427 0.4496 0.4496 0.4978 0.4978 1.1231 1.1231 1.1374 1.1374 1.3482 1.3482 1.3668 1.3668 1.7108 1.7108 1.7591 1.7591 1.7814 1.7814 1.8360 1.8360 1.8511 1.8511 5.6635 5.6635 5.7026 5.7026 5.7640 5.7640 8.6535 8.6535 8.6545 8.6545 8.7711 8.7711 k = 0.2963 0.1711 0.1210 ( 22985 PWs) bands (ev): -15.5747 -15.5747 -15.5552 -15.5552 -11.3237 -11.3237 -10.8855 -10.8855 -10.8845 -10.8845 -10.8737 -10.8737 -10.7934 -10.7934 -10.7809 -10.7809 -4.4369 -4.4369 -4.3554 -4.3554 -3.1375 -3.1375 -3.0544 -3.0544 -2.9856 -2.9856 -2.9167 -2.9167 -0.8001 -0.8001 -0.2863 -0.2863 -0.2845 -0.2845 -0.0893 -0.0893 0.0474 0.0474 0.1014 0.1014 0.1381 0.1381 0.4650 0.4650 0.5123 0.5123 1.1120 1.1120 1.1242 1.1242 1.3211 1.3211 1.3594 1.3594 1.7015 1.7015 1.7478 1.7478 1.7704 1.7704 1.8244 1.8244 1.8433 1.8433 5.6692 5.6692 5.7119 5.7119 5.7733 5.7733 8.6427 8.6427 8.6443 8.6443 8.8398 8.8398 k = 0.3148 0.1818 0.1285 ( 22961 PWs) bands (ev): -15.5737 -15.5737 -15.5558 -15.5558 -11.3213 -11.3213 -10.8873 -10.8873 -10.8863 -10.8863 -10.8788 -10.8788 -10.7920 -10.7920 -10.7793 -10.7793 -4.4297 -4.4297 -4.3548 -4.3548 -3.1281 -3.1281 -3.0374 -3.0374 -2.9870 -2.9870 -2.9114 -2.9114 -0.7827 -0.7827 -0.2948 -0.2948 -0.2934 -0.2934 -0.1026 -0.1026 0.0399 0.0399 0.0892 0.0892 0.1335 0.1335 0.4797 0.4797 0.5261 0.5261 1.1015 1.1015 1.1115 1.1115 1.2784 1.2784 1.3681 1.3681 1.6922 1.6922 1.7374 1.7374 1.7595 1.7595 1.8127 1.8127 1.8358 1.8358 5.6747 5.6747 5.7208 5.7208 5.7821 5.7821 8.6318 8.6318 8.6340 8.6340 8.9076 8.9076 k = 0.3333 0.1925 0.1361 ( 22949 PWs) bands (ev): -15.5728 -15.5728 -15.5565 -15.5565 -11.3189 -11.3189 -10.8890 -10.8890 -10.8880 -10.8880 -10.8837 -10.8837 -10.7907 -10.7907 -10.7778 -10.7778 -4.4227 -4.4227 -4.3545 -4.3545 -3.1188 -3.1188 -3.0207 -3.0207 -2.9888 -2.9888 -2.9067 -2.9067 -0.7664 -0.7664 -0.3028 -0.3028 -0.3016 -0.3016 -0.1144 -0.1144 0.0301 0.0301 0.0802 0.0802 0.1292 0.1292 0.4936 0.4936 0.5391 0.5391 1.0918 1.0918 1.0995 1.0995 1.2367 1.2367 1.3771 1.3771 1.6828 1.6828 1.7282 1.7282 1.7490 1.7490 1.8013 1.8013 1.8288 1.8288 5.6798 5.6798 5.7290 5.7290 5.7904 5.7904 8.6216 8.6216 8.6242 8.6242 8.9737 8.9737 k = 0.3519 0.2031 0.1436 ( 22982 PWs) bands (ev): -15.5718 -15.5718 -15.5572 -15.5572 -11.3166 -11.3166 -10.8909 -10.8909 -10.8895 -10.8895 -10.8880 -10.8880 -10.7895 -10.7895 -10.7765 -10.7765 -4.4158 -4.4158 -4.3545 -4.3545 -3.1095 -3.1095 -3.0044 -3.0044 -2.9910 -2.9910 -2.9026 -2.9026 -0.7515 -0.7515 -0.3100 -0.3100 -0.3092 -0.3092 -0.1240 -0.1240 0.0182 0.0182 0.0743 0.0743 0.1250 0.1250 0.5064 0.5064 0.5511 0.5511 1.0828 1.0828 1.0883 1.0883 1.1968 1.1968 1.3862 1.3862 1.6733 1.6733 1.7202 1.7202 1.7391 1.7391 1.7901 1.7901 1.8224 1.8224 5.6845 5.6845 5.7367 5.7367 5.7980 5.7980 8.6122 8.6122 8.6152 8.6152 9.0372 9.0372 k = 0.3704 0.2138 0.1512 ( 22982 PWs) bands (ev): -15.5708 -15.5708 -15.5579 -15.5579 -11.3145 -11.3145 -10.8938 -10.8938 -10.8908 -10.8908 -10.8907 -10.8907 -10.7884 -10.7884 -10.7753 -10.7753 -4.4091 -4.4091 -4.3548 -4.3548 -3.1005 -3.1005 -2.9936 -2.9936 -2.9888 -2.9888 -2.8994 -2.8994 -0.7383 -0.7383 -0.3164 -0.3164 -0.3159 -0.3159 -0.1314 -0.1314 0.0051 0.0051 0.0708 0.0708 0.1211 0.1211 0.5181 0.5181 0.5619 0.5619 1.0747 1.0747 1.0782 1.0782 1.1595 1.1595 1.3949 1.3949 1.6641 1.6641 1.7134 1.7134 1.7298 1.7298 1.7795 1.7795 1.8166 1.8166 5.6888 5.6888 5.7435 5.7435 5.8048 5.8048 8.6038 8.6038 8.6071 8.6071 9.0976 9.0976 k = 0.3889 0.2245 0.1588 ( 23003 PWs) bands (ev): -15.5698 -15.5698 -15.5587 -15.5587 -11.3125 -11.3125 -10.8975 -10.8975 -10.8922 -10.8922 -10.8920 -10.8920 -10.7875 -10.7875 -10.7742 -10.7742 -4.4027 -4.4027 -4.3556 -4.3556 -3.0917 -3.0917 -2.9966 -2.9966 -2.9740 -2.9740 -2.8972 -2.8972 -0.7269 -0.7269 -0.3220 -0.3220 -0.3219 -0.3219 -0.1364 -0.1364 -0.0082 -0.0082 0.0687 0.0687 0.1176 0.1176 0.5284 0.5284 0.5715 0.5715 1.0676 1.0676 1.0691 1.0691 1.1253 1.1253 1.4032 1.4032 1.6554 1.6554 1.7078 1.7078 1.7215 1.7215 1.7695 1.7695 1.8114 1.8114 5.6925 5.6925 5.7496 5.7496 5.8109 5.8109 8.5964 8.5964 8.6000 8.6000 9.1541 9.1541 k = 0.4074 0.2352 0.1663 ( 23027 PWs) bands (ev): -15.5688 -15.5688 -15.5595 -15.5595 -11.3108 -11.3108 -10.9008 -10.9008 -10.8933 -10.8933 -10.8930 -10.8930 -10.7867 -10.7867 -10.7733 -10.7733 -4.3967 -4.3967 -4.3567 -4.3567 -3.0833 -3.0833 -2.9999 -2.9999 -2.9602 -2.9602 -2.8960 -2.8960 -0.7175 -0.7175 -0.3270 -0.3270 -0.3268 -0.3268 -0.1390 -0.1390 -0.0212 -0.0212 0.0676 0.0676 0.1145 0.1145 0.5374 0.5374 0.5799 0.5799 1.0611 1.0611 1.0616 1.0616 1.0952 1.0952 1.4108 1.4108 1.6474 1.6474 1.7032 1.7032 1.7142 1.7142 1.7605 1.7605 1.8069 1.8069 5.6958 5.6958 5.7548 5.7548 5.8161 5.8161 8.5900 8.5900 8.5940 8.5940 9.2062 9.2062 k = 0.4259 0.2459 0.1739 ( 23033 PWs) bands (ev): -15.5678 -15.5678 -15.5603 -15.5603 -11.3093 -11.3093 -10.9037 -10.9037 -10.8941 -10.8941 -10.8938 -10.8938 -10.7860 -10.7860 -10.7726 -10.7726 -4.3910 -4.3910 -4.3582 -4.3582 -3.0755 -3.0755 -3.0034 -3.0034 -2.9475 -2.9475 -2.8961 -2.8961 -0.7100 -0.7100 -0.3312 -0.3312 -0.3307 -0.3307 -0.1396 -0.1396 -0.0332 -0.0332 0.0670 0.0670 0.1118 0.1118 0.5448 0.5448 0.5868 0.5868 1.0539 1.0539 1.0566 1.0566 1.0701 1.0701 1.4175 1.4175 1.6406 1.6406 1.6996 1.6996 1.7080 1.7080 1.7526 1.7526 1.8032 1.8032 5.6985 5.6985 5.7592 5.7592 5.8205 5.8205 8.5848 8.5848 8.5890 8.5890 9.2536 9.2536 k = 0.4444 0.2566 0.1814 ( 23021 PWs) bands (ev): -15.5668 -15.5668 -15.5612 -15.5612 -11.3081 -11.3081 -10.9061 -10.9061 -10.8948 -10.8948 -10.8945 -10.8945 -10.7855 -10.7855 -10.7720 -10.7720 -4.3859 -4.3859 -4.3601 -4.3601 -3.0686 -3.0686 -3.0069 -3.0069 -2.9361 -2.9361 -2.8974 -2.8974 -0.7044 -0.7044 -0.3346 -0.3346 -0.3338 -0.3338 -0.1386 -0.1386 -0.0437 -0.0437 0.0667 0.0667 0.1097 0.1097 0.5507 0.5507 0.5922 0.5922 1.0441 1.0441 1.0527 1.0527 1.0539 1.0539 1.4231 1.4231 1.6350 1.6350 1.6968 1.6968 1.7031 1.7031 1.7462 1.7462 1.8003 1.8003 5.7006 5.7006 5.7626 5.7626 5.8239 5.8239 8.5807 8.5807 8.5851 8.5851 9.2959 9.2959 k = 0.4630 0.2673 0.1890 ( 23012 PWs) bands (ev): -15.5658 -15.5658 -15.5620 -15.5620 -11.3073 -11.3073 -10.9077 -10.9077 -10.8952 -10.8952 -10.8950 -10.8950 -10.7851 -10.7851 -10.7716 -10.7716 -4.3814 -4.3814 -4.3622 -4.3622 -3.0630 -3.0630 -3.0100 -3.0100 -2.9260 -2.9260 -2.9001 -2.9001 -0.7006 -0.7006 -0.3369 -0.3369 -0.3359 -0.3359 -0.1369 -0.1369 -0.0521 -0.0521 0.0666 0.0666 0.1082 0.1082 0.5549 0.5549 0.5962 0.5962 1.0310 1.0310 1.0482 1.0482 1.0499 1.0499 1.4272 1.4272 1.6308 1.6308 1.6949 1.6949 1.6995 1.6995 1.7413 1.7413 1.7982 1.7982 5.7021 5.7021 5.7650 5.7650 5.8263 5.8263 8.5778 8.5778 8.5823 8.5823 9.3328 9.3328 k = 0.4815 0.2780 0.1966 ( 23006 PWs) bands (ev): -15.5649 -15.5649 -15.5629 -15.5629 -11.3067 -11.3067 -10.9088 -10.9088 -10.8955 -10.8955 -10.8952 -10.8952 -10.7849 -10.7849 -10.7714 -10.7714 -4.3779 -4.3779 -4.3642 -4.3642 -3.0592 -3.0592 -3.0123 -3.0123 -2.9175 -2.9175 -2.9042 -2.9042 -0.6983 -0.6983 -0.3384 -0.3384 -0.3373 -0.3373 -0.1352 -0.1352 -0.0577 -0.0577 0.0666 0.0666 0.1072 0.1072 0.5574 0.5574 0.5985 0.5985 1.0221 1.0221 1.0456 1.0456 1.0482 1.0482 1.4298 1.4298 1.6283 1.6283 1.6937 1.6937 1.6973 1.6973 1.7384 1.7384 1.7969 1.7969 5.7031 5.7031 5.7665 5.7665 5.8278 5.8278 8.5760 8.5760 8.5806 8.5806 9.3640 9.3640 k = 0.5000 0.2887 0.2041 ( 23024 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3066 -11.3066 -10.9091 -10.9091 -10.8956 -10.8956 -10.8953 -10.8953 -10.7848 -10.7848 -10.7713 -10.7713 -4.3765 -4.3765 -4.3652 -4.3652 -3.0578 -3.0578 -3.0132 -3.0132 -2.9119 -2.9119 -2.9083 -2.9083 -0.6976 -0.6976 -0.3389 -0.3389 -0.3377 -0.3377 -0.1345 -0.1345 -0.0597 -0.0597 0.0666 0.0666 0.1069 0.1069 0.5583 0.5583 0.5993 0.5993 1.0190 1.0190 1.0447 1.0447 1.0476 1.0476 1.4307 1.4307 1.6275 1.6275 1.6934 1.6934 1.6966 1.6966 1.7374 1.7374 1.7965 1.7965 5.7034 5.7034 5.7670 5.7670 5.8283 5.8283 8.5754 8.5754 8.5800 8.5800 9.3831 9.3831 k = 0.5000 0.2887 0.2041 ( 23024 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3066 -11.3066 -10.9091 -10.9091 -10.8956 -10.8956 -10.8953 -10.8953 -10.7848 -10.7848 -10.7713 -10.7713 -4.3765 -4.3765 -4.3652 -4.3652 -3.0578 -3.0578 -3.0132 -3.0132 -2.9119 -2.9119 -2.9083 -2.9083 -0.6976 -0.6976 -0.3389 -0.3389 -0.3377 -0.3377 -0.1345 -0.1345 -0.0597 -0.0597 0.0666 0.0666 0.1069 0.1069 0.5583 0.5583 0.5993 0.5993 1.0190 1.0190 1.0447 1.0447 1.0476 1.0476 1.4307 1.4307 1.6275 1.6275 1.6934 1.6934 1.6966 1.6966 1.7374 1.7374 1.7965 1.7965 5.7034 5.7034 5.7670 5.7670 5.8283 5.8283 8.5754 8.5754 8.5800 8.5800 9.3831 9.3831 k = 0.5066 0.2697 0.2149 ( 23010 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3065 -11.3065 -10.9107 -10.9107 -10.8954 -10.8954 -10.8938 -10.8938 -10.7849 -10.7849 -10.7714 -10.7714 -4.3763 -4.3763 -4.3651 -4.3651 -3.0573 -3.0573 -3.0129 -3.0129 -2.9120 -2.9120 -2.9081 -2.9081 -0.6967 -0.6967 -0.3410 -0.3410 -0.3380 -0.3380 -0.1348 -0.1348 -0.0566 -0.0566 0.0660 0.0660 0.1060 0.1060 0.5577 0.5577 0.5986 0.5986 1.0204 1.0204 1.0451 1.0451 1.0479 1.0479 1.4295 1.4295 1.6274 1.6274 1.6919 1.6919 1.6966 1.6966 1.7369 1.7369 1.7953 1.7953 5.7039 5.7039 5.7673 5.7673 5.8287 5.8287 8.5729 8.5729 8.5792 8.5792 9.3869 9.3869 k = 0.5132 0.2507 0.2256 ( 22999 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3063 -11.3063 -10.9143 -10.9143 -10.8953 -10.8953 -10.8902 -10.8902 -10.7853 -10.7853 -10.7717 -10.7717 -4.3759 -4.3759 -4.3647 -4.3647 -3.0559 -3.0559 -3.0119 -3.0119 -2.9123 -2.9123 -2.9076 -2.9076 -0.6942 -0.6942 -0.3484 -0.3484 -0.3374 -0.3374 -0.1356 -0.1356 -0.0476 -0.0476 0.0641 0.0641 0.1036 0.1036 0.5559 0.5559 0.5965 0.5965 1.0243 1.0243 1.0461 1.0461 1.0486 1.0486 1.4260 1.4260 1.6273 1.6273 1.6879 1.6879 1.6963 1.6963 1.7356 1.7356 1.7920 1.7920 5.7054 5.7054 5.7681 5.7681 5.8299 5.8299 8.5626 8.5626 8.5798 8.5798 9.3979 9.3979 k = 0.5197 0.2317 0.2364 ( 22994 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3060 -11.3060 -10.9186 -10.9186 -10.8951 -10.8951 -10.8858 -10.8858 -10.7858 -10.7858 -10.7723 -10.7723 -4.3751 -4.3751 -4.3641 -4.3641 -3.0536 -3.0536 -3.0104 -3.0104 -2.9126 -2.9126 -2.9068 -2.9068 -0.6900 -0.6900 -0.3597 -0.3597 -0.3364 -0.3364 -0.1369 -0.1369 -0.0339 -0.0339 0.0606 0.0606 0.1000 0.1000 0.5529 0.5529 0.5930 0.5930 1.0305 1.0305 1.0477 1.0477 1.0503 1.0503 1.4203 1.4203 1.6269 1.6269 1.6814 1.6814 1.6957 1.6957 1.7333 1.7333 1.7870 1.7870 5.7078 5.7078 5.7695 5.7695 5.8320 5.8320 8.5451 8.5451 8.5818 8.5818 9.4155 9.4293 k = 0.5263 0.2127 0.2471 ( 22986 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3056 -11.3056 -10.9230 -10.9230 -10.8948 -10.8948 -10.8812 -10.8812 -10.7866 -10.7866 -10.7731 -10.7731 -4.3741 -4.3741 -4.3633 -4.3633 -3.0504 -3.0504 -3.0082 -3.0082 -2.9130 -2.9130 -2.9059 -2.9059 -0.6842 -0.6842 -0.3739 -0.3739 -0.3350 -0.3350 -0.1388 -0.1388 -0.0167 -0.0167 0.0551 0.0551 0.0963 0.0963 0.5487 0.5487 0.5882 0.5882 1.0382 1.0382 1.0496 1.0496 1.0539 1.0539 1.4125 1.4125 1.6258 1.6258 1.6723 1.6723 1.6945 1.6945 1.7302 1.7302 1.7806 1.7806 5.7107 5.7107 5.7715 5.7715 5.8351 5.8351 8.5218 8.5218 8.5847 8.5847 9.4381 9.4392 k = 0.5329 0.1937 0.2578 ( 22974 PWs) bands (ev): -15.5639 -15.5639 -15.5636 -15.5636 -11.3051 -11.3051 -10.9275 -10.9275 -10.8944 -10.8944 -10.8765 -10.8765 -10.7876 -10.7876 -10.7740 -10.7740 -4.3728 -4.3728 -4.3623 -4.3623 -3.0464 -3.0464 -3.0055 -3.0055 -2.9133 -2.9133 -2.9049 -2.9049 -0.6770 -0.6770 -0.3899 -0.3899 -0.3331 -0.3331 -0.1411 -0.1411 0.0021 0.0021 0.0479 0.0479 0.0930 0.0930 0.5430 0.5430 0.5824 0.5824 1.0452 1.0452 1.0519 1.0519 1.0611 1.0611 1.4030 1.4030 1.6238 1.6238 1.6606 1.6606 1.6925 1.6925 1.7264 1.7264 1.7738 1.7738 5.7136 5.7136 5.7740 5.7740 5.8395 5.8395 8.4936 8.4936 8.5886 8.5886 9.4633 9.4654 k = 0.5395 0.1747 0.2686 ( 22981 PWs) bands (ev): -15.5639 -15.5639 -15.5636 -15.5636 -11.3045 -11.3045 -10.9318 -10.9318 -10.8940 -10.8940 -10.8719 -10.8719 -10.7888 -10.7888 -10.7751 -10.7751 -4.3713 -4.3713 -4.3611 -4.3611 -3.0416 -3.0416 -3.0023 -3.0023 -2.9135 -2.9135 -2.9038 -2.9038 -0.6686 -0.6686 -0.4067 -0.4067 -0.3309 -0.3309 -0.1438 -0.1438 0.0168 0.0168 0.0441 0.0441 0.0905 0.0905 0.5360 0.5360 0.5756 0.5756 1.0500 1.0500 1.0552 1.0552 1.0727 1.0727 1.3920 1.3920 1.6207 1.6207 1.6460 1.6460 1.6890 1.6890 1.7226 1.7226 1.7673 1.7673 5.7161 5.7161 5.7775 5.7775 5.8452 5.8452 8.4618 8.4618 8.5934 8.5934 9.4882 9.4883 k = 0.5461 0.1557 0.2793 ( 22980 PWs) bands (ev): -15.5638 -15.5638 -15.5635 -15.5635 -11.3038 -11.3038 -10.9361 -10.9361 -10.8935 -10.8935 -10.8673 -10.8673 -10.7903 -10.7903 -10.7764 -10.7764 -4.3696 -4.3696 -4.3597 -4.3597 -3.0362 -3.0362 -2.9987 -2.9987 -2.9137 -2.9137 -2.9026 -2.9026 -0.6591 -0.6591 -0.4237 -0.4237 -0.3282 -0.3282 -0.1471 -0.1471 0.0133 0.0133 0.0572 0.0572 0.0892 0.0892 0.5275 0.5275 0.5681 0.5681 1.0533 1.0533 1.0595 1.0595 1.0876 1.0876 1.3797 1.3797 1.6162 1.6162 1.6284 1.6284 1.6835 1.6835 1.7192 1.7192 1.7619 1.7619 5.7176 5.7176 5.7821 5.7821 5.8521 5.8521 8.4272 8.4272 8.5990 8.5990 9.5135 9.5135 k = 0.5526 0.1367 0.2901 ( 22968 PWs) bands (ev): -15.5638 -15.5638 -15.5634 -15.5634 -11.3030 -11.3030 -10.9401 -10.9401 -10.8929 -10.8929 -10.8627 -10.8627 -10.7920 -10.7920 -10.7777 -10.7777 -4.3677 -4.3677 -4.3582 -4.3582 -3.0303 -3.0303 -2.9948 -2.9948 -2.9138 -2.9138 -2.9013 -2.9013 -0.6490 -0.6490 -0.4401 -0.4401 -0.3252 -0.3252 -0.1510 -0.1510 0.0003 0.0003 0.0765 0.0765 0.0910 0.0910 0.5177 0.5177 0.5600 0.5600 1.0564 1.0564 1.0647 1.0647 1.1046 1.1046 1.3664 1.3664 1.6068 1.6068 1.6114 1.6114 1.6760 1.6760 1.7160 1.7160 1.7583 1.7583 5.7176 5.7176 5.7882 5.7882 5.8601 5.8601 8.3908 8.3908 8.6055 8.6055 9.5381 9.5381 k = 0.5592 0.1177 0.3008 ( 22982 PWs) bands (ev): -15.5638 -15.5638 -15.5633 -15.5633 -11.3023 -11.3023 -10.9440 -10.9440 -10.8922 -10.8922 -10.8583 -10.8583 -10.7940 -10.7940 -10.7791 -10.7791 -4.3658 -4.3658 -4.3566 -4.3566 -3.0240 -3.0240 -2.9906 -2.9906 -2.9138 -2.9138 -2.8999 -2.8999 -0.6387 -0.6387 -0.4554 -0.4554 -0.3218 -0.3218 -0.1555 -0.1555 -0.0149 -0.0149 0.0832 0.0832 0.1077 0.1077 0.5066 0.5066 0.5514 0.5514 1.0594 1.0594 1.0705 1.0705 1.1230 1.1230 1.3524 1.3524 1.5840 1.5840 1.6039 1.6039 1.6670 1.6670 1.7122 1.7122 1.7571 1.7571 5.7161 5.7161 5.7956 5.7956 5.8691 5.8691 8.3534 8.3534 8.6127 8.6127 9.5616 9.5616 k = 0.5658 0.0988 0.3116 ( 22982 PWs) bands (ev): -15.5638 -15.5638 -15.5631 -15.5631 -11.3014 -11.3014 -10.9476 -10.9476 -10.8914 -10.8914 -10.8541 -10.8541 -10.7962 -10.7962 -10.7805 -10.7805 -4.3638 -4.3638 -4.3548 -4.3548 -3.0175 -3.0175 -2.9863 -2.9863 -2.9136 -2.9136 -2.8984 -2.8984 -0.6289 -0.6289 -0.4689 -0.4689 -0.3181 -0.3181 -0.1611 -0.1611 -0.0302 -0.0302 0.0835 0.0835 0.1315 0.1315 0.4945 0.4945 0.5423 0.5423 1.0627 1.0627 1.0769 1.0769 1.1425 1.1425 1.3381 1.3381 1.5584 1.5584 1.5958 1.5958 1.6572 1.6572 1.7071 1.7071 1.7585 1.7585 5.7130 5.7130 5.8044 5.8044 5.8787 5.8787 8.3158 8.3158 8.6208 8.6208 9.5840 9.5840 k = 0.5724 0.0798 0.3223 ( 22984 PWs) bands (ev): -15.5639 -15.5639 -15.5629 -15.5629 -11.3006 -11.3006 -10.9510 -10.9510 -10.8905 -10.8905 -10.8500 -10.8500 -10.7985 -10.7985 -10.7820 -10.7820 -4.3618 -4.3618 -4.3530 -4.3530 -3.0110 -3.0110 -2.9819 -2.9819 -2.9133 -2.9133 -2.8969 -2.8969 -0.6206 -0.6206 -0.4795 -0.4795 -0.3140 -0.3140 -0.1679 -0.1679 -0.0446 -0.0446 0.0833 0.0833 0.1558 0.1558 0.4817 0.4817 0.5327 0.5327 1.0660 1.0660 1.0838 1.0838 1.1625 1.1625 1.3238 1.3238 1.5312 1.5312 1.5869 1.5869 1.6469 1.6469 1.7008 1.7008 1.7620 1.7620 5.7087 5.7087 5.8140 5.8140 5.8887 5.8887 8.2785 8.2785 8.6296 8.6296 9.6050 9.6050 k = 0.5789 0.0608 0.3330 ( 22990 PWs) bands (ev): -15.5639 -15.5639 -15.5627 -15.5627 -11.2998 -11.2998 -10.9541 -10.9541 -10.8896 -10.8896 -10.8460 -10.8460 -10.8010 -10.8010 -10.7835 -10.7835 -4.3600 -4.3600 -4.3512 -4.3512 -3.0047 -3.0047 -2.9774 -2.9774 -2.9129 -2.9129 -2.8952 -2.8952 -0.6149 -0.6149 -0.4864 -0.4864 -0.3096 -0.3096 -0.1763 -0.1763 -0.0570 -0.0570 0.0831 0.0831 0.1797 0.1797 0.4686 0.4686 0.5227 0.5227 1.0694 1.0694 1.0912 1.0912 1.1825 1.1825 1.3098 1.3098 1.5033 1.5033 1.5772 1.5772 1.6363 1.6363 1.6938 1.6938 1.7670 1.7670 5.7035 5.7035 5.8241 5.8241 5.8990 5.8990 8.2420 8.2420 8.6391 8.6391 9.6246 9.6246 k = 0.5855 0.0418 0.3438 ( 22992 PWs) bands (ev): -15.5640 -15.5640 -15.5625 -15.5625 -11.2990 -11.2990 -10.9568 -10.9568 -10.8886 -10.8886 -10.8423 -10.8423 -10.8036 -10.8036 -10.7850 -10.7850 -4.3582 -4.3582 -4.3493 -4.3493 -2.9989 -2.9989 -2.9729 -2.9729 -2.9123 -2.9123 -2.8935 -2.8935 -0.6128 -0.6128 -0.4887 -0.4887 -0.3050 -0.3050 -0.1865 -0.1865 -0.0665 -0.0665 0.0830 0.0830 0.2025 0.2025 0.4557 0.4557 0.5123 0.5123 1.0726 1.0726 1.0991 1.0991 1.2018 1.2018 1.2966 1.2966 1.4756 1.4756 1.5670 1.5670 1.6257 1.6257 1.6865 1.6865 1.7731 1.7731 5.6974 5.6974 5.8345 5.8345 5.9092 5.9092 8.2068 8.2068 8.6493 8.6493 9.6420 9.6420 k = 0.5921 0.0228 0.3545 ( 22978 PWs) bands (ev): -15.5641 -15.5641 -15.5623 -15.5623 -11.2983 -11.2983 -10.9592 -10.9592 -10.8875 -10.8875 -10.8389 -10.8389 -10.8061 -10.8061 -10.7866 -10.7866 -4.3567 -4.3567 -4.3474 -4.3474 -2.9940 -2.9940 -2.9683 -2.9683 -2.9115 -2.9115 -2.8917 -2.8917 -0.6145 -0.6145 -0.4865 -0.4865 -0.3002 -0.3002 -0.1983 -0.1983 -0.0726 -0.0726 0.0830 0.0830 0.2237 0.2237 0.4436 0.4436 0.5016 0.5016 1.0755 1.0755 1.1072 1.1072 1.2190 1.2190 1.2848 1.2848 1.4497 1.4497 1.5565 1.5565 1.6151 1.6151 1.6791 1.6791 1.7799 1.7799 5.6907 5.6907 5.8449 5.8449 5.9191 5.9191 8.1734 8.1734 8.6600 8.6600 9.6566 9.6566 k = 0.5987 0.0038 0.3653 ( 22972 PWs) bands (ev): -15.5642 -15.5642 -15.5620 -15.5620 -11.2977 -11.2977 -10.9612 -10.9612 -10.8863 -10.8863 -10.8358 -10.8358 -10.8085 -10.8085 -10.7882 -10.7882 -4.3555 -4.3555 -4.3456 -4.3456 -2.9903 -2.9903 -2.9634 -2.9634 -2.9107 -2.9107 -2.8899 -2.8899 -0.6193 -0.6193 -0.4808 -0.4808 -0.2954 -0.2954 -0.2112 -0.2112 -0.0753 -0.0753 0.0832 0.0832 0.2426 0.2426 0.4329 0.4329 0.4905 0.4905 1.0778 1.0778 1.1156 1.1156 1.2322 1.2322 1.2752 1.2752 1.4274 1.4274 1.5458 1.5458 1.6046 1.6046 1.6719 1.6719 1.7871 1.7871 5.6836 5.6836 5.8549 5.8549 5.9287 5.9287 8.1421 8.1421 8.6713 8.6713 9.6677 9.6677 k = 0.6053-0.0152 0.3760 ( 22980 PWs) bands (ev): -15.5644 -15.5644 -15.5617 -15.5617 -11.2972 -11.2972 -10.9628 -10.9628 -10.8850 -10.8850 -10.8332 -10.8332 -10.8107 -10.8107 -10.7898 -10.7898 -4.3546 -4.3546 -4.3438 -4.3438 -2.9879 -2.9879 -2.9584 -2.9584 -2.9097 -2.9097 -2.8882 -2.8882 -0.6262 -0.6262 -0.4730 -0.4730 -0.2909 -0.2909 -0.2242 -0.2242 -0.0746 -0.0746 0.0835 0.0835 0.2583 0.2583 0.4244 0.4244 0.4792 0.4792 1.0794 1.0794 1.1240 1.1240 1.2383 1.2383 1.2688 1.2688 1.4115 1.4115 1.5352 1.5352 1.5943 1.5943 1.6653 1.6653 1.7946 1.7946 5.6762 5.6762 5.8644 5.8644 5.9376 5.9376 8.1132 8.1132 8.6831 8.6831 9.6746 9.6746 k = 0.6118-0.0342 0.3868 ( 22983 PWs) bands (ev): -15.5646 -15.5646 -15.5615 -15.5615 -11.2969 -11.2969 -10.9641 -10.9641 -10.8837 -10.8837 -10.8312 -10.8312 -10.8125 -10.8125 -10.7914 -10.7914 -4.3540 -4.3540 -4.3420 -4.3420 -2.9869 -2.9869 -2.9534 -2.9534 -2.9088 -2.9088 -2.8867 -2.8867 -0.6341 -0.6341 -0.4643 -0.4643 -0.2874 -0.2874 -0.2360 -0.2360 -0.0709 -0.0709 0.0840 0.0840 0.2700 0.2700 0.4192 0.4192 0.4679 0.4679 1.0801 1.0801 1.1321 1.1321 1.2364 1.2364 1.2648 1.2648 1.4047 1.4047 1.5249 1.5249 1.5843 1.5843 1.6594 1.6594 1.8023 1.8023 5.6685 5.6685 5.8732 5.8732 5.9457 5.9457 8.0869 8.0869 8.6952 8.6952 9.6771 9.6771 k = 0.6184-0.0532 0.3975 ( 22986 PWs) bands (ev): -15.5649 -15.5649 -15.5611 -15.5611 -11.2967 -11.2967 -10.9649 -10.9649 -10.8823 -10.8823 -10.8300 -10.8300 -10.8135 -10.8135 -10.7930 -10.7930 -4.3539 -4.3539 -4.3404 -4.3404 -2.9872 -2.9872 -2.9485 -2.9485 -2.9078 -2.9078 -2.8854 -2.8854 -0.6423 -0.6423 -0.4558 -0.4558 -0.2861 -0.2861 -0.2447 -0.2447 -0.0646 -0.0646 0.0847 0.0847 0.2769 0.2769 0.4176 0.4176 0.4569 0.4569 1.0798 1.0798 1.1397 1.1397 1.2296 1.2296 1.2601 1.2601 1.4075 1.4075 1.5153 1.5153 1.5748 1.5748 1.6545 1.6545 1.8101 1.8101 5.6608 5.6608 5.8812 5.8812 5.9529 5.9529 8.0635 8.0635 8.7075 8.7075 9.6746 9.6746 k = 0.6250-0.0722 0.4082 ( 22966 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9653 -10.9653 -10.8808 -10.8808 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3541 -4.3541 -4.3389 -4.3389 -2.9886 -2.9886 -2.9439 -2.9439 -2.9070 -2.9070 -2.8847 -2.8847 -0.6504 -0.6504 -0.4480 -0.4480 -0.2887 -0.2887 -0.2481 -0.2481 -0.0559 -0.0559 0.0855 0.0855 0.2792 0.2792 0.4186 0.4186 0.4472 0.4472 1.0787 1.0787 1.1459 1.1459 1.2204 1.2204 1.2552 1.2552 1.4177 1.4177 1.5065 1.5065 1.5659 1.5659 1.6506 1.6506 1.8179 1.8179 5.6531 5.6531 5.8881 5.8881 5.9590 5.9590 8.0432 8.0432 8.7201 8.7201 9.6669 9.6669 k = 0.6250-0.0722 0.4082 ( 22966 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9653 -10.9653 -10.8808 -10.8808 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3541 -4.3541 -4.3389 -4.3389 -2.9886 -2.9886 -2.9439 -2.9439 -2.9070 -2.9070 -2.8847 -2.8847 -0.6504 -0.6504 -0.4480 -0.4480 -0.2887 -0.2887 -0.2481 -0.2481 -0.0559 -0.0559 0.0855 0.0855 0.2792 0.2792 0.4186 0.4186 0.4472 0.4472 1.0787 1.0787 1.1459 1.1459 1.2204 1.2204 1.2552 1.2552 1.4177 1.4177 1.5065 1.5065 1.5659 1.5659 1.6506 1.6506 1.8179 1.8179 5.6531 5.6531 5.8881 5.8881 5.9590 5.9590 8.0432 8.0432 8.7201 8.7201 9.6669 9.6669 k = 0.6136-0.0656 0.4268 ( 22980 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9654 -10.9654 -10.8807 -10.8807 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3540 -4.3540 -4.3389 -4.3389 -2.9883 -2.9883 -2.9439 -2.9439 -2.9071 -2.9071 -2.8847 -2.8847 -0.6496 -0.6496 -0.4493 -0.4493 -0.2885 -0.2885 -0.2473 -0.2473 -0.0576 -0.0576 0.0859 0.0859 0.2801 0.2801 0.4181 0.4181 0.4469 0.4469 1.0791 1.0791 1.1459 1.1459 1.2212 1.2212 1.2549 1.2549 1.4179 1.4179 1.5032 1.5032 1.5698 1.5698 1.6492 1.6492 1.8169 1.8169 5.6542 5.6542 5.8860 5.8860 5.9603 5.9603 8.0437 8.0437 8.7189 8.7189 9.6708 9.6708 k = 0.6023-0.0590 0.4454 ( 22978 PWs) bands (ev): -15.5651 -15.5651 -15.5609 -15.5609 -11.2965 -11.2965 -10.9658 -10.9658 -10.8805 -10.8805 -10.8298 -10.8298 -10.8138 -10.8138 -10.7946 -10.7946 -4.3538 -4.3538 -4.3390 -4.3390 -2.9874 -2.9874 -2.9438 -2.9438 -2.9073 -2.9073 -2.8847 -2.8847 -0.6470 -0.6470 -0.4530 -0.4530 -0.2876 -0.2876 -0.2451 -0.2451 -0.0625 -0.0625 0.0871 0.0871 0.2830 0.2830 0.4169 0.4169 0.4458 0.4458 1.0803 1.0803 1.1460 1.1460 1.2232 1.2232 1.2542 1.2542 1.4185 1.4185 1.4951 1.4951 1.5796 1.5796 1.6450 1.6450 1.8141 1.8141 5.6574 5.6574 5.8802 5.8802 5.9637 5.9637 8.0453 8.0453 8.7156 8.7156 9.6823 9.6823 k = 0.5909-0.0525 0.4639 ( 22972 PWs) bands (ev): -15.5650 -15.5650 -15.5610 -15.5610 -11.2963 -11.2963 -10.9663 -10.9663 -10.8802 -10.8802 -10.8298 -10.8298 -10.8138 -10.8138 -10.7946 -10.7946 -4.3534 -4.3534 -4.3390 -4.3390 -2.9860 -2.9860 -2.9438 -2.9438 -2.9076 -2.9076 -2.8847 -2.8847 -0.6427 -0.6427 -0.4591 -0.4591 -0.2859 -0.2859 -0.2418 -0.2418 -0.0704 -0.0704 0.0888 0.0888 0.2877 0.2877 0.4147 0.4147 0.4440 0.4440 1.0823 1.0823 1.1459 1.1459 1.2257 1.2257 1.2541 1.2541 1.4193 1.4193 1.4851 1.4851 1.5925 1.5925 1.6384 1.6384 1.8096 1.8096 5.6626 5.6626 5.8716 5.8716 5.9684 5.9684 8.0478 8.0478 8.7102 8.7102 9.7007 9.7007 k = 0.5795-0.0459 0.4825 ( 22964 PWs) bands (ev): -15.5648 -15.5648 -15.5611 -15.5611 -11.2961 -11.2961 -10.9670 -10.9670 -10.8798 -10.8798 -10.8299 -10.8299 -10.8139 -10.8139 -10.7946 -10.7946 -4.3528 -4.3528 -4.3390 -4.3390 -2.9840 -2.9840 -2.9438 -2.9438 -2.9080 -2.9080 -2.8847 -2.8847 -0.6369 -0.6369 -0.4671 -0.4671 -0.2830 -0.2830 -0.2380 -0.2380 -0.0807 -0.0807 0.0907 0.0907 0.2942 0.2942 0.4118 0.4118 0.4416 0.4416 1.0851 1.0851 1.1457 1.1457 1.2269 1.2269 1.2564 1.2564 1.4201 1.4201 1.4748 1.4748 1.6066 1.6066 1.6298 1.6298 1.8033 1.8033 5.6698 5.6698 5.8612 5.8612 5.9735 5.9735 8.0510 8.0510 8.7034 8.7034 9.7244 9.7244 k = 0.5682-0.0394 0.5010 ( 22990 PWs) bands (ev): -15.5646 -15.5646 -15.5613 -15.5613 -11.2958 -11.2958 -10.9678 -10.9678 -10.8794 -10.8794 -10.8299 -10.8299 -10.8139 -10.8139 -10.7945 -10.7945 -4.3522 -4.3522 -4.3391 -4.3391 -2.9816 -2.9816 -2.9441 -2.9441 -2.9084 -2.9084 -2.8846 -2.8846 -0.6296 -0.6296 -0.4768 -0.4768 -0.2788 -0.2788 -0.2338 -0.2338 -0.0931 -0.0931 0.0927 0.0927 0.3023 0.3023 0.4081 0.4081 0.4386 0.4386 1.0886 1.0886 1.1452 1.1452 1.2258 1.2258 1.2622 1.2622 1.4204 1.4204 1.4649 1.4649 1.6162 1.6162 1.6250 1.6250 1.7953 1.7953 5.6786 5.6786 5.8494 5.8494 5.9784 5.9784 8.0548 8.0548 8.6954 8.6954 9.7506 9.7506 k = 0.5568-0.0328 0.5196 ( 22982 PWs) bands (ev): -15.5644 -15.5644 -15.5614 -15.5614 -11.2955 -11.2955 -10.9686 -10.9686 -10.8791 -10.8791 -10.8299 -10.8299 -10.8140 -10.8140 -10.7945 -10.7945 -4.3514 -4.3514 -4.3392 -4.3392 -2.9787 -2.9787 -2.9447 -2.9447 -2.9088 -2.9088 -2.8845 -2.8845 -0.6211 -0.6211 -0.4876 -0.4876 -0.2736 -0.2736 -0.2295 -0.2295 -0.1070 -0.1070 0.0945 0.0945 0.3117 0.3117 0.4037 0.4037 0.4350 0.4350 1.0928 1.0928 1.1441 1.1441 1.2229 1.2229 1.2710 1.2710 1.4198 1.4198 1.4560 1.4560 1.6071 1.6071 1.6386 1.6386 1.7859 1.7859 5.6889 5.6889 5.8369 5.8369 5.9829 5.9829 8.0588 8.0588 8.6870 8.6870 9.7762 9.7762 k = 0.5455-0.0262 0.5381 ( 22986 PWs) bands (ev): -15.5642 -15.5642 -15.5617 -15.5617 -11.2952 -11.2952 -10.9695 -10.9695 -10.8787 -10.8787 -10.8299 -10.8299 -10.8141 -10.8141 -10.7945 -10.7945 -4.3506 -4.3506 -4.3394 -4.3394 -2.9755 -2.9755 -2.9457 -2.9457 -2.9091 -2.9091 -2.8844 -2.8844 -0.6115 -0.6115 -0.4992 -0.4992 -0.2677 -0.2677 -0.2247 -0.2247 -0.1221 -0.1221 0.0961 0.0961 0.3222 0.3222 0.3988 0.3988 0.4309 0.4309 1.0975 1.0975 1.1422 1.1422 1.2195 1.2195 1.2817 1.2817 1.4178 1.4178 1.4481 1.4481 1.5964 1.5964 1.6540 1.6540 1.7751 1.7751 5.7002 5.7002 5.8239 5.8239 5.9867 5.9867 8.0627 8.0627 8.6789 8.6789 9.8005 9.8005 k = 0.5341-0.0197 0.5567 ( 22968 PWs) bands (ev): -15.5639 -15.5639 -15.5619 -15.5619 -11.2950 -11.2950 -10.9702 -10.9702 -10.8785 -10.8785 -10.8299 -10.8299 -10.8141 -10.8141 -10.7945 -10.7945 -4.3498 -4.3498 -4.3396 -4.3396 -2.9721 -2.9721 -2.9472 -2.9472 -2.9093 -2.9093 -2.8842 -2.8842 -0.6014 -0.6014 -0.5110 -0.5110 -0.2619 -0.2619 -0.2188 -0.2188 -0.1377 -0.1377 0.0972 0.0972 0.3332 0.3332 0.3938 0.3938 0.4263 0.4263 1.1027 1.1027 1.1395 1.1395 1.2164 1.2164 1.2931 1.2931 1.4141 1.4141 1.4417 1.4417 1.5869 1.5869 1.6694 1.6694 1.7633 1.7633 5.7121 5.7121 5.8110 5.8110 5.9897 5.9897 8.0661 8.0661 8.6716 8.6716 9.8249 9.8249 k = 0.5227-0.0131 0.5753 ( 22952 PWs) bands (ev): -15.5636 -15.5636 -15.5622 -15.5622 -11.2947 -11.2947 -10.9708 -10.9708 -10.8783 -10.8783 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3490 -4.3490 -4.3399 -4.3399 -2.9687 -2.9687 -2.9491 -2.9491 -2.9093 -2.9093 -2.8840 -2.8840 -0.5913 -0.5913 -0.5222 -0.5222 -0.2570 -0.2570 -0.2112 -0.2112 -0.1535 -0.1535 0.0980 0.0980 0.3437 0.3437 0.3891 0.3891 0.4217 0.4217 1.1080 1.1080 1.1359 1.1359 1.2142 1.2142 1.3041 1.3041 1.4090 1.4090 1.4367 1.4367 1.5797 1.5797 1.6843 1.6843 1.7508 1.7508 5.7237 5.7237 5.7988 5.7988 5.9919 5.9919 8.0689 8.0689 8.6658 8.6658 9.8504 9.8504 k = 0.5114-0.0066 0.5938 ( 22932 PWs) bands (ev): -15.5633 -15.5633 -15.5625 -15.5625 -11.2946 -11.2946 -10.9712 -10.9712 -10.8782 -10.8782 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3485 -4.3485 -4.3401 -4.3401 -2.9657 -2.9657 -2.9511 -2.9511 -2.9093 -2.9093 -2.8839 -2.8839 -0.5829 -0.5829 -0.5313 -0.5313 -0.2540 -0.2540 -0.2016 -0.2016 -0.1684 -0.1684 0.0985 0.0985 0.3518 0.3518 0.3861 0.3861 0.4174 0.4174 1.1127 1.1127 1.1322 1.1322 1.2130 1.2130 1.3126 1.3126 1.4039 1.4039 1.4335 1.4335 1.5753 1.5753 1.6975 1.6975 1.7389 1.7389 5.7335 5.7335 5.7889 5.7889 5.9933 5.9933 8.0706 8.0706 8.6620 8.6620 9.8774 9.8774 k = 0.5000 0.0000 0.6124 ( 22940 PWs) bands (ev): -15.5629 -15.5629 -15.5629 -15.5629 -11.2945 -11.2945 -10.9713 -10.9713 -10.8782 -10.8782 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3482 -4.3482 -4.3402 -4.3402 -2.9644 -2.9644 -2.9522 -2.9522 -2.9093 -2.9093 -2.8838 -2.8838 -0.5792 -0.5792 -0.5352 -0.5352 -0.2530 -0.2530 -0.1942 -0.1942 -0.1776 -0.1776 0.0986 0.0986 0.3547 0.3547 0.3855 0.3855 0.4153 0.4153 1.1149 1.1149 1.1302 1.1302 1.2127 1.2127 1.3160 1.3160 1.4015 1.4015 1.4323 1.4323 1.5739 1.5739 1.7043 1.7043 1.7325 1.7325 5.7377 5.7377 5.7846 5.7846 5.9937 5.9937 8.0712 8.0712 8.6607 8.6607 9.9043 9.9071 k = 0.5000 0.0000 0.6124 ( 22940 PWs) bands (ev): -15.5629 -15.5629 -15.5629 -15.5629 -11.2945 -11.2945 -10.9713 -10.9713 -10.8782 -10.8782 -10.8298 -10.8298 -10.8141 -10.8141 -10.7945 -10.7945 -4.3482 -4.3482 -4.3402 -4.3402 -2.9644 -2.9644 -2.9522 -2.9522 -2.9093 -2.9093 -2.8838 -2.8838 -0.5792 -0.5792 -0.5352 -0.5352 -0.2530 -0.2530 -0.1942 -0.1942 -0.1776 -0.1776 0.0986 0.0986 0.3547 0.3547 0.3855 0.3855 0.4153 0.4153 1.1149 1.1149 1.1302 1.1302 1.2127 1.2127 1.3160 1.3160 1.4015 1.4015 1.4323 1.4323 1.5739 1.5739 1.7043 1.7043 1.7325 1.7325 5.7377 5.7377 5.7846 5.7846 5.9937 5.9937 8.0712 8.0712 8.6607 8.6607 9.9040 9.9073 k = 0.5000 0.0131 0.5938 ( 22940 PWs) bands (ev): -15.5629 -15.5629 -15.5629 -15.5629 -11.2946 -11.2946 -10.9711 -10.9711 -10.8784 -10.8784 -10.8298 -10.8298 -10.8142 -10.8142 -10.7943 -10.7943 -4.3484 -4.3484 -4.3403 -4.3403 -2.9648 -2.9648 -2.9525 -2.9525 -2.9094 -2.9094 -2.8840 -2.8840 -0.5785 -0.5785 -0.5359 -0.5359 -0.2539 -0.2539 -0.1936 -0.1936 -0.1766 -0.1766 0.0984 0.0984 0.3527 0.3527 0.3823 0.3823 0.4209 0.4209 1.1146 1.1146 1.1298 1.1298 1.2132 1.2132 1.3155 1.3155 1.4008 1.4008 1.4346 1.4346 1.5759 1.5759 1.7043 1.7043 1.7324 1.7324 5.7377 5.7377 5.7846 5.7846 5.9927 5.9927 8.0732 8.0732 8.6603 8.6603 9.9019 9.9055 k = 0.5000 0.0262 0.5753 ( 22950 PWs) bands (ev): -15.5629 -15.5629 -15.5629 -15.5629 -11.2948 -11.2948 -10.9706 -10.9706 -10.8789 -10.8789 -10.8298 -10.8298 -10.8142 -10.8142 -10.7938 -10.7938 -4.3487 -4.3487 -4.3407 -4.3407 -2.9660 -2.9660 -2.9534 -2.9534 -2.9096 -2.9096 -2.8845 -2.8845 -0.5762 -0.5762 -0.5380 -0.5380 -0.2564 -0.2564 -0.1918 -0.1918 -0.1736 -0.1736 0.0977 0.0977 0.3449 0.3449 0.3800 0.3800 0.4324 0.4324 1.1133 1.1133 1.1286 1.1286 1.2148 1.2148 1.3131 1.3131 1.3999 1.3999 1.4408 1.4408 1.5817 1.5817 1.7042 1.7042 1.7323 1.7323 5.7376 5.7376 5.7844 5.7844 5.9899 5.9899 8.0791 8.0791 8.6590 8.6590 9.8933 9.8952 k = 0.5000 0.0394 0.5567 ( 22952 PWs) bands (ev): -15.5629 -15.5629 -15.5629 -15.5629 -11.2951 -11.2951 -10.9697 -10.9697 -10.8798 -10.8798 -10.8301 -10.8301 -10.8140 -10.8140 -10.7929 -10.7929 -4.3494 -4.3494 -4.3414 -4.3414 -2.9682 -2.9682 -2.9548 -2.9548 -2.9100 -2.9100 -2.8853 -2.8853 -0.5724 -0.5724 -0.5415 -0.5415 -0.2604 -0.2604 -0.1891 -0.1891 -0.1684 -0.1684 0.0967 0.0967 0.3309 0.3309 0.3830 0.3830 0.4451 0.4451 1.1106 1.1106 1.1270 1.1270 1.2181 1.2181 1.3076 1.3076 1.4017 1.4017 1.4501 1.4501 1.5903 1.5903 1.7041 1.7041 1.7322 1.7322 5.7375 5.7375 5.7842 5.7842 5.9851 5.9851 8.0890 8.0890 8.6570 8.6570 9.8803 9.8817 k = 0.5000 0.0525 0.5381 ( 22968 PWs) bands (ev): -15.5630 -15.5630 -15.5630 -15.5630 -11.2955 -11.2955 -10.9685 -10.9685 -10.8808 -10.8808 -10.8309 -10.8309 -10.8134 -10.8134 -10.7917 -10.7917 -4.3503 -4.3503 -4.3423 -4.3423 -2.9712 -2.9712 -2.9568 -2.9568 -2.9105 -2.9105 -2.8864 -2.8864 -0.5672 -0.5672 -0.5464 -0.5464 -0.2656 -0.2656 -0.1860 -0.1860 -0.1609 -0.1609 0.0955 0.0955 0.3134 0.3134 0.3900 0.3900 0.4578 0.4578 1.1064 1.1064 1.1247 1.1247 1.2238 1.2238 1.2979 1.2979 1.4078 1.4078 1.4616 1.4616 1.6008 1.6008 1.7040 1.7040 1.7320 1.7320 5.7374 5.7374 5.7839 5.7839 5.9787 5.9787 8.1026 8.1026 8.6542 8.6542 9.8623 9.8645 k = 0.5000 0.0656 0.5196 ( 22974 PWs) bands (ev): -15.5630 -15.5630 -15.5630 -15.5630 -11.2960 -11.2960 -10.9670 -10.9670 -10.8821 -10.8821 -10.8323 -10.8323 -10.8122 -10.8122 -10.7904 -10.7904 -4.3514 -4.3514 -4.3434 -4.3434 -2.9750 -2.9750 -2.9593 -2.9593 -2.9111 -2.9111 -2.8877 -2.8877 -0.5608 -0.5608 -0.5523 -0.5523 -0.2717 -0.2717 -0.1826 -0.1826 -0.1508 -0.1508 0.0940 0.0940 0.2940 0.2940 0.3995 0.3995 0.4703 0.4703 1.1010 1.1010 1.1214 1.1214 1.2317 1.2317 1.2846 1.2846 1.4185 1.4185 1.4751 1.4751 1.6125 1.6125 1.7038 1.7038 1.7319 1.7319 5.7371 5.7371 5.7835 5.7835 5.9705 5.9705 8.1199 8.1199 8.6508 8.6508 9.8403 9.8431 k = 0.5000 0.0787 0.5010 ( 22980 PWs) bands (ev): -15.5631 -15.5631 -15.5630 -15.5630 -11.2966 -11.2966 -10.9652 -10.9652 -10.8834 -10.8834 -10.8343 -10.8343 -10.8105 -10.8105 -10.7891 -10.7891 -4.3527 -4.3527 -4.3448 -4.3448 -2.9796 -2.9796 -2.9622 -2.9622 -2.9116 -2.9116 -2.8892 -2.8892 -0.5610 -0.5610 -0.5515 -0.5515 -0.2784 -0.2784 -0.1790 -0.1790 -0.1385 -0.1385 0.0925 0.0925 0.2732 0.2732 0.4109 0.4109 0.4822 0.4822 1.0950 1.0950 1.1170 1.1170 1.2407 1.2407 1.2697 1.2697 1.4333 1.4333 1.4899 1.4899 1.6245 1.6245 1.7035 1.7035 1.7320 1.7320 5.7367 5.7367 5.7831 5.7831 5.9609 5.9609 8.1407 8.1407 8.6467 8.6467 9.8149 9.8151 k = 0.5000 0.0919 0.4825 ( 22976 PWs) bands (ev): -15.5632 -15.5632 -15.5631 -15.5631 -11.2973 -11.2973 -10.9630 -10.9630 -10.8848 -10.8848 -10.8368 -10.8368 -10.8083 -10.8083 -10.7877 -10.7877 -4.3542 -4.3542 -4.3463 -4.3463 -2.9849 -2.9849 -2.9655 -2.9655 -2.9122 -2.9122 -2.8908 -2.8908 -0.5695 -0.5695 -0.5422 -0.5422 -0.2853 -0.2853 -0.1754 -0.1754 -0.1243 -0.1243 0.0910 0.0910 0.2512 0.2512 0.4236 0.4236 0.4937 0.4937 1.0887 1.0887 1.1117 1.1117 1.2406 1.2406 1.2639 1.2639 1.4513 1.4513 1.5056 1.5056 1.6364 1.6364 1.7033 1.7033 1.7324 1.7324 5.7361 5.7361 5.7827 5.7827 5.9501 5.9501 8.1648 8.1648 8.6420 8.6420 9.7868 9.7869 k = 0.5000 0.1050 0.4639 ( 22988 PWs) bands (ev): -15.5632 -15.5632 -15.5631 -15.5631 -11.2981 -11.2981 -10.9605 -10.9605 -10.8862 -10.8862 -10.8398 -10.8398 -10.8060 -10.8060 -10.7862 -10.7862 -4.3559 -4.3559 -4.3479 -4.3479 -2.9908 -2.9908 -2.9693 -2.9693 -2.9126 -2.9126 -2.8924 -2.8924 -0.5793 -0.5793 -0.5313 -0.5313 -0.2922 -0.2922 -0.1717 -0.1717 -0.1083 -0.1083 0.0895 0.0895 0.2284 0.2284 0.4373 0.4373 0.5046 0.5046 1.0825 1.0825 1.1056 1.1056 1.2241 1.2241 1.2748 1.2748 1.4718 1.4718 1.5219 1.5219 1.6477 1.6477 1.7030 1.7030 1.7332 1.7332 5.7354 5.7354 5.7823 5.7823 5.9382 5.9382 8.1918 8.1918 8.6369 8.6369 9.7569 9.7571 k = 0.5000 0.1181 0.4454 ( 22988 PWs) bands (ev): -15.5633 -15.5633 -15.5632 -15.5632 -11.2989 -11.2989 -10.9578 -10.9578 -10.8875 -10.8875 -10.8430 -10.8430 -10.8035 -10.8035 -10.7847 -10.7847 -4.3578 -4.3578 -4.3496 -4.3496 -2.9972 -2.9972 -2.9733 -2.9733 -2.9131 -2.9131 -2.8940 -2.8940 -0.5901 -0.5901 -0.5191 -0.5191 -0.2988 -0.2988 -0.1680 -0.1680 -0.0911 -0.0911 0.0883 0.0883 0.2047 0.2047 0.4514 0.4514 0.5151 0.5151 1.0766 1.0766 1.0991 1.0991 1.2039 1.2039 1.2895 1.2895 1.4941 1.4941 1.5383 1.5383 1.6582 1.6582 1.7028 1.7028 1.7345 1.7345 5.7343 5.7343 5.7818 5.7818 5.9255 5.9255 8.2214 8.2214 8.6314 8.6314 9.7256 9.7257 k = 0.5000 0.1312 0.4268 ( 22992 PWs) bands (ev): -15.5634 -15.5634 -15.5633 -15.5633 -11.2997 -11.2997 -10.9547 -10.9547 -10.8887 -10.8887 -10.8466 -10.8466 -10.8010 -10.8010 -10.7833 -10.7833 -4.3597 -4.3597 -4.3514 -4.3514 -3.0038 -3.0038 -2.9775 -2.9775 -2.9134 -2.9134 -2.8956 -2.8956 -0.6015 -0.6015 -0.5056 -0.5056 -0.3050 -0.3050 -0.1642 -0.1642 -0.0731 -0.0731 0.0872 0.0872 0.1805 0.1805 0.4658 0.4658 0.5250 0.5250 1.0710 1.0710 1.0925 1.0925 1.1831 1.1831 1.3051 1.3051 1.5175 1.5175 1.5543 1.5543 1.6674 1.6674 1.7029 1.7029 1.7366 1.7366 5.7330 5.7330 5.7814 5.7814 5.9125 5.9125 8.2534 8.2534 8.6256 8.6256 9.6936 9.6937 k = 0.5000 0.1443 0.4082 ( 22964 PWs) bands (ev): -15.5635 -15.5635 -15.5633 -15.5633 -11.3006 -11.3006 -10.9514 -10.9514 -10.8899 -10.8899 -10.8504 -10.8504 -10.7985 -10.7985 -10.7818 -10.7818 -4.3617 -4.3617 -4.3531 -4.3531 -3.0106 -3.0106 -2.9819 -2.9819 -2.9136 -2.9136 -2.8971 -2.8971 -0.6133 -0.6133 -0.4910 -0.4910 -0.3107 -0.3107 -0.1604 -0.1604 -0.0546 -0.0546 0.0864 0.0864 0.1559 0.1559 0.4798 0.4798 0.5346 0.5346 1.0660 1.0660 1.0859 1.0859 1.1622 1.1622 1.3209 1.3209 1.5413 1.5413 1.5697 1.5697 1.6752 1.6752 1.7035 1.7035 1.7395 1.7395 5.7313 5.7313 5.7808 5.7808 5.8993 5.8993 8.2872 8.2872 8.6197 8.6197 9.6610 9.6611 k = 0.5000 0.1575 0.3897 ( 22992 PWs) bands (ev): -15.5636 -15.5636 -15.5634 -15.5634 -11.3014 -11.3014 -10.9479 -10.9479 -10.8909 -10.8909 -10.8544 -10.8544 -10.7961 -10.7961 -10.7804 -10.7804 -4.3638 -4.3638 -4.3549 -4.3549 -3.0174 -3.0174 -2.9863 -2.9863 -2.9138 -2.9138 -2.8986 -2.8986 -0.6253 -0.6253 -0.4754 -0.4754 -0.3158 -0.3158 -0.1567 -0.1567 -0.0361 -0.0361 0.0856 0.0856 0.1312 0.1312 0.4933 0.4933 0.5436 0.5436 1.0616 1.0616 1.0795 1.0795 1.1417 1.1417 1.3365 1.3365 1.5648 1.5648 1.5841 1.5841 1.6813 1.6813 1.7049 1.7049 1.7433 1.7433 5.7292 5.7292 5.7801 5.7801 5.8865 5.8865 8.3223 8.3223 8.6138 8.6138 9.6280 9.6282 k = 0.5000 0.1706 0.3711 ( 22992 PWs) bands (ev): -15.5636 -15.5636 -15.5634 -15.5634 -11.3022 -11.3022 -10.9442 -10.9442 -10.8918 -10.8918 -10.8586 -10.8586 -10.7940 -10.7940 -10.7790 -10.7790 -4.3658 -4.3658 -4.3566 -4.3566 -3.0241 -3.0241 -2.9907 -2.9907 -2.9139 -2.9139 -2.9000 -2.9000 -0.6370 -0.6370 -0.4590 -0.4590 -0.3203 -0.3203 -0.1531 -0.1531 -0.0181 -0.0181 0.0844 0.0844 0.1075 0.1075 0.5060 0.5060 0.5523 0.5523 1.0577 1.0577 1.0734 1.0734 1.1220 1.1220 1.3517 1.3517 1.5866 1.5866 1.5977 1.5977 1.6857 1.6857 1.7075 1.7075 1.7480 1.7480 5.7268 5.7268 5.7793 5.7793 5.8744 5.8744 8.3581 8.3581 8.6080 8.6080 9.5948 9.5952 k = 0.5000 0.1837 0.3526 ( 22998 PWs) bands (ev): -15.5637 -15.5637 -15.5635 -15.5635 -11.3031 -11.3031 -10.9402 -10.9402 -10.8927 -10.8927 -10.8630 -10.8630 -10.7920 -10.7920 -10.7776 -10.7776 -4.3677 -4.3677 -4.3582 -4.3582 -3.0304 -3.0304 -2.9948 -2.9948 -2.9138 -2.9138 -2.9014 -2.9014 -0.6483 -0.6483 -0.4419 -0.4419 -0.3243 -0.3243 -0.1496 -0.1496 -0.0014 -0.0014 0.0763 0.0763 0.0917 0.0917 0.5174 0.5174 0.5606 0.5606 1.0542 1.0542 1.0677 1.0677 1.1035 1.1035 1.3661 1.3661 1.6031 1.6031 1.6129 1.6129 1.6886 1.6886 1.7113 1.7113 1.7535 1.7535 5.7241 5.7241 5.7781 5.7781 5.8635 5.8635 8.3941 8.3941 8.6024 8.6024 9.5620 9.5629 k = 0.5000 0.1968 0.3340 ( 22992 PWs) bands (ev): -15.5638 -15.5638 -15.5635 -15.5635 -11.3038 -11.3038 -10.9361 -10.9361 -10.8933 -10.8933 -10.8674 -10.8674 -10.7903 -10.7903 -10.7763 -10.7763 -4.3696 -4.3696 -4.3597 -4.3597 -3.0363 -3.0363 -2.9988 -2.9988 -2.9137 -2.9137 -2.9026 -2.9026 -0.6589 -0.6589 -0.4244 -0.4244 -0.3277 -0.3277 -0.1464 -0.1464 0.0125 0.0125 0.0567 0.0567 0.0898 0.0898 0.5274 0.5274 0.5685 0.5685 1.0511 1.0511 1.0626 1.0626 1.0865 1.0865 1.3796 1.3796 1.6129 1.6129 1.6306 1.6306 1.6907 1.6907 1.7160 1.7160 1.7597 1.7597 5.7209 5.7209 5.7767 5.7767 5.8539 5.8539 8.4294 8.4294 8.5971 8.5971 9.5293 9.5327 k = 0.5000 0.2099 0.3155 ( 22988 PWs) bands (ev): -15.5638 -15.5638 -15.5636 -15.5636 -11.3045 -11.3045 -10.9318 -10.9318 -10.8939 -10.8939 -10.8720 -10.8720 -10.7888 -10.7888 -10.7751 -10.7751 -4.3713 -4.3713 -4.3611 -4.3611 -3.0417 -3.0417 -3.0024 -3.0024 -2.9135 -2.9135 -2.9038 -2.9038 -0.6686 -0.6686 -0.4069 -0.4069 -0.3306 -0.3306 -0.1435 -0.1435 0.0164 0.0164 0.0438 0.0438 0.0909 0.0909 0.5360 0.5360 0.5758 0.5758 1.0481 1.0481 1.0580 1.0580 1.0715 1.0715 1.3921 1.3921 1.6193 1.6193 1.6470 1.6470 1.6923 1.6923 1.7210 1.7210 1.7665 1.7665 5.7176 5.7176 5.7750 5.7750 5.8460 5.8460 8.4632 8.4632 8.5923 8.5923 9.4987 9.5011 k = 0.5000 0.2231 0.2969 ( 22988 PWs) bands (ev): -15.5639 -15.5639 -15.5636 -15.5636 -11.3051 -11.3051 -10.9274 -10.9274 -10.8944 -10.8944 -10.8766 -10.8766 -10.7876 -10.7876 -10.7740 -10.7740 -4.3728 -4.3728 -4.3623 -4.3623 -3.0464 -3.0464 -3.0055 -3.0055 -2.9133 -2.9133 -2.9049 -2.9049 -0.6771 -0.6771 -0.3899 -0.3899 -0.3330 -0.3330 -0.1409 -0.1409 0.0018 0.0018 0.0478 0.0478 0.0931 0.0931 0.5431 0.5431 0.5825 0.5825 1.0442 1.0442 1.0539 1.0539 1.0599 1.0599 1.4031 1.4031 1.6234 1.6234 1.6610 1.6610 1.6937 1.6937 1.7258 1.7258 1.7736 1.7736 5.7141 5.7141 5.7731 5.7731 5.8398 5.8398 8.4945 8.4945 8.5881 8.5881 9.4708 9.4730 k = 0.5000 0.2362 0.2784 ( 22996 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3056 -11.3056 -10.9230 -10.9230 -10.8948 -10.8948 -10.8813 -10.8813 -10.7866 -10.7866 -10.7731 -10.7731 -4.3741 -4.3741 -4.3633 -4.3633 -3.0504 -3.0504 -3.0082 -3.0082 -2.9130 -2.9130 -2.9060 -2.9060 -0.6843 -0.6843 -0.3738 -0.3738 -0.3349 -0.3349 -0.1387 -0.1387 -0.0170 -0.0170 0.0551 0.0551 0.0964 0.0964 0.5487 0.5487 0.5883 0.5883 1.0379 1.0379 1.0504 1.0504 1.0532 1.0532 1.4126 1.4126 1.6257 1.6257 1.6725 1.6725 1.6949 1.6949 1.7300 1.7300 1.7806 1.7806 5.7108 5.7108 5.7712 5.7712 5.8352 5.8352 8.5222 8.5222 8.5845 8.5845 9.4386 9.4437 k = 0.5000 0.2493 0.2598 ( 22986 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3060 -11.3060 -10.9185 -10.9185 -10.8951 -10.8951 -10.8859 -10.8859 -10.7858 -10.7858 -10.7723 -10.7723 -4.3751 -4.3751 -4.3641 -4.3641 -3.0536 -3.0536 -3.0104 -3.0104 -2.9126 -2.9126 -2.9068 -2.9068 -0.6900 -0.6900 -0.3597 -0.3597 -0.3364 -0.3364 -0.1369 -0.1369 -0.0341 -0.0341 0.0606 0.0606 0.1001 0.1001 0.5530 0.5530 0.5930 0.5930 1.0305 1.0305 1.0479 1.0479 1.0502 1.0502 1.4203 1.4203 1.6269 1.6269 1.6814 1.6814 1.6958 1.6958 1.7333 1.7333 1.7870 1.7870 5.7078 5.7078 5.7695 5.7695 5.8320 5.8320 8.5454 8.5454 8.5817 8.5817 9.4154 9.4154 k = 0.5000 0.2624 0.2412 ( 22992 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3063 -11.3063 -10.9143 -10.9143 -10.8953 -10.8953 -10.8902 -10.8902 -10.7853 -10.7853 -10.7717 -10.7717 -4.3759 -4.3759 -4.3647 -4.3647 -3.0559 -3.0559 -3.0119 -3.0119 -2.9123 -2.9123 -2.9076 -2.9076 -0.6942 -0.6942 -0.3483 -0.3483 -0.3374 -0.3374 -0.1356 -0.1356 -0.0477 -0.0477 0.0642 0.0642 0.1036 0.1036 0.5560 0.5560 0.5965 0.5965 1.0243 1.0243 1.0461 1.0461 1.0486 1.0486 1.4260 1.4260 1.6273 1.6273 1.6879 1.6879 1.6964 1.6964 1.7356 1.7356 1.7921 1.7921 5.7054 5.7054 5.7681 5.7681 5.8299 5.8299 8.5627 8.5627 8.5797 8.5797 9.3978 9.3978 k = 0.5000 0.2756 0.2227 ( 23010 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3065 -11.3065 -10.9107 -10.9107 -10.8954 -10.8954 -10.8938 -10.8938 -10.7849 -10.7849 -10.7714 -10.7714 -4.3763 -4.3763 -4.3651 -4.3651 -3.0574 -3.0574 -3.0129 -3.0129 -2.9120 -2.9120 -2.9081 -2.9081 -0.6967 -0.6967 -0.3410 -0.3410 -0.3380 -0.3380 -0.1348 -0.1348 -0.0566 -0.0566 0.0660 0.0660 0.1060 0.1060 0.5577 0.5577 0.5986 0.5986 1.0204 1.0204 1.0451 1.0451 1.0479 1.0479 1.4295 1.4295 1.6274 1.6274 1.6919 1.6919 1.6966 1.6966 1.7369 1.7369 1.7953 1.7953 5.7039 5.7039 5.7673 5.7673 5.8287 5.8287 8.5730 8.5730 8.5792 8.5792 9.3869 9.3869 k = 0.5000 0.2887 0.2041 ( 23024 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3066 -11.3066 -10.9091 -10.9091 -10.8956 -10.8956 -10.8953 -10.8953 -10.7848 -10.7848 -10.7713 -10.7713 -4.3765 -4.3765 -4.3652 -4.3652 -3.0578 -3.0578 -3.0132 -3.0132 -2.9119 -2.9119 -2.9083 -2.9083 -0.6976 -0.6976 -0.3389 -0.3389 -0.3377 -0.3377 -0.1345 -0.1345 -0.0597 -0.0597 0.0666 0.0666 0.1069 0.1069 0.5583 0.5583 0.5993 0.5993 1.0190 1.0190 1.0447 1.0447 1.0476 1.0476 1.4307 1.4307 1.6275 1.6275 1.6934 1.6934 1.6966 1.6966 1.7374 1.7374 1.7965 1.7965 5.7034 5.7034 5.7670 5.7670 5.8283 5.8283 8.5754 8.5754 8.5800 8.5800 9.3831 9.3831 k = 0.5000 0.2887 0.2041 ( 23024 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3066 -11.3066 -10.9091 -10.9091 -10.8956 -10.8956 -10.8953 -10.8953 -10.7848 -10.7848 -10.7713 -10.7713 -4.3765 -4.3765 -4.3652 -4.3652 -3.0578 -3.0578 -3.0132 -3.0132 -2.9119 -2.9119 -2.9083 -2.9083 -0.6976 -0.6976 -0.3389 -0.3389 -0.3377 -0.3377 -0.1345 -0.1345 -0.0597 -0.0597 0.0666 0.0666 0.1069 0.1069 0.5583 0.5583 0.5993 0.5993 1.0190 1.0190 1.0447 1.0447 1.0476 1.0476 1.4307 1.4307 1.6275 1.6275 1.6934 1.6934 1.6966 1.6966 1.7374 1.7374 1.7965 1.7965 5.7034 5.7034 5.7670 5.7670 5.8283 5.8283 8.5754 8.5754 8.5800 8.5800 9.3831 9.3831 k = 0.4934 0.2849 0.2256 ( 23010 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3065 -11.3065 -10.9107 -10.9107 -10.8954 -10.8954 -10.8938 -10.8938 -10.7849 -10.7849 -10.7714 -10.7714 -4.3763 -4.3763 -4.3651 -4.3651 -3.0573 -3.0573 -3.0129 -3.0129 -2.9120 -2.9120 -2.9081 -2.9081 -0.6967 -0.6967 -0.3410 -0.3410 -0.3380 -0.3380 -0.1348 -0.1348 -0.0566 -0.0566 0.0660 0.0660 0.1060 0.1060 0.5577 0.5577 0.5986 0.5986 1.0204 1.0204 1.0451 1.0451 1.0479 1.0479 1.4295 1.4295 1.6274 1.6274 1.6919 1.6919 1.6966 1.6966 1.7369 1.7369 1.7953 1.7953 5.7039 5.7039 5.7673 5.7673 5.8287 5.8287 8.5729 8.5729 8.5792 8.5792 9.3869 9.3869 k = 0.4868 0.2811 0.2471 ( 22999 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3063 -11.3063 -10.9143 -10.9143 -10.8953 -10.8953 -10.8902 -10.8902 -10.7853 -10.7853 -10.7717 -10.7717 -4.3759 -4.3759 -4.3647 -4.3647 -3.0559 -3.0559 -3.0119 -3.0119 -2.9123 -2.9123 -2.9076 -2.9076 -0.6942 -0.6942 -0.3484 -0.3484 -0.3374 -0.3374 -0.1356 -0.1356 -0.0476 -0.0476 0.0641 0.0641 0.1036 0.1036 0.5559 0.5559 0.5965 0.5965 1.0243 1.0243 1.0461 1.0461 1.0486 1.0486 1.4260 1.4260 1.6273 1.6273 1.6879 1.6879 1.6963 1.6963 1.7356 1.7356 1.7920 1.7920 5.7054 5.7054 5.7681 5.7681 5.8299 5.8299 8.5626 8.5626 8.5798 8.5798 9.3979 9.3979 k = 0.4803 0.2773 0.2686 ( 22994 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3060 -11.3060 -10.9186 -10.9186 -10.8951 -10.8951 -10.8858 -10.8858 -10.7858 -10.7858 -10.7723 -10.7723 -4.3751 -4.3751 -4.3641 -4.3641 -3.0536 -3.0536 -3.0104 -3.0104 -2.9126 -2.9126 -2.9068 -2.9068 -0.6900 -0.6900 -0.3597 -0.3597 -0.3364 -0.3364 -0.1369 -0.1369 -0.0339 -0.0339 0.0606 0.0606 0.1000 0.1000 0.5529 0.5529 0.5930 0.5930 1.0305 1.0305 1.0477 1.0477 1.0503 1.0503 1.4203 1.4203 1.6269 1.6269 1.6814 1.6814 1.6957 1.6957 1.7333 1.7333 1.7870 1.7870 5.7078 5.7078 5.7695 5.7695 5.8320 5.8320 8.5451 8.5451 8.5818 8.5818 9.4154 9.4293 k = 0.4737 0.2735 0.2901 ( 22986 PWs) bands (ev): -15.5640 -15.5640 -15.5637 -15.5637 -11.3056 -11.3056 -10.9230 -10.9230 -10.8948 -10.8948 -10.8812 -10.8812 -10.7866 -10.7866 -10.7731 -10.7731 -4.3741 -4.3741 -4.3633 -4.3633 -3.0504 -3.0504 -3.0082 -3.0082 -2.9130 -2.9130 -2.9059 -2.9059 -0.6842 -0.6842 -0.3739 -0.3739 -0.3350 -0.3350 -0.1388 -0.1388 -0.0167 -0.0167 0.0551 0.0551 0.0963 0.0963 0.5487 0.5487 0.5882 0.5882 1.0382 1.0382 1.0496 1.0496 1.0539 1.0539 1.4125 1.4125 1.6258 1.6258 1.6723 1.6723 1.6945 1.6945 1.7302 1.7302 1.7806 1.7806 5.7107 5.7107 5.7715 5.7715 5.8351 5.8351 8.5218 8.5218 8.5847 8.5847 9.4381 9.4499 k = 0.4671 0.2697 0.3116 ( 22974 PWs) bands (ev): -15.5639 -15.5639 -15.5636 -15.5636 -11.3051 -11.3051 -10.9275 -10.9275 -10.8944 -10.8944 -10.8765 -10.8765 -10.7876 -10.7876 -10.7740 -10.7740 -4.3728 -4.3728 -4.3623 -4.3623 -3.0464 -3.0464 -3.0055 -3.0055 -2.9133 -2.9133 -2.9049 -2.9049 -0.6770 -0.6770 -0.3899 -0.3899 -0.3331 -0.3331 -0.1411 -0.1411 0.0021 0.0021 0.0479 0.0479 0.0930 0.0930 0.5430 0.5430 0.5824 0.5824 1.0452 1.0452 1.0519 1.0519 1.0611 1.0611 1.4030 1.4030 1.6238 1.6238 1.6606 1.6606 1.6925 1.6925 1.7264 1.7264 1.7738 1.7738 5.7136 5.7136 5.7740 5.7740 5.8395 5.8395 8.4936 8.4936 8.5886 8.5886 9.4629 9.4629 k = 0.4605 0.2659 0.3330 ( 22981 PWs) bands (ev): -15.5639 -15.5639 -15.5636 -15.5636 -11.3045 -11.3045 -10.9318 -10.9318 -10.8940 -10.8940 -10.8719 -10.8719 -10.7888 -10.7888 -10.7751 -10.7751 -4.3713 -4.3713 -4.3611 -4.3611 -3.0416 -3.0416 -3.0023 -3.0023 -2.9135 -2.9135 -2.9038 -2.9038 -0.6686 -0.6686 -0.4067 -0.4067 -0.3309 -0.3309 -0.1438 -0.1438 0.0168 0.0168 0.0441 0.0441 0.0905 0.0905 0.5360 0.5360 0.5756 0.5756 1.0500 1.0500 1.0552 1.0552 1.0727 1.0727 1.3920 1.3920 1.6207 1.6207 1.6460 1.6460 1.6890 1.6890 1.7226 1.7226 1.7673 1.7673 5.7161 5.7161 5.7775 5.7775 5.8452 5.8452 8.4617 8.4617 8.5934 8.5934 9.4882 9.4883 k = 0.4539 0.2621 0.3545 ( 22980 PWs) bands (ev): -15.5638 -15.5638 -15.5635 -15.5635 -11.3038 -11.3038 -10.9361 -10.9361 -10.8935 -10.8935 -10.8673 -10.8673 -10.7903 -10.7903 -10.7764 -10.7764 -4.3696 -4.3696 -4.3597 -4.3597 -3.0362 -3.0362 -2.9987 -2.9987 -2.9137 -2.9137 -2.9026 -2.9026 -0.6591 -0.6591 -0.4237 -0.4237 -0.3282 -0.3282 -0.1471 -0.1471 0.0133 0.0133 0.0572 0.0572 0.0892 0.0892 0.5275 0.5275 0.5681 0.5681 1.0533 1.0533 1.0595 1.0595 1.0876 1.0876 1.3797 1.3797 1.6162 1.6162 1.6284 1.6284 1.6835 1.6835 1.7192 1.7192 1.7619 1.7619 5.7176 5.7176 5.7821 5.7821 5.8521 5.8521 8.4272 8.4272 8.5990 8.5990 9.5135 9.5135 k = 0.4474 0.2583 0.3760 ( 22968 PWs) bands (ev): -15.5638 -15.5638 -15.5634 -15.5634 -11.3030 -11.3030 -10.9401 -10.9401 -10.8929 -10.8929 -10.8627 -10.8627 -10.7920 -10.7920 -10.7777 -10.7777 -4.3677 -4.3677 -4.3582 -4.3582 -3.0303 -3.0303 -2.9948 -2.9948 -2.9138 -2.9138 -2.9013 -2.9013 -0.6490 -0.6490 -0.4401 -0.4401 -0.3252 -0.3252 -0.1510 -0.1510 0.0003 0.0003 0.0765 0.0765 0.0910 0.0910 0.5177 0.5177 0.5600 0.5600 1.0564 1.0564 1.0647 1.0647 1.1046 1.1046 1.3664 1.3664 1.6068 1.6068 1.6114 1.6114 1.6760 1.6760 1.7160 1.7160 1.7583 1.7583 5.7176 5.7176 5.7882 5.7882 5.8601 5.8601 8.3908 8.3908 8.6055 8.6055 9.5381 9.5381 k = 0.4408 0.2545 0.3975 ( 22982 PWs) bands (ev): -15.5638 -15.5638 -15.5633 -15.5633 -11.3023 -11.3023 -10.9440 -10.9440 -10.8922 -10.8922 -10.8583 -10.8583 -10.7940 -10.7940 -10.7791 -10.7791 -4.3658 -4.3658 -4.3566 -4.3566 -3.0240 -3.0240 -2.9906 -2.9906 -2.9138 -2.9138 -2.8999 -2.8999 -0.6387 -0.6387 -0.4554 -0.4554 -0.3218 -0.3218 -0.1555 -0.1555 -0.0149 -0.0149 0.0832 0.0832 0.1077 0.1077 0.5066 0.5066 0.5514 0.5514 1.0594 1.0594 1.0705 1.0705 1.1230 1.1230 1.3524 1.3524 1.5840 1.5840 1.6039 1.6039 1.6670 1.6670 1.7122 1.7122 1.7571 1.7571 5.7161 5.7161 5.7956 5.7956 5.8691 5.8691 8.3534 8.3534 8.6127 8.6127 9.5616 9.5616 k = 0.4342 0.2507 0.4190 ( 22982 PWs) bands (ev): -15.5638 -15.5638 -15.5631 -15.5631 -11.3014 -11.3014 -10.9476 -10.9476 -10.8914 -10.8914 -10.8541 -10.8541 -10.7962 -10.7962 -10.7805 -10.7805 -4.3638 -4.3638 -4.3548 -4.3548 -3.0175 -3.0175 -2.9863 -2.9863 -2.9136 -2.9136 -2.8984 -2.8984 -0.6289 -0.6289 -0.4689 -0.4689 -0.3181 -0.3181 -0.1611 -0.1611 -0.0302 -0.0302 0.0835 0.0835 0.1315 0.1315 0.4945 0.4945 0.5423 0.5423 1.0627 1.0627 1.0769 1.0769 1.1425 1.1425 1.3381 1.3381 1.5584 1.5584 1.5958 1.5958 1.6572 1.6572 1.7071 1.7071 1.7585 1.7585 5.7130 5.7130 5.8044 5.8044 5.8787 5.8787 8.3158 8.3158 8.6208 8.6208 9.5840 9.5840 k = 0.4276 0.2469 0.4405 ( 22984 PWs) bands (ev): -15.5639 -15.5639 -15.5629 -15.5629 -11.3006 -11.3006 -10.9510 -10.9510 -10.8905 -10.8905 -10.8500 -10.8500 -10.7985 -10.7985 -10.7820 -10.7820 -4.3618 -4.3618 -4.3530 -4.3530 -3.0110 -3.0110 -2.9819 -2.9819 -2.9133 -2.9133 -2.8969 -2.8969 -0.6206 -0.6206 -0.4795 -0.4795 -0.3140 -0.3140 -0.1679 -0.1679 -0.0446 -0.0446 0.0833 0.0833 0.1558 0.1558 0.4817 0.4817 0.5327 0.5327 1.0660 1.0660 1.0838 1.0838 1.1625 1.1625 1.3238 1.3238 1.5312 1.5312 1.5869 1.5869 1.6469 1.6469 1.7008 1.7008 1.7620 1.7620 5.7087 5.7087 5.8140 5.8140 5.8887 5.8887 8.2785 8.2785 8.6296 8.6296 9.6050 9.6050 k = 0.4211 0.2431 0.4620 ( 22990 PWs) bands (ev): -15.5639 -15.5639 -15.5627 -15.5627 -11.2998 -11.2998 -10.9541 -10.9541 -10.8896 -10.8896 -10.8460 -10.8460 -10.8010 -10.8010 -10.7835 -10.7835 -4.3600 -4.3600 -4.3512 -4.3512 -3.0047 -3.0047 -2.9774 -2.9774 -2.9129 -2.9129 -2.8952 -2.8952 -0.6149 -0.6149 -0.4864 -0.4864 -0.3096 -0.3096 -0.1763 -0.1763 -0.0570 -0.0570 0.0831 0.0831 0.1797 0.1797 0.4686 0.4686 0.5227 0.5227 1.0694 1.0694 1.0912 1.0912 1.1825 1.1825 1.3098 1.3098 1.5033 1.5033 1.5772 1.5772 1.6363 1.6363 1.6938 1.6938 1.7670 1.7670 5.7034 5.7034 5.8241 5.8241 5.8990 5.8990 8.2420 8.2420 8.6391 8.6391 9.6246 9.6246 k = 0.4145 0.2393 0.4835 ( 22992 PWs) bands (ev): -15.5640 -15.5640 -15.5625 -15.5625 -11.2990 -11.2990 -10.9568 -10.9568 -10.8886 -10.8886 -10.8423 -10.8423 -10.8036 -10.8036 -10.7850 -10.7850 -4.3582 -4.3582 -4.3493 -4.3493 -2.9989 -2.9989 -2.9729 -2.9729 -2.9123 -2.9123 -2.8935 -2.8935 -0.6128 -0.6128 -0.4887 -0.4887 -0.3050 -0.3050 -0.1865 -0.1865 -0.0665 -0.0665 0.0830 0.0830 0.2025 0.2025 0.4557 0.4557 0.5123 0.5123 1.0726 1.0726 1.0991 1.0991 1.2018 1.2018 1.2966 1.2966 1.4756 1.4756 1.5670 1.5670 1.6257 1.6257 1.6865 1.6865 1.7731 1.7731 5.6974 5.6974 5.8345 5.8345 5.9092 5.9092 8.2068 8.2068 8.6493 8.6493 9.6420 9.6420 k = 0.4079 0.2355 0.5049 ( 22978 PWs) bands (ev): -15.5641 -15.5641 -15.5623 -15.5623 -11.2983 -11.2983 -10.9592 -10.9592 -10.8875 -10.8875 -10.8389 -10.8389 -10.8061 -10.8061 -10.7866 -10.7866 -4.3567 -4.3567 -4.3474 -4.3474 -2.9940 -2.9940 -2.9683 -2.9683 -2.9115 -2.9115 -2.8917 -2.8917 -0.6145 -0.6145 -0.4865 -0.4865 -0.3002 -0.3002 -0.1983 -0.1983 -0.0726 -0.0726 0.0830 0.0830 0.2237 0.2237 0.4436 0.4436 0.5016 0.5016 1.0755 1.0755 1.1072 1.1072 1.2190 1.2190 1.2848 1.2848 1.4497 1.4497 1.5565 1.5565 1.6151 1.6151 1.6791 1.6791 1.7799 1.7799 5.6907 5.6907 5.8449 5.8449 5.9191 5.9191 8.1734 8.1734 8.6600 8.6600 9.6566 9.6566 k = 0.4013 0.2317 0.5264 ( 22972 PWs) bands (ev): -15.5642 -15.5642 -15.5620 -15.5620 -11.2977 -11.2977 -10.9612 -10.9612 -10.8863 -10.8863 -10.8358 -10.8358 -10.8085 -10.8085 -10.7882 -10.7882 -4.3555 -4.3555 -4.3456 -4.3456 -2.9903 -2.9903 -2.9634 -2.9634 -2.9107 -2.9107 -2.8899 -2.8899 -0.6193 -0.6193 -0.4808 -0.4808 -0.2954 -0.2954 -0.2112 -0.2112 -0.0753 -0.0753 0.0832 0.0832 0.2426 0.2426 0.4329 0.4329 0.4905 0.4905 1.0778 1.0778 1.1156 1.1156 1.2322 1.2322 1.2752 1.2752 1.4274 1.4274 1.5458 1.5458 1.6046 1.6046 1.6719 1.6719 1.7871 1.7871 5.6836 5.6836 5.8549 5.8549 5.9287 5.9287 8.1421 8.1421 8.6713 8.6713 9.6677 9.6677 k = 0.3947 0.2279 0.5479 ( 22980 PWs) bands (ev): -15.5644 -15.5644 -15.5617 -15.5617 -11.2972 -11.2972 -10.9628 -10.9628 -10.8850 -10.8850 -10.8332 -10.8332 -10.8107 -10.8107 -10.7898 -10.7898 -4.3546 -4.3546 -4.3438 -4.3438 -2.9879 -2.9879 -2.9584 -2.9584 -2.9097 -2.9097 -2.8882 -2.8882 -0.6262 -0.6262 -0.4730 -0.4730 -0.2909 -0.2909 -0.2242 -0.2242 -0.0746 -0.0746 0.0835 0.0835 0.2583 0.2583 0.4244 0.4244 0.4792 0.4792 1.0794 1.0794 1.1240 1.1240 1.2383 1.2383 1.2688 1.2688 1.4115 1.4115 1.5352 1.5352 1.5943 1.5943 1.6653 1.6653 1.7946 1.7946 5.6762 5.6762 5.8644 5.8644 5.9376 5.9376 8.1132 8.1132 8.6831 8.6831 9.6746 9.6746 k = 0.3882 0.2241 0.5694 ( 22983 PWs) bands (ev): -15.5646 -15.5646 -15.5615 -15.5615 -11.2969 -11.2969 -10.9641 -10.9641 -10.8837 -10.8837 -10.8312 -10.8312 -10.8125 -10.8125 -10.7914 -10.7914 -4.3540 -4.3540 -4.3420 -4.3420 -2.9869 -2.9869 -2.9534 -2.9534 -2.9088 -2.9088 -2.8867 -2.8867 -0.6341 -0.6341 -0.4643 -0.4643 -0.2874 -0.2874 -0.2360 -0.2360 -0.0709 -0.0709 0.0840 0.0840 0.2700 0.2700 0.4192 0.4192 0.4679 0.4679 1.0801 1.0801 1.1321 1.1321 1.2364 1.2364 1.2648 1.2648 1.4047 1.4047 1.5249 1.5249 1.5843 1.5843 1.6594 1.6594 1.8023 1.8023 5.6685 5.6685 5.8732 5.8732 5.9457 5.9457 8.0869 8.0869 8.6952 8.6952 9.6771 9.6771 k = 0.3816 0.2203 0.5909 ( 22986 PWs) bands (ev): -15.5649 -15.5649 -15.5611 -15.5611 -11.2967 -11.2967 -10.9649 -10.9649 -10.8823 -10.8823 -10.8300 -10.8300 -10.8135 -10.8135 -10.7930 -10.7930 -4.3539 -4.3539 -4.3404 -4.3404 -2.9872 -2.9872 -2.9485 -2.9485 -2.9078 -2.9078 -2.8854 -2.8854 -0.6423 -0.6423 -0.4558 -0.4558 -0.2861 -0.2861 -0.2447 -0.2447 -0.0646 -0.0646 0.0847 0.0847 0.2769 0.2769 0.4176 0.4176 0.4569 0.4569 1.0798 1.0798 1.1397 1.1397 1.2296 1.2296 1.2601 1.2601 1.4075 1.4075 1.5153 1.5153 1.5748 1.5748 1.6545 1.6545 1.8101 1.8101 5.6608 5.6608 5.8812 5.8812 5.9529 5.9529 8.0635 8.0635 8.7075 8.7075 9.6746 9.6746 k = 0.3750 0.2165 0.6124 ( 22966 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9653 -10.9653 -10.8808 -10.8808 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3541 -4.3541 -4.3389 -4.3389 -2.9886 -2.9886 -2.9439 -2.9439 -2.9070 -2.9070 -2.8847 -2.8847 -0.6504 -0.6504 -0.4480 -0.4480 -0.2887 -0.2887 -0.2481 -0.2481 -0.0559 -0.0559 0.0855 0.0855 0.2792 0.2792 0.4186 0.4186 0.4472 0.4472 1.0787 1.0787 1.1459 1.1459 1.2204 1.2204 1.2552 1.2552 1.4177 1.4177 1.5065 1.5065 1.5659 1.5659 1.6506 1.6506 1.8179 1.8179 5.6531 5.6531 5.8881 5.8881 5.9590 5.9590 8.0432 8.0432 8.7201 8.7201 9.6669 9.6669 k = 0.6250-0.0722 0.4082 ( 22966 PWs) bands (ev): -15.5651 -15.5651 -15.5608 -15.5608 -11.2966 -11.2966 -10.9653 -10.9653 -10.8808 -10.8808 -10.8297 -10.8297 -10.8138 -10.8138 -10.7946 -10.7946 -4.3541 -4.3541 -4.3389 -4.3389 -2.9886 -2.9886 -2.9439 -2.9439 -2.9070 -2.9070 -2.8847 -2.8847 -0.6504 -0.6504 -0.4480 -0.4480 -0.2887 -0.2887 -0.2481 -0.2481 -0.0559 -0.0559 0.0855 0.0855 0.2792 0.2792 0.4186 0.4186 0.4472 0.4472 1.0787 1.0787 1.1459 1.1459 1.2204 1.2204 1.2552 1.2552 1.4177 1.4177 1.5065 1.5065 1.5659 1.5659 1.6506 1.6506 1.8179 1.8179 5.6531 5.6531 5.8881 5.8881 5.9590 5.9590 8.0432 8.0432 8.7201 8.7201 9.6669 9.6669 k = 0.6136-0.0919 0.4082 ( 22980 PWs) bands (ev): -15.5656 -15.5656 -15.5603 -15.5603 -11.2968 -11.2968 -10.9655 -10.9655 -10.8781 -10.8781 -10.8301 -10.8301 -10.8135 -10.8135 -10.7974 -10.7974 -4.3551 -4.3551 -4.3367 -4.3367 -2.9920 -2.9920 -2.9368 -2.9368 -2.9058 -2.9058 -2.8840 -2.8840 -0.6640 -0.6640 -0.4357 -0.4357 -0.3011 -0.3011 -0.2437 -0.2437 -0.0390 -0.0390 0.0872 0.0872 0.2793 0.2793 0.4128 0.4128 0.4407 0.4407 1.0764 1.0764 1.1540 1.1540 1.2036 1.2036 1.2492 1.2492 1.4401 1.4401 1.4928 1.4928 1.5518 1.5518 1.6451 1.6451 1.8311 1.8311 5.6398 5.6398 5.8988 5.8988 5.9684 5.9684 8.0116 8.0116 8.7419 8.7419 9.6474 9.6474 k = 0.6023-0.1115 0.4082 ( 23002 PWs) bands (ev): -15.5661 -15.5661 -15.5598 -15.5598 -11.2970 -11.2970 -10.9654 -10.9654 -10.8752 -10.8752 -10.8307 -10.8307 -10.8133 -10.8133 -10.8003 -10.8003 -4.3561 -4.3561 -4.3346 -4.3346 -2.9955 -2.9955 -2.9302 -2.9302 -2.9047 -2.9047 -2.8837 -2.8837 -0.6770 -0.6770 -0.4240 -0.4240 -0.3170 -0.3170 -0.2336 -0.2336 -0.0220 -0.0220 0.0892 0.0892 0.2789 0.2789 0.3955 0.3955 0.4455 0.4455 1.0745 1.0745 1.1568 1.1568 1.1913 1.1913 1.2447 1.2447 1.4619 1.4619 1.4803 1.4803 1.5386 1.5386 1.6405 1.6405 1.8439 1.8439 5.6267 5.6267 5.9087 5.9087 5.9773 5.9773 7.9821 7.9821 8.7634 8.7634 9.6257 9.6257 k = 0.5909-0.1312 0.4082 ( 22980 PWs) bands (ev): -15.5665 -15.5665 -15.5593 -15.5593 -11.2974 -11.2974 -10.9650 -10.9650 -10.8722 -10.8722 -10.8313 -10.8313 -10.8132 -10.8132 -10.8030 -10.8030 -4.3571 -4.3571 -4.3329 -4.3329 -2.9990 -2.9990 -2.9245 -2.9245 -2.9037 -2.9037 -2.8835 -2.8835 -0.6891 -0.6891 -0.4132 -0.4132 -0.3327 -0.3327 -0.2216 -0.2216 -0.0055 -0.0055 0.0915 0.0915 0.2780 0.2780 0.3758 0.3758 0.4524 0.4524 1.0731 1.0731 1.1481 1.1481 1.1904 1.1904 1.2412 1.2412 1.4655 1.4655 1.4857 1.4857 1.5265 1.5265 1.6368 1.6368 1.8560 1.8560 5.6140 5.6140 5.9178 5.9178 5.9855 5.9855 7.9549 7.9549 8.7844 8.7844 9.6021 9.6021 k = 0.5795-0.1509 0.4082 ( 22994 PWs) bands (ev): -15.5669 -15.5669 -15.5589 -15.5589 -11.2978 -11.2978 -10.9645 -10.9645 -10.8690 -10.8690 -10.8320 -10.8320 -10.8135 -10.8135 -10.8055 -10.8055 -4.3581 -4.3581 -4.3314 -4.3314 -3.0023 -3.0023 -2.9196 -2.9196 -2.9025 -2.9025 -2.8835 -2.8835 -0.7002 -0.7002 -0.4033 -0.4033 -0.3470 -0.3470 -0.2091 -0.2091 0.0100 0.0100 0.0943 0.0943 0.2768 0.2768 0.3562 0.3562 0.4594 0.4594 1.0721 1.0721 1.1332 1.1332 1.1963 1.1963 1.2384 1.2384 1.4545 1.4545 1.5042 1.5042 1.5161 1.5161 1.6343 1.6343 1.8670 1.8670 5.6020 5.6020 5.9260 5.9260 5.9931 5.9931 7.9302 7.9302 8.8043 8.8043 9.5774 9.5774 k = 0.5682-0.1706 0.4082 ( 22986 PWs) bands (ev): -15.5672 -15.5672 -15.5586 -15.5586 -11.2982 -11.2982 -10.9639 -10.9639 -10.8658 -10.8658 -10.8328 -10.8328 -10.8143 -10.8143 -10.8074 -10.8074 -4.3590 -4.3590 -4.3301 -4.3301 -3.0053 -3.0053 -2.9159 -2.9159 -2.9011 -2.9011 -2.8837 -2.8837 -0.7101 -0.7101 -0.3949 -0.3949 -0.3592 -0.3592 -0.1967 -0.1967 0.0239 0.0239 0.0977 0.0977 0.2751 0.2751 0.3377 0.3377 0.4658 0.4658 1.0714 1.0714 1.1175 1.1175 1.2037 1.2037 1.2361 1.2361 1.4440 1.4440 1.5046 1.5046 1.5228 1.5228 1.6332 1.6332 1.8770 1.8770 5.5910 5.5910 5.9332 5.9332 5.9999 5.9999 7.9082 7.9082 8.8227 8.8227 9.5526 9.5526 k = 0.5568-0.1903 0.4082 ( 22980 PWs) bands (ev): -15.5675 -15.5675 -15.5583 -15.5583 -11.2986 -11.2986 -10.9632 -10.9632 -10.8625 -10.8625 -10.8337 -10.8337 -10.8159 -10.8159 -10.8085 -10.8085 -4.3598 -4.3598 -4.3291 -4.3291 -3.0080 -3.0080 -2.9132 -2.9132 -2.8994 -2.8994 -2.8839 -2.8839 -0.7188 -0.7188 -0.3886 -0.3886 -0.3686 -0.3686 -0.1848 -0.1848 0.0356 0.0356 0.1015 0.1015 0.2732 0.2732 0.3209 0.3209 0.4716 0.4716 1.0710 1.0710 1.1031 1.1031 1.2108 1.2108 1.2343 1.2343 1.4347 1.4347 1.4964 1.4964 1.5363 1.5363 1.6338 1.6338 1.8856 1.8856 5.5812 5.5812 5.9394 5.9394 6.0058 6.0058 7.8893 7.8893 8.8392 8.8392 9.5289 9.5289 k = 0.5455-0.2099 0.4082 ( 22988 PWs) bands (ev): -15.5677 -15.5677 -15.5581 -15.5581 -11.2990 -11.2990 -10.9626 -10.9626 -10.8593 -10.8593 -10.8348 -10.8348 -10.8180 -10.8180 -10.8089 -10.8089 -4.3605 -4.3605 -4.3283 -4.3283 -3.0103 -3.0103 -2.9115 -2.9115 -2.8975 -2.8975 -2.8841 -2.8841 -0.7260 -0.7260 -0.3872 -0.3872 -0.3724 -0.3724 -0.1741 -0.1741 0.0449 0.0449 0.1058 0.1058 0.2708 0.2708 0.3066 0.3066 0.4764 0.4764 1.0707 1.0707 1.0907 1.0907 1.2170 1.2170 1.2329 1.2329 1.4268 1.4268 1.4894 1.4894 1.5466 1.5466 1.6357 1.6357 1.8928 1.8928 5.5729 5.5729 5.9445 5.9445 6.0108 6.0108 7.8735 7.8735 8.8534 8.8534 9.5075 9.5075 k = 0.5341-0.2296 0.4082 ( 22962 PWs) bands (ev): -15.5679 -15.5679 -15.5579 -15.5579 -11.2993 -11.2993 -10.9620 -10.9620 -10.8562 -10.8562 -10.8360 -10.8360 -10.8200 -10.8200 -10.8091 -10.8091 -4.3611 -4.3611 -4.3277 -4.3277 -3.0121 -3.0121 -2.9106 -2.9106 -2.8957 -2.8957 -2.8843 -2.8843 -0.7317 -0.7317 -0.3911 -0.3911 -0.3704 -0.3704 -0.1650 -0.1650 0.0518 0.0518 0.1100 0.1100 0.2678 0.2678 0.2957 0.2957 0.4802 0.4802 1.0706 1.0706 1.0806 1.0806 1.2220 1.2220 1.2320 1.2320 1.4204 1.4204 1.4838 1.4838 1.5538 1.5538 1.6385 1.6385 1.8986 1.8986 5.5662 5.5662 5.9485 5.9485 6.0148 6.0148 7.8611 7.8611 8.8648 8.8648 9.4896 9.4896 k = 0.5227-0.2493 0.4082 ( 22974 PWs) bands (ev): -15.5680 -15.5680 -15.5578 -15.5578 -11.2996 -11.2996 -10.9616 -10.9616 -10.8534 -10.8534 -10.8373 -10.8373 -10.8217 -10.8217 -10.8091 -10.8091 -4.3615 -4.3615 -4.3273 -4.3273 -3.0134 -3.0134 -2.9100 -2.9100 -2.8942 -2.8942 -2.8846 -2.8846 -0.7359 -0.7359 -0.3952 -0.3952 -0.3675 -0.3675 -0.1580 -0.1580 0.0563 0.0563 0.1137 0.1137 0.2645 0.2645 0.2885 0.2885 0.4830 0.4830 1.0706 1.0706 1.0732 1.0732 1.2254 1.2254 1.2316 1.2316 1.4157 1.4157 1.4797 1.4797 1.5582 1.5582 1.6414 1.6414 1.9027 1.9027 5.5613 5.5613 5.9514 5.9514 6.0176 6.0176 7.8522 7.8522 8.8732 8.8732 9.4762 9.4762 k = 0.5114-0.2690 0.4082 ( 22984 PWs) bands (ev): -15.5681 -15.5681 -15.5577 -15.5577 -11.2997 -11.2997 -10.9613 -10.9613 -10.8512 -10.8512 -10.8385 -10.8385 -10.8227 -10.8227 -10.8091 -10.8091 -4.3618 -4.3618 -4.3270 -4.3270 -3.0143 -3.0143 -2.9098 -2.9098 -2.8932 -2.8932 -2.8848 -2.8848 -0.7384 -0.7384 -0.3979 -0.3979 -0.3656 -0.3656 -0.1536 -0.1536 0.0589 0.0589 0.1162 0.1162 0.2616 0.2616 0.2848 0.2848 0.4847 0.4847 1.0686 1.0686 1.0707 1.0707 1.2271 1.2271 1.2319 1.2319 1.4129 1.4129 1.4772 1.4772 1.5605 1.5605 1.6436 1.6436 1.9052 1.9052 5.5583 5.5583 5.9532 5.9532 6.0194 6.0194 7.8467 7.8467 8.8783 8.8783 9.4679 9.4679 k = 0.5000-0.2887 0.4082 ( 22972 PWs) bands (ev): -15.5681 -15.5681 -15.5576 -15.5576 -11.2998 -11.2998 -10.9612 -10.9612 -10.8504 -10.8504 -10.8390 -10.8390 -10.8231 -10.8231 -10.8091 -10.8091 -4.3618 -4.3618 -4.3269 -4.3269 -3.0145 -3.0145 -2.9097 -2.9097 -2.8928 -2.8928 -2.8848 -2.8848 -0.7392 -0.7392 -0.3988 -0.3988 -0.3649 -0.3649 -0.1521 -0.1521 0.0597 0.0597 0.1171 0.1171 0.2605 0.2605 0.2837 0.2837 0.4853 0.4853 1.0671 1.0671 1.0707 1.0707 1.2275 1.2275 1.2321 1.2321 1.4119 1.4119 1.4764 1.4764 1.5612 1.5612 1.6443 1.6443 1.9061 1.9061 5.5573 5.5573 5.9537 5.9537 6.0200 6.0200 7.8449 7.8449 8.8801 8.8801 9.4650 9.4650 Writing output data file Cs2ZrCl6.save init_run : 0.54s CPU 0.71s WALL ( 1 calls) electrons : 836.24s CPU 842.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 836.22s CPU 842.28s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.25s CPU 0.28s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.24s WALL ( 210 calls) cegterg : 781.81s CPU 786.75s WALL ( 694 calls) Called by sum_band: Called by *egterg: h_psi : 506.82s CPU 511.57s WALL ( 12644 calls) s_psi : 26.15s CPU 26.28s WALL ( 12644 calls) g_psi : 0.76s CPU 0.80s WALL ( 11740 calls) cdiaghg : 196.59s CPU 196.83s WALL ( 11950 calls) cegterg:over : 31.74s CPU 31.98s WALL ( 11740 calls) cegterg:upda : 31.26s CPU 31.03s WALL ( 11740 calls) cegterg:last : 13.05s CPU 13.02s WALL ( 1223 calls) cdiaghg:chol : 9.08s CPU 8.75s WALL ( 11950 calls) cdiaghg:inve : 5.97s CPU 6.18s WALL ( 11950 calls) cdiaghg:para : 11.36s CPU 11.47s WALL ( 23900 calls) Called by h_psi: h_psi:vloc : 433.38s CPU 437.87s WALL ( 12644 calls) h_psi:vnl : 72.38s CPU 72.61s WALL ( 12644 calls) add_vuspsi : 39.68s CPU 39.86s WALL ( 12644 calls) General routines calbec : 32.64s CPU 32.71s WALL ( 12644 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 414.39s CPU 418.95s WALL ( 1061468 calls) davcio : 0.26s CPU 0.52s WALL ( 420 calls) Parallel routines fft_scatter : 193.63s CPU 195.36s WALL ( 1061483 calls) PWSCF : 14m56.71s CPU 15m21.75s WALL This run was terminated on: 8:16: 8 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=