Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:34:28 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./CsCu3O2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 60 16 2399 2347 346 Max 62 61 17 2404 2362 353 Sum 2209 2173 595 86435 84719 12565 bravais-lattice index = 14 lattice parameter (alat) = 9.9211 a.u. unit-cell volume = 876.6057 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.921061 celldm(2)= 1.000000 celldm(3)= 1.036571 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.036571 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.964719 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 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 ) ( 0 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) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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) = ( -1 -1 0 ) ( 0 1 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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -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 ) ( 0 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) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 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) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -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) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 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= 286 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0034965 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0034965 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0034965 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0034965 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0034965 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0034965 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034965 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0034965 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0034965 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0034965 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0034965 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0034965 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0034965 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034965 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0034965 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0034965 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0034965 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0034965 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0034965 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0034965 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034965 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0034965 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0034965 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0034965 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0034965 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0034965 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0034965 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034965 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0034965 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0034965 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0034965 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0034965 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0034965 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0034965 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034965 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034965 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0034965 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0034965 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0034965 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0034965 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034965 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0034965 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0034965 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0034965 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0034965 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034965 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0034965 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0034965 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0034965 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0034965 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034965 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0034965 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0034965 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0034965 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0034965 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034965 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034965 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0034965 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0034965 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0034965 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0034965 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0034965 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0034965 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0034965 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0034965 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0034965 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0034965 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0034965 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0034965 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0034965 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0034965 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0034965 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0034965 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0034965 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0034965 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0034965 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034965 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0034965 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0034965 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0034965 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0034965 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0034965 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0034965 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0034965 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0034965 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0034965 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0034965 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0034965 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0034965 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0034965 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0034965 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0034965 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0034965 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0034965 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0034965 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0034965 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 100) = ( 0.0000000 0.0000000 0.0166331), wk = 0.0034965 k( 101) = ( 0.0000000 0.0000000 0.0332662), wk = 0.0034965 k( 102) = ( 0.0000000 0.0000000 0.0498993), wk = 0.0034965 k( 103) = ( 0.0000000 0.0000000 0.0665323), wk = 0.0034965 k( 104) = ( 0.0000000 0.0000000 0.0831654), wk = 0.0034965 k( 105) = ( 0.0000000 0.0000000 0.0997985), wk = 0.0034965 k( 106) = ( 0.0000000 0.0000000 0.1164316), wk = 0.0034965 k( 107) = ( 0.0000000 0.0000000 0.1330647), wk = 0.0034965 k( 108) = ( 0.0000000 0.0000000 0.1496977), wk = 0.0034965 k( 109) = ( 0.0000000 0.0000000 0.1663308), wk = 0.0034965 k( 110) = ( 0.0000000 0.0000000 0.1829639), wk = 0.0034965 k( 111) = ( 0.0000000 0.0000000 0.1995970), wk = 0.0034965 k( 112) = ( 0.0000000 0.0000000 0.2162301), wk = 0.0034965 k( 113) = ( 0.0000000 0.0000000 0.2328632), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.2494963), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.2661293), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.2827624), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.2993955), wk = 0.0034965 k( 118) = ( 0.0000000 0.0000000 0.3160286), wk = 0.0034965 k( 119) = ( 0.0000000 0.0000000 0.3326617), wk = 0.0034965 k( 120) = ( 0.0000000 0.0000000 0.3492948), wk = 0.0034965 k( 121) = ( 0.0000000 0.0000000 0.3659278), wk = 0.0034965 k( 122) = ( 0.0000000 0.0000000 0.3825609), wk = 0.0034965 k( 123) = ( 0.0000000 0.0000000 0.3991940), wk = 0.0034965 k( 124) = ( 0.0000000 0.0000000 0.4158271), wk = 0.0034965 k( 125) = ( 0.0000000 0.0000000 0.4324602), wk = 0.0034965 k( 126) = ( 0.0000000 0.0000000 0.4490933), wk = 0.0034965 k( 127) = ( 0.0000000 0.0000000 0.4657263), wk = 0.0034965 k( 128) = ( 0.0000000 0.0000000 0.4823594), wk = 0.0034965 k( 129) = ( 0.0000000 0.0000000 0.4823594), wk = 0.0034965 k( 130) = ( 0.0142857 0.0082479 0.4823594), wk = 0.0034965 k( 131) = ( 0.0285714 0.0164957 0.4823594), wk = 0.0034965 k( 132) = ( 0.0428571 0.0247436 0.4823594), wk = 0.0034965 k( 133) = ( 0.0571429 0.0329914 0.4823594), wk = 0.0034965 k( 134) = ( 0.0714286 0.0412393 0.4823594), wk = 0.0034965 k( 135) = ( 0.0857143 0.0494872 0.4823594), wk = 0.0034965 k( 136) = ( 0.1000000 0.0577350 0.4823594), wk = 0.0034965 k( 137) = ( 0.1142857 0.0659829 0.4823594), wk = 0.0034965 k( 138) = ( 0.1285714 0.0742307 0.4823594), wk = 0.0034965 k( 139) = ( 0.1428571 0.0824786 0.4823594), wk = 0.0034965 k( 140) = ( 0.1571429 0.0907265 0.4823594), wk = 0.0034965 k( 141) = ( 0.1714286 0.0989743 0.4823594), wk = 0.0034965 k( 142) = ( 0.1857143 0.1072222 0.4823594), wk = 0.0034965 k( 143) = ( 0.2000000 0.1154701 0.4823594), wk = 0.0034965 k( 144) = ( 0.2142857 0.1237179 0.4823594), wk = 0.0034965 k( 145) = ( 0.2285714 0.1319658 0.4823594), wk = 0.0034965 k( 146) = ( 0.2428571 0.1402136 0.4823594), wk = 0.0034965 k( 147) = ( 0.2571429 0.1484615 0.4823594), wk = 0.0034965 k( 148) = ( 0.2714286 0.1567094 0.4823594), wk = 0.0034965 k( 149) = ( 0.2857143 0.1649572 0.4823594), wk = 0.0034965 k( 150) = ( 0.3000000 0.1732051 0.4823594), wk = 0.0034965 k( 151) = ( 0.3142857 0.1814529 0.4823594), wk = 0.0034965 k( 152) = ( 0.3285714 0.1897008 0.4823594), wk = 0.0034965 k( 153) = ( 0.3428571 0.1979487 0.4823594), wk = 0.0034965 k( 154) = ( 0.3571429 0.2061965 0.4823594), wk = 0.0034965 k( 155) = ( 0.3714286 0.2144444 0.4823594), wk = 0.0034965 k( 156) = ( 0.3857143 0.2226922 0.4823594), wk = 0.0034965 k( 157) = ( 0.4000000 0.2309401 0.4823594), wk = 0.0034965 k( 158) = ( 0.4142857 0.2391880 0.4823594), wk = 0.0034965 k( 159) = ( 0.4285714 0.2474358 0.4823594), wk = 0.0034965 k( 160) = ( 0.4428571 0.2556837 0.4823594), wk = 0.0034965 k( 161) = ( 0.4571429 0.2639316 0.4823594), wk = 0.0034965 k( 162) = ( 0.4714286 0.2721794 0.4823594), wk = 0.0034965 k( 163) = ( 0.4857143 0.2804273 0.4823594), wk = 0.0034965 k( 164) = ( 0.5000000 0.2886751 0.4823594), wk = 0.0034965 k( 165) = ( 0.5000000 0.2886751 0.4823594), wk = 0.0034965 k( 166) = ( 0.4916667 0.3031089 0.4823594), wk = 0.0034965 k( 167) = ( 0.4833333 0.3175426 0.4823594), wk = 0.0034965 k( 168) = ( 0.4750000 0.3319764 0.4823594), wk = 0.0034965 k( 169) = ( 0.4666667 0.3464102 0.4823594), wk = 0.0034965 k( 170) = ( 0.4583333 0.3608439 0.4823594), wk = 0.0034965 k( 171) = ( 0.4500000 0.3752777 0.4823594), wk = 0.0034965 k( 172) = ( 0.4416667 0.3897114 0.4823594), wk = 0.0034965 k( 173) = ( 0.4333333 0.4041452 0.4823594), wk = 0.0034965 k( 174) = ( 0.4250000 0.4185789 0.4823594), wk = 0.0034965 k( 175) = ( 0.4166667 0.4330127 0.4823594), wk = 0.0034965 k( 176) = ( 0.4083333 0.4474465 0.4823594), wk = 0.0034965 k( 177) = ( 0.4000000 0.4618802 0.4823594), wk = 0.0034965 k( 178) = ( 0.3916667 0.4763140 0.4823594), wk = 0.0034965 k( 179) = ( 0.3833333 0.4907477 0.4823594), wk = 0.0034965 k( 180) = ( 0.3750000 0.5051815 0.4823594), wk = 0.0034965 k( 181) = ( 0.3666667 0.5196152 0.4823594), wk = 0.0034965 k( 182) = ( 0.3583333 0.5340490 0.4823594), wk = 0.0034965 k( 183) = ( 0.3500000 0.5484828 0.4823594), wk = 0.0034965 k( 184) = ( 0.3416667 0.5629165 0.4823594), wk = 0.0034965 k( 185) = ( 0.3333333 0.5773503 0.4823594), wk = 0.0034965 k( 186) = ( 0.3333333 0.5773503 0.4823594), wk = 0.0034965 k( 187) = ( 0.3250000 0.5629165 0.4823594), wk = 0.0034965 k( 188) = ( 0.3166667 0.5484828 0.4823594), wk = 0.0034965 k( 189) = ( 0.3083333 0.5340490 0.4823594), wk = 0.0034965 k( 190) = ( 0.3000000 0.5196152 0.4823594), wk = 0.0034965 k( 191) = ( 0.2916667 0.5051815 0.4823594), wk = 0.0034965 k( 192) = ( 0.2833333 0.4907477 0.4823594), wk = 0.0034965 k( 193) = ( 0.2750000 0.4763140 0.4823594), wk = 0.0034965 k( 194) = ( 0.2666667 0.4618802 0.4823594), wk = 0.0034965 k( 195) = ( 0.2583333 0.4474465 0.4823594), wk = 0.0034965 k( 196) = ( 0.2500000 0.4330127 0.4823594), wk = 0.0034965 k( 197) = ( 0.2416667 0.4185790 0.4823594), wk = 0.0034965 k( 198) = ( 0.2333333 0.4041452 0.4823594), wk = 0.0034965 k( 199) = ( 0.2250000 0.3897114 0.4823594), wk = 0.0034965 k( 200) = ( 0.2166667 0.3752777 0.4823594), wk = 0.0034965 k( 201) = ( 0.2083333 0.3608439 0.4823594), wk = 0.0034965 k( 202) = ( 0.2000000 0.3464102 0.4823594), wk = 0.0034965 k( 203) = ( 0.1916667 0.3319764 0.4823594), wk = 0.0034965 k( 204) = ( 0.1833333 0.3175426 0.4823594), wk = 0.0034965 k( 205) = ( 0.1750000 0.3031089 0.4823594), wk = 0.0034965 k( 206) = ( 0.1666667 0.2886751 0.4823594), wk = 0.0034965 k( 207) = ( 0.1583333 0.2742414 0.4823594), wk = 0.0034965 k( 208) = ( 0.1500000 0.2598076 0.4823594), wk = 0.0034965 k( 209) = ( 0.1416667 0.2453739 0.4823594), wk = 0.0034965 k( 210) = ( 0.1333333 0.2309401 0.4823594), wk = 0.0034965 k( 211) = ( 0.1250000 0.2165064 0.4823594), wk = 0.0034965 k( 212) = ( 0.1166667 0.2020726 0.4823594), wk = 0.0034965 k( 213) = ( 0.1083333 0.1876388 0.4823594), wk = 0.0034965 k( 214) = ( 0.1000000 0.1732051 0.4823594), wk = 0.0034965 k( 215) = ( 0.0916667 0.1587713 0.4823594), wk = 0.0034965 k( 216) = ( 0.0833333 0.1443376 0.4823594), wk = 0.0034965 k( 217) = ( 0.0750000 0.1299038 0.4823594), wk = 0.0034965 k( 218) = ( 0.0666667 0.1154701 0.4823594), wk = 0.0034965 k( 219) = ( 0.0583333 0.1010363 0.4823594), wk = 0.0034965 k( 220) = ( 0.0500000 0.0866025 0.4823594), wk = 0.0034965 k( 221) = ( 0.0416667 0.0721688 0.4823594), wk = 0.0034965 k( 222) = ( 0.0333333 0.0577350 0.4823594), wk = 0.0034965 k( 223) = ( 0.0250000 0.0433013 0.4823594), wk = 0.0034965 k( 224) = ( 0.0166667 0.0288675 0.4823594), wk = 0.0034965 k( 225) = ( 0.0083333 0.0144338 0.4823594), wk = 0.0034965 k( 226) = ( 0.0000000 0.0000000 0.4823594), wk = 0.0034965 k( 227) = ( 0.5000000 0.2886751 0.4823594), wk = 0.0034965 k( 228) = ( 0.5000000 0.2886751 0.4657263), wk = 0.0034965 k( 229) = ( 0.5000000 0.2886751 0.4490933), wk = 0.0034965 k( 230) = ( 0.5000000 0.2886751 0.4324602), wk = 0.0034965 k( 231) = ( 0.5000000 0.2886751 0.4158271), wk = 0.0034965 k( 232) = ( 0.5000000 0.2886751 0.3991940), wk = 0.0034965 k( 233) = ( 0.5000000 0.2886751 0.3825609), wk = 0.0034965 k( 234) = ( 0.5000000 0.2886751 0.3659278), wk = 0.0034965 k( 235) = ( 0.5000000 0.2886751 0.3492948), wk = 0.0034965 k( 236) = ( 0.5000000 0.2886751 0.3326617), wk = 0.0034965 k( 237) = ( 0.5000000 0.2886751 0.3160286), wk = 0.0034965 k( 238) = ( 0.5000000 0.2886751 0.2993955), wk = 0.0034965 k( 239) = ( 0.5000000 0.2886751 0.2827624), wk = 0.0034965 k( 240) = ( 0.5000000 0.2886751 0.2661293), wk = 0.0034965 k( 241) = ( 0.5000000 0.2886751 0.2494963), wk = 0.0034965 k( 242) = ( 0.5000000 0.2886751 0.2328632), wk = 0.0034965 k( 243) = ( 0.5000000 0.2886751 0.2162301), wk = 0.0034965 k( 244) = ( 0.5000000 0.2886751 0.1995970), wk = 0.0034965 k( 245) = ( 0.5000000 0.2886751 0.1829639), wk = 0.0034965 k( 246) = ( 0.5000000 0.2886751 0.1663308), wk = 0.0034965 k( 247) = ( 0.5000000 0.2886751 0.1496977), wk = 0.0034965 k( 248) = ( 0.5000000 0.2886751 0.1330647), wk = 0.0034965 k( 249) = ( 0.5000000 0.2886751 0.1164316), wk = 0.0034965 k( 250) = ( 0.5000000 0.2886751 0.0997985), wk = 0.0034965 k( 251) = ( 0.5000000 0.2886751 0.0831654), wk = 0.0034965 k( 252) = ( 0.5000000 0.2886751 0.0665323), wk = 0.0034965 k( 253) = ( 0.5000000 0.2886751 0.0498993), wk = 0.0034965 k( 254) = ( 0.5000000 0.2886751 0.0332662), wk = 0.0034965 k( 255) = ( 0.5000000 0.2886751 0.0166331), wk = 0.0034965 k( 256) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034965 k( 257) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034965 k( 258) = ( 0.3333333 0.5773503 0.0166331), wk = 0.0034965 k( 259) = ( 0.3333333 0.5773503 0.0332662), wk = 0.0034965 k( 260) = ( 0.3333333 0.5773503 0.0498993), wk = 0.0034965 k( 261) = ( 0.3333333 0.5773503 0.0665323), wk = 0.0034965 k( 262) = ( 0.3333333 0.5773503 0.0831654), wk = 0.0034965 k( 263) = ( 0.3333333 0.5773503 0.0997985), wk = 0.0034965 k( 264) = ( 0.3333333 0.5773503 0.1164316), wk = 0.0034965 k( 265) = ( 0.3333333 0.5773503 0.1330647), wk = 0.0034965 k( 266) = ( 0.3333333 0.5773503 0.1496977), wk = 0.0034965 k( 267) = ( 0.3333333 0.5773503 0.1663308), wk = 0.0034965 k( 268) = ( 0.3333333 0.5773503 0.1829639), wk = 0.0034965 k( 269) = ( 0.3333333 0.5773503 0.1995970), wk = 0.0034965 k( 270) = ( 0.3333333 0.5773503 0.2162301), wk = 0.0034965 k( 271) = ( 0.3333333 0.5773503 0.2328632), wk = 0.0034965 k( 272) = ( 0.3333333 0.5773503 0.2494963), wk = 0.0034965 k( 273) = ( 0.3333333 0.5773503 0.2661293), wk = 0.0034965 k( 274) = ( 0.3333333 0.5773503 0.2827624), wk = 0.0034965 k( 275) = ( 0.3333333 0.5773503 0.2993955), wk = 0.0034965 k( 276) = ( 0.3333333 0.5773503 0.3160286), wk = 0.0034965 k( 277) = ( 0.3333333 0.5773503 0.3326617), wk = 0.0034965 k( 278) = ( 0.3333333 0.5773503 0.3492948), wk = 0.0034965 k( 279) = ( 0.3333333 0.5773503 0.3659278), wk = 0.0034965 k( 280) = ( 0.3333333 0.5773503 0.3825609), wk = 0.0034965 k( 281) = ( 0.3333333 0.5773503 0.3991940), wk = 0.0034965 k( 282) = ( 0.3333333 0.5773503 0.4158271), wk = 0.0034965 k( 283) = ( 0.3333333 0.5773503 0.4324602), wk = 0.0034965 k( 284) = ( 0.3333333 0.5773503 0.4490933), wk = 0.0034965 k( 285) = ( 0.3333333 0.5773503 0.4657263), wk = 0.0034965 k( 286) = ( 0.3333333 0.5773503 0.4823594), wk = 0.0034965 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 2) = ( 0.0142857 -0.0000000 -0.0000000), wk = 0.0034965 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0034965 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0034965 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0034965 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0034965 k( 7) = ( 0.0857143 -0.0000000 -0.0000000), wk = 0.0034965 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034965 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0034965 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0034965 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0034965 k( 12) = ( 0.1571429 -0.0000000 -0.0000000), wk = 0.0034965 k( 13) = ( 0.1714286 -0.0000000 0.0000000), wk = 0.0034965 k( 14) = ( 0.1857143 -0.0000000 0.0000000), wk = 0.0034965 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034965 k( 16) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0034965 k( 17) = ( 0.2285714 -0.0000000 0.0000000), wk = 0.0034965 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0034965 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0034965 k( 20) = ( 0.2714286 -0.0000000 -0.0000000), wk = 0.0034965 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0034965 k( 22) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0034965 k( 23) = ( 0.3142857 -0.0000000 -0.0000000), wk = 0.0034965 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0034965 k( 25) = ( 0.3428571 -0.0000000 0.0000000), wk = 0.0034965 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0034965 k( 27) = ( 0.3714286 -0.0000000 0.0000000), wk = 0.0034965 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0034965 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034965 k( 30) = ( 0.4142857 -0.0000000 -0.0000000), wk = 0.0034965 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0034965 k( 32) = ( 0.4428571 -0.0000000 0.0000000), wk = 0.0034965 k( 33) = ( 0.4571429 -0.0000000 0.0000000), wk = 0.0034965 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0034965 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0034965 k( 36) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034965 k( 37) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034965 k( 38) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0034965 k( 39) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0034965 k( 40) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0034965 k( 41) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0034965 k( 42) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0034965 k( 43) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0034965 k( 44) = ( 0.4416667 0.1166667 -0.0000000), wk = 0.0034965 k( 45) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0034965 k( 46) = ( 0.4250000 0.1500000 0.0000000), wk = 0.0034965 k( 47) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0034965 k( 48) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0034965 k( 49) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0034965 k( 50) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0034965 k( 51) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0034965 k( 52) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0034965 k( 53) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0034965 k( 54) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0034965 k( 55) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0034965 k( 56) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0034965 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034965 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034965 k( 59) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0034965 k( 60) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0034965 k( 61) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0034965 k( 62) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0034965 k( 63) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0034965 k( 64) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0034965 k( 65) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0034965 k( 66) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0034965 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0034965 k( 68) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034965 k( 69) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0034965 k( 70) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0034965 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0034965 k( 72) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0034965 k( 73) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0034965 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0034965 k( 75) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0034965 k( 76) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0034965 k( 77) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0034965 k( 78) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034965 k( 79) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0034965 k( 80) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0034965 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0034965 k( 82) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0034965 k( 83) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0034965 k( 84) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0034965 k( 85) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0034965 k( 86) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0034965 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0034965 k( 88) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034965 k( 89) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0034965 k( 90) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0034965 k( 91) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0034965 k( 92) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0034965 k( 93) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0034965 k( 94) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0034965 k( 95) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0034965 k( 96) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0034965 k( 97) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0034965 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034965 k( 100) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0034965 k( 101) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0034965 k( 102) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0034965 k( 103) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0034965 k( 104) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0034965 k( 105) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0034965 k( 106) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0034965 k( 107) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0034965 k( 108) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0034965 k( 109) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0034965 k( 110) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0034965 k( 111) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0034965 k( 112) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0034965 k( 113) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0034965 k( 114) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0034965 k( 115) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0034965 k( 116) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0034965 k( 117) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0034965 k( 118) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0034965 k( 119) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0034965 k( 120) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0034965 k( 121) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0034965 k( 122) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0034965 k( 123) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0034965 k( 124) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0034965 k( 125) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0034965 k( 126) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0034965 k( 127) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0034965 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 130) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0034965 k( 131) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0034965 k( 132) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0034965 k( 133) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0034965 k( 134) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0034965 k( 135) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0034965 k( 136) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0034965 k( 137) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0034965 k( 138) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0034965 k( 139) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0034965 k( 140) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0034965 k( 141) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0034965 k( 142) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0034965 k( 143) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0034965 k( 144) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0034965 k( 145) = ( 0.2285714 -0.0000000 0.5000000), wk = 0.0034965 k( 146) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0034965 k( 147) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0034965 k( 148) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0034965 k( 149) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0034965 k( 150) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0034965 k( 151) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0034965 k( 152) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0034965 k( 153) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0034965 k( 154) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0034965 k( 155) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0034965 k( 156) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0034965 k( 157) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0034965 k( 158) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0034965 k( 159) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0034965 k( 160) = ( 0.4428571 -0.0000000 0.5000000), wk = 0.0034965 k( 161) = ( 0.4571429 -0.0000000 0.5000000), wk = 0.0034965 k( 162) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0034965 k( 163) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0034965 k( 164) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034965 k( 165) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034965 k( 166) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0034965 k( 167) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0034965 k( 168) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0034965 k( 169) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0034965 k( 170) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034965 k( 171) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0034965 k( 172) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0034965 k( 173) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0034965 k( 174) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0034965 k( 175) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034965 k( 176) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0034965 k( 177) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0034965 k( 178) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0034965 k( 179) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0034965 k( 180) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034965 k( 181) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0034965 k( 182) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0034965 k( 183) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0034965 k( 184) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0034965 k( 185) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034965 k( 186) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034965 k( 187) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0034965 k( 188) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0034965 k( 189) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0034965 k( 190) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0034965 k( 191) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0034965 k( 192) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0034965 k( 193) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0034965 k( 194) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0034965 k( 195) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0034965 k( 196) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0034965 k( 197) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0034965 k( 198) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0034965 k( 199) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0034965 k( 200) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0034965 k( 201) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0034965 k( 202) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0034965 k( 203) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0034965 k( 204) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0034965 k( 205) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0034965 k( 206) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034965 k( 207) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0034965 k( 208) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0034965 k( 209) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0034965 k( 210) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0034965 k( 211) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0034965 k( 212) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0034965 k( 213) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0034965 k( 214) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0034965 k( 215) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0034965 k( 216) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0034965 k( 217) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0034965 k( 218) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0034965 k( 219) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0034965 k( 220) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0034965 k( 221) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0034965 k( 222) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0034965 k( 223) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0034965 k( 224) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0034965 k( 225) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0034965 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034965 k( 227) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034965 k( 228) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0034965 k( 229) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0034965 k( 230) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0034965 k( 231) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0034965 k( 232) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0034965 k( 233) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0034965 k( 234) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0034965 k( 235) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0034965 k( 236) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0034965 k( 237) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0034965 k( 238) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0034965 k( 239) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0034965 k( 240) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0034965 k( 241) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0034965 k( 242) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0034965 k( 243) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0034965 k( 244) = ( 0.5000000 -0.0000000 0.2068966), wk = 0.0034965 k( 245) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0034965 k( 246) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0034965 k( 247) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0034965 k( 248) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0034965 k( 249) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0034965 k( 250) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0034965 k( 251) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0034965 k( 252) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0034965 k( 253) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0034965 k( 254) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0034965 k( 255) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0034965 k( 256) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0034965 k( 257) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034965 k( 258) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0034965 k( 259) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0034965 k( 260) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0034965 k( 261) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0034965 k( 262) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0034965 k( 263) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0034965 k( 264) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0034965 k( 265) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0034965 k( 266) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0034965 k( 267) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0034965 k( 268) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0034965 k( 269) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0034965 k( 270) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0034965 k( 271) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0034965 k( 272) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0034965 k( 273) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0034965 k( 274) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0034965 k( 275) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0034965 k( 276) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0034965 k( 277) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0034965 k( 278) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0034965 k( 279) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0034965 k( 280) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0034965 k( 281) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0034965 k( 282) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0034965 k( 283) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0034965 k( 284) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0034965 k( 285) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0034965 k( 286) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034965 Dense grid: 86435 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 84719 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.59 Mb ( 606, 64) NL pseudopotentials 0.89 Mb ( 303, 192) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2401) G-vector shells 0.01 Mb ( 1044) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.37 Mb ( 606, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.38 Mb ( 192, 2, 64) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CsCu3O2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 6.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.9 secs Computing kpt #: 9 total cpu time spent up to now is 11.9 secs Computing kpt #: 10 total cpu time spent up to now is 12.9 secs Computing kpt #: 11 total cpu time spent up to now is 13.9 secs Computing kpt #: 12 total cpu time spent up to now is 15.0 secs Computing kpt #: 13 total cpu time spent up to now is 16.0 secs Computing kpt #: 14 total cpu time spent up to now is 17.0 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.2 secs Computing kpt #: 18 total cpu time spent up to now is 21.3 secs Computing kpt #: 19 total cpu time spent up to now is 22.3 secs Computing kpt #: 20 total cpu time spent up to now is 23.3 secs Computing kpt #: 21 total cpu time spent up to now is 24.4 secs Computing kpt #: 22 total cpu time spent up to now is 25.5 secs Computing kpt #: 23 total cpu time spent up to now is 26.5 secs Computing kpt #: 24 total cpu time spent up to now is 27.6 secs Computing kpt #: 25 total cpu time spent up to now is 28.7 secs Computing kpt #: 26 total cpu time spent up to now is 29.7 secs Computing kpt #: 27 total cpu time spent up to now is 30.8 secs Computing kpt #: 28 total cpu time spent up to now is 31.9 secs Computing kpt #: 29 total cpu time spent up to now is 33.0 secs Computing kpt #: 30 total cpu time spent up to now is 34.1 secs Computing kpt #: 31 total cpu time spent up to now is 35.2 secs Computing kpt #: 32 total cpu time spent up to now is 36.2 secs Computing kpt #: 33 total cpu time spent up to now is 37.3 secs Computing kpt #: 34 total cpu time spent up to now is 38.4 secs Computing kpt #: 35 total cpu time spent up to now is 39.5 secs Computing kpt #: 36 total cpu time spent up to now is 40.5 secs Computing kpt #: 37 total cpu time spent up to now is 41.5 secs Computing kpt #: 38 total cpu time spent up to now is 42.6 secs Computing kpt #: 39 total cpu time spent up to now is 43.8 secs Computing kpt #: 40 total cpu time spent up to now is 45.1 secs Computing kpt #: 41 total cpu time spent up to now is 46.3 secs Computing kpt #: 42 total cpu time spent up to now is 47.5 secs Computing kpt #: 43 total cpu time spent up to now is 48.8 secs Computing kpt #: 44 total cpu time spent up to now is 49.8 secs Computing kpt #: 45 total cpu time spent up to now is 50.9 secs Computing kpt #: 46 total cpu time spent up to now is 52.0 secs Computing kpt #: 47 total cpu time spent up to now is 53.0 secs Computing kpt #: 48 total cpu time spent up to now is 54.0 secs Computing kpt #: 49 total cpu time spent up to now is 55.1 secs Computing kpt #: 50 total cpu time spent up to now is 56.1 secs Computing kpt #: 51 total cpu time spent up to now is 57.1 secs Computing kpt #: 52 total cpu time spent up to now is 58.1 secs Computing kpt #: 53 total cpu time spent up to now is 59.1 secs Computing kpt #: 54 total cpu time spent up to now is 60.0 secs Computing kpt #: 55 total cpu time spent up to now is 61.0 secs Computing kpt #: 56 total cpu time spent up to now is 62.0 secs Computing kpt #: 57 total cpu time spent up to now is 62.9 secs Computing kpt #: 58 total cpu time spent up to now is 63.9 secs Computing kpt #: 59 total cpu time spent up to now is 64.8 secs Computing kpt #: 60 total cpu time spent up to now is 65.8 secs Computing kpt #: 61 total cpu time spent up to now is 66.8 secs Computing kpt #: 62 total cpu time spent up to now is 67.7 secs Computing kpt #: 63 total cpu time spent up to now is 68.7 secs Computing kpt #: 64 total cpu time spent up to now is 69.7 secs Computing kpt #: 65 total cpu time spent up to now is 70.7 secs Computing kpt #: 66 total cpu time spent up to now is 71.7 secs Computing kpt #: 67 total cpu time spent up to now is 72.7 secs Computing kpt #: 68 total cpu time spent up to now is 73.7 secs Computing kpt #: 69 total cpu time spent up to now is 74.7 secs Computing kpt #: 70 total cpu time spent up to now is 75.8 secs Computing kpt #: 71 total cpu time spent up to now is 76.8 secs Computing kpt #: 72 total cpu time spent up to now is 77.9 secs Computing kpt #: 73 total cpu time spent up to now is 78.9 secs Computing kpt #: 74 total cpu time spent up to now is 80.0 secs Computing kpt #: 75 total cpu time spent up to now is 81.0 secs Computing kpt #: 76 total cpu time spent up to now is 82.1 secs Computing kpt #: 77 total cpu time spent up to now is 83.2 secs Computing kpt #: 78 total cpu time spent up to now is 84.3 secs Computing kpt #: 79 total cpu time spent up to now is 85.4 secs Computing kpt #: 80 total cpu time spent up to now is 86.7 secs Computing kpt #: 81 total cpu time spent up to now is 87.9 secs Computing kpt #: 82 total cpu time spent up to now is 89.1 secs Computing kpt #: 83 total cpu time spent up to now is 90.4 secs Computing kpt #: 84 total cpu time spent up to now is 91.6 secs Computing kpt #: 85 total cpu time spent up to now is 92.8 secs Computing kpt #: 86 total cpu time spent up to now is 94.0 secs Computing kpt #: 87 total cpu time spent up to now is 95.1 secs Computing kpt #: 88 total cpu time spent up to now is 96.1 secs Computing kpt #: 89 total cpu time spent up to now is 97.2 secs Computing kpt #: 90 total cpu time spent up to now is 98.2 secs Computing kpt #: 91 total cpu time spent up to now is 99.2 secs Computing kpt #: 92 total cpu time spent up to now is 100.2 secs Computing kpt #: 93 total cpu time spent up to now is 101.2 secs Computing kpt #: 94 total cpu time spent up to now is 102.2 secs Computing kpt #: 95 total cpu time spent up to now is 103.1 secs Computing kpt #: 96 total cpu time spent up to now is 104.1 secs Computing kpt #: 97 total cpu time spent up to now is 105.0 secs Computing kpt #: 98 total cpu time spent up to now is 106.0 secs Computing kpt #: 99 total cpu time spent up to now is 106.9 secs Computing kpt #: 100 total cpu time spent up to now is 107.9 secs Computing kpt #: 101 total cpu time spent up to now is 108.8 secs Computing kpt #: 102 total cpu time spent up to now is 109.8 secs Computing kpt #: 103 total cpu time spent up to now is 110.7 secs Computing kpt #: 104 total cpu time spent up to now is 111.7 secs Computing kpt #: 105 total cpu time spent up to now is 112.7 secs Computing kpt #: 106 total cpu time spent up to now is 113.6 secs Computing kpt #: 107 total cpu time spent up to now is 114.6 secs Computing kpt #: 108 total cpu time spent up to now is 115.5 secs Computing kpt #: 109 total cpu time spent up to now is 116.5 secs Computing kpt #: 110 total cpu time spent up to now is 117.5 secs Computing kpt #: 111 total cpu time spent up to now is 118.4 secs Computing kpt #: 112 total cpu time spent up to now is 119.4 secs Computing kpt #: 113 total cpu time spent up to now is 120.4 secs Computing kpt #: 114 total cpu time spent up to now is 121.4 secs Computing kpt #: 115 total cpu time spent up to now is 122.4 secs Computing kpt #: 116 total cpu time spent up to now is 123.4 secs Computing kpt #: 117 total cpu time spent up to now is 124.5 secs Computing kpt #: 118 total cpu time spent up to now is 125.6 secs Computing kpt #: 119 total cpu time spent up to now is 126.8 secs Computing kpt #: 120 total cpu time spent up to now is 127.9 secs Computing kpt #: 121 total cpu time spent up to now is 128.9 secs Computing kpt #: 122 total cpu time spent up to now is 130.0 secs Computing kpt #: 123 total cpu time spent up to now is 131.2 secs Computing kpt #: 124 total cpu time spent up to now is 132.4 secs Computing kpt #: 125 total cpu time spent up to now is 133.7 secs Computing kpt #: 126 total cpu time spent up to now is 134.9 secs Computing kpt #: 127 total cpu time spent up to now is 136.2 secs Computing kpt #: 128 total cpu time spent up to now is 137.4 secs Computing kpt #: 129 total cpu time spent up to now is 138.6 secs Computing kpt #: 130 total cpu time spent up to now is 139.8 secs Computing kpt #: 131 total cpu time spent up to now is 141.0 secs Computing kpt #: 132 total cpu time spent up to now is 142.3 secs Computing kpt #: 133 total cpu time spent up to now is 143.5 secs Computing kpt #: 134 total cpu time spent up to now is 144.7 secs Computing kpt #: 135 total cpu time spent up to now is 146.0 secs Computing kpt #: 136 total cpu time spent up to now is 147.2 secs Computing kpt #: 137 total cpu time spent up to now is 148.4 secs Computing kpt #: 138 total cpu time spent up to now is 149.7 secs Computing kpt #: 139 total cpu time spent up to now is 150.9 secs Computing kpt #: 140 total cpu time spent up to now is 152.0 secs Computing kpt #: 141 total cpu time spent up to now is 153.3 secs Computing kpt #: 142 total cpu time spent up to now is 154.3 secs Computing kpt #: 143 total cpu time spent up to now is 155.4 secs Computing kpt #: 144 total cpu time spent up to now is 156.5 secs Computing kpt #: 145 total cpu time spent up to now is 157.6 secs Computing kpt #: 146 total cpu time spent up to now is 158.7 secs Computing kpt #: 147 total cpu time spent up to now is 159.8 secs Computing kpt #: 148 total cpu time spent up to now is 160.8 secs Computing kpt #: 149 total cpu time spent up to now is 161.9 secs Computing kpt #: 150 total cpu time spent up to now is 162.9 secs Computing kpt #: 151 total cpu time spent up to now is 163.9 secs Computing kpt #: 152 total cpu time spent up to now is 165.0 secs Computing kpt #: 153 total cpu time spent up to now is 166.0 secs Computing kpt #: 154 total cpu time spent up to now is 167.0 secs Computing kpt #: 155 total cpu time spent up to now is 168.0 secs Computing kpt #: 156 total cpu time spent up to now is 168.9 secs Computing kpt #: 157 total cpu time spent up to now is 169.9 secs Computing kpt #: 158 total cpu time spent up to now is 170.9 secs Computing kpt #: 159 total cpu time spent up to now is 171.8 secs Computing kpt #: 160 total cpu time spent up to now is 172.8 secs Computing kpt #: 161 total cpu time spent up to now is 173.7 secs Computing kpt #: 162 total cpu time spent up to now is 174.7 secs Computing kpt #: 163 total cpu time spent up to now is 175.6 secs Computing kpt #: 164 total cpu time spent up to now is 176.6 secs Computing kpt #: 165 total cpu time spent up to now is 177.5 secs Computing kpt #: 166 total cpu time spent up to now is 178.4 secs Computing kpt #: 167 total cpu time spent up to now is 179.4 secs Computing kpt #: 168 total cpu time spent up to now is 180.3 secs Computing kpt #: 169 total cpu time spent up to now is 181.3 secs Computing kpt #: 170 total cpu time spent up to now is 182.3 secs Computing kpt #: 171 total cpu time spent up to now is 183.3 secs Computing kpt #: 172 total cpu time spent up to now is 184.2 secs Computing kpt #: 173 total cpu time spent up to now is 185.2 secs Computing kpt #: 174 total cpu time spent up to now is 186.2 secs Computing kpt #: 175 total cpu time spent up to now is 187.1 secs Computing kpt #: 176 total cpu time spent up to now is 188.1 secs Computing kpt #: 177 total cpu time spent up to now is 189.0 secs Computing kpt #: 178 total cpu time spent up to now is 190.0 secs Computing kpt #: 179 total cpu time spent up to now is 190.9 secs Computing kpt #: 180 total cpu time spent up to now is 191.9 secs Computing kpt #: 181 total cpu time spent up to now is 192.8 secs Computing kpt #: 182 total cpu time spent up to now is 193.7 secs Computing kpt #: 183 total cpu time spent up to now is 194.7 secs Computing kpt #: 184 total cpu time spent up to now is 195.6 secs Computing kpt #: 185 total cpu time spent up to now is 196.5 secs Computing kpt #: 186 total cpu time spent up to now is 197.4 secs Computing kpt #: 187 total cpu time spent up to now is 198.3 secs Computing kpt #: 188 total cpu time spent up to now is 199.3 secs Computing kpt #: 189 total cpu time spent up to now is 200.2 secs Computing kpt #: 190 total cpu time spent up to now is 201.1 secs Computing kpt #: 191 total cpu time spent up to now is 202.0 secs Computing kpt #: 192 total cpu time spent up to now is 203.0 secs Computing kpt #: 193 total cpu time spent up to now is 203.9 secs Computing kpt #: 194 total cpu time spent up to now is 204.9 secs Computing kpt #: 195 total cpu time spent up to now is 205.9 secs Computing kpt #: 196 total cpu time spent up to now is 206.8 secs Computing kpt #: 197 total cpu time spent up to now is 207.8 secs Computing kpt #: 198 total cpu time spent up to now is 208.8 secs Computing kpt #: 199 total cpu time spent up to now is 209.8 secs Computing kpt #: 200 total cpu time spent up to now is 210.8 secs Computing kpt #: 201 total cpu time spent up to now is 211.8 secs Computing kpt #: 202 total cpu time spent up to now is 212.9 secs Computing kpt #: 203 total cpu time spent up to now is 213.9 secs Computing kpt #: 204 total cpu time spent up to now is 215.2 secs Computing kpt #: 205 total cpu time spent up to now is 216.4 secs Computing kpt #: 206 total cpu time spent up to now is 217.7 secs Computing kpt #: 207 total cpu time spent up to now is 218.9 secs Computing kpt #: 208 total cpu time spent up to now is 220.2 secs Computing kpt #: 209 total cpu time spent up to now is 221.4 secs Computing kpt #: 210 total cpu time spent up to now is 222.6 secs Computing kpt #: 211 total cpu time spent up to now is 223.8 secs Computing kpt #: 212 total cpu time spent up to now is 224.9 secs Computing kpt #: 213 total cpu time spent up to now is 226.0 secs Computing kpt #: 214 total cpu time spent up to now is 227.1 secs Computing kpt #: 215 total cpu time spent up to now is 228.2 secs Computing kpt #: 216 total cpu time spent up to now is 229.3 secs Computing kpt #: 217 total cpu time spent up to now is 230.5 secs Computing kpt #: 218 total cpu time spent up to now is 231.6 secs Computing kpt #: 219 total cpu time spent up to now is 232.9 secs Computing kpt #: 220 total cpu time spent up to now is 234.1 secs Computing kpt #: 221 total cpu time spent up to now is 235.3 secs Computing kpt #: 222 total cpu time spent up to now is 236.5 secs Computing kpt #: 223 total cpu time spent up to now is 237.7 secs Computing kpt #: 224 total cpu time spent up to now is 239.0 secs Computing kpt #: 225 total cpu time spent up to now is 240.2 secs Computing kpt #: 226 total cpu time spent up to now is 241.4 secs Computing kpt #: 227 total cpu time spent up to now is 242.3 secs Computing kpt #: 228 total cpu time spent up to now is 243.3 secs Computing kpt #: 229 total cpu time spent up to now is 244.2 secs Computing kpt #: 230 total cpu time spent up to now is 245.1 secs Computing kpt #: 231 total cpu time spent up to now is 246.1 secs Computing kpt #: 232 total cpu time spent up to now is 247.0 secs Computing kpt #: 233 total cpu time spent up to now is 248.0 secs Computing kpt #: 234 total cpu time spent up to now is 249.0 secs Computing kpt #: 235 total cpu time spent up to now is 250.0 secs Computing kpt #: 236 total cpu time spent up to now is 251.0 secs Computing kpt #: 237 total cpu time spent up to now is 251.9 secs Computing kpt #: 238 total cpu time spent up to now is 252.9 secs Computing kpt #: 239 total cpu time spent up to now is 254.0 secs Computing kpt #: 240 total cpu time spent up to now is 255.0 secs Computing kpt #: 241 total cpu time spent up to now is 256.0 secs Computing kpt #: 242 total cpu time spent up to now is 257.0 secs Computing kpt #: 243 total cpu time spent up to now is 258.1 secs Computing kpt #: 244 total cpu time spent up to now is 259.1 secs Computing kpt #: 245 total cpu time spent up to now is 260.2 secs Computing kpt #: 246 total cpu time spent up to now is 261.3 secs Computing kpt #: 247 total cpu time spent up to now is 262.3 secs Computing kpt #: 248 total cpu time spent up to now is 263.4 secs Computing kpt #: 249 total cpu time spent up to now is 264.4 secs Computing kpt #: 250 total cpu time spent up to now is 265.5 secs Computing kpt #: 251 total cpu time spent up to now is 266.5 secs Computing kpt #: 252 total cpu time spent up to now is 267.6 secs Computing kpt #: 253 total cpu time spent up to now is 268.7 secs Computing kpt #: 254 total cpu time spent up to now is 269.8 secs Computing kpt #: 255 total cpu time spent up to now is 270.8 secs Computing kpt #: 256 total cpu time spent up to now is 271.9 secs Computing kpt #: 257 total cpu time spent up to now is 272.8 secs Computing kpt #: 258 total cpu time spent up to now is 273.8 secs Computing kpt #: 259 total cpu time spent up to now is 274.8 secs Computing kpt #: 260 total cpu time spent up to now is 275.7 secs Computing kpt #: 261 total cpu time spent up to now is 276.7 secs Computing kpt #: 262 total cpu time spent up to now is 277.6 secs Computing kpt #: 263 total cpu time spent up to now is 278.6 secs Computing kpt #: 264 total cpu time spent up to now is 279.5 secs Computing kpt #: 265 total cpu time spent up to now is 280.5 secs Computing kpt #: 266 total cpu time spent up to now is 281.5 secs Computing kpt #: 267 total cpu time spent up to now is 282.4 secs Computing kpt #: 268 total cpu time spent up to now is 283.3 secs Computing kpt #: 269 total cpu time spent up to now is 284.3 secs Computing kpt #: 270 total cpu time spent up to now is 285.2 secs Computing kpt #: 271 total cpu time spent up to now is 286.1 secs Computing kpt #: 272 total cpu time spent up to now is 287.0 secs Computing kpt #: 273 total cpu time spent up to now is 288.0 secs Computing kpt #: 274 total cpu time spent up to now is 288.9 secs Computing kpt #: 275 total cpu time spent up to now is 289.9 secs Computing kpt #: 276 total cpu time spent up to now is 290.8 secs Computing kpt #: 277 total cpu time spent up to now is 291.7 secs Computing kpt #: 278 total cpu time spent up to now is 292.7 secs Computing kpt #: 279 total cpu time spent up to now is 293.6 secs Computing kpt #: 280 total cpu time spent up to now is 294.5 secs Computing kpt #: 281 total cpu time spent up to now is 295.4 secs Computing kpt #: 282 total cpu time spent up to now is 296.4 secs Computing kpt #: 283 total cpu time spent up to now is 297.3 secs Computing kpt #: 284 total cpu time spent up to now is 298.2 secs Computing kpt #: 285 total cpu time spent up to now is 299.1 secs Computing kpt #: 286 total cpu time spent up to now is 300.0 secs ethr = 1.85E-08, avg # of iterations = 17.4 total cpu time spent up to now is 300.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10619 PWs) bands (ev): -14.7959 -14.7959 -13.5857 -13.5857 -12.9959 -12.9959 -3.5192 -3.5192 -2.1093 -2.1093 -2.0450 -2.0450 -0.7316 -0.7316 -0.7122 -0.7122 -0.2956 -0.2956 1.4865 1.4865 1.5113 1.5113 1.6593 1.6593 1.9244 1.9244 2.6373 2.6373 2.6651 2.6651 2.7868 2.7868 3.2915 3.2915 3.2993 3.2993 3.5428 3.5428 3.5914 3.5914 3.7233 3.7233 3.8487 3.8487 3.8526 3.8526 4.1490 4.1490 4.3001 4.3001 5.4585 5.4585 5.5019 5.5019 7.1431 7.1431 8.2125 8.2125 9.4101 9.4101 9.4194 9.4194 9.5246 9.5246 k = 0.0143 0.0082-0.0000 ( 10609 PWs) bands (ev): -14.7959 -14.7959 -13.5855 -13.5855 -12.9962 -12.9962 -3.5194 -3.5194 -2.1096 -2.1096 -2.0455 -2.0455 -0.7308 -0.7308 -0.7112 -0.7112 -0.2949 -0.2949 1.4844 1.4844 1.5091 1.5091 1.6577 1.6577 1.9258 1.9258 2.6381 2.6381 2.6659 2.6659 2.7874 2.7874 3.2920 3.2920 3.2998 3.2998 3.5433 3.5433 3.5920 3.5920 3.7234 3.7234 3.8486 3.8486 3.8525 3.8525 4.1497 4.1497 4.2996 4.2996 5.4567 5.4567 5.5001 5.5001 7.1445 7.1445 8.2127 8.2127 9.3699 9.3699 9.4174 9.4174 9.5693 9.5693 k = 0.0286 0.0165-0.0000 ( 10609 PWs) bands (ev): -14.7956 -14.7956 -13.5849 -13.5849 -12.9971 -12.9971 -3.5199 -3.5199 -2.1105 -2.1105 -2.0470 -2.0470 -0.7282 -0.7282 -0.7081 -0.7081 -0.2929 -0.2929 1.4781 1.4781 1.5029 1.5029 1.6529 1.6529 1.9301 1.9301 2.6403 2.6403 2.6681 2.6681 2.7892 2.7892 3.2935 3.2935 3.3014 3.3014 3.5449 3.5449 3.5935 3.5935 3.7236 3.7236 3.8481 3.8481 3.8523 3.8523 4.1519 4.1519 4.2981 4.2981 5.4510 5.4510 5.4949 5.4949 7.1485 7.1485 8.2132 8.2132 9.2955 9.2955 9.4238 9.4238 9.6448 9.6448 k = 0.0429 0.0247-0.0000 ( 10615 PWs) bands (ev): -14.7953 -14.7953 -13.5839 -13.5839 -12.9985 -12.9985 -3.5207 -3.5207 -2.1121 -2.1121 -2.0494 -2.0494 -0.7242 -0.7242 -0.7029 -0.7029 -0.2895 -0.2895 1.4669 1.4669 1.4935 1.4935 1.6450 1.6450 1.9370 1.9370 2.6441 2.6441 2.6718 2.6718 2.7920 2.7920 3.2958 3.2958 3.3041 3.3041 3.5473 3.5473 3.5963 3.5963 3.7240 3.7240 3.8473 3.8473 3.8521 3.8521 4.1555 4.1555 4.2956 4.2956 5.4411 5.4411 5.4870 5.4870 7.1553 7.1553 8.2140 8.2140 9.2171 9.2171 9.4348 9.4348 9.7249 9.7249 k = 0.0571 0.0330-0.0000 ( 10615 PWs) bands (ev): -14.7948 -14.7948 -13.5825 -13.5825 -13.0005 -13.0005 -3.5219 -3.5219 -2.1143 -2.1143 -2.0527 -2.0527 -0.7188 -0.7188 -0.6954 -0.6954 -0.2848 -0.2848 1.4504 1.4504 1.4818 1.4818 1.6342 1.6342 1.9464 1.9464 2.6491 2.6491 2.6770 2.6770 2.7961 2.7961 3.2991 3.2991 3.3077 3.3077 3.5502 3.5502 3.6002 3.6002 3.7246 3.7246 3.8459 3.8459 3.8521 3.8521 4.1605 4.1605 4.2921 4.2921 5.4262 5.4262 5.4771 5.4771 7.1647 7.1647 8.2147 8.2147 9.1386 9.1386 9.4502 9.4502 9.8062 9.8062 k = 0.0714 0.0412-0.0000 ( 10621 PWs) bands (ev): -14.7942 -14.7942 -13.5807 -13.5807 -13.0031 -13.0031 -3.5234 -3.5234 -2.1171 -2.1171 -2.0569 -2.0569 -0.7124 -0.7124 -0.6856 -0.6856 -0.2789 -0.2789 1.4288 1.4288 1.4682 1.4682 1.6206 1.6206 1.9580 1.9580 2.6552 2.6552 2.6835 2.6835 2.8012 2.8012 3.3031 3.3031 3.3122 3.3122 3.5534 3.5534 3.6055 3.6055 3.7254 3.7254 3.8441 3.8441 3.8521 3.8521 4.1668 4.1668 4.2877 4.2877 5.4062 5.4062 5.4660 5.4660 7.1767 7.1767 8.2150 8.2150 9.0615 9.0615 9.4699 9.4699 9.8877 9.8877 k = 0.0857 0.0495-0.0000 ( 10623 PWs) bands (ev): -14.7934 -14.7934 -13.5785 -13.5785 -13.0062 -13.0062 -3.5252 -3.5252 -2.1205 -2.1205 -2.0617 -2.0617 -0.7050 -0.7050 -0.6736 -0.6736 -0.2716 -0.2716 1.4026 1.4026 1.4530 1.4530 1.6046 1.6046 1.9717 1.9717 2.6623 2.6623 2.6915 2.6915 2.8074 2.8074 3.3078 3.3078 3.3175 3.3175 3.5566 3.5566 3.6120 3.6120 3.7265 3.7265 3.8418 3.8418 3.8523 3.8523 4.1743 4.1743 4.2825 4.2825 5.3810 5.3810 5.4540 5.4540 7.1912 7.1912 8.2144 8.2144 8.9866 8.9866 9.4936 9.4936 9.9692 9.9692 k = 0.1000 0.0577-0.0000 ( 10615 PWs) bands (ev): -14.7925 -14.7925 -13.5759 -13.5759 -13.0099 -13.0099 -3.5272 -3.5272 -2.1244 -2.1244 -2.0671 -2.0671 -0.6965 -0.6965 -0.6595 -0.6595 -0.2631 -0.2631 1.3726 1.3726 1.4359 1.4359 1.5862 1.5862 1.9873 1.9873 2.6701 2.6701 2.7008 2.7008 2.8146 2.8146 3.3132 3.3132 3.3236 3.3236 3.5596 3.5596 3.6196 3.6196 3.7280 3.7280 3.8392 3.8392 3.8526 3.8526 4.1828 4.1828 4.2765 4.2765 5.3511 5.3511 5.4410 5.4410 7.2080 7.2080 8.2124 8.2124 8.9151 8.9151 9.5213 9.5213 10.0504 10.0504 k = 0.1143 0.0660-0.0000 ( 10617 PWs) bands (ev): -14.7915 -14.7915 -13.5729 -13.5729 -13.0141 -13.0141 -3.5296 -3.5296 -2.1288 -2.1288 -2.0729 -2.0729 -0.6872 -0.6872 -0.6437 -0.6437 -0.2534 -0.2534 1.3394 1.3394 1.4171 1.4171 1.5657 1.5657 2.0047 2.0047 2.6783 2.6783 2.7115 2.7115 2.8228 2.8228 3.3190 3.3190 3.3303 3.3303 3.5624 3.5624 3.6278 3.6278 3.7300 3.7300 3.8363 3.8363 3.8530 3.8530 4.1921 4.1921 4.2700 4.2700 5.3170 5.3170 5.4272 5.4272 7.2270 7.2270 8.2080 8.2080 8.8480 8.8480 9.5528 9.5528 10.1311 10.1311 k = 0.1286 0.0742-0.0000 ( 10609 PWs) bands (ev): -14.7904 -14.7904 -13.5695 -13.5695 -13.0188 -13.0188 -3.5321 -3.5321 -2.1337 -2.1337 -2.0791 -2.0791 -0.6769 -0.6769 -0.6262 -0.6262 -0.2427 -0.2427 1.3035 1.3035 1.3966 1.3966 1.5435 1.5435 2.0237 2.0237 2.6869 2.6869 2.7236 2.7236 2.8319 2.8319 3.3252 3.3252 3.3375 3.3375 3.5649 3.5649 3.6360 3.6360 3.7328 3.7328 3.8331 3.8331 3.8536 3.8536 4.2016 4.2016 4.2635 4.2635 5.2792 5.2792 5.4126 5.4126 7.2480 7.2480 8.2002 8.2002 8.7865 8.7865 9.5879 9.5879 10.2110 10.2110 k = 0.1429 0.0825-0.0000 ( 10609 PWs) bands (ev): -14.7892 -14.7892 -13.5657 -13.5657 -13.0241 -13.0241 -3.5348 -3.5348 -2.1390 -2.1390 -2.0855 -2.0855 -0.6657 -0.6657 -0.6074 -0.6074 -0.2309 -0.2309 1.2656 1.2656 1.3747 1.3747 1.5195 1.5195 2.0444 2.0444 2.6956 2.6956 2.7369 2.7369 2.8419 2.8419 3.3316 3.3316 3.3452 3.3452 3.5672 3.5672 3.6436 3.6436 3.7365 3.7365 3.8299 3.8299 3.8543 3.8543 4.2101 4.2101 4.2580 4.2580 5.2382 5.2382 5.3972 5.3972 7.2708 7.2708 8.1881 8.1881 8.7319 8.7319 9.6263 9.6263 10.2896 10.2896 k = 0.1571 0.0907-0.0000 ( 10599 PWs) bands (ev): -14.7879 -14.7879 -13.5615 -13.5615 -13.0298 -13.0298 -3.5377 -3.5377 -2.1447 -2.1447 -2.0920 -2.0920 -0.6537 -0.6537 -0.5875 -0.5875 -0.2182 -0.2182 1.2260 1.2260 1.3514 1.3514 1.4942 1.4942 2.0666 2.0666 2.7045 2.7045 2.7513 2.7513 2.8526 2.8526 3.3382 3.3382 3.3531 3.3531 3.5693 3.5693 3.6497 3.6497 3.7415 3.7415 3.8268 3.8268 3.8552 3.8552 4.2150 4.2150 4.2562 4.2562 5.1946 5.1946 5.3812 5.3812 7.2951 7.2951 8.1705 8.1705 8.6854 8.6854 9.6679 9.6679 10.3659 10.3659 k = 0.1714 0.0990-0.0000 ( 10593 PWs) bands (ev): -14.7865 -14.7865 -13.5570 -13.5570 -13.0360 -13.0360 -3.5408 -3.5408 -2.1507 -2.1507 -2.0986 -2.0986 -0.6408 -0.6408 -0.5666 -0.5666 -0.2047 -0.2047 1.1854 1.1854 1.3270 1.3270 1.4677 1.4677 2.0903 2.0903 2.7135 2.7135 2.7669 2.7669 2.8641 2.8641 3.3449 3.3449 3.3612 3.3612 3.5712 3.5712 3.6540 3.6540 3.7477 3.7477 3.8240 3.8240 3.8563 3.8563 4.2135 4.2135 4.2605 4.2605 5.1489 5.1489 5.3646 5.3646 7.3206 7.3206 8.1470 8.1470 8.6480 8.6480 9.7123 9.7123 10.4379 10.4379 k = 0.1857 0.1072-0.0000 ( 10601 PWs) bands (ev): -14.7851 -14.7851 -13.5521 -13.5521 -13.0426 -13.0426 -3.5440 -3.5440 -2.1569 -2.1569 -2.1051 -2.1051 -0.6272 -0.6272 -0.5450 -0.5450 -0.1906 -0.1906 1.1440 1.1440 1.3016 1.3016 1.4402 1.4402 2.1154 2.1154 2.7227 2.7227 2.7834 2.7834 2.8762 2.8762 3.3516 3.3516 3.3693 3.3693 3.5728 3.5728 3.6561 3.6561 3.7546 3.7546 3.8218 3.8218 3.8577 3.8577 4.2069 4.2069 4.2698 4.2698 5.1017 5.1017 5.3477 5.3477 7.3469 7.3469 8.1178 8.1178 8.6196 8.6196 9.7594 9.7594 10.5022 10.5022 k = 0.2000 0.1155-0.0000 ( 10593 PWs) bands (ev): -14.7836 -14.7836 -13.5468 -13.5468 -13.0497 -13.0497 -3.5472 -3.5472 -2.1632 -2.1632 -2.1116 -2.1116 -0.6129 -0.6129 -0.5229 -0.5229 -0.1759 -0.1759 1.1025 1.1025 1.2754 1.2754 1.4118 1.4118 2.1418 2.1418 2.7319 2.7319 2.8009 2.8009 2.8888 2.8888 3.3582 3.3582 3.3774 3.3774 3.5742 3.5742 3.6560 3.6560 3.7616 3.7616 3.8205 3.8205 3.8595 3.8595 4.1976 4.1976 4.2811 4.2811 5.0534 5.0534 5.3305 5.3305 7.3733 7.3733 8.0839 8.0839 8.5995 8.5995 9.8088 9.8088 10.5530 10.5530 k = 0.2143 0.1237-0.0000 ( 10587 PWs) bands (ev): -14.7820 -14.7820 -13.5412 -13.5412 -13.0572 -13.0572 -3.5505 -3.5505 -2.1696 -2.1696 -2.1179 -2.1179 -0.5980 -0.5980 -0.5004 -0.5004 -0.1610 -0.1610 1.0611 1.0611 1.2486 1.2486 1.3829 1.3829 2.1694 2.1694 2.7413 2.7413 2.8191 2.8191 2.9020 2.9020 3.3645 3.3645 3.3853 3.3853 3.5754 3.5754 3.6539 3.6539 3.7675 3.7675 3.8206 3.8206 3.8618 3.8618 4.1872 4.1872 4.2931 4.2931 5.0048 5.0048 5.3132 5.3132 7.3993 7.3993 8.0472 8.0472 8.5865 8.5865 9.8603 9.8603 10.5843 10.5843 k = 0.2286 0.1320-0.0000 ( 10603 PWs) bands (ev): -14.7805 -14.7805 -13.5352 -13.5352 -13.0651 -13.0651 -3.5538 -3.5538 -2.1759 -2.1759 -2.1241 -2.1241 -0.5826 -0.5826 -0.4776 -0.4776 -0.1459 -0.1459 1.0202 1.0202 1.2214 1.2214 1.3534 1.3534 2.1982 2.1982 2.7509 2.7509 2.8381 2.8381 2.9157 2.9157 3.3706 3.3706 3.3929 3.3929 3.5762 3.5762 3.6501 3.6501 3.7714 3.7714 3.8223 3.8223 3.8649 3.8649 4.1763 4.1763 4.3047 4.3047 4.9563 4.9563 5.2961 5.2961 7.4240 7.4240 8.0099 8.0099 8.5789 8.5789 9.9135 9.9135 10.5946 10.5946 k = 0.2429 0.1402-0.0000 ( 10600 PWs) bands (ev): -14.7789 -14.7789 -13.5289 -13.5289 -13.0733 -13.0733 -3.5571 -3.5571 -2.1822 -2.1822 -2.1301 -2.1301 -0.5667 -0.5667 -0.4547 -0.4547 -0.1309 -0.1309 0.9803 0.9803 1.1940 1.1940 1.3237 1.3237 2.2279 2.2279 2.7609 2.7609 2.8577 2.8577 2.9298 2.9298 3.3763 3.3763 3.4001 3.4001 3.5765 3.5765 3.6450 3.6450 3.7726 3.7726 3.8253 3.8253 3.8690 3.8690 4.1654 4.1654 4.3152 4.3152 4.9090 4.9090 5.2791 5.2791 7.4461 7.4461 7.9746 7.9746 8.5754 8.5754 9.9680 9.9680 10.5875 10.5875 k = 0.2571 0.1485-0.0000 ( 10598 PWs) bands (ev): -14.7773 -14.7773 -13.5223 -13.5223 -13.0818 -13.0818 -3.5603 -3.5603 -2.1882 -2.1882 -2.1358 -2.1358 -0.5505 -0.5505 -0.4318 -0.4318 -0.1163 -0.1163 0.9417 0.9417 1.1664 1.1664 1.2939 1.2939 2.2584 2.2584 2.7712 2.7712 2.8779 2.8779 2.9442 2.9442 3.3816 3.3816 3.4068 3.4068 3.5761 3.5761 3.6389 3.6389 3.7716 3.7716 3.8286 3.8286 3.8743 3.8743 4.1548 4.1548 4.3240 4.3240 4.8634 4.8634 5.2624 5.2624 7.4642 7.4642 7.9436 7.9436 8.5745 8.5745 10.0235 10.0235 10.5681 10.5681 k = 0.2714 0.1567-0.0000 ( 10586 PWs) bands (ev): -14.7757 -14.7757 -13.5155 -13.5155 -13.0906 -13.0906 -3.5635 -3.5635 -2.1941 -2.1941 -2.1413 -2.1413 -0.5340 -0.5340 -0.4090 -0.4090 -0.1023 -0.1023 0.9048 0.9048 1.1390 1.1390 1.2640 1.2640 2.2895 2.2895 2.7820 2.7820 2.8985 2.8985 2.9591 2.9591 3.3863 3.3863 3.4130 3.4130 3.5749 3.5749 3.6322 3.6322 3.7686 3.7686 3.8314 3.8314 3.8806 3.8806 4.1448 4.1448 4.3304 4.3304 4.8208 4.8208 5.2461 5.2461 7.4765 7.4765 7.9197 7.9197 8.5753 8.5753 10.0797 10.0797 10.5404 10.5404 k = 0.2857 0.1650-0.0000 ( 10588 PWs) bands (ev): -14.7742 -14.7742 -13.5084 -13.5084 -13.0996 -13.0996 -3.5667 -3.5667 -2.1997 -2.1997 -2.1466 -2.1466 -0.5174 -0.5174 -0.3864 -0.3864 -0.0892 -0.0892 0.8699 0.8699 1.1118 1.1118 1.2344 1.2344 2.3210 2.3210 2.7934 2.7934 2.9196 2.9196 2.9742 2.9742 3.3903 3.3903 3.4185 3.4185 3.5724 3.5724 3.6254 3.6254 3.7641 3.7641 3.8332 3.8332 3.8875 3.8875 4.1356 4.1356 4.3335 4.3335 4.7820 4.7820 5.2304 5.2304 7.4815 7.4815 7.9048 7.9048 8.5769 8.5769 10.1360 10.1360 10.5076 10.5076 k = 0.3000 0.1732-0.0000 ( 10598 PWs) bands (ev): -14.7727 -14.7727 -13.5010 -13.5010 -13.1088 -13.1088 -3.5697 -3.5697 -2.2049 -2.2049 -2.1516 -2.1516 -0.5008 -0.5008 -0.3641 -0.3640 -0.0773 -0.0773 0.8373 0.8373 1.0851 1.0851 1.2052 1.2052 2.3525 2.3525 2.8056 2.8056 2.9409 2.9409 2.9897 2.9897 3.3935 3.3935 3.4233 3.4233 3.5684 3.5684 3.6191 3.6191 3.7582 3.7582 3.8340 3.8340 3.8944 3.8944 4.1274 4.1274 4.3329 4.3329 4.7482 4.7482 5.2153 5.2153 7.4782 7.4782 7.9003 7.9003 8.5785 8.5785 10.1920 10.1920 10.4717 10.4717 k = 0.3143 0.1815-0.0000 ( 10590 PWs) bands (ev): -14.7712 -14.7712 -13.4935 -13.4935 -13.1181 -13.1181 -3.5725 -3.5725 -2.2099 -2.2099 -2.1562 -2.1562 -0.4843 -0.4843 -0.3420 -0.3420 -0.0668 -0.0668 0.8073 0.8073 1.0591 1.0591 1.1765 1.1765 2.3838 2.3838 2.8189 2.8189 2.9624 2.9624 3.0055 3.0055 3.3957 3.3957 3.4273 3.4273 3.5625 3.5625 3.6137 3.6137 3.7509 3.7509 3.8340 3.8340 3.9005 3.9005 4.1203 4.1203 4.3279 4.3279 4.7202 4.7202 5.2009 5.2009 7.4672 7.4672 7.9059 7.9059 8.5796 8.5796 10.2471 10.2471 10.4347 10.4347 k = 0.3286 0.1897-0.0000 ( 10594 PWs) bands (ev): -14.7698 -14.7698 -13.4859 -13.4859 -13.1274 -13.1274 -3.5752 -3.5752 -2.2144 -2.2144 -2.1606 -2.1606 -0.4680 -0.4680 -0.3204 -0.3204 -0.0580 -0.0580 0.7801 0.7801 1.0339 1.0339 1.1484 1.1484 2.4144 2.4144 2.8334 2.8334 2.9838 2.9838 3.0217 3.0217 3.3968 3.3968 3.4305 3.4305 3.5547 3.5547 3.6094 3.6094 3.7424 3.7424 3.8334 3.8334 3.9054 3.9054 4.1144 4.1144 4.3188 4.3188 4.6985 4.6985 5.1873 5.1873 7.4501 7.4501 7.9202 7.9202 8.5796 8.5796 10.2996 10.2996 10.3989 10.3989 k = 0.3429 0.1979-0.0000 ( 10590 PWs) bands (ev): -14.7684 -14.7684 -13.4782 -13.4782 -13.1367 -13.1367 -3.5778 -3.5778 -2.2186 -2.2186 -2.1646 -2.1646 -0.4521 -0.4521 -0.2992 -0.2992 -0.0511 -0.0511 0.7561 0.7561 1.0096 1.0096 1.1213 1.1213 2.4439 2.4439 2.8494 2.8494 3.0047 3.0047 3.0385 3.0385 3.3965 3.3965 3.4326 3.4326 3.5455 3.5455 3.6059 3.6059 3.7326 3.7326 3.8323 3.8323 3.9085 3.9085 4.1095 4.1095 4.3062 4.3062 4.6830 4.6830 5.1746 5.1746 7.4291 7.4291 7.9411 7.9411 8.5782 8.5782 10.3366 10.3366 10.3780 10.3780 k = 0.3571 0.2062-0.0000 ( 10580 PWs) bands (ev): -14.7672 -14.7672 -13.4705 -13.4705 -13.1460 -13.1460 -3.5802 -3.5802 -2.2225 -2.2225 -2.1683 -2.1683 -0.4367 -0.4367 -0.2785 -0.2785 -0.0462 -0.0462 0.7351 0.7351 0.9866 0.9866 1.0952 1.0952 2.4718 2.4718 2.8671 2.8671 3.0247 3.0247 3.0562 3.0562 3.3946 3.3946 3.4335 3.4335 3.5353 3.5353 3.6032 3.6032 3.7218 3.7218 3.8309 3.8309 3.9095 3.9095 4.1055 4.1055 4.2915 4.2915 4.6729 4.6729 5.1628 5.1628 7.4060 7.4060 7.9666 7.9666 8.5750 8.5750 10.3169 10.3169 10.4134 10.4134 k = 0.3714 0.2144-0.0000 ( 10586 PWs) bands (ev): -14.7660 -14.7660 -13.4629 -13.4629 -13.1550 -13.1550 -3.5824 -3.5824 -2.2259 -2.2259 -2.1717 -2.1717 -0.4221 -0.4221 -0.2583 -0.2583 -0.0435 -0.0435 0.7174 0.7174 0.9650 0.9650 1.0703 1.0703 2.4978 2.4978 2.8868 2.8868 3.0432 3.0432 3.0750 3.0750 3.3910 3.3910 3.4329 3.4329 3.5249 3.5249 3.6008 3.6008 3.7103 3.7103 3.8293 3.8293 3.9082 3.9082 4.1024 4.1024 4.2762 4.2762 4.6672 4.6672 5.1519 5.1519 7.3825 7.3825 7.9953 7.9953 8.5698 8.5698 10.2858 10.2858 10.4602 10.4602 k = 0.3857 0.2227-0.0000 ( 10588 PWs) bands (ev): -14.7649 -14.7649 -13.4555 -13.4555 -13.1638 -13.1638 -3.5843 -3.5843 -2.2290 -2.2290 -2.1747 -2.1747 -0.4083 -0.4083 -0.2388 -0.2388 -0.0431 -0.0431 0.7029 0.7029 0.9449 0.9449 1.0469 1.0469 2.5213 2.5213 2.9084 2.9084 3.0598 3.0598 3.0951 3.0951 3.3855 3.3855 3.4303 3.4303 3.5148 3.5148 3.5986 3.5986 3.6982 3.6982 3.8275 3.8275 3.9047 3.9047 4.0999 4.0999 4.2618 4.2618 4.6647 4.6647 5.1421 5.1421 7.3597 7.3597 8.0257 8.0257 8.5626 8.5626 10.2561 10.2561 10.5056 10.5056 k = 0.4000 0.2309-0.0000 ( 10594 PWs) bands (ev): -14.7639 -14.7639 -13.4484 -13.4484 -13.1721 -13.1721 -3.5861 -3.5861 -2.2317 -2.2317 -2.1773 -2.1773 -0.3955 -0.3955 -0.2198 -0.2198 -0.0447 -0.0447 0.6913 0.6913 0.9266 0.9266 1.0252 1.0252 2.5421 2.5421 2.9320 2.9320 3.0746 3.0746 3.1161 3.1161 3.3779 3.3779 3.4252 3.4252 3.5060 3.5060 3.5965 3.5965 3.6862 3.6862 3.8255 3.8255 3.8993 3.8993 4.0979 4.0979 4.2493 4.2493 4.6643 4.6643 5.1333 5.1333 7.3383 7.3383 8.0570 8.0570 8.5532 8.5532 10.2291 10.2291 10.5482 10.5482 k = 0.4143 0.2392-0.0000 ( 10594 PWs) bands (ev): -14.7631 -14.7631 -13.4417 -13.4417 -13.1799 -13.1799 -3.5876 -3.5876 -2.2341 -2.2341 -2.1796 -2.1796 -0.3840 -0.3840 -0.2016 -0.2016 -0.0485 -0.0485 0.6825 0.6825 0.9103 0.9103 1.0055 1.0055 2.5601 2.5601 2.9571 2.9571 3.0874 3.0874 3.1377 3.1377 3.3681 3.3681 3.4174 3.4174 3.4988 3.4988 3.5944 3.5944 3.6744 3.6744 3.8233 3.8233 3.8926 3.8926 4.0964 4.0964 4.2392 4.2392 4.6654 4.6654 5.1257 5.1257 7.3189 7.3189 8.0881 8.0881 8.5420 8.5420 10.2055 10.2055 10.5874 10.5874 k = 0.4286 0.2474-0.0000 ( 10600 PWs) bands (ev): -14.7623 -14.7623 -13.4356 -13.4356 -13.1869 -13.1869 -3.5890 -3.5890 -2.2360 -2.2360 -2.1815 -2.1815 -0.3739 -0.3739 -0.1841 -0.1841 -0.0541 -0.0541 0.6761 0.6761 0.8961 0.8961 0.9881 0.9881 2.5750 2.5750 2.9832 2.9832 3.0983 3.0983 3.1595 3.1595 3.3560 3.3560 3.4070 3.4070 3.4936 3.4936 3.5925 3.5925 3.6635 3.6635 3.8208 3.8208 3.8854 3.8854 4.0952 4.0952 4.2315 4.2315 4.6671 4.6671 5.1191 5.1191 7.3020 7.3020 8.1182 8.1182 8.5293 8.5293 10.1854 10.1854 10.6226 10.6226 k = 0.4429 0.2557-0.0000 ( 10596 PWs) bands (ev): -14.7617 -14.7617 -13.4302 -13.4302 -13.1930 -13.1930 -3.5901 -3.5901 -2.2376 -2.2376 -2.1831 -2.1831 -0.3653 -0.3653 -0.1673 -0.1673 -0.0614 -0.0614 0.6717 0.6717 0.8842 0.8842 0.9732 0.9732 2.5870 2.5870 3.0094 3.0094 3.1068 3.1068 3.1812 3.1812 3.3416 3.3416 3.3951 3.3951 3.4901 3.4901 3.5907 3.5907 3.6539 3.6539 3.8183 3.8183 3.8787 3.8787 4.0945 4.0945 4.2261 4.2261 4.6690 4.6690 5.1137 5.1137 7.2879 7.2879 8.1461 8.1461 8.5159 8.5159 10.1690 10.1690 10.6535 10.6535 k = 0.4571 0.2639-0.0000 ( 10596 PWs) bands (ev): -14.7613 -14.7613 -13.4258 -13.4258 -13.1980 -13.1980 -3.5909 -3.5909 -2.2389 -2.2389 -2.1843 -2.1843 -0.3585 -0.3585 -0.1515 -0.1515 -0.0702 -0.0702 0.6689 0.6689 0.8748 0.8748 0.9612 0.9612 2.5962 2.5962 3.0345 3.0345 3.1126 3.1126 3.2026 3.2026 3.3251 3.3251 3.3832 3.3832 3.4879 3.4879 3.5891 3.5891 3.6460 3.6460 3.8158 3.8158 3.8730 3.8730 4.0940 4.0940 4.2224 4.2224 4.6708 4.6708 5.1095 5.1095 7.2767 7.2767 8.1708 8.1708 8.5028 8.5028 10.1562 10.1562 10.6794 10.6794 k = 0.4714 0.2722-0.0000 ( 10584 PWs) bands (ev): -14.7609 -14.7609 -13.4225 -13.4225 -13.2017 -13.2017 -3.5915 -3.5915 -2.2398 -2.2398 -2.1851 -2.1851 -0.3535 -0.3535 -0.1367 -0.1367 -0.0800 -0.0800 0.6672 0.6672 0.8679 0.8679 0.9524 0.9524 2.6026 2.6026 3.0565 3.0565 3.1154 3.1154 3.2237 3.2237 3.3067 3.3067 3.3729 3.3729 3.4865 3.4865 3.5878 3.5878 3.6401 3.6401 3.8137 3.8137 3.8689 3.8689 4.0937 4.0937 4.2200 4.2200 4.6723 4.6723 5.1065 5.1065 7.2686 7.2686 8.1905 8.1905 8.4913 8.4913 10.1472 10.1472 10.6994 10.6994 k = 0.4857 0.2804-0.0000 ( 10584 PWs) bands (ev): -14.7607 -14.7607 -13.4204 -13.4204 -13.2040 -13.2040 -3.5919 -3.5919 -2.2403 -2.2403 -2.1857 -2.1857 -0.3505 -0.3505 -0.1237 -0.1237 -0.0901 -0.0901 0.6664 0.6664 0.8638 0.8638 0.9469 0.9469 2.6065 2.6065 3.0730 3.0730 3.1152 3.1152 3.2441 3.2441 3.2875 3.2875 3.3659 3.3659 3.4858 3.4858 3.5870 3.5870 3.6365 3.6365 3.8122 3.8122 3.8664 3.8664 4.0936 4.0936 4.2187 4.2187 4.6732 4.6732 5.1046 5.1046 7.2637 7.2637 8.2034 8.2034 8.4834 8.4834 10.1417 10.1417 10.7123 10.7123 k = 0.5000 0.2887-0.0000 ( 10578 PWs) bands (ev): -14.7606 -14.7606 -13.4197 -13.4197 -13.2048 -13.2048 -3.5920 -3.5920 -2.2405 -2.2405 -2.1858 -2.1858 -0.3495 -0.3495 -0.1167 -0.1167 -0.0961 -0.0961 0.6661 0.6661 0.8624 0.8624 0.9451 0.9451 2.6077 2.6077 3.0795 3.0795 3.1144 3.1144 3.2592 3.2592 3.2727 3.2727 3.3633 3.3633 3.4856 3.4856 3.5867 3.5867 3.6353 3.6353 3.8117 3.8117 3.8656 3.8656 4.0936 4.0936 4.2183 4.2183 4.6735 4.6735 5.1040 5.1040 7.2621 7.2621 8.2079 8.2079 8.4805 8.4805 10.1399 10.1399 10.7168 10.7168 k = 0.5000 0.2887-0.0000 ( 10578 PWs) bands (ev): -14.7606 -14.7606 -13.4197 -13.4197 -13.2048 -13.2048 -3.5920 -3.5920 -2.2405 -2.2405 -2.1858 -2.1858 -0.3495 -0.3495 -0.1167 -0.1167 -0.0961 -0.0961 0.6661 0.6661 0.8624 0.8624 0.9451 0.9451 2.6077 2.6077 3.0795 3.0795 3.1144 3.1144 3.2592 3.2592 3.2727 3.2727 3.3633 3.3633 3.4856 3.4856 3.5867 3.5867 3.6353 3.6353 3.8117 3.8117 3.8656 3.8656 4.0936 4.0936 4.2183 4.2183 4.6735 4.6735 5.1040 5.1040 7.2621 7.2621 8.2079 8.2079 8.4805 8.4805 10.1399 10.1399 10.7168 10.7168 k = 0.4917 0.3031-0.0000 ( 10568 PWs) bands (ev): -14.7606 -14.7606 -13.4195 -13.4195 -13.2051 -13.2051 -3.5920 -3.5920 -2.2404 -2.2404 -2.1858 -2.1858 -0.3503 -0.3503 -0.1165 -0.1165 -0.0961 -0.0961 0.6665 0.6665 0.8622 0.8622 0.9451 0.9451 2.6086 2.6086 3.0783 3.0783 3.1156 3.1156 3.2599 3.2599 3.2719 3.2719 3.3637 3.3637 3.4859 3.4859 3.5864 3.5864 3.6353 3.6353 3.8116 3.8116 3.8660 3.8660 4.0942 4.0942 4.2189 4.2189 4.6732 4.6732 5.1002 5.1002 7.2661 7.2661 8.2081 8.2081 8.4801 8.4801 10.1323 10.1323 10.7239 10.7239 k = 0.4833 0.3175-0.0000 ( 10588 PWs) bands (ev): -14.7606 -14.7606 -13.4186 -13.4186 -13.2061 -13.2061 -3.5920 -3.5920 -2.2401 -2.2401 -2.1858 -2.1858 -0.3528 -0.3528 -0.1157 -0.1157 -0.0963 -0.0963 0.6675 0.6675 0.8616 0.8616 0.9450 0.9450 2.6114 2.6114 3.0750 3.0750 3.1188 3.1188 3.2619 3.2619 3.2698 3.2698 3.3648 3.3648 3.4868 3.4868 3.5854 3.5854 3.6352 3.6352 3.8112 3.8112 3.8670 3.8670 4.0960 4.0960 4.2204 4.2204 4.6723 4.6723 5.0888 5.0888 7.2781 7.2781 8.2087 8.2087 8.4789 8.4789 10.1107 10.1107 10.7425 10.7425 k = 0.4750 0.3320-0.0000 ( 10590 PWs) bands (ev): -14.7605 -14.7605 -13.4172 -13.4172 -13.2077 -13.2077 -3.5920 -3.5920 -2.2396 -2.2396 -2.1859 -2.1859 -0.3568 -0.3568 -0.1147 -0.1147 -0.0964 -0.0964 0.6693 0.6693 0.8607 0.8607 0.9447 0.9447 2.6160 2.6160 3.0703 3.0703 3.1232 3.1232 3.2650 3.2650 3.2667 3.2667 3.3663 3.3663 3.4884 3.4884 3.5838 3.5838 3.6353 3.6353 3.8106 3.8106 3.8687 3.8687 4.0989 4.0989 4.2228 4.2228 4.6708 4.6708 5.0702 5.0702 7.2977 7.2977 8.2098 8.2098 8.4769 8.4769 10.0779 10.0779 10.7260 10.7260 k = 0.4667 0.3464-0.0000 ( 10578 PWs) bands (ev): -14.7603 -14.7603 -13.4152 -13.4152 -13.2098 -13.2098 -3.5921 -3.5921 -2.2389 -2.2389 -2.1859 -2.1859 -0.3620 -0.3620 -0.1135 -0.1135 -0.0965 -0.0965 0.6718 0.6718 0.8594 0.8594 0.9444 0.9444 2.6224 2.6224 3.0650 3.0650 3.1281 3.1281 3.2619 3.2619 3.2702 3.2702 3.3682 3.3682 3.4907 3.4907 3.5815 3.5815 3.6354 3.6354 3.8098 3.8098 3.8712 3.8712 4.1029 4.1029 4.2261 4.2261 4.6688 4.6688 5.0450 5.0450 7.3241 7.3241 8.2113 8.2113 8.4743 8.4743 10.0372 10.0372 10.6565 10.6565 k = 0.4583 0.3608-0.0000 ( 10574 PWs) bands (ev): -14.7601 -14.7601 -13.4126 -13.4126 -13.2126 -13.2126 -3.5921 -3.5921 -2.2381 -2.2381 -2.1860 -2.1860 -0.3683 -0.3683 -0.1123 -0.1123 -0.0965 -0.0965 0.6750 0.6750 0.8577 0.8577 0.9438 0.9438 2.6305 2.6305 3.0592 3.0592 3.1331 3.1331 3.2569 3.2569 3.2760 3.2760 3.3701 3.3701 3.4937 3.4937 3.5785 3.5785 3.6357 3.6357 3.8090 3.8090 3.8745 3.8745 4.1077 4.1077 4.2301 4.2301 4.6662 4.6662 5.0141 5.0141 7.3566 7.3566 8.2134 8.2134 8.4710 8.4710 9.9914 9.9914 10.5773 10.5773 k = 0.4500 0.3753-0.0000 ( 10578 PWs) bands (ev): -14.7599 -14.7599 -13.4095 -13.4095 -13.2160 -13.2160 -3.5922 -3.5922 -2.2371 -2.2371 -2.1861 -2.1861 -0.3754 -0.3754 -0.1114 -0.1114 -0.0963 -0.0963 0.6788 0.6788 0.8556 0.8556 0.9430 0.9430 2.6404 2.6404 3.0532 3.0532 3.1380 3.1380 3.2514 3.2514 3.2828 3.2828 3.3720 3.3720 3.4975 3.4975 3.5748 3.5748 3.6362 3.6362 3.8082 3.8082 3.8787 3.8787 4.1131 4.1131 4.2345 4.2345 4.6630 4.6630 4.9783 4.9783 7.3940 7.3940 8.2162 8.2162 8.4671 8.4671 9.9427 9.9427 10.4939 10.4939 k = 0.4417 0.3897-0.0000 ( 10582 PWs) bands (ev): -14.7597 -14.7597 -13.4059 -13.4059 -13.2200 -13.2200 -3.5923 -3.5923 -2.2359 -2.2359 -2.1863 -2.1863 -0.3830 -0.3830 -0.1109 -0.1109 -0.0959 -0.0959 0.6833 0.6833 0.8532 0.8532 0.9419 0.9419 2.6519 2.6519 3.0469 3.0469 3.1425 3.1425 3.2458 3.2458 3.2903 3.2903 3.3737 3.3737 3.5020 3.5020 3.5707 3.5707 3.6370 3.6370 3.8074 3.8074 3.8838 3.8838 4.1192 4.1192 4.2390 4.2390 4.6594 4.6594 4.9386 4.9386 7.4354 7.4354 8.2198 8.2198 8.4629 8.4629 9.8928 9.8928 10.4089 10.4089 k = 0.4333 0.4041-0.0000 ( 10584 PWs) bands (ev): -14.7595 -14.7595 -13.4017 -13.4017 -13.2245 -13.2245 -3.5924 -3.5924 -2.2346 -2.2346 -2.1866 -2.1866 -0.3907 -0.3907 -0.1108 -0.1108 -0.0953 -0.0953 0.6885 0.6885 0.8504 0.8504 0.9403 0.9403 2.6651 2.6651 3.0402 3.0402 3.1464 3.1464 3.2404 3.2404 3.2982 3.2982 3.3754 3.3754 3.5074 3.5074 3.5662 3.5662 3.6378 3.6378 3.8070 3.8070 3.8898 3.8898 4.1255 4.1255 4.2433 4.2433 4.6552 4.6552 4.8962 4.8962 7.4794 7.4794 8.2244 8.2244 8.4583 8.4583 9.8431 9.8431 10.3241 10.3241 k = 0.4250 0.4186-0.0000 ( 10590 PWs) bands (ev): -14.7592 -14.7592 -13.3969 -13.3969 -13.2296 -13.2296 -3.5925 -3.5925 -2.2331 -2.2331 -2.1869 -2.1869 -0.3984 -0.3984 -0.1111 -0.1111 -0.0946 -0.0946 0.6942 0.6942 0.8474 0.8474 0.9382 0.9382 2.6797 2.6797 3.0332 3.0332 3.1496 3.1496 3.2355 3.2355 3.3059 3.3059 3.3771 3.3771 3.5133 3.5133 3.5617 3.5617 3.6387 3.6387 3.8069 3.8069 3.8969 3.8969 4.1321 4.1321 4.2469 4.2469 4.6506 4.6506 4.8522 4.8522 7.5248 7.5248 8.2304 8.2304 8.4534 8.4534 9.7946 9.7946 10.2406 10.2406 k = 0.4167 0.4330-0.0000 ( 10588 PWs) bands (ev): -14.7589 -14.7589 -13.3917 -13.3917 -13.2352 -13.2352 -3.5926 -3.5926 -2.2316 -2.2316 -2.1874 -2.1874 -0.4059 -0.4059 -0.1116 -0.1116 -0.0939 -0.0939 0.7004 0.7004 0.8442 0.8442 0.9356 0.9356 2.6958 2.6958 3.0258 3.0258 3.1516 3.1516 3.2316 3.2316 3.3131 3.3131 3.3791 3.3791 3.5198 3.5198 3.5574 3.5574 3.6396 3.6396 3.8074 3.8074 3.9049 3.9049 4.1387 4.1387 4.2491 4.2491 4.6454 4.6454 4.8080 4.8080 7.5702 7.5702 8.2380 8.2380 8.4485 8.4485 9.7483 9.7483 10.1594 10.1594 k = 0.4083 0.4474-0.0000 ( 10598 PWs) bands (ev): -14.7586 -14.7586 -13.3860 -13.3860 -13.2414 -13.2414 -3.5928 -3.5928 -2.2300 -2.2300 -2.1881 -2.1881 -0.4129 -0.4129 -0.1122 -0.1122 -0.0934 -0.0934 0.7070 0.7070 0.8410 0.8410 0.9322 0.9322 2.7132 2.7132 3.0177 3.0177 3.1522 3.1522 3.2288 3.2288 3.3191 3.3191 3.3818 3.3818 3.5262 3.5262 3.5541 3.5541 3.6404 3.6404 3.8085 3.8085 3.9139 3.9139 4.1452 4.1452 4.2492 4.2492 4.6396 4.6396 4.7651 4.7651 7.6143 7.6143 8.2476 8.2476 8.4436 8.4436 9.7050 9.7050 10.0813 10.0813 k = 0.4000 0.4619-0.0000 ( 10610 PWs) bands (ev): -14.7583 -14.7583 -13.3798 -13.3798 -13.2480 -13.2480 -3.5929 -3.5929 -2.2284 -2.2284 -2.1888 -2.1888 -0.4193 -0.4193 -0.1129 -0.1129 -0.0931 -0.0931 0.7139 0.7139 0.8379 0.8379 0.9281 0.9281 2.7318 2.7318 3.0091 3.0091 3.1514 3.1514 3.2275 3.2275 3.3235 3.3235 3.3855 3.3855 3.5313 3.5313 3.5529 3.5529 3.6409 3.6409 3.8104 3.8104 3.9240 3.9240 4.1515 4.1515 4.2462 4.2462 4.6330 4.6330 4.7254 4.7254 7.6557 7.6557 8.2594 8.2594 8.4386 8.4386 9.6657 9.6657 10.0067 10.0067 k = 0.3917 0.4763-0.0000 ( 10610 PWs) bands (ev): -14.7580 -14.7580 -13.3731 -13.3731 -13.2550 -13.2550 -3.5931 -3.5931 -2.2267 -2.2267 -2.1897 -2.1897 -0.4249 -0.4249 -0.1136 -0.1136 -0.0929 -0.0929 0.7209 0.7209 0.8352 0.8352 0.9231 0.9231 2.7515 2.7515 2.9996 2.9996 3.1491 3.1491 3.2277 3.2277 3.3259 3.3259 3.3901 3.3901 3.5333 3.5333 3.5555 3.5555 3.6411 3.6411 3.8130 3.8130 3.9351 3.9351 4.1574 4.1574 4.2394 4.2394 4.6249 4.6249 4.6909 4.6909 7.6931 7.6931 8.2735 8.2735 8.4338 8.4338 9.6310 9.6310 9.9362 9.9362 k = 0.3833 0.4907-0.0000 ( 10598 PWs) bands (ev): -14.7578 -14.7578 -13.3660 -13.3660 -13.2625 -13.2625 -3.5933 -3.5933 -2.2250 -2.2250 -2.1907 -2.1907 -0.4298 -0.4298 -0.1143 -0.1143 -0.0928 -0.0928 0.7277 0.7277 0.8332 0.8332 0.9173 0.9173 2.7721 2.7721 2.9893 2.9893 3.1455 3.1455 3.2293 3.2293 3.3267 3.3267 3.3955 3.3955 3.5327 3.5327 3.5617 3.5617 3.6410 3.6410 3.8165 3.8165 3.9473 3.9473 4.1628 4.1628 4.2278 4.2278 4.6144 4.6144 4.6643 4.6643 7.7256 7.7256 8.2899 8.2899 8.4290 8.4290 9.6020 9.6020 9.8703 9.8703 k = 0.3750 0.5052-0.0000 ( 10598 PWs) bands (ev): -14.7575 -14.7575 -13.3584 -13.3584 -13.2704 -13.2704 -3.5934 -3.5934 -2.2234 -2.2234 -2.1917 -2.1917 -0.4337 -0.4337 -0.1149 -0.1149 -0.0929 -0.0929 0.7340 0.7340 0.8323 0.8323 0.9106 0.9106 2.7934 2.7934 2.9780 2.9780 3.1412 3.1412 3.2317 3.2317 3.3261 3.3261 3.4010 3.4010 3.5310 3.5310 3.5692 3.5692 3.6405 3.6405 3.8206 3.8206 3.9607 3.9607 4.1674 4.1674 4.2113 4.2113 4.6013 4.6013 4.6468 4.6468 7.7524 7.7524 8.3079 8.3079 8.4243 8.4243 9.5796 9.5796 9.8095 9.8095 k = 0.3667 0.5196-0.0000 ( 10610 PWs) bands (ev): -14.7573 -14.7573 -13.3504 -13.3504 -13.2787 -13.2787 -3.5936 -3.5936 -2.2218 -2.2218 -2.1928 -2.1928 -0.4367 -0.4367 -0.1155 -0.1155 -0.0930 -0.0930 0.7393 0.7393 0.8330 0.8330 0.9031 0.9031 2.8149 2.8149 2.9658 2.9658 3.1365 3.1365 3.2347 3.2347 3.3247 3.3247 3.4063 3.4063 3.5293 3.5293 3.5770 3.5770 3.6397 3.6397 3.8252 3.8252 3.9750 3.9750 4.1703 4.1703 4.1912 4.1912 4.5883 4.5883 4.6362 4.6362 7.7734 7.7734 8.3266 8.3266 8.4198 8.4198 9.5646 9.5646 9.7541 9.7541 k = 0.3583 0.5340-0.0000 ( 10610 PWs) bands (ev): -14.7571 -14.7571 -13.3421 -13.3421 -13.2873 -13.2873 -3.5937 -3.5937 -2.2205 -2.2205 -2.1938 -2.1938 -0.4389 -0.4389 -0.1161 -0.1161 -0.0930 -0.0930 0.7433 0.7433 0.8357 0.8357 0.8949 0.8949 2.8364 2.8364 2.9526 2.9526 3.1319 3.1319 3.2377 3.2377 3.3228 3.3228 3.4109 3.4109 3.5280 3.5280 3.5843 3.5843 3.6386 3.6386 3.8298 3.8298 3.9899 3.9899 4.1621 4.1621 4.1787 4.1787 4.5781 4.5781 4.6295 4.6295 7.7886 7.7886 8.3445 8.3445 8.4154 8.4154 9.5578 9.5578 9.7046 9.7046 k = 0.3500 0.5485-0.0000 ( 10614 PWs) bands (ev): -14.7570 -14.7570 -13.3333 -13.3333 -13.2962 -13.2962 -3.5938 -3.5938 -2.2194 -2.2194 -2.1947 -2.1947 -0.4403 -0.4403 -0.1166 -0.1166 -0.0930 -0.0930 0.7459 0.7459 0.8405 0.8405 0.8861 0.8861 2.8569 2.8569 2.9389 2.9389 3.1279 3.1279 3.2403 3.2403 3.3210 3.3210 3.4146 3.4146 3.5271 3.5271 3.5903 3.5903 3.6374 3.6374 3.8340 3.8340 4.0046 4.0046 4.1399 4.1399 4.1793 4.1793 4.5715 4.5715 4.6252 4.6252 7.7987 7.7987 8.3597 8.3597 8.4116 8.4116 9.5600 9.5600 9.6615 9.6615 k = 0.3417 0.5629-0.0000 ( 10602 PWs) bands (ev): -14.7569 -14.7569 -13.3242 -13.3242 -13.3054 -13.3054 -3.5939 -3.5939 -2.2187 -2.2187 -2.1954 -2.1954 -0.4410 -0.4410 -0.1169 -0.1169 -0.0930 -0.0930 0.7472 0.7472 0.8466 0.8466 0.8778 0.8778 2.8747 2.8747 2.9257 2.9257 3.1251 3.1251 3.2422 3.2422 3.3197 3.3197 3.4169 3.4169 3.5266 3.5266 3.5945 3.5945 3.6363 3.6363 3.8370 3.8370 4.0165 4.0165 4.1210 4.1210 4.1804 4.1804 4.5682 4.5682 4.6227 4.6227 7.8042 7.8042 8.3699 8.3699 8.4090 8.4090 9.5711 9.5711 9.6255 9.6255 k = 0.3333 0.5774-0.0000 ( 10602 PWs) bands (ev): -14.7568 -14.7568 -13.3149 -13.3149 -13.3148 -13.3148 -3.5939 -3.5939 -2.2185 -2.2185 -2.1956 -2.1956 -0.4412 -0.4412 -0.1171 -0.1171 -0.0930 -0.0930 0.7475 0.7475 0.8504 0.8504 0.8732 0.8732 2.8835 2.8835 2.9187 2.9187 3.1240 3.1240 3.2428 3.2428 3.3192 3.3192 3.4178 3.4178 3.5264 3.5264 3.5961 3.5961 3.6358 3.6358 3.8382 3.8382 4.0213 4.0213 4.1134 4.1134 4.1808 4.1808 4.5672 4.5672 4.6218 4.6218 7.8058 7.8058 8.3734 8.3734 8.4083 8.4083 9.5850 9.5850 9.6034 9.6034 k = 0.3333 0.5774-0.0000 ( 10602 PWs) bands (ev): -14.7568 -14.7568 -13.3149 -13.3149 -13.3148 -13.3148 -3.5939 -3.5939 -2.2185 -2.2185 -2.1956 -2.1956 -0.4412 -0.4412 -0.1171 -0.1171 -0.0930 -0.0930 0.7475 0.7475 0.8504 0.8504 0.8732 0.8732 2.8835 2.8835 2.9187 2.9187 3.1240 3.1240 3.2428 3.2428 3.3192 3.3192 3.4178 3.4178 3.5264 3.5264 3.5961 3.5961 3.6358 3.6358 3.8382 3.8382 4.0213 4.0213 4.1134 4.1134 4.1808 4.1808 4.5672 4.5672 4.6218 4.6218 7.8058 7.8058 8.3734 8.3734 8.4083 8.4083 9.5850 9.5850 9.6034 9.6034 k = 0.3250 0.5629-0.0000 ( 10604 PWs) bands (ev): -14.7569 -14.7569 -13.3245 -13.3245 -13.3052 -13.3052 -3.5939 -3.5939 -2.2187 -2.2187 -2.1954 -2.1954 -0.4411 -0.4411 -0.1169 -0.1169 -0.0930 -0.0930 0.7473 0.7473 0.8457 0.8457 0.8786 0.8786 2.8750 2.8750 2.9251 2.9251 3.1253 3.1253 3.2422 3.2422 3.3197 3.3197 3.4169 3.4169 3.5266 3.5266 3.5944 3.5944 3.6364 3.6364 3.8369 3.8369 4.0173 4.0173 4.1207 4.1207 4.1804 4.1804 4.5680 4.5680 4.6227 4.6227 7.8044 7.8044 8.3706 8.3706 8.4081 8.4081 9.5701 9.5701 9.6265 9.6265 k = 0.3167 0.5485-0.0000 ( 10612 PWs) bands (ev): -14.7570 -14.7570 -13.3343 -13.3343 -13.2952 -13.2952 -3.5938 -3.5938 -2.2194 -2.2194 -2.1946 -2.1946 -0.4408 -0.4408 -0.1165 -0.1165 -0.0932 -0.0932 0.7473 0.7473 0.8358 0.8358 0.8903 0.8903 2.8580 2.8580 2.9354 2.9354 3.1293 3.1293 3.2406 3.2406 3.3207 3.3207 3.4140 3.4140 3.5269 3.5269 3.5894 3.5894 3.6382 3.6382 3.8332 3.8332 4.0097 4.0097 4.1384 4.1384 4.1794 4.1794 4.5699 4.5699 4.6254 4.6254 7.8005 7.8005 8.3639 8.3639 8.4060 8.4060 9.5557 9.5557 9.6650 9.6650 k = 0.3083 0.5340-0.0000 ( 10604 PWs) bands (ev): -14.7572 -14.7572 -13.3443 -13.3443 -13.2850 -13.2850 -3.5936 -3.5936 -2.2205 -2.2205 -2.1934 -2.1934 -0.4407 -0.4407 -0.1159 -0.1159 -0.0933 -0.0933 0.7478 0.7478 0.8246 0.8246 0.9047 0.9047 2.8380 2.8380 2.9435 2.9435 3.1358 3.1358 3.2388 3.2388 3.3215 3.3215 3.4094 3.4094 3.5275 3.5275 3.5817 3.5817 3.6409 3.6409 3.8277 3.8277 4.0033 4.0033 4.1599 4.1599 4.1792 4.1792 4.5726 4.5726 4.6299 4.6299 7.7946 7.7946 8.3548 8.3548 8.4004 8.4004 9.5481 9.5481 9.7117 9.7117 k = 0.3000 0.5196-0.0000 ( 10596 PWs) bands (ev): -14.7574 -14.7574 -13.3544 -13.3544 -13.2746 -13.2746 -3.5933 -3.5933 -2.2218 -2.2218 -2.1919 -2.1919 -0.4409 -0.4409 -0.1156 -0.1156 -0.0932 -0.0932 0.7492 0.7492 0.8130 0.8130 0.9206 0.9206 2.8161 2.8161 2.9480 2.9480 3.1435 3.1435 3.2383 3.2383 3.3206 3.3206 3.4038 3.4038 3.5281 3.5281 3.5726 3.5726 3.6443 3.6443 3.8217 3.8217 3.9994 3.9994 4.1692 4.1692 4.1934 4.1934 4.5762 4.5762 4.6362 4.6362 7.7873 7.7873 8.3440 8.3440 8.3912 8.3912 9.5478 9.5478 9.7649 9.7649 k = 0.2917 0.5052-0.0000 ( 10596 PWs) bands (ev): -14.7578 -14.7578 -13.3645 -13.3645 -13.2640 -13.2640 -3.5929 -3.5929 -2.2232 -2.2232 -2.1901 -2.1901 -0.4416 -0.4416 -0.1162 -0.1162 -0.0923 -0.0923 0.7518 0.7518 0.8015 0.8015 0.9377 0.9377 2.7928 2.7928 2.9490 2.9490 3.1498 3.1498 3.2410 3.2410 3.3158 3.3158 3.3988 3.3988 3.5284 3.5284 3.5636 3.5636 3.6483 3.6483 3.8162 3.8162 3.9976 3.9976 4.1667 4.1667 4.2199 4.2199 4.5807 4.5807 4.6445 4.6445 7.7790 7.7790 8.3318 8.3318 8.3787 8.3787 9.5545 9.5545 9.8234 9.8234 k = 0.2833 0.4907-0.0000 ( 10588 PWs) bands (ev): -14.7582 -14.7582 -13.3747 -13.3747 -13.2532 -13.2532 -3.5924 -3.5924 -2.2246 -2.2246 -2.1880 -2.1880 -0.4431 -0.4431 -0.1185 -0.1185 -0.0901 -0.0901 0.7560 0.7560 0.7906 0.7906 0.9558 0.9558 2.7681 2.7681 2.9471 2.9471 3.1522 3.1522 3.2481 3.2481 3.3056 3.3056 3.3967 3.3967 3.5275 3.5275 3.5562 3.5562 3.6527 3.6527 3.8118 3.8118 3.9971 3.9971 4.1624 4.1624 4.2479 4.2479 4.5862 4.5862 4.6548 4.6548 7.7699 7.7699 8.3187 8.3187 8.3636 8.3636 9.5679 9.5679 9.8858 9.8858 k = 0.2750 0.4763-0.0000 ( 10608 PWs) bands (ev): -14.7587 -14.7587 -13.3849 -13.3849 -13.2423 -13.2423 -3.5917 -3.5917 -2.2258 -2.2258 -2.1858 -2.1858 -0.4455 -0.4455 -0.1230 -0.1230 -0.0864 -0.0864 0.7617 0.7617 0.7811 0.7811 0.9748 0.9748 2.7421 2.7421 2.9429 2.9429 3.1497 3.1497 3.2566 3.2566 3.2926 3.2926 3.3983 3.3983 3.5245 3.5245 3.5522 3.5522 3.6578 3.6578 3.8088 3.8088 3.9969 3.9969 4.1575 4.1575 4.2755 4.2755 4.5929 4.5929 4.6675 4.6675 7.7603 7.7603 8.3050 8.3050 8.3464 8.3464 9.5875 9.5875 9.9508 9.9508 k = 0.2667 0.4619-0.0000 ( 10612 PWs) bands (ev): -14.7594 -14.7594 -13.3951 -13.3951 -13.2314 -13.2314 -3.5909 -3.5909 -2.2269 -2.2269 -2.1834 -2.1834 -0.4488 -0.4488 -0.1297 -0.1297 -0.0817 -0.0817 0.7659 0.7659 0.7764 0.7764 0.9945 0.9945 2.7150 2.7150 2.9369 2.9369 3.1431 3.1431 3.2495 3.2495 3.2931 3.2931 3.4031 3.4031 3.5196 3.5196 3.5517 3.5517 3.6633 3.6633 3.8070 3.8070 3.9963 3.9963 4.1523 4.1523 4.3016 4.3016 4.6009 4.6009 4.6830 4.6830 7.7503 7.7503 8.2908 8.2908 8.3279 8.3279 9.6130 9.6130 10.0175 10.0175 k = 0.2583 0.4474-0.0000 ( 10618 PWs) bands (ev): -14.7601 -14.7601 -13.4052 -13.4052 -13.2203 -13.2203 -3.5899 -3.5899 -2.2276 -2.2276 -2.1808 -2.1808 -0.4532 -0.4532 -0.1384 -0.1384 -0.0763 -0.0763 0.7620 0.7620 0.7837 0.7837 1.0150 1.0150 2.6867 2.6867 2.9296 2.9296 3.1337 3.1337 3.2255 3.2255 3.3085 3.3085 3.4103 3.4103 3.5138 3.5138 3.5535 3.5535 3.6695 3.6695 3.8063 3.8063 3.9950 3.9950 4.1471 4.1471 4.3252 4.3252 4.6102 4.6102 4.7016 4.7016 7.7399 7.7399 8.2764 8.2764 8.3087 8.3087 9.6435 9.6435 10.0846 10.0846 k = 0.2500 0.4330-0.0000 ( 10618 PWs) bands (ev): -14.7609 -14.7609 -13.4152 -13.4152 -13.2092 -13.2092 -3.5888 -3.5888 -2.2279 -2.2279 -2.1781 -2.1781 -0.4585 -0.4585 -0.1493 -0.1493 -0.0708 -0.0708 0.7575 0.7575 0.7961 0.7961 1.0361 1.0361 2.6573 2.6573 2.9213 2.9213 3.1223 3.1223 3.1964 3.1964 3.3264 3.3264 3.4192 3.4192 3.5082 3.5082 3.5567 3.5567 3.6764 3.6764 3.8064 3.8064 3.9925 3.9925 4.1421 4.1421 4.3458 4.3458 4.6211 4.6211 4.7237 4.7237 7.7293 7.7293 8.2622 8.2622 8.2897 8.2897 9.6785 9.6785 10.1513 10.1513 k = 0.2417 0.4186-0.0000 ( 10616 PWs) bands (ev): -14.7618 -14.7618 -13.4252 -13.4252 -13.1981 -13.1981 -3.5874 -3.5874 -2.2278 -2.2278 -2.1752 -2.1752 -0.4648 -0.4648 -0.1621 -0.1621 -0.0657 -0.0657 0.7550 0.7550 0.8114 0.8114 1.0578 1.0578 2.6268 2.6268 2.9123 2.9123 3.1096 3.1096 3.1657 3.1657 3.3435 3.3435 3.4291 3.4291 3.5036 3.5036 3.5608 3.5608 3.6838 3.6838 3.8072 3.8072 3.9887 3.9887 4.1375 4.1375 4.3628 4.3628 4.6336 4.6336 4.7494 4.7494 7.7182 7.7182 8.2482 8.2482 8.2716 8.2716 9.7170 9.7170 10.2166 10.2166 k = 0.2333 0.4041-0.0000 ( 10620 PWs) bands (ev): -14.7629 -14.7629 -13.4350 -13.4350 -13.1870 -13.1870 -3.5859 -3.5859 -2.2273 -2.2273 -2.1722 -2.1722 -0.4720 -0.4720 -0.1769 -0.1769 -0.0614 -0.0614 0.7554 0.7554 0.8292 0.8292 1.0801 1.0801 2.5955 2.5955 2.9027 2.9027 3.0956 3.0956 3.1347 3.1347 3.3582 3.3582 3.4388 3.4388 3.5009 3.5009 3.5657 3.5657 3.6920 3.6920 3.8084 3.8084 3.9835 3.9835 4.1334 4.1334 4.3759 4.3759 4.6479 4.6479 4.7786 4.7786 7.7064 7.7064 8.2348 8.2348 8.2551 8.2551 9.7583 9.7583 10.2797 10.2797 k = 0.2250 0.3897-0.0000 ( 10612 PWs) bands (ev): -14.7640 -14.7640 -13.4446 -13.4446 -13.1760 -13.1760 -3.5842 -3.5842 -2.2262 -2.2262 -2.1690 -2.1690 -0.4801 -0.4801 -0.1935 -0.1935 -0.0585 -0.0585 0.7590 0.7590 0.8494 0.8494 1.1029 1.1029 2.5633 2.5633 2.8926 2.8926 3.0801 3.0801 3.1048 3.1048 3.3701 3.3701 3.4463 3.4463 3.5014 3.5014 3.5712 3.5712 3.7007 3.7007 3.8100 3.8100 3.9768 3.9768 4.1302 4.1302 4.3852 4.3852 4.6643 4.6643 4.8109 4.8109 7.6937 7.6937 8.2223 8.2223 8.2408 8.2408 9.8014 9.8014 10.3398 10.3398 k = 0.2167 0.3753-0.0000 ( 10606 PWs) bands (ev): -14.7652 -14.7652 -13.4541 -13.4541 -13.1651 -13.1651 -3.5823 -3.5823 -2.2246 -2.2246 -2.1657 -2.1657 -0.4889 -0.4889 -0.2119 -0.2119 -0.0572 -0.0572 0.7663 0.7663 0.8719 0.8719 1.1261 1.1261 2.5305 2.5305 2.8821 2.8821 3.0614 3.0614 3.0784 3.0784 3.3793 3.3793 3.4496 3.4496 3.5064 3.5064 3.5775 3.5775 3.7100 3.7100 3.8119 3.8119 3.9688 3.9688 4.1278 4.1278 4.3907 4.3907 4.6830 4.6830 4.8458 4.8458 7.6798 7.6798 8.2113 8.2113 8.2291 8.2291 9.8450 9.8450 10.3962 10.3962 k = 0.2083 0.3608-0.0000 ( 10600 PWs) bands (ev): -14.7664 -14.7664 -13.4633 -13.4633 -13.1542 -13.1542 -3.5802 -3.5802 -2.2224 -2.2224 -2.1622 -2.1622 -0.4983 -0.4983 -0.2319 -0.2319 -0.0578 -0.0578 0.7772 0.7772 0.8965 0.8965 1.1498 1.1498 2.4972 2.4972 2.8714 2.8714 3.0370 3.0370 3.0582 3.0582 3.3860 3.3860 3.4487 3.4487 3.5147 3.5147 3.5846 3.5846 3.7196 3.7196 3.8139 3.8139 3.9596 3.9596 4.1265 4.1265 4.3928 4.3928 4.7040 4.7040 4.8826 4.8826 7.6643 7.6643 8.2026 8.2026 8.2200 8.2200 9.8878 9.8878 10.4482 10.4482 k = 0.2000 0.3464-0.0000 ( 10596 PWs) bands (ev): -14.7678 -14.7678 -13.4723 -13.4723 -13.1436 -13.1436 -3.5779 -3.5779 -2.2196 -2.2196 -2.1585 -2.1585 -0.5083 -0.5083 -0.2533 -0.2533 -0.0605 -0.0605 0.7921 0.7921 0.9232 0.9232 1.1738 1.1738 2.4635 2.4635 2.8604 2.8604 3.0101 3.0101 3.0414 3.0414 3.3906 3.3906 3.4451 3.4451 3.5243 3.5243 3.5925 3.5925 3.7293 3.7293 3.8159 3.8159 3.9494 3.9494 4.1263 4.1263 4.3918 4.3918 4.7275 4.7275 4.9208 4.9208 7.6469 7.6469 8.1963 8.1963 8.2142 8.2142 9.9282 9.9282 10.4953 10.4953 k = 0.1917 0.3320-0.0000 ( 10602 PWs) bands (ev): -14.7692 -14.7692 -13.4811 -13.4811 -13.1331 -13.1331 -3.5754 -3.5754 -2.2163 -2.2163 -2.1546 -2.1546 -0.5188 -0.5188 -0.2761 -0.2761 -0.0654 -0.0654 0.8108 0.8108 0.9515 0.9515 1.1982 1.1982 2.4296 2.4296 2.8492 2.8492 2.9835 2.9835 3.0254 3.0254 3.3933 3.3933 3.4399 3.4399 3.5333 3.5333 3.6012 3.6012 3.7389 3.7389 3.8179 3.8179 3.9384 3.9384 4.1275 4.1275 4.3880 4.3880 4.7535 4.7535 4.9598 4.9598 7.6274 7.6274 8.1920 8.1920 8.2127 8.2127 9.9642 9.9642 10.5370 10.5370 k = 0.1833 0.3175-0.0000 ( 10590 PWs) bands (ev): -14.7707 -14.7707 -13.4895 -13.4895 -13.1228 -13.1228 -3.5728 -3.5728 -2.2124 -2.2124 -2.1505 -2.1505 -0.5298 -0.5298 -0.3000 -0.3000 -0.0723 -0.0723 0.8332 0.8332 0.9814 0.9814 1.2228 1.2228 2.3958 2.3958 2.8378 2.8378 2.9579 2.9579 3.0096 3.0096 3.3944 3.3944 3.4340 3.4340 3.5412 3.5412 3.6104 3.6104 3.7479 3.7479 3.8197 3.8197 3.9269 3.9269 4.1302 4.1302 4.3819 4.3819 4.7820 4.7820 4.9991 4.9991 7.6058 7.6058 8.1887 8.1887 8.2169 8.2169 9.9935 9.9935 10.5730 10.5730 k = 0.1750 0.3031-0.0000 ( 10578 PWs) bands (ev): -14.7722 -14.7722 -13.4977 -13.4977 -13.1127 -13.1127 -3.5700 -3.5700 -2.2079 -2.2079 -2.1463 -2.1463 -0.5410 -0.5410 -0.3248 -0.3248 -0.0811 -0.0811 0.8591 0.8591 1.0126 1.0126 1.2477 1.2477 2.3621 2.3621 2.8263 2.8263 2.9334 2.9334 2.9940 2.9940 3.3940 3.3940 3.4275 3.4275 3.5477 3.5477 3.6196 3.6196 3.7561 3.7561 3.8213 3.8213 3.9150 3.9150 4.1345 4.1345 4.3738 4.3738 4.8128 4.8128 5.0382 5.0382 7.5822 7.5822 8.1864 8.1864 8.2272 8.2272 10.0137 10.0137 10.6029 10.6029 k = 0.1667 0.2887-0.0000 ( 10566 PWs) bands (ev): -14.7737 -14.7737 -13.5056 -13.5056 -13.1029 -13.1029 -3.5670 -3.5670 -2.2029 -2.2029 -2.1418 -2.1418 -0.5526 -0.5526 -0.3503 -0.3503 -0.0916 -0.0916 0.8881 0.8881 1.0449 1.0449 1.2728 1.2728 2.3288 2.3288 2.8146 2.8146 2.9101 2.9101 2.9786 2.9786 3.3923 3.3923 3.4207 3.4207 3.5529 3.5529 3.6286 3.6286 3.7632 3.7632 3.8222 3.8222 3.9033 3.9033 4.1403 4.1403 4.3639 4.3639 4.8460 4.8460 5.0768 5.0768 7.5566 7.5566 8.1849 8.1849 8.2435 8.2435 10.0226 10.0226 10.6268 10.6268 k = 0.1583 0.2742-0.0000 ( 10574 PWs) bands (ev): -14.7753 -14.7753 -13.5132 -13.5132 -13.0934 -13.0934 -3.5640 -3.5640 -2.1974 -2.1974 -2.1372 -2.1372 -0.5643 -0.5643 -0.3763 -0.3763 -0.1036 -0.1036 0.9200 0.9200 1.0779 1.0779 1.2980 1.2980 2.2960 2.2960 2.8029 2.8029 2.8880 2.8880 2.9633 2.9633 3.3894 3.3894 3.4136 3.4136 3.5571 3.5571 3.6370 3.6370 3.7689 3.7689 3.8225 3.8225 3.8920 3.8920 4.1476 4.1476 4.3526 4.3526 4.8812 4.8812 5.1145 5.1145 7.5295 7.5295 8.1846 8.1846 8.2658 8.2658 10.0187 10.0187 10.6446 10.6446 k = 0.1500 0.2598-0.0000 ( 10576 PWs) bands (ev): -14.7769 -14.7769 -13.5204 -13.5204 -13.0841 -13.0841 -3.5608 -3.5608 -2.1915 -2.1915 -2.1323 -2.1323 -0.5762 -0.5762 -0.4027 -0.4027 -0.1167 -0.1167 0.9543 0.9543 1.1115 1.1115 1.3234 1.3234 2.2639 2.2639 2.7912 2.7912 2.8670 2.8670 2.9482 2.9482 3.3853 3.3853 3.4064 3.4064 3.5604 3.5604 3.6445 3.6445 3.7729 3.7729 3.8220 3.8220 3.8817 3.8817 4.1562 4.1562 4.3403 4.3403 4.9183 4.9183 5.1511 5.1511 7.5011 7.5011 8.1852 8.1852 8.2937 8.2937 10.0020 10.0020 10.6567 10.6567 k = 0.1417 0.2454-0.0000 ( 10572 PWs) bands (ev): -14.7786 -14.7786 -13.5273 -13.5273 -13.0753 -13.0753 -3.5575 -3.5575 -2.1853 -2.1853 -2.1272 -2.1272 -0.5881 -0.5881 -0.4292 -0.4292 -0.1306 -0.1306 0.9906 0.9906 1.1453 1.1453 1.3488 1.3488 2.2327 2.2327 2.7794 2.7794 2.8471 2.8471 2.9334 2.9334 3.3804 3.3804 3.3991 3.3991 3.5629 3.5629 3.6509 3.6509 3.7749 3.7749 3.8207 3.8207 3.8732 3.8732 4.1657 4.1657 4.3270 4.3270 4.9571 4.9571 5.1863 5.1863 7.4718 7.4718 8.1868 8.1868 8.3270 8.3270 9.9739 9.9739 10.6636 10.6636 k = 0.1333 0.2309-0.0000 ( 10588 PWs) bands (ev): -14.7802 -14.7802 -13.5339 -13.5339 -13.0668 -13.0668 -3.5542 -3.5542 -2.1788 -2.1788 -2.1218 -2.1218 -0.6001 -0.6001 -0.4557 -0.4557 -0.1451 -0.1451 1.0284 1.0284 1.1790 1.1790 1.3741 1.3741 2.2024 2.2024 2.7677 2.7677 2.8282 2.8282 2.9190 2.9190 3.3746 3.3746 3.3916 3.3916 3.5648 3.5648 3.6560 3.6560 3.7741 3.7741 3.8194 3.8194 3.8666 3.8666 4.1760 4.1760 4.3133 4.3133 4.9972 4.9972 5.2200 5.2200 7.4421 7.4421 8.1893 8.1893 8.3655 8.3655 9.9367 9.9367 10.6653 10.6653 k = 0.1250 0.2165-0.0000 ( 10604 PWs) bands (ev): -14.7818 -14.7818 -13.5401 -13.5401 -13.0587 -13.0587 -3.5509 -3.5509 -2.1721 -2.1721 -2.1163 -2.1163 -0.6120 -0.6120 -0.4818 -0.4818 -0.1599 -0.1599 1.0675 1.0675 1.2124 1.2124 1.3994 1.3994 2.1731 2.1731 2.7560 2.7560 2.8103 2.8103 2.9049 2.9049 3.3683 3.3683 3.3841 3.3841 3.5661 3.5661 3.6595 3.6595 3.7703 3.7703 3.8188 3.8188 3.8620 3.8620 4.1865 4.1865 4.2994 4.2994 5.0383 5.0383 5.2519 5.2519 7.4123 7.4123 8.1924 8.1924 8.4089 8.4089 9.8929 9.8929 10.6577 10.6577 k = 0.1167 0.2021-0.0000 ( 10598 PWs) bands (ev): -14.7833 -14.7833 -13.5459 -13.5459 -13.0509 -13.0509 -3.5476 -3.5476 -2.1654 -2.1654 -2.1105 -2.1105 -0.6238 -0.6238 -0.5076 -0.5076 -0.1747 -0.1747 1.1074 1.1074 1.2451 1.2451 1.4246 1.4246 2.1451 2.1451 2.7444 2.7444 2.7934 2.7934 2.8914 2.8914 3.3615 3.3615 3.3764 3.3764 3.5669 3.5669 3.6612 3.6612 3.7640 3.7640 3.8195 3.8195 3.8589 3.8589 4.1968 4.1968 4.2857 4.2857 5.0801 5.0801 5.2820 5.2820 7.3828 7.3828 8.1959 8.1959 8.4571 8.4571 9.8450 9.8450 10.6055 10.6055 k = 0.1083 0.1876-0.0000 ( 10598 PWs) bands (ev): -14.7849 -14.7849 -13.5513 -13.5513 -13.0437 -13.0437 -3.5444 -3.5444 -2.1587 -2.1587 -2.1045 -2.1045 -0.6354 -0.6354 -0.5326 -0.5326 -0.1892 -0.1892 1.1476 1.1476 1.2768 1.2768 1.4495 1.4495 2.1183 2.1183 2.7330 2.7330 2.7774 2.7774 2.8783 2.8783 3.3544 3.3544 3.3686 3.3686 3.5671 3.5671 3.6608 3.6608 3.7564 3.7564 3.8213 3.8213 3.8568 3.8568 4.2062 4.2062 4.2729 4.2729 5.1221 5.1221 5.3101 5.3101 7.3539 7.3539 8.1996 8.1996 8.5097 8.5097 9.7951 9.7951 10.5302 10.5302 k = 0.1000 0.1732-0.0000 ( 10598 PWs) bands (ev): -14.7863 -14.7863 -13.5564 -13.5564 -13.0369 -13.0369 -3.5412 -3.5412 -2.1522 -2.1522 -2.0983 -2.0983 -0.6468 -0.6468 -0.5568 -0.5568 -0.2034 -0.2034 1.1878 1.1878 1.3072 1.3072 1.4741 1.4741 2.0929 2.0929 2.7218 2.7218 2.7623 2.7623 2.8659 2.8659 3.3473 3.3473 3.3607 3.3607 3.5669 3.5669 3.6582 3.6582 3.7489 3.7489 3.8238 3.8238 3.8554 3.8554 4.2133 4.2133 4.2623 4.2623 5.1639 5.1639 5.3362 5.3362 7.3259 7.3259 8.2034 8.2034 8.5665 8.5665 9.7450 9.7450 10.4525 10.4525 k = 0.0917 0.1588-0.0000 ( 10596 PWs) bands (ev): -14.7877 -14.7877 -13.5610 -13.5610 -13.0305 -13.0305 -3.5381 -3.5381 -2.1459 -2.1459 -2.0920 -2.0920 -0.6578 -0.6578 -0.5799 -0.5799 -0.2170 -0.2170 1.2274 1.2274 1.3362 1.3362 1.4983 1.4983 2.0689 2.0689 2.7109 2.7109 2.7481 2.7481 2.8542 2.8542 3.3401 3.3401 3.3529 3.3529 3.5663 3.5663 3.6533 3.6533 3.7423 3.7423 3.8268 3.8268 3.8544 3.8544 4.2156 4.2156 4.2567 4.2567 5.2050 5.2050 5.3603 5.3603 7.2992 7.2992 8.2069 8.2069 8.6272 8.6272 9.6959 9.6959 10.3739 10.3739 k = 0.0833 0.1443-0.0000 ( 10602 PWs) bands (ev): -14.7890 -14.7890 -13.5653 -13.5653 -13.0246 -13.0246 -3.5351 -3.5351 -2.1399 -2.1399 -2.0857 -2.0857 -0.6684 -0.6684 -0.6017 -0.6017 -0.2298 -0.2298 1.2662 1.2662 1.3633 1.3633 1.5217 1.5217 2.0464 2.0464 2.7003 2.7003 2.7348 2.7348 2.8431 2.8431 3.3330 3.3330 3.3452 3.3452 3.5652 3.5652 3.6464 3.6464 3.7370 3.7370 3.8299 3.8299 3.8537 3.8537 4.2112 4.2112 4.2577 4.2577 5.2449 5.2449 5.3824 5.3824 7.2739 7.2739 8.2099 8.2099 8.6915 8.6915 9.6491 9.6491 10.2948 10.2948 k = 0.0750 0.1299-0.0000 ( 10612 PWs) bands (ev): -14.7903 -14.7903 -13.5692 -13.5692 -13.0193 -13.0193 -3.5323 -3.5323 -2.1344 -2.1344 -2.0794 -2.0794 -0.6784 -0.6784 -0.6221 -0.6221 -0.2417 -0.2417 1.3035 1.3035 1.3884 1.3884 1.5443 1.5443 2.0254 2.0254 2.6901 2.6901 2.7225 2.7225 2.8329 2.8329 3.3262 3.3262 3.3377 3.3377 3.5637 3.5637 3.6382 3.6382 3.7331 3.7331 3.8331 3.8331 3.8532 3.8532 4.2027 4.2027 4.2629 4.2629 5.2830 5.2830 5.4025 5.4025 7.2504 7.2504 8.2124 8.2124 8.7590 8.7590 9.6054 9.6054 10.2151 10.2151 k = 0.0667 0.1155-0.0000 ( 10612 PWs) bands (ev): -14.7914 -14.7914 -13.5726 -13.5726 -13.0145 -13.0145 -3.5298 -3.5298 -2.1293 -2.1293 -2.0733 -2.0733 -0.6879 -0.6879 -0.6408 -0.6408 -0.2526 -0.2526 1.3389 1.3389 1.4114 1.4114 1.5657 1.5657 2.0061 2.0061 2.6804 2.6804 2.7111 2.7111 2.8236 2.8236 3.3197 3.3197 3.3306 3.3306 3.5618 3.5618 3.6293 3.6293 3.7302 3.7302 3.8362 3.8362 3.8528 3.8528 4.1930 4.1930 4.2695 4.2695 5.3187 5.3187 5.4207 5.4207 7.2288 7.2288 8.2142 8.2142 8.8296 8.8296 9.5656 9.5656 10.1349 10.1349 k = 0.0583 0.1010-0.0000 ( 10611 PWs) bands (ev): -14.7924 -14.7924 -13.5757 -13.5757 -13.0102 -13.0102 -3.5274 -3.5274 -2.1247 -2.1247 -2.0674 -2.0674 -0.6968 -0.6968 -0.6576 -0.6576 -0.2625 -0.2625 1.3718 1.3718 1.4322 1.4322 1.5857 1.5857 1.9884 1.9884 2.6714 2.6714 2.7009 2.7009 2.8152 2.8152 3.3137 3.3137 3.3239 3.3239 3.5594 3.5594 3.6207 3.6207 3.7281 3.7281 3.8391 3.8391 3.8524 3.8524 4.1835 4.1835 4.2760 4.2760 5.3515 5.3515 5.4370 5.4370 7.2094 7.2094 8.2153 8.2153 8.9028 8.9028 9.5300 9.5300 10.0542 10.0542 k = 0.0500 0.0866-0.0000 ( 10609 PWs) bands (ev): -14.7933 -14.7933 -13.5784 -13.5784 -13.0064 -13.0064 -3.5253 -3.5253 -2.1207 -2.1207 -2.0620 -2.0620 -0.7049 -0.7049 -0.6723 -0.6723 -0.2711 -0.2711 1.4018 1.4018 1.4507 1.4507 1.6039 1.6039 1.9726 1.9726 2.6631 2.6631 2.6917 2.6917 2.8078 2.8078 3.3082 3.3082 3.3178 3.3178 3.5566 3.5566 3.6127 3.6127 3.7266 3.7266 3.8418 3.8418 3.8522 3.8522 4.1748 4.1748 4.2821 4.2821 5.3807 5.3807 5.4516 5.4516 7.1922 7.1922 8.2156 8.2156 8.9784 8.9784 9.4991 9.4991 9.9730 9.9730 k = 0.0417 0.0722-0.0000 ( 10617 PWs) bands (ev): -14.7941 -14.7941 -13.5806 -13.5806 -13.0032 -13.0032 -3.5235 -3.5235 -2.1173 -2.1173 -2.0571 -2.0571 -0.7122 -0.7122 -0.6849 -0.6849 -0.2785 -0.2785 1.4280 1.4280 1.4669 1.4669 1.6200 1.6200 1.9587 1.9587 2.6557 2.6557 2.6838 2.6838 2.8015 2.8015 3.3034 3.3034 3.3124 3.3124 3.5535 3.5535 3.6059 3.6059 3.7255 3.7255 3.8440 3.8440 3.8521 3.8521 4.1672 4.1672 4.2875 4.2875 5.4056 5.4056 5.4648 5.4648 7.1774 7.1774 8.2154 8.2154 9.0558 9.0558 9.4730 9.4730 9.8913 9.8913 k = 0.0333 0.0577-0.0000 ( 10629 PWs) bands (ev): -14.7948 -14.7948 -13.5825 -13.5825 -13.0006 -13.0006 -3.5220 -3.5220 -2.1144 -2.1144 -2.0529 -2.0529 -0.7187 -0.7187 -0.6950 -0.6950 -0.2846 -0.2846 1.4498 1.4498 1.4810 1.4810 1.6337 1.6337 1.9468 1.9468 2.6494 2.6494 2.6772 2.6772 2.7963 2.7963 3.2992 3.2992 3.3078 3.3078 3.5503 3.5503 3.6004 3.6004 3.7246 3.7246 3.8459 3.8459 3.8521 3.8521 4.1607 4.1607 4.2920 4.2920 5.4257 5.4257 5.4765 5.4765 7.1652 7.1652 8.2148 8.2148 9.1347 9.1347 9.4519 9.4519 9.8092 9.8092 k = 0.0250 0.0433-0.0000 ( 10621 PWs) bands (ev): -14.7953 -14.7953 -13.5839 -13.5839 -12.9986 -12.9986 -3.5208 -3.5208 -2.1122 -2.1122 -2.0495 -2.0495 -0.7240 -0.7240 -0.7027 -0.7027 -0.2894 -0.2894 1.4665 1.4665 1.4931 1.4931 1.6447 1.6447 1.9372 1.9372 2.6442 2.6442 2.6720 2.6720 2.7922 2.7922 3.2959 3.2959 3.3042 3.3042 3.5473 3.5473 3.5964 3.5964 3.7240 3.7240 3.8472 3.8472 3.8521 3.8521 4.1557 4.1557 4.2955 4.2955 5.4407 5.4407 5.4867 5.4867 7.1556 7.1556 8.2140 8.2140 9.2144 9.2144 9.4355 9.4355 9.7273 9.7273 k = 0.0167 0.0289-0.0000 ( 10601 PWs) bands (ev): -14.7956 -14.7956 -13.5849 -13.5849 -12.9971 -12.9971 -3.5199 -3.5199 -2.1106 -2.1106 -2.0470 -2.0470 -0.7282 -0.7282 -0.7080 -0.7080 -0.2929 -0.2929 1.4779 1.4779 1.5027 1.5027 1.6528 1.6528 1.9302 1.9302 2.6404 2.6404 2.6682 2.6682 2.7892 2.7892 3.2935 3.2935 3.3015 3.3015 3.5449 3.5449 3.5936 3.5936 3.7236 3.7236 3.8481 3.8481 3.8523 3.8523 4.1520 4.1520 4.2981 4.2981 5.4509 5.4509 5.4948 5.4948 7.1487 7.1487 8.2132 8.2132 9.2939 9.2939 9.4241 9.4241 9.6464 9.6464 k = 0.0083 0.0144-0.0000 ( 10605 PWs) bands (ev): -14.7959 -14.7959 -13.5855 -13.5855 -12.9962 -12.9962 -3.5194 -3.5194 -2.1096 -2.1096 -2.0455 -2.0455 -0.7308 -0.7308 -0.7112 -0.7112 -0.2949 -0.2949 1.4844 1.4844 1.5090 1.5090 1.6577 1.6577 1.9259 1.9259 2.6381 2.6381 2.6659 2.6659 2.7874 2.7874 3.2920 3.2920 3.2999 3.2999 3.5433 3.5433 3.5920 3.5920 3.7234 3.7234 3.8486 3.8486 3.8525 3.8525 4.1498 4.1498 4.2996 4.2996 5.4566 5.4566 5.5000 5.5000 7.1445 7.1445 8.2127 8.2127 9.3692 9.3692 9.4174 9.4174 9.5700 9.5700 k = 0.0000 0.0000 0.0000 ( 10619 PWs) bands (ev): -14.7959 -14.7959 -13.5857 -13.5857 -12.9959 -12.9959 -3.5192 -3.5192 -2.1093 -2.1093 -2.0450 -2.0450 -0.7316 -0.7316 -0.7122 -0.7122 -0.2956 -0.2956 1.4865 1.4865 1.5113 1.5113 1.6593 1.6593 1.9244 1.9244 2.6373 2.6373 2.6651 2.6651 2.7868 2.7868 3.2915 3.2915 3.2993 3.2993 3.5428 3.5428 3.5914 3.5914 3.7233 3.7233 3.8487 3.8487 3.8526 3.8526 4.1490 4.1490 4.3001 4.3001 5.4585 5.4585 5.5019 5.5019 7.1431 7.1431 8.2125 8.2125 9.4101 9.4101 9.4194 9.4194 9.5246 9.5246 k = 0.0000 0.0000 0.0000 ( 10619 PWs) bands (ev): -14.7959 -14.7959 -13.5857 -13.5857 -12.9959 -12.9959 -3.5192 -3.5192 -2.1093 -2.1093 -2.0450 -2.0450 -0.7316 -0.7316 -0.7122 -0.7122 -0.2956 -0.2956 1.4865 1.4865 1.5113 1.5113 1.6593 1.6593 1.9244 1.9244 2.6373 2.6373 2.6651 2.6651 2.7868 2.7868 3.2915 3.2915 3.2993 3.2993 3.5428 3.5428 3.5914 3.5914 3.7233 3.7233 3.8487 3.8487 3.8526 3.8526 4.1490 4.1490 4.3001 4.3001 5.4585 5.4585 5.5019 5.5019 7.1431 7.1431 8.2125 8.2125 9.4101 9.4101 9.4194 9.4194 9.5246 9.5246 k = 0.0000 0.0000 0.0166 ( 10601 PWs) bands (ev): -14.7959 -14.7959 -13.5858 -13.5858 -12.9959 -12.9959 -3.5193 -3.5193 -2.1097 -2.1097 -2.0450 -2.0450 -0.7313 -0.7313 -0.7120 -0.7120 -0.2955 -0.2955 1.4861 1.4861 1.5108 1.5108 1.6573 1.6573 1.9269 1.9269 2.6373 2.6373 2.6652 2.6652 2.7871 2.7871 3.2917 3.2917 3.2995 3.2995 3.5429 3.5429 3.5915 3.5915 3.7233 3.7233 3.8487 3.8487 3.8526 3.8526 4.1491 4.1491 4.3002 4.3002 5.4587 5.4587 5.5021 5.5021 7.1433 7.1433 8.2139 8.2139 9.4024 9.4024 9.4114 9.4114 9.5262 9.5262 k = 0.0000 0.0000 0.0333 ( 10601 PWs) bands (ev): -14.7957 -14.7957 -13.5861 -13.5861 -12.9957 -12.9957 -3.5197 -3.5197 -2.1110 -2.1110 -2.0452 -2.0452 -0.7303 -0.7303 -0.7112 -0.7112 -0.2953 -0.2953 1.4848 1.4848 1.5092 1.5092 1.6516 1.6516 1.9341 1.9341 2.6374 2.6374 2.6653 2.6653 2.7879 2.7879 3.2922 3.2922 3.3000 3.3000 3.5432 3.5432 3.5918 3.5918 3.7233 3.7233 3.8488 3.8488 3.8526 3.8526 4.1494 4.1494 4.3002 4.3002 5.4594 5.4594 5.5028 5.5028 7.1440 7.1440 8.2179 8.2179 9.3802 9.3802 9.3883 9.3883 9.5310 9.5310 k = 0.0000 0.0000 0.0499 ( 10583 PWs) bands (ev): -14.7955 -14.7955 -13.5866 -13.5866 -12.9955 -12.9955 -3.5203 -3.5203 -2.1130 -2.1130 -2.0454 -2.0454 -0.7287 -0.7287 -0.7100 -0.7100 -0.2949 -0.2949 1.4826 1.4826 1.5068 1.5068 1.6425 1.6425 1.9454 1.9454 2.6375 2.6375 2.6655 2.6655 2.7893 2.7893 3.2931 3.2931 3.3009 3.3009 3.5437 3.5437 3.5923 3.5923 3.7234 3.7234 3.8489 3.8489 3.8526 3.8526 4.1498 4.1498 4.3002 4.3002 5.4605 5.4605 5.5039 5.5039 7.1451 7.1451 8.2245 8.2245 9.3453 9.3453 9.3520 9.3520 9.5389 9.5389 k = 0.0000 0.0000 0.0665 ( 10553 PWs) bands (ev): -14.7952 -14.7952 -13.5872 -13.5872 -12.9951 -12.9951 -3.5212 -3.5212 -2.1159 -2.1159 -2.0458 -2.0458 -0.7265 -0.7265 -0.7084 -0.7084 -0.2943 -0.2943 1.4797 1.4797 1.5033 1.5033 1.6310 1.6310 1.9602 1.9602 2.6377 2.6377 2.6658 2.6658 2.7912 2.7912 3.2943 3.2943 3.3022 3.3022 3.5444 3.5444 3.5930 3.5930 3.7234 3.7234 3.8490 3.8490 3.8526 3.8526 4.1504 4.1504 4.3003 4.3003 5.4620 5.4620 5.5055 5.5055 7.1470 7.1470 8.2334 8.2334 9.3004 9.3004 9.3053 9.3053 9.5500 9.5500 k = 0.0000 0.0000 0.0832 ( 10565 PWs) bands (ev): -14.7947 -14.7947 -13.5880 -13.5880 -12.9947 -12.9947 -3.5223 -3.5223 -2.1195 -2.1195 -2.0463 -2.0463 -0.7237 -0.7237 -0.7063 -0.7063 -0.2935 -0.2935 1.4759 1.4759 1.4989 1.4989 1.6176 1.6176 1.9777 1.9777 2.6379 2.6379 2.6662 2.6662 2.7936 2.7936 3.2959 3.2959 3.3038 3.3038 3.5452 3.5452 3.5938 3.5938 3.7234 3.7234 3.8491 3.8491 3.8527 3.8527 4.1512 4.1512 4.3004 4.3004 5.4639 5.4639 5.5075 5.5075 7.1496 7.1496 8.2442 8.2442 9.2477 9.2477 9.2509 9.2509 9.5642 9.5642 k = 0.0000 0.0000 0.0998 ( 10571 PWs) bands (ev): -14.7942 -14.7942 -13.5890 -13.5890 -12.9941 -12.9941 -3.5237 -3.5237 -2.1238 -2.1238 -2.0468 -2.0468 -0.7203 -0.7203 -0.7038 -0.7038 -0.2927 -0.2927 1.4715 1.4715 1.4937 1.4937 1.6030 1.6030 1.9972 1.9972 2.6382 2.6382 2.6666 2.6666 2.7964 2.7964 3.2977 3.2977 3.3056 3.3056 3.5463 3.5463 3.5948 3.5948 3.7234 3.7234 3.8492 3.8492 3.8527 3.8527 4.1521 4.1521 4.3006 4.3006 5.4663 5.4663 5.5099 5.5099 7.1531 7.1531 8.2565 8.2565 9.1898 9.1898 9.1911 9.1911 9.5818 9.5818 k = 0.0000 0.0000 0.1164 ( 10583 PWs) bands (ev): -14.7936 -14.7936 -13.5901 -13.5901 -12.9935 -12.9935 -3.5252 -3.5252 -2.1288 -2.1288 -2.0475 -2.0475 -0.7163 -0.7163 -0.7009 -0.7009 -0.2917 -0.2917 1.4663 1.4663 1.4876 1.4876 1.5875 1.5875 2.0182 2.0182 2.6385 2.6385 2.6671 2.6671 2.7997 2.7997 3.2999 3.2999 3.3078 3.3078 3.5475 3.5475 3.5960 3.5960 3.7235 3.7235 3.8494 3.8494 3.8527 3.8527 4.1532 4.1532 4.3007 4.3007 5.4689 5.4689 5.5127 5.5127 7.1578 7.1578 8.2699 8.2699 9.1279 9.1279 9.1284 9.1284 9.6027 9.6027 k = 0.0000 0.0000 0.1331 ( 10619 PWs) bands (ev): -14.7929 -14.7929 -13.5913 -13.5913 -12.9928 -12.9928 -3.5270 -3.5270 -2.1343 -2.1343 -2.0482 -2.0482 -0.7119 -0.7119 -0.6976 -0.6976 -0.2905 -0.2905 1.4605 1.4605 1.4809 1.4809 1.5715 1.5715 2.0403 2.0403 2.6388 2.6388 2.6676 2.6676 2.8034 2.8034 3.3023 3.3023 3.3103 3.3103 3.5488 3.5488 3.5973 3.5973 3.7235 3.7235 3.8496 3.8496 3.8528 3.8528 4.1544 4.1544 4.3009 4.3009 5.4719 5.4719 5.5158 5.5158 7.1638 7.1638 8.2837 8.2837 9.0627 9.0627 9.0650 9.0650 9.6270 9.6270 k = 0.0000 0.0000 0.1497 ( 10607 PWs) bands (ev): -14.7922 -14.7922 -13.5927 -13.5927 -12.9920 -12.9920 -3.5289 -3.5289 -2.1402 -2.1402 -2.0489 -2.0489 -0.7070 -0.7070 -0.6940 -0.6940 -0.2893 -0.2893 1.4541 1.4541 1.4734 1.4734 1.5553 1.5553 2.0632 2.0632 2.6392 2.6392 2.6682 2.6682 2.8074 2.8074 3.3049 3.3049 3.3130 3.3130 3.5503 3.5503 3.5987 3.5987 3.7235 3.7235 3.8498 3.8498 3.8528 3.8528 4.1557 4.1557 4.3011 4.3011 5.4753 5.4753 5.5192 5.5192 7.1713 7.1713 8.2974 8.2974 8.9968 8.9968 9.0008 9.0008 9.6547 9.6547 k = 0.0000 0.0000 0.1663 ( 10595 PWs) bands (ev): -14.7914 -14.7914 -13.5941 -13.5941 -12.9912 -12.9912 -3.5310 -3.5310 -2.1466 -2.1466 -2.0498 -2.0498 -0.7017 -0.7017 -0.6901 -0.6901 -0.2879 -0.2879 1.4472 1.4472 1.4654 1.4654 1.5391 1.5391 2.0866 2.0866 2.6396 2.6396 2.6688 2.6688 2.8117 2.8117 3.3078 3.3078 3.3159 3.3159 3.5518 3.5518 3.6002 3.6002 3.7236 3.7236 3.8501 3.8501 3.8529 3.8529 4.1572 4.1572 4.3013 4.3013 5.4788 5.4788 5.5229 5.5229 7.1805 7.1805 8.3104 8.3104 8.9310 8.9310 8.9367 8.9367 9.6860 9.6860 k = 0.0000 0.0000 0.1830 ( 10607 PWs) bands (ev): -14.7905 -14.7905 -13.5957 -13.5957 -12.9903 -12.9903 -3.5332 -3.5332 -2.1533 -2.1533 -2.0506 -2.0506 -0.6961 -0.6961 -0.6860 -0.6860 -0.2864 -0.2864 1.4400 1.4400 1.4569 1.4569 1.5230 1.5230 2.1101 2.1101 2.6400 2.6400 2.6695 2.6695 2.8162 2.8162 3.3108 3.3108 3.3190 3.3190 3.5535 3.5535 3.6018 3.6018 3.7236 3.7236 3.8503 3.8503 3.8529 3.8529 4.1587 4.1587 4.3015 4.3015 5.4826 5.4826 5.5269 5.5269 7.1915 7.1915 8.3222 8.3222 8.8662 8.8662 8.8735 8.8735 9.7209 9.7209 k = 0.0000 0.0000 0.1996 ( 10589 PWs) bands (ev): -14.7897 -14.7897 -13.5973 -13.5973 -12.9894 -12.9894 -3.5355 -3.5355 -2.1601 -2.1601 -2.0515 -2.0515 -0.6902 -0.6902 -0.6816 -0.6816 -0.2849 -0.2849 1.4324 1.4324 1.4480 1.4480 1.5072 1.5072 2.1336 2.1336 2.6404 2.6404 2.6701 2.6701 2.8209 2.8209 3.3140 3.3140 3.3222 3.3222 3.5552 3.5552 3.6035 3.6035 3.7237 3.7237 3.8506 3.8506 3.8530 3.8530 4.1604 4.1604 4.3018 4.3018 5.4866 5.4866 5.5310 5.5310 7.2045 7.2045 8.3321 8.3321 8.8028 8.8028 8.8117 8.8117 9.7593 9.7593 k = 0.0000 0.0000 0.2162 ( 10589 PWs) bands (ev): -14.7888 -14.7888 -13.5990 -13.5990 -12.9885 -12.9885 -3.5379 -3.5379 -2.1672 -2.1672 -2.0525 -2.0525 -0.6841 -0.6841 -0.6772 -0.6772 -0.2834 -0.2834 1.4245 1.4245 1.4388 1.4388 1.4918 1.4918 2.1568 2.1568 2.6408 2.6408 2.6708 2.6708 2.8258 2.8258 3.3173 3.3173 3.3255 3.3255 3.5570 3.5570 3.6052 3.6052 3.7237 3.7237 3.8508 3.8508 3.8531 3.8531 4.1622 4.1622 4.3021 4.3021 5.4907 5.4907 5.5353 5.5353 7.2195 7.2195 8.3397 8.3397 8.7413 8.7413 8.7517 8.7517 9.8014 9.8014 k = 0.0000 0.0000 0.2329 ( 10589 PWs) bands (ev): -14.7878 -14.7878 -13.6007 -13.6007 -12.9876 -12.9876 -3.5404 -3.5404 -2.1742 -2.1742 -2.0534 -2.0534 -0.6779 -0.6779 -0.6726 -0.6726 -0.2818 -0.2818 1.4166 1.4166 1.4294 1.4294 1.4769 1.4769 2.1795 2.1795 2.6412 2.6412 2.6715 2.6715 2.8307 2.8307 3.3206 3.3206 3.3290 3.3290 3.5588 3.5588 3.6069 3.6069 3.7238 3.7238 3.8511 3.8511 3.8531 3.8531 4.1640 4.1640 4.3024 4.3024 5.4950 5.4950 5.5397 5.5397 7.2366 7.2366 8.3445 8.3445 8.6821 8.6821 8.6941 8.6941 9.8470 9.8470 k = 0.0000 0.0000 0.2495 ( 10589 PWs) bands (ev): -14.7869 -14.7869 -13.6023 -13.6023 -12.9866 -12.9866 -3.5429 -3.5429 -2.1813 -2.1813 -2.0544 -2.0544 -0.6716 -0.6716 -0.6679 -0.6679 -0.2801 -0.2801 1.4085 1.4085 1.4200 1.4200 1.4625 1.4625 2.2016 2.2016 2.6417 2.6417 2.6722 2.6722 2.8357 2.8357 3.3240 3.3240 3.3324 3.3324 3.5606 3.5606 3.6087 3.6087 3.7238 3.7238 3.8514 3.8514 3.8532 3.8532 4.1658 4.1658 4.3028 4.3028 5.4992 5.4992 5.5441 5.5441 7.2558 7.2558 8.3461 8.3461 8.6256 8.6256 8.6390 8.6390 9.8959 9.8959 k = 0.0000 0.0000 0.2661 ( 10565 PWs) bands (ev): -14.7859 -14.7859 -13.6040 -13.6040 -12.9857 -12.9857 -3.5454 -3.5454 -2.1882 -2.1882 -2.0553 -2.0553 -0.6652 -0.6652 -0.6633 -0.6633 -0.2785 -0.2785 1.4005 1.4005 1.4105 1.4105 1.4487 1.4487 2.2228 2.2228 2.6421 2.6421 2.6728 2.6728 2.8406 2.8406 3.3274 3.3274 3.3358 3.3358 3.5624 3.5624 3.6104 3.6104 3.7239 3.7239 3.8517 3.8517 3.8533 3.8533 4.1676 4.1676 4.3031 4.3031 5.5035 5.5035 5.5486 5.5486 7.2770 7.2770 8.3443 8.3443 8.5720 8.5720 8.5869 8.5869 9.9479 9.9479 k = 0.0000 0.0000 0.2828 ( 10559 PWs) bands (ev): -14.7850 -14.7850 -13.6057 -13.6057 -12.9848 -12.9848 -3.5478 -3.5478 -2.1949 -2.1949 -2.0562 -2.0562 -0.6590 -0.6590 -0.6588 -0.6588 -0.2769 -0.2769 1.3927 1.3927 1.4013 1.4013 1.4357 1.4357 2.2431 2.2431 2.6425 2.6425 2.6735 2.6735 2.8455 2.8455 3.3307 3.3307 3.3392 3.3392 3.5642 3.5642 3.6121 3.6121 3.7240 3.7240 3.8520 3.8520 3.8533 3.8533 4.1695 4.1695 4.3035 4.3035 5.5077 5.5077 5.5529 5.5529 7.3002 7.3002 8.3390 8.3390 8.5215 8.5215 8.5379 8.5379 10.0027 10.0027 k = 0.0000 0.0000 0.2994 ( 10583 PWs) bands (ev): -14.7841 -14.7841 -13.6073 -13.6073 -12.9839 -12.9839 -3.5502 -3.5502 -2.2014 -2.2014 -2.0571 -2.0571 -0.6543 -0.6543 -0.6529 -0.6529 -0.2753 -0.2753 1.3850 1.3850 1.3923 1.3923 1.4234 1.4234 2.2621 2.2621 2.6428 2.6428 2.6741 2.6741 2.8502 2.8502 3.3340 3.3340 3.3425 3.3425 3.5659 3.5659 3.6138 3.6138 3.7240 3.7240 3.8522 3.8522 3.8534 3.8534 4.1712 4.1712 4.3039 4.3039 5.5118 5.5118 5.5572 5.5572 7.3252 7.3252 8.3302 8.3302 8.4744 8.4744 8.4922 8.4922 10.0598 10.0598 k = 0.0000 0.0000 0.3160 ( 10619 PWs) bands (ev): -14.7833 -14.7833 -13.6088 -13.6088 -12.9831 -12.9831 -3.5525 -3.5525 -2.2075 -2.2075 -2.0579 -2.0579 -0.6500 -0.6500 -0.6470 -0.6470 -0.2739 -0.2739 1.3777 1.3777 1.3836 1.3836 1.4120 1.4120 2.2799 2.2799 2.6432 2.6432 2.6746 2.6746 2.8547 2.8547 3.3371 3.3371 3.3456 3.3456 3.5675 3.5675 3.6153 3.6153 3.7241 3.7241 3.8525 3.8525 3.8535 3.8535 4.1730 4.1730 4.3043 4.3043 5.5157 5.5157 5.5613 5.5613 7.3517 7.3517 8.3181 8.3181 8.4308 8.4308 8.4499 8.4499 10.1187 10.1187 k = 0.0000 0.0000 0.3327 ( 10601 PWs) bands (ev): -14.7825 -14.7825 -13.6103 -13.6103 -12.9823 -12.9823 -3.5547 -3.5547 -2.2132 -2.2132 -2.0587 -2.0587 -0.6460 -0.6460 -0.6414 -0.6414 -0.2724 -0.2724 1.3708 1.3708 1.3754 1.3754 1.4015 1.4015 2.2963 2.2963 2.6435 2.6435 2.6752 2.6752 2.8591 2.8591 3.3400 3.3400 3.3486 3.3486 3.5690 3.5690 3.6168 3.6168 3.7241 3.7241 3.8527 3.8527 3.8535 3.8535 4.1747 4.1747 4.3047 4.3047 5.5194 5.5194 5.5652 5.5652 7.3795 7.3795 8.3031 8.3031 8.3909 8.3909 8.4111 8.4111 10.1784 10.1784 k = 0.0000 0.0000 0.3493 ( 10584 PWs) bands (ev): -14.7817 -14.7817 -13.6116 -13.6116 -12.9816 -12.9816 -3.5567 -3.5567 -2.2184 -2.2184 -2.0594 -2.0594 -0.6422 -0.6422 -0.6362 -0.6362 -0.2711 -0.2711 1.3643 1.3643 1.3678 1.3678 1.3919 1.3919 2.3112 2.3112 2.6438 2.6438 2.6757 2.6757 2.8631 2.8631 3.3427 3.3427 3.3514 3.3514 3.5705 3.5705 3.6182 3.6182 3.7242 3.7242 3.8530 3.8530 3.8536 3.8536 4.1762 4.1762 4.3050 4.3050 5.5229 5.5229 5.5689 5.5689 7.4081 7.4081 8.2858 8.2858 8.3549 8.3549 8.3757 8.3757 10.2382 10.2382 k = 0.0000 0.0000 0.3659 ( 10596 PWs) bands (ev): -14.7810 -14.7810 -13.6128 -13.6128 -12.9809 -12.9809 -3.5586 -3.5586 -2.2232 -2.2232 -2.0601 -2.0601 -0.6387 -0.6387 -0.6315 -0.6315 -0.2699 -0.2699 1.3584 1.3584 1.3608 1.3608 1.3834 1.3834 2.3246 2.3246 2.6441 2.6441 2.6761 2.6761 2.8668 2.8668 3.3452 3.3452 3.3539 3.3539 3.5718 3.5718 3.6194 3.6194 3.7242 3.7242 3.8532 3.8532 3.8537 3.8537 4.1776 4.1776 4.3054 4.3054 5.5261 5.5261 5.5722 5.5722 7.4369 7.4369 8.2669 8.2669 8.3228 8.3228 8.3439 8.3439 10.2968 10.2968 k = 0.0000 0.0000 0.3826 ( 10596 PWs) bands (ev): -14.7804 -14.7804 -13.6139 -13.6139 -12.9803 -12.9803 -3.5602 -3.5602 -2.2274 -2.2274 -2.0607 -2.0607 -0.6356 -0.6356 -0.6272 -0.6272 -0.2688 -0.2688 1.3532 1.3532 1.3546 1.3546 1.3759 1.3759 2.3362 2.3362 2.6444 2.6444 2.6765 2.6765 2.8701 2.8701 3.3475 3.3475 3.3562 3.3562 3.5729 3.5729 3.6205 3.6205 3.7243 3.7243 3.8534 3.8534 3.8537 3.8537 4.1789 4.1789 4.3057 4.3057 5.5290 5.5290 5.5752 5.5752 7.4653 7.4653 8.2472 8.2472 8.2948 8.2948 8.3156 8.3156 10.3528 10.3528 k = 0.0000 0.0000 0.3992 ( 10608 PWs) bands (ev): -14.7799 -14.7799 -13.6149 -13.6149 -12.9798 -12.9798 -3.5617 -3.5617 -2.2310 -2.2310 -2.0612 -2.0612 -0.6329 -0.6329 -0.6235 -0.6235 -0.2678 -0.2678 1.3486 1.3486 1.3492 1.3492 1.3694 1.3694 2.3462 2.3462 2.6446 2.6446 2.6768 2.6768 2.8730 2.8730 3.3494 3.3494 3.3582 3.3582 3.5739 3.5739 3.6215 3.6215 3.7243 3.7243 3.8535 3.8535 3.8538 3.8538 4.1801 4.1801 4.3060 4.3060 5.5314 5.5314 5.5778 5.5778 7.4925 7.4925 8.2278 8.2278 8.2709 8.2709 8.2909 8.2909 10.4048 10.4048 k = 0.0000 0.0000 0.4158 ( 10614 PWs) bands (ev): -14.7794 -14.7794 -13.6157 -13.6157 -12.9794 -12.9794 -3.5629 -3.5629 -2.2341 -2.2341 -2.0616 -2.0616 -0.6307 -0.6307 -0.6204 -0.6204 -0.2671 -0.2671 1.3447 1.3447 1.3448 1.3448 1.3641 1.3641 2.3544 2.3544 2.6448 2.6448 2.6771 2.6771 2.8755 2.8755 3.3510 3.3510 3.3598 3.3598 3.5748 3.5748 3.6223 3.6223 3.7243 3.7243 3.8537 3.8537 3.8538 3.8538 4.1810 4.1810 4.3063 4.3063 5.5335 5.5335 5.5799 5.5799 7.5173 7.5173 8.2094 8.2094 8.2513 8.2513 8.2703 8.2703 10.4510 10.4510 k = 0.0000 0.0000 0.4325 ( 10584 PWs) bands (ev): -14.7791 -14.7791 -13.6163 -13.6163 -12.9790 -12.9790 -3.5639 -3.5639 -2.2364 -2.2364 -2.0620 -2.0620 -0.6289 -0.6289 -0.6179 -0.6179 -0.2664 -0.2664 1.3411 1.3411 1.3418 1.3418 1.3600 1.3600 2.3608 2.3608 2.6449 2.6449 2.6773 2.6773 2.8774 2.8774 3.3523 3.3523 3.3612 3.3612 3.5754 3.5754 3.6229 3.6229 3.7244 3.7244 3.8538 3.8538 3.8538 3.8538 4.1818 4.1818 4.3065 4.3065 5.5352 5.5352 5.5816 5.5816 7.5387 7.5387 8.1931 8.1931 8.2360 8.2360 8.2540 8.2540 10.4895 10.4895 k = 0.0000 0.0000 0.4491 ( 10584 PWs) bands (ev): -14.7788 -14.7788 -13.6167 -13.6167 -12.9788 -12.9788 -3.5645 -3.5645 -2.2381 -2.2381 -2.0622 -2.0622 -0.6276 -0.6276 -0.6161 -0.6161 -0.2660 -0.2660 1.3385 1.3385 1.3396 1.3396 1.3570 1.3570 2.3653 2.3653 2.6450 2.6450 2.6775 2.6775 2.8788 2.8788 3.3533 3.3533 3.3621 3.3621 3.5759 3.5759 3.6234 3.6234 3.7244 3.7244 3.8539 3.8539 3.8539 3.8539 4.1823 4.1823 4.3066 4.3066 5.5364 5.5364 5.5829 5.5829 7.5552 7.5552 8.1801 8.1801 8.2250 8.2250 8.2423 8.2423 10.5186 10.5186 k = 0.0000 0.0000 0.4657 ( 10584 PWs) bands (ev): -14.7787 -14.7787 -13.6170 -13.6170 -12.9787 -12.9787 -3.5650 -3.5650 -2.2392 -2.2392 -2.0623 -2.0623 -0.6268 -0.6268 -0.6150 -0.6150 -0.2657 -0.2657 1.3370 1.3370 1.3383 1.3383 1.3552 1.3552 2.3681 2.3681 2.6451 2.6451 2.6776 2.6776 2.8796 2.8796 3.3538 3.3538 3.3627 3.3627 3.5762 3.5762 3.6236 3.6236 3.7244 3.7244 3.8539 3.8539 3.8539 3.8539 4.1826 4.1826 4.3067 4.3067 5.5371 5.5371 5.5836 5.5836 7.5658 7.5658 8.1717 8.1717 8.2184 8.2184 8.2352 8.2352 10.5368 10.5368 k = 0.0000 0.0000 0.4824 ( 10590 PWs) bands (ev): -14.7786 -14.7786 -13.6171 -13.6171 -12.9786 -12.9786 -3.5651 -3.5651 -2.2395 -2.2395 -2.0624 -2.0624 -0.6266 -0.6266 -0.6146 -0.6146 -0.2656 -0.2656 1.3364 1.3364 1.3378 1.3378 1.3546 1.3546 2.3690 2.3690 2.6451 2.6451 2.6776 2.6776 2.8799 2.8799 3.3540 3.3540 3.3629 3.3629 3.5763 3.5763 3.6237 3.6237 3.7244 3.7244 3.8539 3.8539 3.8539 3.8539 4.1827 4.1827 4.3068 4.3068 5.5373 5.5373 5.5839 5.5839 7.5694 7.5694 8.1687 8.1687 8.2161 8.2161 8.2329 8.2329 10.5429 10.5429 k = 0.0000 0.0000 0.4824 ( 10590 PWs) bands (ev): -14.7786 -14.7786 -13.6171 -13.6171 -12.9786 -12.9786 -3.5651 -3.5651 -2.2395 -2.2395 -2.0624 -2.0624 -0.6266 -0.6266 -0.6146 -0.6146 -0.2656 -0.2656 1.3364 1.3364 1.3378 1.3378 1.3546 1.3546 2.3690 2.3690 2.6451 2.6451 2.6776 2.6776 2.8799 2.8799 3.3540 3.3540 3.3629 3.3629 3.5763 3.5763 3.6237 3.6237 3.7244 3.7244 3.8539 3.8539 3.8539 3.8539 4.1827 4.1827 4.3068 4.3068 5.5373 5.5373 5.5839 5.5839 7.5694 7.5694 8.1687 8.1687 8.2161 8.2161 8.2329 8.2329 10.5429 10.5429 k = 0.0143 0.0082 0.4824 ( 10578 PWs) bands (ev): -14.7786 -14.7786 -13.6168 -13.6168 -12.9789 -12.9789 -3.5652 -3.5652 -2.2396 -2.2396 -2.0625 -2.0625 -0.6264 -0.6264 -0.6146 -0.6146 -0.2653 -0.2653 1.3355 1.3355 1.3370 1.3370 1.3543 1.3543 2.3696 2.3696 2.6458 2.6458 2.6783 2.6783 2.8804 2.8804 3.3543 3.3543 3.3631 3.3631 3.5765 3.5765 3.6239 3.6239 3.7244 3.7244 3.8537 3.8537 3.8539 3.8539 4.1829 4.1829 4.3062 4.3062 5.5349 5.5349 5.5815 5.5815 7.5725 7.5725 8.1679 8.1679 8.2184 8.2184 8.2351 8.2351 10.5439 10.5439 k = 0.0286 0.0165 0.4824 ( 10582 PWs) bands (ev): -14.7784 -14.7784 -13.6160 -13.6160 -12.9799 -12.9799 -3.5655 -3.5655 -2.2398 -2.2398 -2.0630 -2.0630 -0.6258 -0.6258 -0.6145 -0.6145 -0.2644 -0.2644 1.3327 1.3327 1.3346 1.3346 1.3536 1.3536 2.3713 2.3713 2.6479 2.6479 2.6803 2.6803 2.8817 2.8817 3.3550 3.3550 3.3640 3.3640 3.5770 3.5770 3.6243 3.6243 3.7246 3.7246 3.8529 3.8529 3.8540 3.8540 4.1833 4.1833 4.3047 4.3047 5.5276 5.5276 5.5744 5.5744 7.5819 7.5819 8.1655 8.1655 8.2242 8.2242 8.2425 8.2425 10.5466 10.5466 k = 0.0429 0.0247 0.4824 ( 10590 PWs) bands (ev): -14.7782 -14.7782 -13.6147 -13.6147 -12.9815 -12.9815 -3.5660 -3.5660 -2.2403 -2.2403 -2.0637 -2.0637 -0.6249 -0.6249 -0.6142 -0.6142 -0.2630 -0.2630 1.3279 1.3279 1.3307 1.3307 1.3523 1.3523 2.3742 2.3742 2.6512 2.6512 2.6837 2.6837 2.8839 2.8839 3.3562 3.3562 3.3654 3.3654 3.5778 3.5778 3.6251 3.6251 3.7248 3.7248 3.8516 3.8516 3.8540 3.8540 4.1841 4.1841 4.3021 4.3021 5.5151 5.5151 5.5634 5.5634 7.5972 7.5972 8.1620 8.1620 8.2316 8.2316 8.2565 8.2565 10.5510 10.5510 k = 0.0571 0.0330 0.4824 ( 10592 PWs) bands (ev): -14.7779 -14.7779 -13.6128 -13.6128 -12.9838 -12.9838 -3.5666 -3.5666 -2.2409 -2.2409 -2.0647 -2.0647 -0.6237 -0.6237 -0.6137 -0.6137 -0.2609 -0.2609 1.3212 1.3212 1.3253 1.3253 1.3506 1.3506 2.3780 2.3780 2.6559 2.6559 2.6884 2.6884 2.8869 2.8869 3.3577 3.3577 3.3674 3.3674 3.5788 3.5788 3.6262 3.6262 3.7251 3.7251 3.8498 3.8498 3.8541 3.8541 4.1851 4.1851 4.2985 4.2985 5.4969 5.4969 5.5494 5.5494 7.6181 7.6181 8.1579 8.1579 8.2397 8.2397 8.2775 8.2775 10.5569 10.5569 k = 0.0714 0.0412 0.4824 ( 10580 PWs) bands (ev): -14.7775 -14.7775 -13.6104 -13.6104 -12.9867 -12.9867 -3.5674 -3.5674 -2.2417 -2.2417 -2.0661 -2.0661 -0.6220 -0.6220 -0.6129 -0.6129 -0.2583 -0.2583 1.3125 1.3125 1.3184 1.3184 1.3484 1.3484 2.3828 2.3828 2.6618 2.6618 2.6946 2.6946 2.8908 2.8908 3.3596 3.3596 3.3701 3.3701 3.5799 3.5799 3.6277 3.6277 3.7256 3.7256 3.8475 3.8475 3.8542 3.8542 4.1863 4.1863 4.2939 4.2939 5.4729 5.4729 5.5332 5.5332 7.6442 7.6442 8.1533 8.1533 8.2485 8.2485 8.3051 8.3051 10.5638 10.5638 k = 0.0857 0.0495 0.4824 ( 10596 PWs) bands (ev): -14.7770 -14.7770 -13.6074 -13.6074 -12.9902 -12.9902 -3.5685 -3.5685 -2.2426 -2.2426 -2.0677 -2.0677 -0.6200 -0.6200 -0.6117 -0.6117 -0.2550 -0.2550 1.3020 1.3020 1.3101 1.3101 1.3455 1.3455 2.3884 2.3884 2.6688 2.6688 2.7021 2.7021 2.8955 2.8955 3.3617 3.3617 3.3734 3.3734 3.5810 3.5810 3.6296 3.6296 3.7262 3.7262 3.8448 3.8448 3.8544 3.8544 4.1877 4.1877 4.2885 4.2885 5.4435 5.4435 5.5154 5.5154 7.6749 7.6749 8.1486 8.1486 8.2583 8.2583 8.3385 8.3385 10.5710 10.5710 k = 0.1000 0.0577 0.4824 ( 10592 PWs) bands (ev): -14.7765 -14.7765 -13.6040 -13.6040 -12.9944 -12.9944 -3.5697 -3.5697 -2.2438 -2.2438 -2.0698 -2.0698 -0.6175 -0.6175 -0.6100 -0.6100 -0.2511 -0.2511 1.2898 1.2898 1.3006 1.3006 1.3418 1.3418 2.3946 2.3946 2.6769 2.6769 2.7111 2.7111 2.9010 2.9010 3.3640 3.3640 3.3773 3.3773 3.5819 3.5819 3.6320 3.6320 3.7269 3.7269 3.8417 3.8417 3.8546 3.8546 4.1892 4.1892 4.2824 4.2824 5.4091 5.4091 5.4960 5.4960 7.7095 7.7095 8.1440 8.1440 8.2693 8.2693 8.3773 8.3773 10.5778 10.5778 k = 0.1143 0.0660 0.4824 ( 10572 PWs) bands (ev): -14.7759 -14.7759 -13.6000 -13.6000 -12.9991 -12.9991 -3.5711 -3.5711 -2.2453 -2.2453 -2.0721 -2.0721 -0.6145 -0.6145 -0.6077 -0.6077 -0.2466 -0.2466 1.2759 1.2759 1.2899 1.2899 1.3373 1.3373 2.4014 2.4014 2.6860 2.6860 2.7215 2.7215 2.9074 2.9074 3.3665 3.3665 3.3817 3.3817 3.5827 3.5827 3.6348 3.6348 3.7280 3.7280 3.8382 3.8382 3.8549 3.8549 4.1907 4.1907 4.2758 4.2758 5.3707 5.3707 5.4754 5.4754 7.7474 7.7474 8.1397 8.1397 8.2817 8.2817 8.4209 8.4209 10.5825 10.5825 k = 0.1286 0.0742 0.4824 ( 10566 PWs) bands (ev): -14.7752 -14.7752 -13.5956 -13.5956 -13.0044 -13.0044 -3.5726 -3.5726 -2.2470 -2.2470 -2.0749 -2.0749 -0.6108 -0.6108 -0.6049 -0.6049 -0.2414 -0.2414 1.2604 1.2604 1.2781 1.2781 1.3318 1.3318 2.4086 2.4086 2.6962 2.6962 2.7333 2.7333 2.9144 2.9144 3.3692 3.3692 3.3866 3.3866 3.5831 3.5831 3.6378 3.6378 3.7293 3.7293 3.8343 3.8343 3.8552 3.8552 4.1918 4.1918 4.2688 4.2688 5.3289 5.3289 5.4536 5.4536 7.7877 7.7877 8.1359 8.1359 8.2956 8.2956 8.4690 8.4690 10.5832 10.5832 k = 0.1429 0.0825 0.4824 ( 10574 PWs) bands (ev): -14.7744 -14.7744 -13.5906 -13.5906 -13.0103 -13.0103 -3.5744 -3.5744 -2.2489 -2.2489 -2.0779 -2.0779 -0.6064 -0.6064 -0.6013 -0.6013 -0.2356 -0.2356 1.2435 1.2435 1.2653 1.2653 1.3253 1.3253 2.4160 2.4160 2.7073 2.7073 2.7463 2.7463 2.9222 2.9222 3.3720 3.3720 3.3919 3.3919 3.5832 3.5832 3.6409 3.6409 3.7310 3.7310 3.8303 3.8303 3.8557 3.8557 4.1923 4.1923 4.2620 4.2620 5.2845 5.2845 5.4308 5.4308 7.8297 7.8297 8.1328 8.1328 8.3112 8.3112 8.5211 8.5211 10.5776 10.5776 k = 0.1571 0.0907 0.4824 ( 10558 PWs) bands (ev): -14.7736 -14.7736 -13.5852 -13.5852 -13.0167 -13.0167 -3.5763 -3.5763 -2.2511 -2.2511 -2.0814 -2.0814 -0.6016 -0.6016 -0.5965 -0.5965 -0.2292 -0.2292 1.2251 1.2251 1.2517 1.2517 1.3176 1.3176 2.4236 2.4236 2.7194 2.7194 2.7605 2.7605 2.9307 2.9307 3.3749 3.3749 3.3975 3.3975 3.5829 3.5829 3.6438 3.6438 3.7332 3.7332 3.8260 3.8260 3.8562 3.8562 4.1916 4.1916 4.2558 4.2558 5.2381 5.2381 5.4074 5.4074 7.8724 7.8724 8.1308 8.1308 8.3290 8.3290 8.5767 8.5767 10.5638 10.5638 k = 0.1714 0.0990 0.4824 ( 10556 PWs) bands (ev): -14.7728 -14.7728 -13.5794 -13.5794 -13.0236 -13.0236 -3.5783 -3.5783 -2.2536 -2.2536 -2.0852 -2.0852 -0.5968 -0.5968 -0.5901 -0.5901 -0.2221 -0.2221 1.2054 1.2054 1.2374 1.2374 1.3088 1.3088 2.4313 2.4313 2.7325 2.7325 2.7759 2.7759 2.9398 2.9398 3.3779 3.3779 3.4033 3.4033 3.5823 3.5823 3.6461 3.6461 3.7360 3.7360 3.8217 3.8217 3.8567 3.8567 4.1891 4.1891 4.2509 4.2509 5.1905 5.1905 5.3834 5.3834 7.9145 7.9145 8.1304 8.1304 8.3493 8.3493 8.6353 8.6353 10.5412 10.5412 k = 0.1857 0.1072 0.4824 ( 10560 PWs) bands (ev): -14.7719 -14.7719 -13.5731 -13.5731 -13.0310 -13.0310 -3.5805 -3.5805 -2.2564 -2.2564 -2.0893 -2.0893 -0.5921 -0.5921 -0.5817 -0.5817 -0.2145 -0.2145 1.1843 1.1843 1.2225 1.2225 1.2988 1.2988 2.4389 2.4389 2.7465 2.7465 2.7923 2.7923 2.9496 2.9496 3.3809 3.3809 3.4092 3.4092 3.5813 3.5813 3.6475 3.6475 3.7394 3.7394 3.8174 3.8174 3.8574 3.8574 4.1844 4.1844 4.2476 4.2476 5.1422 5.1422 5.3592 5.3592 7.9546 7.9546 8.1321 8.1321 8.3726 8.3726 8.6965 8.6965 10.5102 10.5102 k = 0.2000 0.1155 0.4824 ( 10572 PWs) bands (ev): -14.7709 -14.7709 -13.5663 -13.5663 -13.0389 -13.0389 -3.5829 -3.5829 -2.2595 -2.2595 -2.0936 -2.0936 -0.5874 -0.5874 -0.5715 -0.5715 -0.2062 -0.2062 1.1620 1.1620 1.2070 1.2070 1.2876 1.2876 2.4464 2.4464 2.7616 2.7616 2.8097 2.8097 2.9599 2.9599 3.3840 3.3840 3.4151 3.4151 3.5800 3.5800 3.6479 3.6479 3.7433 3.7433 3.8131 3.8131 3.8581 3.8581 4.1776 4.1776 4.2459 4.2459 5.0937 5.0937 5.3349 5.3349 7.9912 7.9912 8.1367 8.1367 8.3994 8.3994 8.7598 8.7598 10.4719 10.4719 k = 0.2143 0.1237 0.4824 ( 10572 PWs) bands (ev): -14.7700 -14.7700 -13.5592 -13.5592 -13.0472 -13.0472 -3.5853 -3.5853 -2.2629 -2.2629 -2.0982 -2.0982 -0.5826 -0.5826 -0.5596 -0.5596 -0.1972 -0.1972 1.1384 1.1384 1.1913 1.1913 1.2754 1.2754 2.4537 2.4537 2.7776 2.7776 2.8279 2.8279 2.9708 2.9708 3.3870 3.3870 3.4210 3.4210 3.5784 3.5784 3.6471 3.6471 3.7475 3.7475 3.8091 3.8091 3.8589 3.8589 4.1691 4.1691 4.2454 4.2454 5.0459 5.0459 5.3107 5.3107 8.0223 8.0223 8.1455 8.1455 8.4302 8.4302 8.8248 8.8248 10.4273 10.4273 k = 0.2286 0.1320 0.4824 ( 10570 PWs) bands (ev): -14.7690 -14.7690 -13.5518 -13.5518 -13.0559 -13.0559 -3.5879 -3.5879 -2.2667 -2.2667 -2.1030 -2.1030 -0.5776 -0.5776 -0.5458 -0.5458 -0.1877 -0.1877 1.1135 1.1135 1.1752 1.1752 1.2622 1.2622 2.4609 2.4609 2.7947 2.7947 2.8469 2.8469 2.9822 2.9822 3.3900 3.3900 3.4266 3.4266 3.5764 3.5764 3.6451 3.6451 3.7515 3.7515 3.8054 3.8054 3.8598 3.8598 4.1594 4.1594 4.2455 4.2455 4.9991 4.9991 5.2869 5.2869 8.0468 8.0468 8.1589 8.1589 8.4651 8.4651 8.8909 8.8909 10.3775 10.3775 k = 0.2429 0.1402 0.4824 ( 10570 PWs) bands (ev): -14.7680 -14.7680 -13.5439 -13.5439 -13.0650 -13.0650 -3.5906 -3.5906 -2.2707 -2.2707 -2.1079 -2.1079 -0.5726 -0.5726 -0.5304 -0.5304 -0.1775 -0.1775 1.0872 1.0872 1.1591 1.1591 1.2482 1.2482 2.4678 2.4678 2.8127 2.8127 2.8666 2.8666 2.9942 2.9942 3.3928 3.3928 3.4320 3.4320 3.5741 3.5741 3.6419 3.6419 3.7547 3.7547 3.8023 3.8023 3.8606 3.8606 4.1493 4.1493 4.2456 4.2456 4.9540 4.9540 5.2635 5.2635 8.0649 8.0649 8.1765 8.1765 8.5042 8.5042 8.9578 8.9578 10.3234 10.3234 k = 0.2571 0.1485 0.4824 ( 10586 PWs) bands (ev): -14.7669 -14.7669 -13.5358 -13.5358 -13.0744 -13.0744 -3.5933 -3.5933 -2.2750 -2.2750 -2.1128 -2.1128 -0.5674 -0.5674 -0.5133 -0.5133 -0.1667 -0.1667 1.0597 1.0597 1.1429 1.1429 1.2335 1.2335 2.4743 2.4743 2.8316 2.8316 2.8869 2.8869 3.0066 3.0066 3.3955 3.3955 3.4370 3.4370 3.5715 3.5715 3.6377 3.6377 3.7566 3.7566 3.7999 3.7999 3.8615 3.8615 4.1391 4.1391 4.2451 4.2451 4.9113 4.9113 5.2407 5.2407 8.0785 8.0785 8.1962 8.1962 8.5471 8.5471 9.0248 9.0248 10.2658 10.2658 k = 0.2714 0.1567 0.4824 ( 10592 PWs) bands (ev): -14.7659 -14.7659 -13.5273 -13.5273 -13.0841 -13.0841 -3.5961 -3.5961 -2.2796 -2.2796 -2.1177 -2.1177 -0.5622 -0.5622 -0.4947 -0.4947 -0.1553 -0.1553 1.0308 1.0308 1.1268 1.1268 1.2184 1.2184 2.4806 2.4806 2.8514 2.8514 2.9077 2.9077 3.0195 3.0195 3.3979 3.3979 3.4415 3.4415 3.5684 3.5684 3.6327 3.6327 3.7564 3.7564 3.7983 3.7983 3.8622 3.8622 4.1293 4.1293 4.2437 4.2437 4.8714 4.8714 5.2187 5.2187 8.0897 8.0897 8.2162 8.2162 8.5930 8.5930 9.0915 9.0915 10.2056 10.2056 k = 0.2857 0.1650 0.4824 ( 10600 PWs) bands (ev): -14.7649 -14.7649 -13.5186 -13.5186 -13.0940 -13.0940 -3.5989 -3.5989 -2.2844 -2.2844 -2.1225 -2.1225 -0.5569 -0.5569 -0.4748 -0.4748 -0.1432 -0.1432 1.0006 1.0006 1.1110 1.1110 1.2031 1.2031 2.4866 2.4866 2.8721 2.8721 2.9290 2.9290 3.0329 3.0329 3.4001 3.4001 3.4454 3.4454 3.5650 3.5650 3.6271 3.6271 3.7539 3.7539 3.7972 3.7972 3.8628 3.8628 4.1202 4.1202 4.2412 4.2412 4.8349 4.8349 5.1975 5.1975 8.1001 8.1001 8.2354 8.2354 8.6411 8.6411 9.1575 9.1575 10.1435 10.1435 k = 0.3000 0.1732 0.4824 ( 10608 PWs) bands (ev): -14.7639 -14.7639 -13.5097 -13.5097 -13.1041 -13.1041 -3.6017 -3.6017 -2.2894 -2.2894 -2.1272 -2.1272 -0.5517 -0.5517 -0.4536 -0.4536 -0.1303 -0.1303 0.9691 0.9691 1.0955 1.0955 1.1877 1.1877 2.4922 2.4922 2.8934 2.8934 2.9507 2.9507 3.0467 3.0467 3.4021 3.4021 3.4487 3.4487 3.5611 3.5611 3.6212 3.6212 3.7492 3.7492 3.7961 3.7961 3.8631 3.8631 4.1121 4.1121 4.2375 4.2375 4.8023 4.8023 5.1772 5.1772 8.1105 8.1105 8.2534 8.2534 8.6904 8.6904 9.2223 9.2223 10.0803 10.0803 k = 0.3143 0.1815 0.4824 ( 10606 PWs) bands (ev): -14.7630 -14.7630 -13.5006 -13.5006 -13.1143 -13.1143 -3.6045 -3.6045 -2.2945 -2.2945 -2.1316 -2.1316 -0.5466 -0.5466 -0.4316 -0.4316 -0.1166 -0.1166 0.9364 0.9364 1.0804 1.0804 1.1726 1.1726 2.4974 2.4974 2.9153 2.9153 2.9727 2.9727 3.0612 3.0612 3.4036 3.4036 3.4512 3.4512 3.5568 3.5568 3.6152 3.6152 3.7426 3.7426 3.7942 3.7942 3.8630 3.8630 4.1051 4.1051 4.2326 4.2326 4.7738 4.7738 5.1580 5.1580 8.1214 8.1214 8.2700 8.2700 8.7400 8.7400 9.2852 9.2852 10.0166 10.0166 k = 0.3286 0.1897 0.4824 ( 10616 PWs) bands (ev): -14.7620 -14.7620 -13.4915 -13.4915 -13.1246 -13.1246 -3.6072 -3.6072 -2.2997 -2.2997 -2.1358 -2.1358 -0.5416 -0.5416 -0.4091 -0.4091 -0.1021 -0.1021 0.9026 0.9026 1.0659 1.0659 1.1578 1.1578 2.5022 2.5022 2.9376 2.9376 2.9950 2.9950 3.0762 3.0762 3.4046 3.4046 3.4527 3.4527 3.5523 3.5523 3.6092 3.6092 3.7343 3.7343 3.7911 3.7911 3.8622 3.8622 4.0993 4.0993 4.2267 4.2267 4.7496 4.7496 5.1398 5.1398 8.1330 8.1330 8.2852 8.2852 8.7892 8.7892 9.3459 9.3459 9.9530 9.9530 k = 0.3429 0.1979 0.4824 ( 10610 PWs) bands (ev): -14.7612 -14.7612 -13.4822 -13.4822 -13.1349 -13.1349 -3.6098 -3.6098 -2.3048 -2.3048 -2.1398 -2.1398 -0.5368 -0.5368 -0.3864 -0.3864 -0.0866 -0.0866 0.8678 0.8678 1.0521 1.0521 1.1436 1.1436 2.5067 2.5067 2.9599 2.9599 3.0174 3.0174 3.0920 3.0920 3.4049 3.4049 3.4533 3.4533 3.5477 3.5477 3.6033 3.6033 3.7245 3.7245 3.7863 3.7863 3.8607 3.8607 4.0948 4.0948 4.2204 4.2204 4.7295 4.7295 5.1229 5.1229 8.1454 8.1454 8.2991 8.2991 8.8371 8.8371 9.4039 9.4039 9.8900 9.8900 k = 0.3571 0.2062 0.4824 ( 10606 PWs) bands (ev): -14.7603 -14.7603 -13.4730 -13.4730 -13.1452 -13.1452 -3.6123 -3.6123 -2.3099 -2.3099 -2.1434 -2.1434 -0.5322 -0.5322 -0.3640 -0.3640 -0.0700 -0.0700 0.8323 0.8323 1.0390 1.0390 1.1301 1.1301 2.5108 2.5108 2.9819 2.9819 3.0400 3.0400 3.1086 3.1086 3.4043 3.4043 3.4530 3.4530 3.5433 3.5433 3.5975 3.5975 3.7135 3.7135 3.7795 3.7795 3.8585 3.8585 4.0914 4.0914 4.2142 4.2142 4.7133 4.7133 5.1072 5.1072 8.1583 8.1583 8.3118 8.3118 8.8833 8.8833 9.4586 9.4586 9.8282 9.8282 k = 0.3714 0.2144 0.4824 ( 10610 PWs) bands (ev): -14.7595 -14.7595 -13.4639 -13.4639 -13.1552 -13.1552 -3.6147 -3.6147 -2.3147 -2.3147 -2.1467 -2.1467 -0.5278 -0.5278 -0.3423 -0.3423 -0.0522 -0.0522 0.7965 0.7965 1.0269 1.0269 1.1174 1.1174 2.5145 2.5145 3.0030 3.0030 3.0628 3.0628 3.1263 3.1263 3.4025 3.4025 3.4517 3.4517 3.5394 3.5394 3.5918 3.5918 3.7015 3.7015 3.7705 3.7705 3.8559 3.8559 4.0890 4.0890 4.2085 4.2085 4.7006 4.7006 5.0927 5.0927 8.1718 8.1718 8.3234 8.3234 8.9275 8.9275 9.5097 9.5097 9.7680 9.7680 k = 0.3857 0.2227 0.4824 ( 10614 PWs) bands (ev): -14.7588 -14.7588 -13.4550 -13.4550 -13.1650 -13.1650 -3.6169 -3.6169 -2.3193 -2.3193 -2.1497 -2.1497 -0.5238 -0.5238 -0.3219 -0.3219 -0.0333 -0.0333 0.7606 0.7606 1.0157 1.0157 1.1058 1.1058 2.5178 2.5178 3.0228 3.0228 3.0857 3.0857 3.1450 3.1450 3.3990 3.3990 3.4498 3.4498 3.5363 3.5363 3.5860 3.5860 3.6886 3.6886 3.7595 3.7595 3.8531 3.8531 4.0875 4.0875 4.2037 4.2037 4.6908 4.6908 5.0797 5.0797 8.1854 8.1854 8.3338 8.3338 8.9693 8.9693 9.5565 9.5565 9.7100 9.7100 k = 0.4000 0.2309 0.4824 ( 10610 PWs) bands (ev): -14.7582 -14.7582 -13.4464 -13.4464 -13.1743 -13.1743 -3.6189 -3.6189 -2.3236 -2.3236 -2.1523 -2.1523 -0.5201 -0.5201 -0.3032 -0.3032 -0.0135 -0.0135 0.7252 0.7252 1.0056 1.0056 1.0953 1.0953 2.5207 2.5207 3.0408 3.0408 3.1085 3.1085 3.1650 3.1650 3.3935 3.3935 3.4475 3.4475 3.5341 3.5341 3.5800 3.5800 3.6752 3.6752 3.7469 3.7469 3.8504 3.8504 4.0866 4.0866 4.2000 4.2000 4.6836 4.6836 5.0680 5.0680 8.1989 8.1989 8.3430 8.3430 9.0086 9.0086 9.5982 9.5982 9.6551 9.6551 k = 0.4143 0.2392 0.4824 ( 10590 PWs) bands (ev): -14.7576 -14.7576 -13.4384 -13.4384 -13.1830 -13.1830 -3.6208 -3.6208 -2.3274 -2.3274 -2.1545 -2.1545 -0.5168 -0.5168 -0.2865 -0.2865 0.0070 0.0070 0.6909 0.6909 0.9966 0.9966 1.0860 1.0860 2.5233 2.5233 3.0567 3.0567 3.1311 3.1311 3.1860 3.1860 3.3858 3.3858 3.4449 3.4449 3.5329 3.5329 3.5738 3.5738 3.6615 3.6615 3.7335 3.7335 3.8479 3.8479 4.0863 4.0863 4.1973 4.1973 4.6783 4.6783 5.0577 5.0577 8.2120 8.2120 8.3511 8.3511 9.0454 9.0454 9.5991 9.5991 9.6390 9.6390 k = 0.4286 0.2474 0.4824 ( 10586 PWs) bands (ev): -14.7571 -14.7571 -13.4310 -13.4310 -13.1910 -13.1910 -3.6223 -3.6223 -2.3308 -2.3308 -2.1564 -2.1564 -0.5140 -0.5140 -0.2721 -0.2721 0.0277 0.0277 0.6585 0.6585 0.9889 0.9889 1.0780 1.0780 2.5254 2.5254 3.0701 3.0701 3.1531 3.1531 3.2079 3.2079 3.3760 3.3760 3.4420 3.4420 3.5326 3.5326 3.5672 3.5672 3.6477 3.6477 3.7204 3.7204 3.8459 3.8459 4.0864 4.0864 4.1956 4.1956 4.6745 4.6745 5.0490 5.0490 8.2240 8.2240 8.3580 8.3580 9.0797 9.0797 9.5512 9.5512 9.6701 9.6701 k = 0.4429 0.2557 0.4824 ( 10588 PWs) bands (ev): -14.7567 -14.7567 -13.4244 -13.4244 -13.1980 -13.1980 -3.6236 -3.6236 -2.3337 -2.3337 -2.1580 -2.1580 -0.5116 -0.5116 -0.2602 -0.2602 0.0475 0.0475 0.6290 0.6290 0.9824 0.9824 1.0713 1.0713 2.5271 2.5271 3.0812 3.0812 3.1738 3.1738 3.2302 3.2302 3.3645 3.3645 3.4386 3.4386 3.5332 3.5332 3.5607 3.5607 3.6343 3.6343 3.7087 3.7087 3.8442 3.8442 4.0867 4.0867 4.1947 4.1947 4.6719 4.6719 5.0418 5.0418 8.2348 8.2348 8.3636 8.3636 9.1114 9.1114 9.5065 9.5065 9.6968 9.6968 k = 0.4571 0.2639 0.4824 ( 10580 PWs) bands (ev): -14.7564 -14.7564 -13.4190 -13.4190 -13.2038 -13.2038 -3.6247 -3.6247 -2.3360 -2.3360 -2.1592 -2.1592 -0.5097 -0.5097 -0.2510 -0.2510 0.0653 0.0653 0.6037 0.6037 0.9774 0.9774 1.0661 1.0661 2.5285 2.5285 3.0897 3.0897 3.1925 3.1925 3.2520 3.2520 3.3518 3.3518 3.4346 3.4346 3.5347 3.5347 3.5546 3.5546 3.6218 3.6218 3.6991 3.6991 3.8429 3.8429 4.0870 4.0870 4.1942 4.1942 4.6702 4.6702 5.0361 5.0361 8.2437 8.2437 8.3680 8.3680 9.1399 9.1399 9.4669 9.4669 9.7179 9.7179 k = 0.4714 0.2722 0.4824 ( 10584 PWs) bands (ev): -14.7561 -14.7561 -13.4149 -13.4149 -13.2082 -13.2082 -3.6254 -3.6254 -2.3376 -2.3376 -2.1601 -2.1601 -0.5084 -0.5084 -0.2444 -0.2444 0.0796 0.0796 0.5840 0.5840 0.9737 0.9737 1.0624 1.0624 2.5295 2.5295 3.0958 3.0958 3.2080 3.2080 3.2725 3.2725 3.3382 3.3382 3.4301 3.4301 3.5367 3.5367 3.5493 3.5493 3.6114 3.6114 3.6922 3.6922 3.8421 3.8421 4.0873 4.0873 4.1941 4.1941 4.6691 4.6691 5.0321 5.0321 8.2504 8.2504 8.3712 8.3712 9.1640 9.1640 9.4345 9.4345 9.7331 9.7331 k = 0.4857 0.2804 0.4824 ( 10594 PWs) bands (ev): -14.7560 -14.7560 -13.4124 -13.4124 -13.2109 -13.2109 -3.6259 -3.6259 -2.3386 -2.3386 -2.1606 -2.1606 -0.5076 -0.5076 -0.2404 -0.2404 0.0890 0.0890 0.5713 0.5713 0.9715 0.9715 1.0601 1.0601 2.5300 2.5300 3.0995 3.0995 3.2186 3.2186 3.2906 3.2906 3.3245 3.3245 3.4264 3.4264 3.5391 3.5391 3.5453 3.5453 3.6043 3.6043 3.6881 3.6881 3.8416 3.8416 4.0876 4.0876 4.1941 4.1941 4.6685 4.6685 5.0296 5.0296 8.2545 8.2545 8.3731 8.3731 9.1811 9.1811 9.4122 9.4122 9.7423 9.7423 k = 0.5000 0.2887 0.4824 ( 10592 PWs) bands (ev): -14.7559 -14.7559 -13.4115 -13.4115 -13.2119 -13.2119 -3.6260 -3.6260 -2.3389 -2.3389 -2.1608 -2.1608 -0.5073 -0.5073 -0.2391 -0.2391 0.0923 0.0923 0.5670 0.5670 0.9708 0.9708 1.0593 1.0593 2.5302 2.5302 3.1007 3.1007 3.2225 3.2225 3.3021 3.3021 3.3144 3.3144 3.4249 3.4249 3.5409 3.5409 3.5430 3.5430 3.6018 3.6018 3.6867 3.6867 3.8414 3.8414 4.0877 4.0877 4.1941 4.1941 4.6683 4.6683 5.0288 5.0288 8.2559 8.2559 8.3737 8.3737 9.1874 9.1874 9.4041 9.4041 9.7454 9.7454 k = 0.5000 0.2887 0.4824 ( 10592 PWs) bands (ev): -14.7559 -14.7559 -13.4115 -13.4115 -13.2119 -13.2119 -3.6260 -3.6260 -2.3389 -2.3389 -2.1608 -2.1608 -0.5073 -0.5073 -0.2391 -0.2391 0.0923 0.0923 0.5670 0.5670 0.9708 0.9708 1.0593 1.0593 2.5302 2.5302 3.1007 3.1007 3.2225 3.2225 3.3021 3.3021 3.3144 3.3144 3.4249 3.4249 3.5409 3.5409 3.5430 3.5430 3.6018 3.6018 3.6867 3.6867 3.8414 3.8414 4.0877 4.0877 4.1941 4.1941 4.6683 4.6683 5.0288 5.0288 8.2559 8.2559 8.3737 8.3737 9.1874 9.1874 9.4041 9.4041 9.7454 9.7454 k = 0.4917 0.3031 0.4824 ( 10596 PWs) bands (ev): -14.7559 -14.7559 -13.4113 -13.4113 -13.2121 -13.2121 -3.6261 -3.6261 -2.3390 -2.3390 -2.1612 -2.1612 -0.5060 -0.5060 -0.2379 -0.2379 0.0918 0.0918 0.5674 0.5674 0.9694 0.9694 1.0581 1.0581 2.5311 2.5311 3.1005 3.1005 3.2198 3.2198 3.3016 3.3016 3.3148 3.3148 3.4264 3.4264 3.5387 3.5387 3.5458 3.5458 3.6026 3.6026 3.6870 3.6870 3.8415 3.8415 4.0882 4.0882 4.1944 4.1944 4.6680 4.6680 5.0263 5.0263 8.2574 8.2574 8.3762 8.3762 9.1858 9.1858 9.4062 9.4062 9.7453 9.7453 k = 0.4833 0.3175 0.4824 ( 10600 PWs) bands (ev): -14.7559 -14.7559 -13.4105 -13.4105 -13.2130 -13.2130 -3.6263 -3.6263 -2.3392 -2.3392 -2.1626 -2.1626 -0.5023 -0.5023 -0.2345 -0.2345 0.0903 0.0903 0.5686 0.5686 0.9651 0.9651 1.0546 1.0546 2.5338 2.5338 3.0998 3.0998 3.2123 3.2123 3.2983 3.2983 3.3179 3.3179 3.4305 3.4305 3.5365 3.5365 3.5499 3.5499 3.6049 3.6049 3.6880 3.6880 3.8420 3.8420 4.0897 4.0897 4.1953 4.1953 4.6671 4.6671 5.0189 5.0189 8.2620 8.2620 8.3833 8.3833 9.1810 9.1810 9.4124 9.4124 9.7453 9.7453 k = 0.4750 0.3320 0.4824 ( 10604 PWs) bands (ev): -14.7558 -14.7558 -13.4092 -13.4092 -13.2144 -13.2144 -3.6267 -3.6267 -2.3394 -2.3394 -2.1648 -2.1648 -0.4961 -0.4961 -0.2289 -0.2289 0.0879 0.0879 0.5706 0.5706 0.9581 0.9581 1.0487 1.0487 2.5382 2.5382 3.0986 3.0986 3.2015 3.2015 3.2916 3.2916 3.3237 3.3237 3.4363 3.4363 3.5353 3.5353 3.5545 3.5545 3.6085 3.6085 3.6897 3.6897 3.8428 3.8428 4.0922 4.0922 4.1969 4.1969 4.6656 4.6656 5.0067 5.0067 8.2695 8.2695 8.3951 8.3951 9.1730 9.1730 9.4228 9.4228 9.7452 9.7452 k = 0.4667 0.3464 0.4824 ( 10604 PWs) bands (ev): -14.7557 -14.7557 -13.4074 -13.4074 -13.2163 -13.2163 -3.6271 -3.6271 -2.3398 -2.3398 -2.1679 -2.1679 -0.4876 -0.4876 -0.2212 -0.2212 0.0846 0.0846 0.5734 0.5734 0.9484 0.9484 1.0406 1.0406 2.5443 2.5443 3.0964 3.0964 3.1885 3.1885 3.2832 3.2832 3.3307 3.3307 3.4428 3.4428 3.5352 3.5352 3.5596 3.5596 3.6129 3.6129 3.6921 3.6921 3.8441 3.8441 4.0956 4.0956 4.1991 4.1991 4.6636 4.6636 4.9900 4.9900 8.2799 8.2799 8.4111 8.4111 9.1621 9.1621 9.4372 9.4372 9.7450 9.7450 k = 0.4583 0.3608 0.4824 ( 10596 PWs) bands (ev): -14.7555 -14.7555 -13.4050 -13.4050 -13.2188 -13.2188 -3.6277 -3.6277 -2.3402 -2.3402 -2.1717 -2.1717 -0.4768 -0.4768 -0.2114 -0.2114 0.0803 0.0803 0.5770 0.5770 0.9362 0.9362 1.0305 1.0305 2.5522 2.5522 3.0930 3.0930 3.1744 3.1744 3.2745 3.2745 3.3377 3.3377 3.4493 3.4493 3.5363 3.5363 3.5651 3.5651 3.6178 3.6178 3.6950 3.6950 3.8461 3.8461 4.0997 4.0997 4.2021 4.2021 4.6610 4.6610 4.9692 4.9692 8.2930 8.2930 8.4310 8.4310 9.1482 9.1482 9.4555 9.4555 9.7446 9.7446 k = 0.4500 0.3753 0.4824 ( 10606 PWs) bands (ev): -14.7553 -14.7553 -13.4022 -13.4022 -13.2218 -13.2218 -3.6284 -3.6284 -2.3407 -2.3407 -2.1761 -2.1761 -0.4640 -0.4640 -0.1998 -0.1998 0.0752 0.0752 0.5814 0.5814 0.9216 0.9216 1.0183 1.0183 2.5617 2.5617 3.0877 3.0877 3.1601 3.1601 3.2661 3.2661 3.3441 3.3441 3.4554 3.4554 3.5388 3.5388 3.5710 3.5710 3.6229 3.6229 3.6985 3.6985 3.8488 3.8488 4.1045 4.1045 4.2058 4.2058 4.6579 4.6579 4.9446 4.9446 8.3087 8.3087 8.4542 8.4542 9.1317 9.1317 9.4776 9.4776 9.7440 9.7440 k = 0.4417 0.3897 0.4824 ( 10594 PWs) bands (ev): -14.7551 -14.7551 -13.3989 -13.3989 -13.2253 -13.2253 -3.6292 -3.6292 -2.3412 -2.3412 -2.1810 -2.1810 -0.4492 -0.4492 -0.1865 -0.1865 0.0693 0.0693 0.5864 0.5864 0.9048 0.9048 1.0043 1.0043 2.5729 2.5729 3.0798 3.0798 3.1466 3.1466 3.2587 3.2587 3.3494 3.3494 3.4613 3.4613 3.5424 3.5424 3.5772 3.5772 3.6280 3.6280 3.7023 3.7023 3.8524 3.8524 4.1096 4.1096 4.2103 4.2103 4.6542 4.6542 4.9169 4.9169 8.3268 8.3268 8.4801 8.4801 9.1126 9.1126 9.5033 9.5033 9.7434 9.7434 k = 0.4333 0.4041 0.4824 ( 10606 PWs) bands (ev): -14.7549 -14.7549 -13.3950 -13.3950 -13.2294 -13.2294 -3.6301 -3.6301 -2.3418 -2.3418 -2.1863 -2.1863 -0.4327 -0.4327 -0.1717 -0.1717 0.0628 0.0628 0.5921 0.5921 0.8861 0.8861 0.9887 0.9887 2.5857 2.5857 3.0687 3.0687 3.1346 3.1346 3.2527 3.2527 3.3534 3.3534 3.4669 3.4669 3.5470 3.5470 3.5834 3.5834 3.6330 3.6330 3.7063 3.7063 3.8570 3.8570 4.1148 4.1148 4.2157 4.2157 4.6501 4.6501 4.8865 4.8865 8.3472 8.3472 8.5082 8.5082 9.0912 9.0912 9.5322 9.5322 9.7426 9.7426 k = 0.4250 0.4186 0.4824 ( 10606 PWs) bands (ev): -14.7547 -14.7547 -13.3907 -13.3907 -13.2340 -13.2340 -3.6310 -3.6310 -2.3424 -2.3424 -2.1919 -2.1919 -0.4148 -0.4148 -0.1557 -0.1557 0.0557 0.0557 0.5985 0.5985 0.8660 0.8660 0.9717 0.9717 2.6000 2.6000 3.0544 3.0544 3.1243 3.1243 3.2481 3.2481 3.3560 3.3560 3.4725 3.4725 3.5522 3.5522 3.5894 3.5894 3.6381 3.6381 3.7101 3.7101 3.8626 3.8626 4.1200 4.1200 4.2220 4.2220 4.6456 4.6456 4.8541 4.8541 8.3695 8.3695 8.5376 8.5376 9.0675 9.0675 9.5638 9.5638 9.7420 9.7420 k = 0.4167 0.4330 0.4824 ( 10602 PWs) bands (ev): -14.7544 -14.7544 -13.3859 -13.3859 -13.2391 -13.2391 -3.6319 -3.6319 -2.3430 -2.3430 -2.1976 -2.1976 -0.3956 -0.3956 -0.1389 -0.1389 0.0481 0.0481 0.6053 0.6053 0.8446 0.8446 0.9535 0.9535 2.6158 2.6158 3.0375 3.0375 3.1152 3.1152 3.2452 3.2452 3.3572 3.3572 3.4782 3.4782 3.5577 3.5577 3.5949 3.5949 3.6433 3.6433 3.7137 3.7137 3.8691 3.8691 4.1250 4.1250 4.2291 4.2291 4.6406 4.6406 4.8206 4.8206 8.3938 8.3938 8.5677 8.5677 9.0419 9.0419 9.5975 9.5975 9.7419 9.7419 k = 0.4083 0.4474 0.4824 ( 10594 PWs) bands (ev): -14.7542 -14.7542 -13.3806 -13.3806 -13.2446 -13.2446 -3.6329 -3.6329 -2.3436 -2.3436 -2.2032 -2.2032 -0.3756 -0.3756 -0.1216 -0.1216 0.0405 0.0405 0.6125 0.6125 0.8228 0.8228 0.9342 0.9342 2.6330 2.6330 3.0187 3.0187 3.1070 3.1070 3.2439 3.2439 3.3570 3.3570 3.4841 3.4841 3.5635 3.5635 3.5995 3.5995 3.6490 3.6490 3.7169 3.7169 3.8763 3.8763 4.1295 4.1295 4.2369 4.2369 4.6352 4.6352 4.7866 4.7866 8.4197 8.4197 8.5976 8.5976 9.0145 9.0145 9.6321 9.6321 9.7428 9.7428 k = 0.4000 0.4619 0.4824 ( 10606 PWs) bands (ev): -14.7539 -14.7539 -13.3749 -13.3749 -13.2506 -13.2506 -3.6339 -3.6339 -2.3442 -2.3442 -2.2087 -2.2087 -0.3552 -0.3552 -0.1044 -0.1044 0.0329 0.0329 0.6198 0.6198 0.8010 0.8010 0.9142 0.9142 2.6515 2.6515 2.9988 2.9988 3.0991 3.0991 3.2441 3.2441 3.3556 3.3556 3.4900 3.4900 3.5691 3.5691 3.6030 3.6030 3.6551 3.6551 3.7199 3.7199 3.8839 3.8839 4.1334 4.1334 4.2454 4.2454 4.6294 4.6294 4.7531 4.7531 8.4471 8.4471 8.6268 8.6268 8.9854 8.9854 9.6658 9.6658 9.7460 9.7460 k = 0.3917 0.4763 0.4824 ( 10602 PWs) bands (ev): -14.7537 -14.7537 -13.3686 -13.3686 -13.2571 -13.2571 -3.6348 -3.6348 -2.3447 -2.3447 -2.2139 -2.2139 -0.3347 -0.3347 -0.0879 -0.0879 0.0259 0.0259 0.6267 0.6267 0.7803 0.7803 0.8938 0.8938 2.6712 2.6712 2.9783 2.9783 3.0913 3.0913 3.2456 3.2456 3.3532 3.3532 3.4959 3.4959 3.5745 3.5745 3.6055 3.6055 3.6616 3.6616 3.7227 3.7227 3.8915 3.8915 4.1367 4.1367 4.2541 4.2541 4.6229 4.6229 4.7213 4.7213 8.4759 8.4759 8.6543 8.6543 8.9547 8.9547 9.6953 9.6953 9.7540 9.7540 k = 0.3833 0.4907 0.4824 ( 10598 PWs) bands (ev): -14.7535 -14.7535 -13.3620 -13.3620 -13.2640 -13.2640 -3.6357 -3.6357 -2.3453 -2.3453 -2.2187 -2.2187 -0.3147 -0.3147 -0.0729 -0.0729 0.0200 0.0200 0.6326 0.6326 0.7620 0.7620 0.8731 0.8731 2.6919 2.6919 2.9574 2.9574 3.0837 3.0837 3.2481 3.2481 3.3501 3.3501 3.5016 3.5016 3.5796 3.5796 3.6069 3.6069 3.6682 3.6682 3.7254 3.7254 3.8987 3.8987 4.1392 4.1392 4.2628 4.2628 4.6155 4.6155 4.6925 4.6925 8.5059 8.5059 8.6795 8.6795 8.9228 8.9228 9.7161 9.7161 9.7703 9.7703 k = 0.3750 0.5052 0.4824 ( 10594 PWs) bands (ev): -14.7533 -14.7533 -13.3549 -13.3549 -13.2713 -13.2713 -3.6365 -3.6365 -2.3458 -2.3458 -2.2229 -2.2229 -0.2959 -0.2959 -0.0604 -0.0604 0.0161 0.0161 0.6364 0.6364 0.7478 0.7478 0.8526 0.8526 2.7134 2.7134 2.9365 2.9365 3.0764 3.0764 3.2514 3.2514 3.3464 3.3464 3.5069 3.5069 3.5842 3.5842 3.6075 3.6075 3.6746 3.6746 3.7281 3.7281 3.9051 3.9051 4.1411 4.1411 4.2709 4.2709 4.6067 4.6067 4.6684 4.6684 8.5371 8.5371 8.7019 8.7019 8.8896 8.8896 9.7287 9.7287 9.7929 9.7929 k = 0.3667 0.5196 0.4824 ( 10590 PWs) bands (ev): -14.7531 -14.7531 -13.3474 -13.3474 -13.2791 -13.2791 -3.6372 -3.6372 -2.3463 -2.3463 -2.2264 -2.2264 -0.2790 -0.2790 -0.0514 -0.0514 0.0149 0.0149 0.6369 0.6369 0.7394 0.7394 0.8325 0.8325 2.7354 2.7354 2.9159 2.9159 3.0696 3.0696 3.2552 3.2552 3.3425 3.3425 3.5116 3.5116 3.5884 3.5884 3.6073 3.6073 3.6806 3.6806 3.7307 3.7307 3.9104 3.9104 4.1424 4.1424 4.2781 4.2781 4.5962 4.5962 4.6503 4.6503 8.5692 8.5692 8.7207 8.7207 8.8555 8.8555 9.7385 9.7385 9.8150 9.8150 k = 0.3583 0.5340 0.4824 ( 10578 PWs) bands (ev): -14.7529 -14.7529 -13.3394 -13.3394 -13.2871 -13.2871 -3.6378 -3.6378 -2.3467 -2.3467 -2.2293 -2.2293 -0.2647 -0.2647 -0.0460 -0.0460 0.0162 0.0162 0.6340 0.6340 0.7380 0.7380 0.8132 0.8132 2.7573 2.7573 2.8958 2.8958 3.0635 3.0635 3.2590 3.2590 3.3387 3.3387 3.5157 3.5157 3.5920 3.5920 3.6065 3.6065 3.6859 3.6859 3.7330 3.7330 3.9142 3.9142 4.1433 4.1433 4.2838 4.2838 4.5852 4.5852 4.6382 4.6382 8.6023 8.6023 8.7356 8.7356 8.8207 8.8207 9.7483 9.7483 9.8321 9.8321 k = 0.3500 0.5485 0.4824 ( 10586 PWs) bands (ev): -14.7528 -14.7528 -13.3311 -13.3311 -13.2956 -13.2956 -3.6382 -3.6382 -2.3471 -2.3471 -2.2313 -2.2313 -0.2540 -0.2540 -0.0432 -0.0432 0.0188 0.0188 0.6292 0.6292 0.7425 0.7425 0.7953 0.7953 2.7781 2.7781 2.8769 2.8769 3.0585 3.0585 3.2624 3.2624 3.3353 3.3353 3.5188 3.5188 3.5952 3.5952 3.6053 3.6053 3.6904 3.6904 3.7346 3.7346 3.9166 3.9166 4.1437 4.1437 4.2877 4.2877 4.5758 4.5758 4.6308 4.6308 8.6363 8.6363 8.7453 8.7453 8.7864 8.7864 9.7590 9.7590 9.8418 9.8418 k = 0.3417 0.5629 0.4824 ( 10602 PWs) bands (ev): -14.7527 -14.7527 -13.3224 -13.3224 -13.3043 -13.3043 -3.6385 -3.6385 -2.3473 -2.3473 -2.2325 -2.2325 -0.2474 -0.2474 -0.0417 -0.0417 0.0210 0.0210 0.6251 0.6251 0.7512 0.7512 0.7791 0.7791 2.7957 2.7957 2.8611 2.8611 3.0550 3.0550 3.2649 3.2649 3.3329 3.3329 3.5208 3.5208 3.5978 3.5978 3.6037 3.6037 3.6937 3.6937 3.7354 3.7354 3.9177 3.9177 4.1440 4.1440 4.2899 4.2899 4.5698 4.5698 4.6267 4.6267 8.6709 8.6709 8.7391 8.7391 8.7634 8.7634 9.7693 9.7693 9.8440 9.8440 k = 0.3333 0.5774 0.4824 ( 10590 PWs) bands (ev): -14.7527 -14.7527 -13.3134 -13.3134 -13.3134 -13.3134 -3.6386 -3.6386 -2.3474 -2.3474 -2.2330 -2.2330 -0.2453 -0.2453 -0.0410 -0.0410 0.0217 0.0217 0.6234 0.6234 0.7597 0.7597 0.7683 0.7683 2.8036 2.8036 2.8540 2.8540 3.0537 3.0537 3.2658 3.2658 3.3320 3.3320 3.5215 3.5215 3.5991 3.5991 3.6027 3.6027 3.6950 3.6950 3.7355 3.7355 3.9180 3.9180 4.1441 4.1441 4.2905 4.2905 4.5679 4.5679 4.6254 4.6254 8.7024 8.7024 8.7108 8.7108 8.7619 8.7619 9.7748 9.7748 9.8427 9.8427 k = 0.3333 0.5774 0.4824 ( 10590 PWs) bands (ev): -14.7527 -14.7527 -13.3134 -13.3134 -13.3134 -13.3134 -3.6386 -3.6386 -2.3474 -2.3474 -2.2330 -2.2330 -0.2453 -0.2453 -0.0410 -0.0410 0.0217 0.0217 0.6234 0.6234 0.7597 0.7597 0.7683 0.7683 2.8036 2.8036 2.8540 2.8540 3.0537 3.0537 3.2658 3.2658 3.3320 3.3320 3.5215 3.5215 3.5991 3.5991 3.6027 3.6027 3.6950 3.6950 3.7355 3.7355 3.9180 3.9180 4.1441 4.1441 4.2905 4.2905 4.5679 4.5679 4.6254 4.6254 8.7024 8.7024 8.7108 8.7108 8.7619 8.7619 9.7748 9.7748 9.8427 9.8427 k = 0.3250 0.5629 0.4824 ( 10596 PWs) bands (ev): -14.7527 -14.7527 -13.3228 -13.3228 -13.3040 -13.3040 -3.6385 -3.6385 -2.3473 -2.3473 -2.2325 -2.2325 -0.2473 -0.2473 -0.0421 -0.0421 0.0212 0.0212 0.6253 0.6253 0.7514 0.7514 0.7789 0.7789 2.7963 2.7963 2.8601 2.8601 3.0552 3.0552 3.2648 3.2648 3.3329 3.3329 3.5207 3.5207 3.5977 3.5977 3.6038 3.6038 3.6933 3.6933 3.7358 3.7358 3.9179 3.9179 4.1440 4.1440 4.2901 4.2901 4.5695 4.5695 4.6268 4.6268 8.6698 8.6698 8.7428 8.7428 8.7609 8.7609 9.7659 9.7659 9.8475 9.8475 k = 0.3167 0.5485 0.4824 ( 10582 PWs) bands (ev): -14.7528 -14.7528 -13.3323 -13.3323 -13.2944 -13.2944 -3.6382 -3.6382 -2.3470 -2.3470 -2.2314 -2.2314 -0.2531 -0.2531 -0.0468 -0.0468 0.0201 0.0201 0.6314 0.6314 0.7427 0.7427 0.7944 0.7944 2.7813 2.7813 2.8713 2.8713 3.0605 3.0605 3.2620 3.2620 3.3356 3.3356 3.5183 3.5183 3.5945 3.5945 3.6056 3.6056 3.6880 3.6880 3.7371 3.7371 3.9180 3.9180 4.1436 4.1436 4.2891 4.2891 4.5738 4.5738 4.6313 4.6313 8.6327 8.6327 8.7566 8.7566 8.7795 8.7795 9.7389 9.7389 9.8628 9.8628 k = 0.3083 0.5340 0.4824 ( 10586 PWs) bands (ev): -14.7530 -14.7530 -13.3422 -13.3422 -13.2844 -13.2844 -3.6377 -3.6377 -2.3463 -2.3463 -2.2294 -2.2294 -0.2619 -0.2619 -0.0564 -0.0564 0.0196 0.0196 0.6416 0.6416 0.7371 0.7371 0.8114 0.8114 2.7641 2.7641 2.8811 2.8811 3.0699 3.0699 3.2577 3.2577 3.3396 3.3396 3.5141 3.5141 3.5902 3.5902 3.6071 3.6071 3.6797 3.6797 3.7397 3.7397 3.9185 3.9185 4.1429 4.1429 4.2882 4.2882 4.5796 4.5796 4.6393 4.6393 8.5954 8.5954 8.7499 8.7499 8.8161 8.8161 9.6985 9.6985 9.8848 9.8848 k = 0.3000 0.5196 0.4824 ( 10582 PWs) bands (ev): -14.7532 -14.7532 -13.3522 -13.3522 -13.2741 -13.2741 -3.6369 -3.6369 -2.3453 -2.3453 -2.2268 -2.2268 -0.2732 -0.2732 -0.0715 -0.0715 0.0195 0.0195 0.6555 0.6555 0.7352 0.7352 0.8296 0.8296 2.7463 2.7463 2.8876 2.8876 3.0833 3.0833 3.2526 3.2526 3.3443 3.3443 3.5079 3.5079 3.5841 3.5841 3.6081 3.6081 3.6707 3.6707 3.7434 3.7434 3.9195 3.9195 4.1416 4.1416 4.2877 4.2877 4.5860 4.5860 4.6511 4.6511 8.5583 8.5583 8.7405 8.7405 8.8529 8.8529 9.6488 9.6488 9.9108 9.9108 k = 0.2917 0.5052 0.4824 ( 10590 PWs) bands (ev): -14.7534 -14.7534 -13.3624 -13.3624 -13.2636 -13.2636 -3.6359 -3.6359 -2.3439 -2.3439 -2.2235 -2.2235 -0.2862 -0.2862 -0.0913 -0.0913 0.0191 0.0191 0.6724 0.6724 0.7372 0.7372 0.8488 0.8488 2.7286 2.7286 2.8907 2.8907 3.0995 3.0995 3.2476 3.2476 3.3488 3.3488 3.4995 3.4995 3.5758 3.5758 3.6083 3.6083 3.6633 3.6633 3.7478 3.7478 3.9206 3.9206 4.1398 4.1398 4.2875 4.2875 4.5927 4.5927 4.6665 4.6665 8.5217 8.5217 8.7288 8.7288 8.8893 8.8893 9.5923 9.5923 9.9395 9.9395 k = 0.2833 0.4907 0.4824 ( 10590 PWs) bands (ev): -14.7538 -14.7538 -13.3727 -13.3727 -13.2529 -13.2529 -3.6347 -3.6347 -2.3422 -2.3422 -2.2196 -2.2196 -0.3006 -0.3006 -0.1146 -0.1146 0.0176 0.0176 0.6916 0.6916 0.7434 0.7434 0.8689 0.8689 2.7111 2.7111 2.8908 2.8908 3.1166 3.1166 3.2440 3.2440 3.3522 3.3522 3.4888 3.4888 3.5657 3.5657 3.6077 3.6077 3.6592 3.6592 3.7526 3.7526 3.9217 3.9217 4.1375 4.1375 4.2879 4.2879 4.5998 4.5998 4.6850 4.6850 8.4858 8.4858 8.7153 8.7153 8.9248 8.9248 9.5311 9.5311 9.9702 9.9702 k = 0.2750 0.4763 0.4824 ( 10592 PWs) bands (ev): -14.7542 -14.7542 -13.3832 -13.3832 -13.2420 -13.2420 -3.6333 -3.6333 -2.3399 -2.3399 -2.2151 -2.2151 -0.3160 -0.3160 -0.1406 -0.1406 0.0144 0.0144 0.7123 0.7123 0.7540 0.7540 0.8898 0.8898 2.6939 2.6939 2.8886 2.8886 3.1319 3.1319 3.2434 3.2434 3.3530 3.3530 3.4767 3.4767 3.5550 3.5550 3.6066 3.6066 3.6585 3.6585 3.7575 3.7575 3.9225 3.9225 4.1347 4.1347 4.2886 4.2886 4.6077 4.6077 4.7061 4.7061 8.4507 8.4507 8.7002 8.7002 8.9587 8.9587 9.4669 9.4669 10.0024 10.0024 k = 0.2667 0.4619 0.4824 ( 10590 PWs) bands (ev): -14.7546 -14.7546 -13.3937 -13.3937 -13.2310 -13.2310 -3.6316 -3.6316 -2.3373 -2.3373 -2.2102 -2.2102 -0.3320 -0.3320 -0.1684 -0.1684 0.0092 0.0092 0.7336 0.7336 0.7688 0.7688 0.9115 0.9115 2.6772 2.6772 2.8848 2.8848 3.1423 3.1423 3.2480 3.2480 3.3492 3.3492 3.4653 3.4653 3.5448 3.5448 3.6053 3.6053 3.6605 3.6605 3.7625 3.7625 3.9225 3.9225 4.1315 4.1315 4.2894 4.2894 4.6167 4.6167 4.7294 4.7294 8.4167 8.4167 8.6839 8.6839 8.9895 8.9895 9.4016 9.4016 10.0360 10.0360 k = 0.2583 0.4474 0.4824 ( 10602 PWs) bands (ev): -14.7552 -14.7552 -13.4043 -13.4043 -13.2198 -13.2198 -3.6298 -3.6298 -2.3343 -2.3343 -2.2049 -2.2049 -0.3485 -0.3485 -0.1974 -0.1974 0.0022 0.0022 0.7551 0.7551 0.7877 0.7877 0.9338 0.9338 2.6609 2.6609 2.8798 2.8798 3.1459 3.1459 3.2584 3.2584 3.3390 3.3390 3.4574 3.4574 3.5359 3.5359 3.6041 3.6041 3.6644 3.6644 3.7674 3.7674 3.9216 3.9216 4.1282 4.1282 4.2903 4.2903 4.6270 4.6270 4.7544 4.7544 8.3841 8.3841 8.6667 8.6667 9.0148 9.0148 9.3380 9.3380 10.0705 10.0705 k = 0.2500 0.4330 0.4824 ( 10588 PWs) bands (ev): -14.7558 -14.7558 -13.4149 -13.4149 -13.2085 -13.2085 -3.6277 -3.6277 -2.3308 -2.3308 -2.1991 -2.1991 -0.3652 -0.3652 -0.2270 -0.2270 -0.0066 -0.0066 0.7769 0.7769 0.8098 0.8098 0.9568 0.9568 2.6451 2.6451 2.8740 2.8740 3.1434 3.1434 3.2714 3.2714 3.3235 3.3235 3.4547 3.4547 3.5283 3.5283 3.6031 3.6031 3.6698 3.6698 3.7723 3.7723 3.9197 3.9197 4.1249 4.1249 4.2909 4.2909 4.6388 4.6388 4.7809 4.7809 8.3529 8.3529 8.6487 8.6487 9.0297 9.0297 9.2812 9.2812 10.1058 10.1058 k = 0.2417 0.4186 0.4824 ( 10596 PWs) bands (ev): -14.7564 -14.7564 -13.4255 -13.4255 -13.1971 -13.1971 -3.6255 -3.6255 -2.3270 -2.3270 -2.1931 -2.1931 -0.3820 -0.3820 -0.2568 -0.2568 -0.0170 -0.0170 0.7993 0.7993 0.8339 0.8339 0.9802 0.9802 2.6297 2.6297 2.8675 2.8675 3.1368 3.1368 3.2747 3.2747 3.3138 3.3138 3.4565 3.4565 3.5221 3.5221 3.6023 3.6023 3.6762 3.6762 3.7769 3.7769 3.9167 3.9167 4.1217 4.1217 4.2913 4.2913 4.6523 4.6523 4.8087 4.8087 8.3233 8.3233 8.6301 8.6301 9.0253 9.0253 9.2395 9.2395 10.1418 10.1418 k = 0.2333 0.4041 0.4824 ( 10592 PWs) bands (ev): -14.7572 -14.7572 -13.4361 -13.4361 -13.1857 -13.1857 -3.6231 -3.6231 -2.3229 -2.3229 -2.1867 -2.1867 -0.3987 -0.3987 -0.2865 -0.2865 -0.0286 -0.0286 0.8226 0.8226 0.8591 0.8591 1.0040 1.0040 2.6149 2.6149 2.8606 2.8606 3.1277 3.1277 3.2547 3.2547 3.3234 3.3234 3.4611 3.4611 3.5176 3.5176 3.6018 3.6018 3.6836 3.6836 3.7813 3.7813 3.9127 3.9127 4.1188 4.1188 4.2911 4.2911 4.6677 4.6677 4.8377 4.8377 8.2955 8.2955 8.6112 8.6112 8.9943 8.9943 9.2199 9.2199 10.1782 10.1782 k = 0.2250 0.3897 0.4824 ( 10596 PWs) bands (ev): -14.7579 -14.7579 -13.4466 -13.4466 -13.1743 -13.1743 -3.6205 -3.6205 -2.3185 -2.3185 -2.1802 -2.1802 -0.4152 -0.4152 -0.3156 -0.3156 -0.0411 -0.0411 0.8468 0.8468 0.8848 0.8848 1.0280 1.0280 2.6005 2.6005 2.8532 2.8532 3.1170 3.1170 3.2254 3.2254 3.3385 3.3385 3.4663 3.4663 3.5155 3.5155 3.6016 3.6016 3.6918 3.6918 3.7854 3.7854 3.9076 3.9076 4.1165 4.1165 4.2905 4.2905 4.6851 4.6851 4.8677 4.8677 8.2695 8.2695 8.5920 8.5920 8.9415 8.9415 9.2169 9.2169 10.2149 10.2149 k = 0.2167 0.3753 0.4824 ( 10596 PWs) bands (ev): -14.7588 -14.7588 -13.4570 -13.4570 -13.1629 -13.1629 -3.6178 -3.6178 -2.3139 -2.3139 -2.1734 -2.1734 -0.4315 -0.4315 -0.3440 -0.3440 -0.0543 -0.0543 0.8718 0.8718 0.9106 0.9106 1.0521 1.0521 2.5866 2.5866 2.8456 2.8456 3.1052 3.1052 3.1936 3.1936 3.3528 3.3528 3.4700 3.4700 3.5171 3.5171 3.6017 3.6017 3.7007 3.7007 3.7892 3.7892 3.9018 3.9018 4.1148 4.1148 4.2892 4.2892 4.7047 4.7047 4.8986 4.8986 8.2456 8.2456 8.5727 8.5727 8.8774 8.8774 9.2191 9.2191 10.2518 10.2518 k = 0.2083 0.3608 0.4824 ( 10608 PWs) bands (ev): -14.7596 -14.7596 -13.4673 -13.4673 -13.1515 -13.1515 -3.6150 -3.6150 -2.3090 -2.3090 -2.1665 -2.1665 -0.4473 -0.4473 -0.3714 -0.3714 -0.0680 -0.0680 0.8974 0.8974 0.9364 0.9364 1.0761 1.0761 2.5731 2.5731 2.8377 2.8377 3.0925 3.0925 3.1610 3.1610 3.3649 3.3649 3.4708 3.4708 3.5228 3.5228 3.6024 3.6024 3.7101 3.7101 3.7924 3.7924 3.8954 3.8954 4.1139 4.1139 4.2874 4.2874 4.7265 4.7265 4.9303 4.9303 8.2238 8.2238 8.5533 8.5533 8.8080 8.8080 9.2195 9.2195 10.2887 10.2887 k = 0.2000 0.3464 0.4824 ( 10620 PWs) bands (ev): -14.7606 -14.7606 -13.4775 -13.4775 -13.1403 -13.1403 -3.6121 -3.6121 -2.3041 -2.3041 -2.1595 -2.1595 -0.4627 -0.4627 -0.3977 -0.3977 -0.0819 -0.0819 0.9233 0.9233 0.9619 0.9619 1.0998 1.0998 2.5602 2.5602 2.8296 2.8296 3.0790 3.0790 3.1286 3.1286 3.3745 3.3745 3.4690 3.4690 3.5317 3.5317 3.6037 3.6037 3.7199 3.7199 3.7950 3.7950 3.8887 3.8887 4.1140 4.1140 4.2849 4.2849 4.7505 4.7505 4.9626 4.9626 8.2042 8.2042 8.5340 8.5340 8.7366 8.7366 9.2140 9.2140 10.3255 10.3255 k = 0.1917 0.3320 0.4824 ( 10608 PWs) bands (ev): -14.7615 -14.7615 -13.4875 -13.4875 -13.1291 -13.1291 -3.6091 -3.6091 -2.2991 -2.2991 -2.1525 -2.1525 -0.4776 -0.4776 -0.4226 -0.4226 -0.0958 -0.0958 0.9495 0.9495 0.9870 0.9870 1.1230 1.1230 2.5477 2.5477 2.8213 2.8213 3.0639 3.0639 3.0977 3.0977 3.3817 3.3817 3.4655 3.4655 3.5417 3.5417 3.6058 3.6058 3.7296 3.7296 3.7969 3.7969 3.8820 3.8820 4.1153 4.1153 4.2819 4.2819 4.7769 4.7769 4.9956 4.9956 8.1867 8.1867 8.5147 8.5147 8.6646 8.6646 9.2009 9.2009 10.3619 10.3619 k = 0.1833 0.3175 0.4824 ( 10604 PWs) bands (ev): -14.7625 -14.7625 -13.4973 -13.4973 -13.1182 -13.1182 -3.6061 -3.6061 -2.2941 -2.2941 -2.1455 -2.1455 -0.4919 -0.4919 -0.4461 -0.4461 -0.1096 -0.1096 0.9756 0.9756 1.0118 1.0118 1.1457 1.1457 2.5356 2.5356 2.8129 2.8129 3.0451 3.0451 3.0710 3.0710 3.3868 3.3868 3.4611 3.4611 3.5513 3.5513 3.6089 3.6089 3.7390 3.7390 3.7978 3.7978 3.8758 3.8758 4.1180 4.1180 4.2783 4.2783 4.8057 4.8057 5.0290 5.0290 8.1713 8.1713 8.4953 8.4953 8.5930 8.5930 9.1790 9.1790 10.3979 10.3979 k = 0.1750 0.3031 0.4824 ( 10596 PWs) bands (ev): -14.7635 -14.7635 -13.5068 -13.5068 -13.1074 -13.1074 -3.6031 -3.6031 -2.2892 -2.2892 -2.1386 -2.1386 -0.5055 -0.5055 -0.4679 -0.4679 -0.1231 -0.1231 1.0015 1.0015 1.0360 1.0360 1.1675 1.1675 2.5240 2.5240 2.8042 2.8042 3.0201 3.0201 3.0511 3.0511 3.3901 3.3901 3.4561 3.4561 3.5595 3.5595 3.6131 3.6131 3.7477 3.7477 3.7979 3.7979 3.8702 3.8702 4.1221 4.1221 4.2744 4.2744 4.8368 4.8368 5.0629 5.0629 8.1582 8.1582 8.4749 8.4749 8.5234 8.5234 9.1485 9.1485 10.4333 10.4333 k = 0.1667 0.2887 0.4824 ( 10588 PWs) bands (ev): -14.7646 -14.7646 -13.5161 -13.5161 -13.0969 -13.0969 -3.6001 -3.6001 -2.2844 -2.2844 -2.1317 -2.1317 -0.5186 -0.5186 -0.4881 -0.4881 -0.1362 -0.1362 1.0272 1.0272 1.0598 1.0598 1.1883 1.1883 2.5127 2.5127 2.7954 2.7954 2.9916 2.9916 3.0356 3.0356 3.3920 3.3920 3.4508 3.4508 3.5661 3.5661 3.6183 3.6183 3.7550 3.7550 3.7972 3.7972 3.8657 3.8657 4.1276 4.1276 4.2702 4.2702 4.8701 4.8701 5.0969 5.0969 8.1471 8.1471 8.4412 8.4412 8.4683 8.4683 9.1097 9.1097 10.4676 10.4676 k = 0.1583 0.2742 0.4824 ( 10584 PWs) bands (ev): -14.7656 -14.7656 -13.5252 -13.5252 -13.0866 -13.0866 -3.5971 -3.5971 -2.2797 -2.2797 -2.1250 -2.1250 -0.5310 -0.5310 -0.5065 -0.5065 -0.1489 -0.1489 1.0524 1.0524 1.0829 1.0829 1.2081 1.2081 2.5019 2.5019 2.7865 2.7865 2.9626 2.9626 3.0218 3.0218 3.3926 3.3926 3.4453 3.4453 3.5709 3.5709 3.6240 3.6240 3.7600 3.7600 3.7966 3.7966 3.8623 3.8623 4.1345 4.1345 4.2658 4.2658 4.9057 4.9057 5.1311 5.1311 8.1381 8.1381 8.3779 8.3779 8.4446 8.4446 9.0638 9.0638 10.5001 10.5001 k = 0.1500 0.2598 0.4824 ( 10584 PWs) bands (ev): -14.7667 -14.7667 -13.5339 -13.5339 -13.0766 -13.0766 -3.5942 -3.5942 -2.2752 -2.2752 -2.1186 -2.1186 -0.5427 -0.5427 -0.5231 -0.5231 -0.1611 -0.1611 1.0771 1.0771 1.1055 1.1055 1.2267 1.2267 2.4914 2.4914 2.7774 2.7774 2.9342 2.9342 3.0088 3.0088 3.3922 3.3922 3.4397 3.4397 3.5745 3.5745 3.6298 3.6298 3.7620 3.7620 3.7971 3.7971 3.8599 3.8599 4.1426 4.1426 4.2614 4.2614 4.9434 4.9434 5.1652 5.1652 8.1310 8.1310 8.3113 8.3113 8.4261 8.4261 9.0120 9.0120 10.5277 10.5277 k = 0.1417 0.2454 0.4824 ( 10578 PWs) bands (ev): -14.7677 -14.7677 -13.5423 -13.5423 -13.0669 -13.0669 -3.5913 -3.5913 -2.2710 -2.2710 -2.1123 -2.1123 -0.5539 -0.5539 -0.5378 -0.5378 -0.1727 -0.1727 1.1012 1.1012 1.1274 1.1274 1.2440 1.2440 2.4812 2.4812 2.7682 2.7682 2.9067 2.9067 2.9962 2.9962 3.3910 3.3910 3.4338 3.4338 3.5771 3.5771 3.6351 3.6351 3.7605 3.7605 3.7995 3.7995 3.8582 3.8582 4.1515 4.1515 4.2572 4.2572 4.9830 4.9830 5.1992 5.1992 8.1256 8.1256 8.2460 8.2460 8.4086 8.4086 8.9556 8.9556 10.5483 10.5483 k = 0.1333 0.2309 0.4824 ( 10554 PWs) bands (ev): -14.7688 -14.7688 -13.5503 -13.5503 -13.0576 -13.0576 -3.5885 -3.5885 -2.2670 -2.2670 -2.1064 -2.1064 -0.5643 -0.5643 -0.5506 -0.5506 -0.1836 -0.1836 1.1245 1.1245 1.1487 1.1487 1.2599 1.2599 2.4713 2.4713 2.7589 2.7589 2.8803 2.8803 2.9842 2.9842 3.3892 3.3892 3.4279 3.4279 3.5791 3.5791 3.6395 3.6395 3.7567 3.7567 3.8032 3.8032 3.8572 3.8572 4.1608 4.1608 4.2535 4.2535 5.0243 5.0243 5.2329 5.2329 8.1215 8.1215 8.1828 8.1828 8.3918 8.3918 8.8960 8.8960 10.5656 10.5656 k = 0.1250 0.2165 0.4824 ( 10550 PWs) bands (ev): -14.7698 -14.7698 -13.5580 -13.5580 -13.0487 -13.0487 -3.5859 -3.5859 -2.2633 -2.2633 -2.1008 -2.1008 -0.5741 -0.5741 -0.5617 -0.5617 -0.1939 -0.1939 1.1471 1.1471 1.1691 1.1691 1.2744 1.2744 2.4617 2.4617 2.7495 2.7495 2.8552 2.8552 2.9726 2.9726 3.3869 3.3869 3.4218 3.4218 3.5806 3.5806 3.6428 3.6428 3.7517 3.7517 3.8076 3.8076 3.8565 3.8565 4.1700 4.1700 4.2505 4.2505 5.0670 5.0670 5.2660 5.2660 8.1109 8.1109 8.1295 8.1295 8.3755 8.3755 8.8343 8.8343 10.5805 10.5805 k = 0.1167 0.2021 0.4824 ( 10534 PWs) bands (ev): -14.7708 -14.7708 -13.5653 -13.5653 -13.0402 -13.0402 -3.5833 -3.5833 -2.2599 -2.2599 -2.0955 -2.0955 -0.5830 -0.5830 -0.5713 -0.5713 -0.2035 -0.2035 1.1688 1.1688 1.1888 1.1888 1.2874 1.2874 2.4524 2.4524 2.7401 2.7401 2.8315 2.8315 2.9615 2.9615 3.3843 3.3843 3.4158 3.4158 3.5817 3.5817 3.6447 3.6447 3.7465 3.7465 3.8123 3.8123 3.8560 3.8560 4.1783 4.1783 4.2488 4.2488 5.1108 5.1108 5.2986 5.2986 8.0580 8.0580 8.1220 8.1220 8.3598 8.3598 8.7717 8.7717 10.5921 10.5921 k = 0.1083 0.1876 0.4824 ( 10538 PWs) bands (ev): -14.7717 -14.7717 -13.5721 -13.5721 -13.0321 -13.0321 -3.5809 -3.5809 -2.2567 -2.2567 -2.0906 -2.0906 -0.5908 -0.5908 -0.5796 -0.5796 -0.2124 -0.2124 1.1896 1.1896 1.2076 1.2076 1.2991 1.2991 2.4433 2.4433 2.7307 2.7307 2.8093 2.8093 2.9510 2.9510 3.3814 3.3814 3.4097 3.4097 3.5826 3.5826 3.6453 3.6453 3.7417 3.7417 3.8170 3.8170 3.8556 3.8556 4.1851 4.1851 4.2489 4.2489 5.1553 5.1553 5.3302 5.3302 8.0010 8.0010 8.1221 8.1221 8.3447 8.3447 8.7091 8.7091 10.6000 10.6000 k = 0.1000 0.1732 0.4824 ( 10538 PWs) bands (ev): -14.7727 -14.7727 -13.5786 -13.5786 -13.0245 -13.0245 -3.5786 -3.5786 -2.2539 -2.2539 -2.0862 -2.0862 -0.5976 -0.5976 -0.5868 -0.5868 -0.2205 -0.2205 1.2094 1.2094 1.2255 1.2255 1.3093 1.3093 2.4345 2.4345 2.7212 2.7212 2.7887 2.7887 2.9411 2.9411 3.3785 3.3785 3.4037 3.4037 3.5832 3.5832 3.6447 3.6447 3.7376 3.7376 3.8215 3.8215 3.8554 3.8554 4.1898 4.1898 4.2511 4.2511 5.2000 5.2000 5.3608 5.3608 7.9460 7.9460 8.1238 8.1238 8.3303 8.3303 8.6476 8.6476 10.6039 10.6039 k = 0.0917 0.1588 0.4824 ( 10542 PWs) bands (ev): -14.7735 -14.7735 -13.5846 -13.5846 -13.0175 -13.0175 -3.5765 -3.5765 -2.2513 -2.2513 -2.0821 -2.0821 -0.6033 -0.6033 -0.5931 -0.5931 -0.2280 -0.2280 1.2281 1.2281 1.2423 1.2423 1.3182 1.3182 2.4259 2.4259 2.7119 2.7119 2.7698 2.7698 2.9317 2.9317 3.3754 3.3754 3.3979 3.3979 3.5836 3.5836 3.6430 3.6430 3.7342 3.7342 3.8260 3.8260 3.8551 3.8551 4.1922 4.1922 4.2555 4.2555 5.2446 5.2446 5.3902 5.3902 7.8935 7.8935 8.1264 8.1264 8.3164 8.3164 8.5879 8.5879 10.6041 10.6041 k = 0.0833 0.1443 0.4824 ( 10562 PWs) bands (ev): -14.7744 -14.7744 -13.5901 -13.5901 -13.0109 -13.0109 -3.5746 -3.5746 -2.2491 -2.2491 -2.0785 -2.0785 -0.6080 -0.6080 -0.5984 -0.5984 -0.2347 -0.2347 1.2456 1.2456 1.2580 1.2580 1.3258 1.3258 2.4177 2.4177 2.7027 2.7027 2.7527 2.7527 2.9231 2.9231 3.3725 3.3725 3.3923 3.3923 3.5836 3.5836 3.6406 3.6406 3.7316 3.7316 3.8303 3.8303 3.8549 3.8549 4.1928 4.1928 4.2614 4.2614 5.2884 5.2884 5.4182 5.4182 7.8437 7.8437 8.1299 8.1299 8.3032 8.3032 8.5308 8.5308 10.6011 10.6011 k = 0.0750 0.1299 0.4824 ( 10564 PWs) bands (ev): -14.7751 -14.7751 -13.5951 -13.5951 -13.0049 -13.0049 -3.5728 -3.5728 -2.2471 -2.2471 -2.0752 -2.0752 -0.6119 -0.6119 -0.6029 -0.6029 -0.2408 -0.2408 1.2619 1.2619 1.2726 1.2726 1.3322 1.3322 2.4097 2.4097 2.6936 2.6936 2.7375 2.7375 2.9151 2.9151 3.3696 3.3696 3.3869 3.3869 3.5834 3.5834 3.6377 3.6377 3.7296 3.7296 3.8343 3.8343 3.8547 3.8547 4.1922 4.1922 4.2682 4.2682 5.3308 5.3308 5.4446 5.4446 7.7969 7.7969 8.1340 8.1340 8.2907 8.2907 8.4770 8.4770 10.5958 10.5958 k = 0.0667 0.1155 0.4824 ( 10580 PWs) bands (ev): -14.7758 -14.7758 -13.5997 -13.5997 -12.9995 -12.9995 -3.5712 -3.5712 -2.2454 -2.2454 -2.0724 -2.0724 -0.6151 -0.6151 -0.6065 -0.6065 -0.2461 -0.2461 1.2768 1.2768 1.2859 1.2859 1.3376 1.3376 2.4022 2.4022 2.6849 2.6849 2.7241 2.7241 2.9079 2.9079 3.3668 3.3668 3.3820 3.3820 3.5828 3.5828 3.6348 3.6348 3.7282 3.7282 3.8381 3.8381 3.8546 3.8546 4.1909 4.1909 4.2752 4.2752 5.3712 5.3712 5.4692 5.4692 7.7534 7.7534 8.1384 8.1384 8.2790 8.2790 8.4271 8.4271 10.5887 10.5887 k = 0.0583 0.1010 0.4824 ( 10590 PWs) bands (ev): -14.7765 -14.7765 -13.6037 -13.6037 -12.9947 -12.9947 -3.5698 -3.5698 -2.2439 -2.2439 -2.0699 -2.0699 -0.6178 -0.6178 -0.6094 -0.6094 -0.2508 -0.2508 1.2903 1.2903 1.2978 1.2978 1.3419 1.3419 2.3952 2.3952 2.6766 2.6766 2.7127 2.7127 2.9015 2.9015 3.3642 3.3642 3.3775 3.3775 3.5821 3.5821 3.6321 3.6321 3.7270 3.7270 3.8416 3.8416 3.8544 3.8544 4.1894 4.1894 4.2820 4.2820 5.4087 5.4087 5.4920 5.4920 7.7134 7.7134 8.1432 8.1432 8.2680 8.2680 8.3819 8.3819 10.5807 10.5807 k = 0.0500 0.0866 0.4824 ( 10592 PWs) bands (ev): -14.7770 -14.7770 -13.6072 -13.6072 -12.9905 -12.9905 -3.5685 -3.5685 -2.2427 -2.2427 -2.0679 -2.0679 -0.6201 -0.6201 -0.6114 -0.6114 -0.2548 -0.2548 1.3022 1.3022 1.3083 1.3083 1.3455 1.3455 2.3888 2.3888 2.6689 2.6689 2.7030 2.7030 2.8958 2.8958 3.3618 3.3618 3.3736 3.3736 3.5811 3.5811 3.6297 3.6297 3.7262 3.7262 3.8447 3.8447 3.8543 3.8543 4.1879 4.1879 4.2882 4.2882 5.4426 5.4426 5.5129 5.5129 7.6774 7.6774 8.1481 8.1481 8.2578 8.2578 8.3417 8.3417 10.5724 10.5724 k = 0.0417 0.0722 0.4824 ( 10586 PWs) bands (ev): -14.7775 -14.7775 -13.6102 -13.6102 -12.9869 -12.9869 -3.5675 -3.5675 -2.2417 -2.2417 -2.0661 -2.0661 -0.6220 -0.6220 -0.6128 -0.6128 -0.2581 -0.2581 1.3125 1.3125 1.3173 1.3173 1.3483 1.3483 2.3831 2.3831 2.6620 2.6620 2.6950 2.6950 2.8910 2.8910 3.3597 3.3597 3.3702 3.3702 3.5799 3.5799 3.6278 3.6278 3.7256 3.7256 3.8474 3.8474 3.8542 3.8542 4.1864 4.1864 4.2937 4.2937 5.4721 5.4721 5.5318 5.5318 7.6459 7.6459 8.1530 8.1530 8.2484 8.2484 8.3072 8.3072 10.5644 10.5644 k = 0.0333 0.0577 0.4824 ( 10594 PWs) bands (ev): -14.7779 -14.7779 -13.6127 -13.6127 -12.9839 -12.9839 -3.5666 -3.5666 -2.2409 -2.2409 -2.0648 -2.0648 -0.6236 -0.6236 -0.6137 -0.6137 -0.2608 -0.2608 1.3211 1.3211 1.3247 1.3247 1.3506 1.3506 2.3782 2.3782 2.6561 2.6561 2.6887 2.6887 2.8870 2.8870 3.3578 3.3578 3.3675 3.3675 3.5788 3.5788 3.6262 3.6262 3.7251 3.7251 3.8497 3.8497 3.8541 3.8541 4.1851 4.1851 4.2983 4.2983 5.4962 5.4962 5.5486 5.5486 7.6192 7.6192 8.1576 8.1576 8.2398 8.2398 8.2788 8.2788 10.5572 10.5572 k = 0.0250 0.0433 0.4824 ( 10592 PWs) bands (ev): -14.7782 -14.7782 -13.6146 -13.6146 -12.9816 -12.9816 -3.5660 -3.5660 -2.2403 -2.2403 -2.0637 -2.0637 -0.6249 -0.6249 -0.6142 -0.6142 -0.2629 -0.2629 1.3278 1.3278 1.3305 1.3305 1.3523 1.3523 2.3743 2.3743 2.6514 2.6514 2.6838 2.6838 2.8839 2.8839 3.3562 3.3562 3.3654 3.3654 3.5778 3.5778 3.6251 3.6251 3.7248 3.7248 3.8515 3.8515 3.8540 3.8540 4.1841 4.1841 4.3020 4.3020 5.5147 5.5147 5.5630 5.5630 7.5978 7.5978 8.1619 8.1619 8.2318 8.2318 8.2571 8.2571 10.5512 10.5512 k = 0.0167 0.0289 0.4824 ( 10582 PWs) bands (ev): -14.7784 -14.7784 -13.6160 -13.6160 -12.9799 -12.9799 -3.5655 -3.5655 -2.2398 -2.2398 -2.0630 -2.0630 -0.6258 -0.6258 -0.6145 -0.6145 -0.2644 -0.2644 1.3326 1.3326 1.3346 1.3346 1.3536 1.3536 2.3714 2.3714 2.6479 2.6479 2.6804 2.6804 2.8817 2.8817 3.3550 3.3550 3.3640 3.3640 3.5770 3.5770 3.6243 3.6243 3.7246 3.7246 3.8529 3.8529 3.8540 3.8540 4.1834 4.1834 4.3046 4.3046 5.5274 5.5274 5.5742 5.5742 7.5821 7.5821 8.1654 8.1654 8.2244 8.2244 8.2427 8.2427 10.5467 10.5467 k = 0.0083 0.0144 0.4824 ( 10578 PWs) bands (ev): -14.7786 -14.7786 -13.6168 -13.6168 -12.9789 -12.9789 -3.5652 -3.5652 -2.2396 -2.2396 -2.0625 -2.0625 -0.6264 -0.6264 -0.6146 -0.6146 -0.2653 -0.2653 1.3355 1.3355 1.3370 1.3370 1.3543 1.3543 2.3696 2.3696 2.6458 2.6458 2.6783 2.6783 2.8804 2.8804 3.3543 3.3543 3.3631 3.3631 3.5765 3.5765 3.6239 3.6239 3.7244 3.7244 3.8537 3.8537 3.8539 3.8539 4.1829 4.1829 4.3062 4.3062 5.5349 5.5349 5.5814 5.5814 7.5726 7.5726 8.1679 8.1679 8.2185 8.2185 8.2352 8.2352 10.5439 10.5439 k = 0.0000 0.0000 0.4824 ( 10590 PWs) bands (ev): -14.7786 -14.7786 -13.6171 -13.6171 -12.9786 -12.9786 -3.5651 -3.5651 -2.2395 -2.2395 -2.0624 -2.0624 -0.6266 -0.6266 -0.6146 -0.6146 -0.2656 -0.2656 1.3364 1.3364 1.3378 1.3378 1.3546 1.3546 2.3690 2.3690 2.6451 2.6451 2.6776 2.6776 2.8799 2.8799 3.3540 3.3540 3.3629 3.3629 3.5763 3.5763 3.6237 3.6237 3.7244 3.7244 3.8539 3.8539 3.8539 3.8539 4.1827 4.1827 4.3068 4.3068 5.5373 5.5373 5.5839 5.5839 7.5694 7.5694 8.1687 8.1687 8.2161 8.2161 8.2329 8.2329 10.5429 10.5429 k = 0.5000 0.2887 0.4824 ( 10592 PWs) bands (ev): -14.7559 -14.7559 -13.4115 -13.4115 -13.2119 -13.2119 -3.6260 -3.6260 -2.3389 -2.3389 -2.1608 -2.1608 -0.5073 -0.5073 -0.2391 -0.2391 0.0923 0.0923 0.5670 0.5670 0.9708 0.9708 1.0593 1.0593 2.5302 2.5302 3.1007 3.1007 3.2225 3.2225 3.3021 3.3021 3.3144 3.3144 3.4249 3.4249 3.5409 3.5409 3.5430 3.5430 3.6018 3.6018 3.6867 3.6867 3.8414 3.8414 4.0877 4.0877 4.1941 4.1941 4.6683 4.6683 5.0288 5.0288 8.2559 8.2559 8.3737 8.3737 9.1874 9.1874 9.4041 9.4041 9.7454 9.7454 k = 0.5000 0.2887 0.4657 ( 10602 PWs) bands (ev): -14.7560 -14.7560 -13.4115 -13.4115 -13.2118 -13.2118 -3.6259 -3.6259 -2.3386 -2.3386 -2.1609 -2.1609 -0.5068 -0.5068 -0.2388 -0.2388 0.0918 0.0918 0.5674 0.5674 0.9705 0.9705 1.0590 1.0590 2.5305 2.5305 3.1007 3.1007 3.2225 3.2225 3.3016 3.3016 3.3146 3.3146 3.4244 3.4244 3.5387 3.5387 3.5451 3.5451 3.6020 3.6020 3.6871 3.6871 3.8414 3.8414 4.0877 4.0877 4.1941 4.1941 4.6683 4.6683 5.0290 5.0290 8.2550 8.2550 8.3708 8.3708 9.1712 9.1712 9.4206 9.4206 9.7465 9.7465 k = 0.5000 0.2887 0.4491 ( 10602 PWs) bands (ev): -14.7560 -14.7560 -13.4116 -13.4116 -13.2118 -13.2118 -3.6256 -3.6256 -2.3377 -2.3377 -2.1613 -2.1613 -0.5055 -0.5055 -0.2380 -0.2380 0.0901 0.0901 0.5684 0.5684 0.9697 0.9697 1.0581 1.0581 2.5312 2.5312 3.1007 3.1007 3.2224 3.2224 3.3001 3.3001 3.3152 3.3152 3.4229 3.4229 3.5357 3.5357 3.5478 3.5478 3.6025 3.6025 3.6881 3.6881 3.8414 3.8414 4.0877 4.0877 4.1943 4.1943 4.6683 4.6683 5.0297 5.0297 8.2517 8.2517 8.3625 8.3625 9.1321 9.1321 9.4603 9.4603 9.7498 9.7498 k = 0.5000 0.2887 0.4325 ( 10622 PWs) bands (ev): -14.7561 -14.7561 -13.4117 -13.4117 -13.2117 -13.2117 -3.6251 -3.6251 -2.3363 -2.3363 -2.1619 -2.1619 -0.5033 -0.5033 -0.2367 -0.2367 0.0875 0.0875 0.5702 0.5702 0.9682 0.9682 1.0567 1.0567 2.5324 2.5324 3.1006 3.1006 3.2224 3.2224 3.2979 3.2979 3.3160 3.3160 3.4205 3.4205 3.5325 3.5325 3.5504 3.5504 3.6035 3.6035 3.6899 3.6899 3.8415 3.8415 4.0878 4.0878 4.1946 4.1946 4.6683 4.6683 5.0307 5.0307 8.2443 8.2443 8.3511 8.3511 9.0828 9.0828 9.5106 9.5106 9.7553 9.7553 k = 0.5000 0.2887 0.4158 ( 10604 PWs) bands (ev): -14.7562 -14.7562 -13.4119 -13.4119 -13.2115 -13.2115 -3.6243 -3.6243 -2.3342 -2.3342 -2.1628 -2.1628 -0.5003 -0.5003 -0.2349 -0.2349 0.0838 0.0838 0.5726 0.5726 0.9663 0.9663 1.0546 1.0546 2.5341 2.5341 3.1004 3.1004 3.2223 3.2223 3.2951 3.2951 3.3167 3.3167 3.4172 3.4172 3.5293 3.5293 3.5529 3.5529 3.6047 3.6047 3.6923 3.6923 3.8416 3.8416 4.0878 4.0878 4.1951 4.1951 4.6684 4.6684 5.0322 5.0322 8.2301 8.2301 8.3398 8.3398 9.0296 9.0296 9.5652 9.5652 9.7631 9.7631 k = 0.5000 0.2887 0.3992 ( 10600 PWs) bands (ev): -14.7563 -14.7563 -13.4121 -13.4121 -13.2113 -13.2113 -3.6234 -3.6234 -2.3316 -2.3316 -2.1639 -2.1639 -0.4964 -0.4964 -0.2326 -0.2326 0.0792 0.0792 0.5756 0.5756 0.9638 0.9638 1.0520 1.0520 2.5362 2.5362 3.1002 3.1002 3.2222 3.2222 3.2918 3.2918 3.3173 3.3173 3.4132 3.4132 3.5261 3.5261 3.5554 3.5554 3.6062 3.6062 3.6955 3.6955 3.8418 3.8418 4.0880 4.0880 4.1957 4.1957 4.6684 4.6684 5.0341 5.0341 8.2064 8.2064 8.3320 8.3320 8.9751 8.9751 9.6214 9.6214 9.7731 9.7731 k = 0.5000 0.2887 0.3826 ( 10604 PWs) bands (ev): -14.7564 -14.7564 -13.4124 -13.4124 -13.2111 -13.2111 -3.6223 -3.6223 -2.3285 -2.3285 -2.1653 -2.1653 -0.4918 -0.4918 -0.2298 -0.2298 0.0737 0.0737 0.5792 0.5792 0.9608 0.9608 1.0489 1.0489 2.5386 2.5386 3.1000 3.1000 3.2219 3.2219 3.2882 3.2882 3.3177 3.3177 3.4086 3.4086 3.5230 3.5230 3.5577 3.5577 3.6078 3.6078 3.6993 3.6993 3.8419 3.8419 4.0881 4.0881 4.1963 4.1963 4.6685 4.6685 5.0364 5.0364 8.1730 8.1730 8.3289 8.3289 8.9204 8.9204 9.6778 9.6778 9.7855 9.7855 k = 0.5000 0.2887 0.3659 ( 10606 PWs) bands (ev): -14.7566 -14.7566 -13.4127 -13.4127 -13.2109 -13.2109 -3.6210 -3.6210 -2.3248 -2.3248 -2.1668 -2.1668 -0.4864 -0.4864 -0.2266 -0.2266 0.0675 0.0675 0.5832 0.5832 0.9573 0.9573 1.0453 1.0453 2.5415 2.5415 3.0997 3.0997 3.2215 3.2215 3.2841 3.2841 3.3178 3.3178 3.4035 3.4035 3.5199 3.5199 3.5599 3.5599 3.6096 3.6096 3.7037 3.7037 3.8422 3.8422 4.0883 4.0883 4.1971 4.1971 4.6685 4.6685 5.0390 5.0390 8.1316 8.1316 8.3297 8.3297 8.8664 8.8664 9.7334 9.7334 9.8002 9.8002 k = 0.5000 0.2887 0.3493 ( 10612 PWs) bands (ev): -14.7568 -14.7568 -13.4130 -13.4130 -13.2106 -13.2106 -3.6196 -3.6196 -2.3207 -2.3207 -2.1684 -2.1684 -0.4804 -0.4804 -0.2229 -0.2229 0.0605 0.0605 0.5876 0.5876 0.9533 0.9533 1.0412 1.0412 2.5447 2.5447 3.0994 3.0994 3.2209 3.2209 3.2797 3.2797 3.3175 3.3175 3.3982 3.3982 3.5169 3.5169 3.5621 3.5621 3.6115 3.6115 3.7087 3.7087 3.8424 3.8424 4.0884 4.0884 4.1980 4.1980 4.6686 4.6686 5.0419 5.0419 8.0843 8.0843 8.3331 8.3331 8.8134 8.8134 9.7874 9.7874 9.8174 9.8174 k = 0.5000 0.2887 0.3327 ( 10608 PWs) bands (ev): -14.7570 -14.7570 -13.4134 -13.4134 -13.2103 -13.2103 -3.6181 -3.6181 -2.3162 -2.3162 -2.1702 -2.1702 -0.4738 -0.4738 -0.2189 -0.2189 0.0529 0.0529 0.5924 0.5924 0.9489 0.9489 1.0366 1.0366 2.5482 2.5482 3.0990 3.0990 3.2199 3.2199 3.2751 3.2751 3.3169 3.3169 3.3929 3.3929 3.5140 3.5140 3.5642 3.5642 3.6134 3.6134 3.7142 3.7142 3.8427 3.8427 4.0887 4.0887 4.1990 4.1990 4.6687 4.6687 5.0451 5.0451 8.0326 8.0326 8.3383 8.3383 8.7619 8.7619 9.8344 9.8344 9.8420 9.8420 k = 0.5000 0.2887 0.3160 ( 10602 PWs) bands (ev): -14.7572 -14.7572 -13.4138 -13.4138 -13.2099 -13.2099 -3.6164 -3.6164 -2.3113 -2.3113 -2.1721 -2.1721 -0.4666 -0.4666 -0.2144 -0.2144 0.0449 0.0449 0.5974 0.5974 0.9442 0.9442 1.0317 1.0317 2.5519 2.5519 3.0986 3.0986 3.2183 3.2183 3.2703 3.2703 3.3159 3.3159 3.3878 3.3878 3.5113 3.5113 3.5662 3.5662 3.6153 3.6153 3.7202 3.7202 3.8431 3.8431 4.0889 4.0889 4.2001 4.2001 4.6688 4.6688 5.0486 5.0486 7.9781 7.9781 8.3447 8.3447 8.7121 8.7121 9.8579 9.8579 9.8897 9.8897 k = 0.5000 0.2887 0.2994 ( 10614 PWs) bands (ev): -14.7574 -14.7574 -13.4142 -13.4142 -13.2096 -13.2096 -3.6147 -3.6147 -2.3061 -2.3061 -2.1740 -2.1740 -0.4590 -0.4590 -0.2097 -0.2097 0.0364 0.0364 0.6025 0.6025 0.9392 0.9392 1.0264 1.0264 2.5558 2.5558 3.0982 3.0982 3.2160 3.2160 3.2657 3.2657 3.3144 3.3144 3.3830 3.3830 3.5087 3.5087 3.5681 3.5681 3.6172 3.6172 3.7267 3.7267 3.8435 3.8435 4.0892 4.0892 4.2013 4.2013 4.6690 4.6690 5.0523 5.0523 7.9218 7.9218 8.3520 8.3520 8.6641 8.6641 9.8824 9.8824 9.9356 9.9356 k = 0.5000 0.2887 0.2828 ( 10598 PWs) bands (ev): -14.7577 -14.7577 -13.4146 -13.4146 -13.2092 -13.2092 -3.6129 -3.6129 -2.3007 -2.3007 -2.1760 -2.1760 -0.4511 -0.4511 -0.2046 -0.2046 0.0277 0.0277 0.6078 0.6078 0.9338 0.9338 1.0208 1.0208 2.5599 2.5599 3.0976 3.0976 3.2127 3.2127 3.2615 3.2615 3.3126 3.3126 3.3788 3.3788 3.5062 3.5062 3.5700 3.5700 3.6190 3.6190 3.7335 3.7335 3.8439 3.8439 4.0894 4.0894 4.2025 4.2025 4.6691 4.6691 5.0561 5.0561 7.8647 7.8647 8.3599 8.3599 8.6184 8.6184 9.9093 9.9093 9.9776 9.9776 k = 0.5000 0.2887 0.2661 ( 10588 PWs) bands (ev): -14.7579 -14.7579 -13.4150 -13.4150 -13.2088 -13.2088 -3.6111 -3.6111 -2.2951 -2.2951 -2.1779 -2.1779 -0.4428 -0.4428 -0.1993 -0.1993 0.0187 0.0187 0.6131 0.6131 0.9283 0.9283 1.0150 1.0150 2.5640 2.5640 3.0971 3.0971 3.2081 3.2081 3.2579 3.2579 3.3103 3.3103 3.3752 3.3752 3.5039 3.5039 3.5718 3.5718 3.6207 3.6207 3.7405 3.7405 3.8445 3.8445 4.0897 4.0897 4.2037 4.2037 4.6693 4.6693 5.0601 5.0601 7.8074 7.8074 8.3680 8.3680 8.5750 8.5750 9.9388 9.9388 10.0152 10.0152 k = 0.5000 0.2887 0.2495 ( 10588 PWs) bands (ev): -14.7582 -14.7582 -13.4155 -13.4155 -13.2085 -13.2085 -3.6092 -3.6092 -2.2893 -2.2893 -2.1798 -2.1798 -0.4344 -0.4344 -0.1937 -0.1937 0.0096 0.0096 0.6184 0.6184 0.9225 0.9225 1.0090 1.0090 2.5682 2.5682 3.0964 3.0964 3.2023 3.2023 3.2551 3.2551 3.3077 3.3077 3.3722 3.3722 3.5017 3.5017 3.5735 3.5735 3.6224 3.6224 3.7478 3.7478 3.8452 3.8452 4.0901 4.0901 4.2050 4.2050 4.6695 4.6695 5.0641 5.0641 7.7508 7.7508 8.3759 8.3759 8.5344 8.5344 9.9708 9.9708 10.0479 10.0479 k = 0.5000 0.2887 0.2329 ( 10576 PWs) bands (ev): -14.7584 -14.7584 -13.4159 -13.4159 -13.2081 -13.2081 -3.6074 -3.6074 -2.2836 -2.2836 -2.1816 -2.1816 -0.4259 -0.4259 -0.1880 -0.1880 0.0004 0.0004 0.6237 0.6237 0.9167 0.9167 1.0028 1.0028 2.5724 2.5724 3.0957 3.0957 3.1952 3.1952 3.2532 3.2532 3.3048 3.3048 3.3699 3.3699 3.4997 3.4997 3.5751 3.5751 3.6240 3.6240 3.7551 3.7551 3.8459 3.8459 4.0904 4.0904 4.2064 4.2064 4.6698 4.6698 5.0682 5.0682 7.6954 7.6954 8.3829 8.3829 8.4972 8.4972 10.0056 10.0056 10.0756 10.0756 k = 0.5000 0.2887 0.2162 ( 10584 PWs) bands (ev): -14.7587 -14.7587 -13.4164 -13.4164 -13.2077 -13.2077 -3.6056 -3.6056 -2.2779 -2.2779 -2.1832 -2.1832 -0.4174 -0.4174 -0.1822 -0.1822 -0.0087 -0.0087 0.6288 0.6288 0.9109 0.9109 0.9966 0.9966 2.5765 2.5765 3.0950 3.0950 3.1872 3.1872 3.2520 3.2520 3.3019 3.3019 3.3680 3.3680 3.4977 3.4977 3.5767 3.5767 3.6255 3.6255 3.7623 3.7623 3.8468 3.8468 4.0907 4.0907 4.2077 4.2077 4.6701 4.6701 5.0722 5.0722 7.6417 7.6417 8.3871 8.3871 8.4652 8.4652 10.0429 10.0429 10.0982 10.0982 k = 0.5000 0.2887 0.1996 ( 10602 PWs) bands (ev): -14.7589 -14.7589 -13.4168 -13.4168 -13.2073 -13.2073 -3.6038 -3.6038 -2.2724 -2.2724 -2.1847 -2.1847 -0.4090 -0.4090 -0.1762 -0.1762 -0.0178 -0.0178 0.6337 0.6337 0.9050 0.9050 0.9905 0.9905 2.5806 2.5806 3.0942 3.0942 3.1785 3.1785 3.2514 3.2514 3.2988 3.2988 3.3666 3.3666 3.4960 3.4960 3.5781 3.5781 3.6269 3.6269 3.7694 3.7694 3.8479 3.8479 4.0911 4.0911 4.2090 4.2090 4.6704 4.6704 5.0762 5.0762 7.5903 7.5903 8.3836 8.3836 8.4433 8.4433 10.0830 10.0830 10.1160 10.1160 k = 0.5000 0.2887 0.1830 ( 10594 PWs) bands (ev): -14.7592 -14.7592 -13.4172 -13.4172 -13.2070 -13.2070 -3.6021 -3.6021 -2.2671 -2.2671 -2.1859 -2.1859 -0.4008 -0.4008 -0.1703 -0.1703 -0.0267 -0.0267 0.6384 0.6384 0.8993 0.8993 0.9844 0.9844 2.5844 2.5844 3.0932 3.0932 3.1696 3.1696 3.2512 3.2512 3.2957 3.2957 3.3656 3.3656 3.4943 3.4943 3.5795 3.5795 3.6282 3.6282 3.7762 3.7762 3.8491 3.8491 4.0914 4.0914 4.2103 4.2103 4.6707 4.6707 5.0801 5.0801 7.5415 7.5415 8.3675 8.3675 8.4364 8.4364 10.1243 10.1243 10.1306 10.1306 k = 0.5000 0.2887 0.1663 ( 10596 PWs) bands (ev): -14.7594 -14.7594 -13.4176 -13.4176 -13.2066 -13.2066 -3.6005 -3.6005 -2.2622 -2.2622 -2.1869 -2.1869 -0.3930 -0.3930 -0.1644 -0.1644 -0.0353 -0.0353 0.6428 0.6428 0.8937 0.8937 0.9785 0.9785 2.5881 2.5881 3.0922 3.0922 3.1607 3.1607 3.2514 3.2514 3.2927 3.2927 3.3648 3.3648 3.4928 3.4928 3.5807 3.5807 3.6294 3.6294 3.7826 3.7826 3.8505 3.8505 4.0917 4.0917 4.2115 4.2115 4.6710 4.6710 5.0838 5.0838 7.4957 7.4957 8.3443 8.3443 8.4388 8.4388 10.1377 10.1377 10.1720 10.1720 k = 0.5000 0.2887 0.1497 ( 10576 PWs) bands (ev): -14.7596 -14.7596 -13.4180 -13.4180 -13.2063 -13.2063 -3.5990 -3.5990 -2.2577 -2.2577 -2.1876 -2.1876 -0.3855 -0.3855 -0.1585 -0.1585 -0.0437 -0.0437 0.6470 0.6470 0.8884 0.8884 0.9729 0.9729 2.5916 2.5916 3.0911 3.0911 3.1521 3.1521 3.2519 3.2519 3.2897 3.2897 3.3643 3.3643 3.4915 3.4915 3.5818 3.5818 3.6305 3.6305 3.7884 3.7884 3.8521 3.8521 4.0920 4.0920 4.2127 4.2127 4.6714 4.6714 5.0873 5.0873 7.4534 7.4534 8.3203 8.3203 8.4444 8.4444 10.1435 10.1435 10.2202 10.2202 k = 0.5000 0.2887 0.1331 ( 10572 PWs) bands (ev): -14.7598 -14.7598 -13.4183 -13.4183 -13.2060 -13.2060 -3.5976 -3.5976 -2.2537 -2.2537 -2.1880 -2.1880 -0.3785 -0.3785 -0.1526 -0.1526 -0.0517 -0.0517 0.6508 0.6508 0.8835 0.8835 0.9676 0.9676 2.5948 2.5948 3.0898 3.0898 3.1441 3.1441 3.2526 3.2526 3.2869 3.2869 3.3639 3.3639 3.4902 3.4902 3.5828 3.5828 3.6315 3.6315 3.7937 3.7937 3.8539 3.8539 4.0923 4.0923 4.2138 4.2138 4.6718 4.6718 5.0906 5.0906 7.4146 7.4146 8.2976 8.2976 8.4507 8.4507 10.1466 10.1466 10.2712 10.2712 k = 0.5000 0.2887 0.1164 ( 10576 PWs) bands (ev): -14.7600 -14.7600 -13.4186 -13.4186 -13.2058 -13.2058 -3.5963 -3.5963 -2.2503 -2.2503 -2.1881 -2.1881 -0.3721 -0.3721 -0.1469 -0.1469 -0.0594 -0.0594 0.6542 0.6542 0.8789 0.8789 0.9627 0.9627 2.5977 2.5977 3.0884 3.0884 3.1368 3.1368 3.2534 3.2534 3.2842 3.2842 3.3637 3.3637 3.4892 3.4892 3.5837 3.5837 3.6324 3.6324 3.7982 3.7982 3.8559 3.8559 4.0926 4.0926 4.2148 4.2148 4.6721 4.6721 5.0936 5.0936 7.3798 7.3798 8.2770 8.2770 8.4569 8.4569 10.1476 10.1476 10.3248 10.3248 k = 0.5000 0.2887 0.0998 ( 10588 PWs) bands (ev): -14.7602 -14.7602 -13.4189 -13.4189 -13.2055 -13.2055 -3.5952 -3.5952 -2.2474 -2.2474 -2.1879 -2.1879 -0.3663 -0.3663 -0.1414 -0.1414 -0.0667 -0.0667 0.6573 0.6573 0.8747 0.8747 0.9582 0.9582 2.6003 2.6003 3.0869 3.0869 3.1305 3.1305 3.2544 3.2544 3.2817 3.2817 3.3635 3.3635 3.4882 3.4882 3.5845 3.5845 3.6331 3.6331 3.8021 3.8021 3.8579 3.8579 4.0928 4.0928 4.2157 4.2157 4.6724 4.6724 5.0963 5.0963 7.3492 7.3492 8.2589 8.2589 8.4628 8.4628 10.1472 10.1472 10.3811 10.3811 k = 0.5000 0.2887 0.0832 ( 10584 PWs) bands (ev): -14.7603 -14.7603 -13.4192 -13.4192 -13.2053 -13.2053 -3.5942 -3.5942 -2.2451 -2.2451 -2.1876 -2.1876 -0.3613 -0.3613 -0.1360 -0.1360 -0.0735 -0.0735 0.6599 0.6599 0.8711 0.8711 0.9544 0.9544 2.6025 2.6025 3.0852 3.0852 3.1253 3.1253 3.2554 3.2554 3.2794 3.2794 3.3634 3.3634 3.4874 3.4874 3.5852 3.5852 3.6338 3.6338 3.8052 3.8052 3.8599 3.8599 4.0931 4.0931 4.2165 4.2165 4.6727 4.6727 5.0986 5.0986 7.3230 7.3230 8.2435 8.2435 8.4680 8.4680 10.1460 10.1460 10.4398 10.4398 k = 0.5000 0.2887 0.0665 ( 10578 PWs) bands (ev): -14.7604 -14.7604 -13.4194 -13.4194 -13.2051 -13.2051 -3.5934 -3.5934 -2.2433 -2.2433 -2.1871 -2.1871 -0.3571 -0.3571 -0.1308 -0.1308 -0.0799 -0.0799 0.6621 0.6621 0.8680 0.8680 0.9511 0.9511 2.6044 2.6044 3.0835 3.0835 3.1212 3.1212 3.2564 3.2564 3.2773 3.2773 3.3634 3.3634 3.4868 3.4868 3.5857 3.5857 3.6343 3.6343 3.8076 3.8076 3.8617 3.8617 4.0932 4.0932 4.2171 4.2171 4.6730 4.6730 5.1005 5.1005 7.3012 7.3012 8.2307 8.2307 8.4724 8.4724 10.1443 10.1443 10.5007 10.5007 k = 0.5000 0.2887 0.0499 ( 10582 PWs) bands (ev): -14.7605 -14.7605 -13.4195 -13.4195 -13.2050 -13.2050 -3.5928 -3.5928 -2.2420 -2.2420 -2.1866 -2.1866 -0.3538 -0.3538 -0.1259 -0.1259 -0.0857 -0.0857 0.6639 0.6639 0.8656 0.8656 0.9485 0.9485 2.6058 2.6058 3.0819 3.0819 3.1181 3.1181 3.2574 3.2574 3.2754 3.2754 3.3634 3.3634 3.4863 3.4863 3.5862 3.5862 3.6348 3.6348 3.8095 3.8095 3.8633 3.8633 4.0934 4.0934 4.2177 4.2177 4.6732 4.6732 5.1020 5.1020 7.2842 7.2842 8.2208 8.2208 8.4759 8.4759 10.1426 10.1426 10.5632 10.5632 k = 0.5000 0.2887 0.0333 ( 10578 PWs) bands (ev): -14.7606 -14.7606 -13.4196 -13.4196 -13.2049 -13.2049 -3.5924 -3.5924 -2.2412 -2.2412 -2.1862 -2.1862 -0.3514 -0.3514 -0.1215 -0.1215 -0.0907 -0.0907 0.6651 0.6651 0.8638 0.8638 0.9467 0.9467 2.6069 2.6069 3.0807 3.0807 3.1160 3.1160 3.2583 3.2583 3.2740 3.2740 3.3634 3.3634 3.4859 3.4859 3.5865 3.5865 3.6351 3.6351 3.8107 3.8107 3.8646 3.8646 4.0935 4.0935 4.2180 4.2180 4.6734 4.6734 5.1031 5.1031 7.2719 7.2719 8.2136 8.2136 8.4785 8.4785 10.1412 10.1412 10.6262 10.6262 k = 0.5000 0.2887 0.0166 ( 10588 PWs) bands (ev): -14.7606 -14.7606 -13.4197 -13.4197 -13.2049 -13.2049 -3.5921 -3.5921 -2.2406 -2.2406 -2.1859 -2.1859 -0.3500 -0.3500 -0.1181 -0.1181 -0.0946 -0.0946 0.6659 0.6659 0.8628 0.8628 0.9455 0.9455 2.6075 2.6075 3.0798 3.0798 3.1148 3.1148 3.2589 3.2589 3.2730 3.2730 3.3633 3.3633 3.4857 3.4857 3.5867 3.5867 3.6352 3.6352 3.8115 3.8115 3.8654 3.8654 4.0935 4.0935 4.2183 4.2183 4.6735 4.6735 5.1038 5.1038 7.2645 7.2645 8.2094 8.2094 8.4800 8.4800 10.1403 10.1403 10.6850 10.6850 k = 0.5000 0.2887-0.0000 ( 10578 PWs) bands (ev): -14.7606 -14.7606 -13.4197 -13.4197 -13.2048 -13.2048 -3.5920 -3.5920 -2.2405 -2.2405 -2.1858 -2.1858 -0.3495 -0.3495 -0.1167 -0.1167 -0.0961 -0.0961 0.6661 0.6661 0.8624 0.8624 0.9451 0.9451 2.6077 2.6077 3.0795 3.0795 3.1144 3.1144 3.2592 3.2592 3.2727 3.2727 3.3633 3.3633 3.4856 3.4856 3.5867 3.5867 3.6353 3.6353 3.8117 3.8117 3.8656 3.8656 4.0936 4.0936 4.2183 4.2183 4.6735 4.6735 5.1040 5.1040 7.2621 7.2621 8.2079 8.2079 8.4805 8.4805 10.1399 10.1399 10.7168 10.7168 k = 0.3333 0.5774-0.0000 ( 10602 PWs) bands (ev): -14.7568 -14.7568 -13.3149 -13.3149 -13.3148 -13.3148 -3.5939 -3.5939 -2.2185 -2.2185 -2.1956 -2.1956 -0.4412 -0.4412 -0.1171 -0.1171 -0.0930 -0.0930 0.7475 0.7475 0.8504 0.8504 0.8732 0.8732 2.8835 2.8835 2.9187 2.9187 3.1240 3.1240 3.2428 3.2428 3.3192 3.3192 3.4178 3.4178 3.5264 3.5264 3.5961 3.5961 3.6358 3.6358 3.8382 3.8382 4.0213 4.0213 4.1134 4.1134 4.1808 4.1808 4.5672 4.5672 4.6218 4.6218 7.8058 7.8058 8.3734 8.3734 8.4083 8.4083 9.5850 9.5850 9.6034 9.6034 k = 0.3333 0.5774 0.0166 ( 10611 PWs) bands (ev): -14.7568 -14.7568 -13.3149 -13.3149 -13.3148 -13.3148 -3.5940 -3.5940 -2.2185 -2.2185 -2.1961 -2.1961 -0.4406 -0.4406 -0.1169 -0.1169 -0.0927 -0.0927 0.7471 0.7471 0.8502 0.8502 0.8730 0.8730 2.8832 2.8832 2.9185 2.9185 3.1236 3.1236 3.2429 3.2429 3.3192 3.3192 3.4185 3.4185 3.5266 3.5266 3.5961 3.5961 3.6359 3.6359 3.8379 3.8379 4.0210 4.0210 4.1137 4.1137 4.1808 4.1808 4.5673 4.5673 4.6219 4.6219 7.8077 7.8077 8.3746 8.3746 8.4095 8.4095 9.5846 9.5846 9.6030 9.6030 k = 0.3333 0.5774 0.0333 ( 10611 PWs) bands (ev): -14.7568 -14.7568 -13.3148 -13.3148 -13.3148 -13.3148 -3.5944 -3.5944 -2.2186 -2.2186 -2.1976 -2.1976 -0.4387 -0.4387 -0.1164 -0.1164 -0.0918 -0.0918 0.7462 0.7462 0.8495 0.8495 0.8721 0.8721 2.8825 2.8825 2.9180 2.9180 3.1225 3.1225 3.2431 3.2431 3.3193 3.3193 3.4207 3.4207 3.5270 3.5270 3.5962 3.5962 3.6362 3.6362 3.8370 3.8370 4.0200 4.0200 4.1147 4.1147 4.1807 4.1807 4.5673 4.5673 4.6219 4.6219 7.8134 7.8134 8.3782 8.3782 8.4130 8.4130 9.5833 9.5833 9.6020 9.6020 k = 0.3333 0.5774 0.0499 ( 10629 PWs) bands (ev): -14.7567 -14.7567 -13.3148 -13.3148 -13.3148 -13.3148 -3.5950 -3.5950 -2.2188 -2.2188 -2.2001 -2.2001 -0.4357 -0.4357 -0.1155 -0.1155 -0.0904 -0.0904 0.7446 0.7446 0.8483 0.8483 0.8707 0.8707 2.8814 2.8814 2.9170 2.9170 3.1206 3.1206 3.2434 3.2434 3.3195 3.3195 3.4242 3.4242 3.5278 3.5278 3.5963 3.5963 3.6367 3.6367 3.8355 3.8355 4.0183 4.0183 4.1163 4.1163 4.1806 4.1806 4.5674 4.5674 4.6220 4.6220 7.8227 7.8227 8.3842 8.3842 8.4188 8.4188 9.5813 9.5813 9.6004 9.6004 k = 0.3333 0.5774 0.0665 ( 10611 PWs) bands (ev): -14.7566 -14.7566 -13.3148 -13.3148 -13.3148 -13.3148 -3.5959 -3.5959 -2.2191 -2.2191 -2.2036 -2.2036 -0.4315 -0.4315 -0.1143 -0.1143 -0.0884 -0.0884 0.7424 0.7424 0.8467 0.8467 0.8687 0.8687 2.8798 2.8798 2.9157 2.9157 3.1181 3.1181 3.2438 3.2438 3.3197 3.3197 3.4289 3.4289 3.5289 3.5289 3.5965 3.5965 3.6375 3.6375 3.8334 3.8334 4.0159 4.0159 4.1186 4.1186 4.1804 4.1804 4.5675 4.5675 4.6221 4.6221 7.8358 7.8358 8.3924 8.3924 8.4267 8.4267 9.5788 9.5788 9.5983 9.5983 k = 0.3333 0.5774 0.0832 ( 10617 PWs) bands (ev): -14.7565 -14.7565 -13.3148 -13.3148 -13.3147 -13.3147 -3.5970 -3.5970 -2.2195 -2.2195 -2.2079 -2.2079 -0.4262 -0.4262 -0.1128 -0.1128 -0.0858 -0.0858 0.7396 0.7396 0.8447 0.8447 0.8661 0.8661 2.8777 2.8777 2.9141 2.9141 3.1152 3.1152 3.2444 3.2444 3.3200 3.3200 3.4346 3.4346 3.5304 3.5304 3.5968 3.5968 3.6384 3.6384 3.8308 3.8308 4.0130 4.0130 4.1214 4.1214 4.1803 4.1803 4.5677 4.5677 4.6223 4.6223 7.8526 7.8526 8.4028 8.4028 8.4367 8.4367 9.5758 9.5758 9.5960 9.5960 k = 0.3333 0.5774 0.0998 ( 10632 PWs) bands (ev): -14.7564 -14.7564 -13.3147 -13.3147 -13.3147 -13.3147 -3.5983 -3.5983 -2.2199 -2.2199 -2.2130 -2.2130 -0.4198 -0.4198 -0.1109 -0.1109 -0.0827 -0.0827 0.7362 0.7362 0.8423 0.8423 0.8631 0.8631 2.8753 2.8753 2.9121 2.9121 3.1118 3.1118 3.2451 3.2451 3.3203 3.3203 3.4410 3.4410 3.5323 3.5323 3.5971 3.5971 3.6396 3.6396 3.8276 3.8276 4.0095 4.0095 4.1248 4.1248 4.1802 4.1802 4.5678 4.5678 4.6225 4.6225 7.8731 7.8731 8.4151 8.4151 8.4486 8.4486 9.5727 9.5727 9.5937 9.5937 k = 0.3333 0.5774 0.1164 ( 10626 PWs) bands (ev): -14.7563 -14.7563 -13.3147 -13.3147 -13.3146 -13.3146 -3.5998 -3.5998 -2.2204 -2.2204 -2.2189 -2.2189 -0.4126 -0.4126 -0.1088 -0.1088 -0.0791 -0.0791 0.7322 0.7322 0.8395 0.8395 0.8596 0.8596 2.8725 2.8725 2.9099 2.9099 3.1081 3.1081 3.2458 3.2458 3.3207 3.3207 3.4479 3.4479 3.5345 3.5345 3.5974 3.5974 3.6410 3.6410 3.8240 3.8240 4.0055 4.0055 4.1287 4.1287 4.1804 4.1804 4.5680 4.5680 4.6227 4.6227 7.8971 7.8971 8.4293 8.4293 8.4622 8.4622 9.5697 9.5697 9.5917 9.5917 k = 0.3333 0.5774 0.1331 ( 10620 PWs) bands (ev): -14.7561 -14.7561 -13.3146 -13.3146 -13.3146 -13.3146 -3.6015 -3.6015 -2.2254 -2.2254 -2.2210 -2.2210 -0.4045 -0.4045 -0.1063 -0.1063 -0.0750 -0.0750 0.7278 0.7278 0.8363 0.8363 0.8555 0.8555 2.8693 2.8693 2.9073 2.9073 3.1042 3.1042 3.2467 3.2467 3.3211 3.3211 3.4550 3.4550 3.5372 3.5372 3.5977 3.5977 3.6427 3.6427 3.8200 3.8200 4.0010 4.0010 4.1328 4.1328 4.1808 4.1808 4.5682 4.5682 4.6229 4.6229 7.9247 7.9247 8.4450 8.4450 8.4772 8.4772 9.5670 9.5670 9.5903 9.5903 k = 0.3333 0.5774 0.1497 ( 10626 PWs) bands (ev): -14.7559 -14.7559 -13.3145 -13.3145 -13.3145 -13.3145 -3.6033 -3.6033 -2.2325 -2.2325 -2.2216 -2.2216 -0.3956 -0.3956 -0.1035 -0.1035 -0.0705 -0.0705 0.7228 0.7228 0.8329 0.8329 0.8511 0.8511 2.8659 2.8659 2.9045 2.9045 3.1002 3.1002 3.2477 3.2477 3.3216 3.3216 3.4621 3.4621 3.5404 3.5404 3.5981 3.5981 3.6446 3.6446 3.8156 3.8156 3.9962 3.9962 4.1370 4.1370 4.1816 4.1816 4.5683 4.5683 4.6231 4.6231 7.9558 7.9558 8.4621 8.4621 8.4935 8.4935 9.5651 9.5651 9.5899 9.5899 k = 0.3333 0.5774 0.1663 ( 10614 PWs) bands (ev): -14.7557 -14.7557 -13.3145 -13.3145 -13.3145 -13.3145 -3.6054 -3.6054 -2.2400 -2.2400 -2.2223 -2.2223 -0.3862 -0.3862 -0.1005 -0.1005 -0.0656 -0.0656 0.7175 0.7175 0.8291 0.8291 0.8462 0.8462 2.8622 2.8622 2.9015 2.9015 3.0961 3.0961 3.2487 3.2487 3.3222 3.3222 3.4690 3.4690 3.5439 3.5439 3.5985 3.5985 3.6468 3.6468 3.8108 3.8108 3.9911 3.9911 4.1411 4.1411 4.1832 4.1832 4.5685 4.5685 4.6234 4.6234 7.9902 7.9902 8.4802 8.4802 8.5106 8.5106 9.5642 9.5642 9.5906 9.5906 k = 0.3333 0.5774 0.1830 ( 10632 PWs) bands (ev): -14.7555 -14.7555 -13.3144 -13.3144 -13.3144 -13.3144 -3.6075 -3.6075 -2.2478 -2.2478 -2.2230 -2.2230 -0.3763 -0.3763 -0.0972 -0.0972 -0.0604 -0.0604 0.7118 0.7118 0.8252 0.8252 0.8410 0.8410 2.8583 2.8583 2.8984 2.8984 3.0921 3.0921 3.2498 3.2498 3.3228 3.3228 3.4754 3.4754 3.5479 3.5479 3.5989 3.5989 3.6492 3.6492 3.8058 3.8058 3.9857 3.9857 4.1447 4.1447 4.1858 4.1858 4.5686 4.5686 4.6236 4.6236 8.0277 8.0277 8.4991 8.4991 8.5284 8.5284 9.5646 9.5646 9.5929 9.5929 k = 0.3333 0.5774 0.1996 ( 10632 PWs) bands (ev): -14.7553 -14.7553 -13.3143 -13.3143 -13.3143 -13.3143 -3.6098 -3.6098 -2.2559 -2.2559 -2.2238 -2.2238 -0.3660 -0.3660 -0.0938 -0.0938 -0.0548 -0.0548 0.7057 0.7057 0.8210 0.8210 0.8355 0.8355 2.8542 2.8542 2.8950 2.8950 3.0882 3.0882 3.2510 3.2510 3.3234 3.3234 3.4814 3.4814 3.5522 3.5522 3.5993 3.5993 3.6519 3.6519 3.8006 3.8006 3.9802 3.9802 4.1475 4.1475 4.1896 4.1896 4.5687 4.5687 4.6238 4.6238 8.0684 8.0684 8.5185 8.5185 8.5465 8.5465 9.5665 9.5665 9.5970 9.5970 k = 0.3333 0.5774 0.2162 ( 10626 PWs) bands (ev): -14.7551 -14.7551 -13.3143 -13.3143 -13.3142 -13.3142 -3.6121 -3.6121 -2.2641 -2.2641 -2.2245 -2.2245 -0.3555 -0.3555 -0.0901 -0.0901 -0.0490 -0.0490 0.6994 0.6994 0.8167 0.8167 0.8298 0.8298 2.8499 2.8499 2.8916 2.8916 3.0844 3.0844 3.2522 3.2522 3.3241 3.3241 3.4868 3.4868 3.5568 3.5568 3.5997 3.5997 3.6548 3.6548 3.7952 3.7952 3.9746 3.9746 4.1495 4.1495 4.1947 4.1947 4.5688 4.5688 4.6240 4.6240 8.1118 8.1118 8.5379 8.5379 8.5645 8.5645 9.5703 9.5703 9.6031 9.6031 k = 0.3333 0.5774 0.2329 ( 10617 PWs) bands (ev): -14.7549 -14.7549 -13.3142 -13.3142 -13.3142 -13.3142 -3.6145 -3.6145 -2.2724 -2.2724 -2.2253 -2.2253 -0.3448 -0.3448 -0.0862 -0.0862 -0.0429 -0.0429 0.6929 0.6929 0.8124 0.8124 0.8238 0.8238 2.8456 2.8456 2.8881 2.8881 3.0808 3.0808 3.2534 3.2534 3.3248 3.3248 3.4916 3.4916 3.5614 3.5614 3.6001 3.6001 3.6579 3.6579 3.7898 3.7898 3.9690 3.9690 4.1506 4.1506 4.2010 4.2010 4.5688 4.5688 4.6242 4.6242 8.1578 8.1578 8.5572 8.5572 8.5822 8.5822 9.5761 9.5761 9.6115 9.6115 k = 0.3333 0.5774 0.2495 ( 10611 PWs) bands (ev): -14.7547 -14.7547 -13.3141 -13.3141 -13.3141 -13.3141 -3.6169 -3.6169 -2.2806 -2.2806 -2.2261 -2.2261 -0.3342 -0.3342 -0.0822 -0.0822 -0.0368 -0.0368 0.6862 0.6862 0.8079 0.8079 0.8177 0.8177 2.8413 2.8413 2.8846 2.8846 3.0774 3.0774 3.2547 3.2547 3.3255 3.3255 3.4959 3.4959 3.5661 3.5661 3.6004 3.6004 3.6612 3.6612 3.7843 3.7843 3.9634 3.9634 4.1510 4.1510 4.2083 4.2083 4.5689 4.5689 4.6244 4.6244 8.2061 8.2061 8.5759 8.5759 8.5993 8.5993 9.5841 9.5841 9.6222 9.6222 k = 0.3333 0.5774 0.2661 ( 10620 PWs) bands (ev): -14.7544 -14.7544 -13.3140 -13.3140 -13.3140 -13.3140 -3.6193 -3.6193 -2.2886 -2.2886 -2.2269 -2.2269 -0.3238 -0.3238 -0.0781 -0.0781 -0.0306 -0.0306 0.6795 0.6795 0.8035 0.8035 0.8116 0.8116 2.8370 2.8370 2.8812 2.8812 3.0742 3.0742 3.2559 3.2559 3.3262 3.3262 3.4997 3.4997 3.5706 3.5706 3.6008 3.6008 3.6646 3.6646 3.7788 3.7788 3.9580 3.9580 4.1510 4.1510 4.2162 4.2162 4.5688 4.5688 4.6246 4.6246 8.2563 8.2563 8.5938 8.5938 8.6155 8.6155 9.5943 9.5943 9.6353 9.6353 k = 0.3333 0.5774 0.2828 ( 10602 PWs) bands (ev): -14.7542 -14.7542 -13.3140 -13.3140 -13.3139 -13.3139 -3.6217 -3.6217 -2.2963 -2.2963 -2.2276 -2.2276 -0.3136 -0.3136 -0.0740 -0.0740 -0.0244 -0.0244 0.6729 0.6729 0.7991 0.7991 0.8054 0.8054 2.8328 2.8328 2.8777 2.8777 3.0711 3.0711 3.2571 3.2571 3.3269 3.3269 3.5031 3.5031 3.5749 3.5749 3.6011 3.6011 3.6681 3.6681 3.7735 3.7735 3.9527 3.9527 4.1506 4.1506 4.2244 4.2244 4.5688 4.5688 4.6247 4.6247 8.3080 8.3080 8.6107 8.6107 8.6306 8.6306 9.6067 9.6067 9.6506 9.6506 k = 0.3333 0.5774 0.2994 ( 10590 PWs) bands (ev): -14.7540 -14.7540 -13.3139 -13.3139 -13.3138 -13.3138 -3.6241 -3.6241 -2.3038 -2.3038 -2.2284 -2.2284 -0.3037 -0.3037 -0.0698 -0.0698 -0.0182 -0.0182 0.6663 0.6663 0.7949 0.7949 0.7994 0.7994 2.8287 2.8287 2.8744 2.8744 3.0684 3.0684 3.2583 3.2583 3.3276 3.3276 3.5062 3.5062 3.5788 3.5788 3.6014 3.6014 3.6716 3.6716 3.7683 3.7683 3.9476 3.9476 4.1500 4.1500 4.2329 4.2329 4.5687 4.5687 4.6249 4.6249 8.3606 8.3606 8.6263 8.6263 8.6444 8.6444 9.6211 9.6211 9.6680 9.6680 k = 0.3333 0.5774 0.3160 ( 10608 PWs) bands (ev): -14.7538 -14.7538 -13.3138 -13.3138 -13.3138 -13.3138 -3.6263 -3.6263 -2.3108 -2.3108 -2.2291 -2.2291 -0.2944 -0.2944 -0.0658 -0.0658 -0.0123 -0.0123 0.6599 0.6599 0.7908 0.7908 0.7935 0.7935 2.8248 2.8248 2.8712 2.8712 3.0658 3.0658 3.2595 3.2595 3.3282 3.3282 3.5088 3.5088 3.5825 3.5825 3.6016 3.6016 3.6751 3.6751 3.7633 3.7633 3.9428 3.9428 4.1493 4.1493 4.2412 4.2412 4.5686 4.5686 4.6250 4.6250 8.4135 8.4135 8.6405 8.6405 8.6569 8.6569 9.6374 9.6374 9.6872 9.6872 k = 0.3333 0.5774 0.3327 ( 10608 PWs) bands (ev): -14.7536 -14.7536 -13.3137 -13.3137 -13.3137 -13.3137 -3.6284 -3.6284 -2.3174 -2.3174 -2.2298 -2.2298 -0.2857 -0.2857 -0.0618 -0.0618 -0.0066 -0.0066 0.6537 0.6537 0.7869 0.7869 0.7878 0.7878 2.8211 2.8211 2.8682 2.8682 3.0635 3.0635 3.2606 3.2606 3.3289 3.3289 3.5113 3.5113 3.5857 3.5857 3.6019 3.6019 3.6785 3.6785 3.7585 3.7585 3.9384 3.9384 4.1485 4.1485 4.2494 4.2494 4.5685 4.5685 4.6251 4.6251 8.4661 8.4661 8.6532 8.6532 8.6680 8.6680 9.6550 9.6550 9.7077 9.7077 k = 0.3333 0.5774 0.3493 ( 10614 PWs) bands (ev): -14.7534 -14.7534 -13.3137 -13.3137 -13.3136 -13.3136 -3.6304 -3.6304 -2.3234 -2.3234 -2.2304 -2.2304 -0.2776 -0.2776 -0.0580 -0.0580 -0.0012 -0.0012 0.6480 0.6480 0.7825 0.7825 0.7833 0.7833 2.8176 2.8176 2.8654 2.8654 3.0614 3.0614 3.2616 3.2616 3.3295 3.3295 3.5134 3.5134 3.5886 3.5886 3.6020 3.6020 3.6816 3.6816 3.7541 3.7541 3.9343 3.9343 4.1478 4.1478 4.2572 4.2572 4.5684 4.5684 4.6252 4.6252 8.5174 8.5174 8.6645 8.6645 8.6777 8.6777 9.6735 9.6735 9.7291 9.7291 k = 0.3333 0.5774 0.3659 ( 10602 PWs) bands (ev): -14.7533 -14.7533 -13.3136 -13.3136 -13.3136 -13.3136 -3.6322 -3.6322 -2.3289 -2.3289 -2.2310 -2.2310 -0.2703 -0.2703 -0.0544 -0.0544 0.0038 0.0038 0.6426 0.6426 0.7775 0.7775 0.7800 0.7800 2.8145 2.8145 2.8629 2.8629 3.0596 3.0596 3.2625 3.2625 3.3300 3.3300 3.5153 3.5153 3.5911 3.5911 3.6022 3.6022 3.6846 3.6846 3.7500 3.7500 3.9306 3.9306 4.1470 4.1470 4.2644 4.2644 4.5683 4.5683 4.6252 4.6252 8.5665 8.5665 8.6742 8.6742 8.6859 8.6859 9.6923 9.6923 9.7505 9.7505 k = 0.3333 0.5774 0.3826 ( 10590 PWs) bands (ev): -14.7531 -14.7531 -13.3136 -13.3136 -13.3135 -13.3135 -3.6338 -3.6338 -2.3337 -2.3337 -2.2315 -2.2315 -0.2638 -0.2638 -0.0511 -0.0511 0.0083 0.0083 0.6378 0.6378 0.7730 0.7730 0.7770 0.7770 2.8117 2.8117 2.8606 2.8606 3.0580 3.0580 3.2634 3.2634 3.3305 3.3305 3.5169 3.5169 3.5933 3.5933 3.6024 3.6024 3.6872 3.6872 3.7464 3.7464 3.9273 3.9273 4.1463 4.1463 4.2709 4.2709 4.5682 4.5682 4.6253 4.6253 8.6123 8.6123 8.6826 8.6826 8.6929 8.6929 9.7108 9.7108 9.7714 9.7714 k = 0.3333 0.5774 0.3992 ( 10581 PWs) bands (ev): -14.7530 -14.7530 -13.3135 -13.3135 -13.3135 -13.3135 -3.6352 -3.6352 -2.3378 -2.3378 -2.2319 -2.2319 -0.2583 -0.2583 -0.0482 -0.0482 0.0122 0.0122 0.6335 0.6335 0.7691 0.7691 0.7744 0.7744 2.8093 2.8093 2.8586 2.8586 3.0567 3.0567 3.2641 3.2641 3.3310 3.3310 3.5183 3.5183 3.5951 3.5951 3.6025 3.6025 3.6895 3.6895 3.7432 3.7432 3.9245 3.9245 4.1456 4.1456 4.2767 4.2767 4.5681 4.5681 4.6253 4.6253 8.6534 8.6534 8.6900 8.6900 8.6986 8.6986 9.7282 9.7282 9.7910 9.7910 k = 0.3333 0.5774 0.4158 ( 10578 PWs) bands (ev): -14.7529 -14.7529 -13.3135 -13.3135 -13.3135 -13.3135 -3.6364 -3.6364 -2.3412 -2.3412 -2.2323 -2.2323 -0.2536 -0.2536 -0.0457 -0.0457 0.0156 0.0156 0.6300 0.6300 0.7658 0.7658 0.7723 0.7723 2.8072 2.8072 2.8570 2.8570 3.0556 3.0556 3.2647 3.2647 3.3313 3.3313 3.5194 3.5194 3.5966 3.5966 3.6026 3.6026 3.6914 3.6914 3.7405 3.7405 3.9222 3.9222 4.1451 4.1451 4.2815 4.2815 4.5680 4.5680 4.6254 4.6254 8.6855 8.6855 8.6996 8.6996 8.7031 8.7031 9.7438 9.7438 9.8083 9.8083 k = 0.3333 0.5774 0.4325 ( 10584 PWs) bands (ev): -14.7528 -14.7528 -13.3135 -13.3135 -13.3134 -13.3134 -3.6374 -3.6374 -2.3439 -2.3439 -2.2326 -2.2326 -0.2500 -0.2500 -0.0437 -0.0437 0.0182 0.0182 0.6271 0.6271 0.7632 0.7632 0.7706 0.7706 2.8056 2.8056 2.8557 2.8557 3.0547 3.0547 3.2652 3.2652 3.3316 3.3316 3.5203 3.5203 3.5977 3.5977 3.6026 3.6026 3.6930 3.6930 3.7384 3.7384 3.9203 3.9203 4.1447 4.1447 4.2854 4.2854 4.5680 4.5680 4.6254 4.6254 8.6962 8.6962 8.7065 8.7065 8.7227 8.7227 9.7568 9.7568 9.8228 9.8228 k = 0.3333 0.5774 0.4491 ( 10578 PWs) bands (ev): -14.7528 -14.7528 -13.3134 -13.3134 -13.3134 -13.3134 -3.6380 -3.6380 -2.3459 -2.3459 -2.2328 -2.2328 -0.2474 -0.2474 -0.0422 -0.0422 0.0202 0.0202 0.6250 0.6250 0.7612 0.7612 0.7693 0.7693 2.8045 2.8045 2.8547 2.8547 3.0541 3.0541 3.2655 3.2655 3.3318 3.3318 3.5210 3.5210 3.5985 3.5985 3.6027 3.6027 3.6941 3.6941 3.7368 3.7368 3.9190 3.9190 4.1443 4.1443 4.2882 4.2882 4.5679 4.5679 4.6254 4.6254 8.6999 8.6999 8.7089 8.7089 8.7440 8.7440 9.7666 9.7666 9.8337 9.8337 k = 0.3333 0.5774 0.4657 ( 10593 PWs) bands (ev): -14.7527 -14.7527 -13.3134 -13.3134 -13.3134 -13.3134 -3.6384 -3.6384 -2.3470 -2.3470 -2.2329 -2.2329 -0.2458 -0.2458 -0.0413 -0.0413 0.0213 0.0213 0.6238 0.6238 0.7601 0.7601 0.7686 0.7686 2.8038 2.8038 2.8542 2.8542 3.0538 3.0538 3.2657 3.2657 3.3319 3.3319 3.5214 3.5214 3.5990 3.5990 3.6027 3.6027 3.6948 3.6948 3.7359 3.7359 3.9182 3.9182 4.1441 4.1441 4.2899 4.2899 4.5679 4.5679 4.6254 4.6254 8.7018 8.7018 8.7103 8.7103 8.7574 8.7574 9.7727 9.7727 9.8405 9.8405 k = 0.3333 0.5774 0.4824 ( 10590 PWs) bands (ev): -14.7527 -14.7527 -13.3134 -13.3134 -13.3134 -13.3134 -3.6386 -3.6386 -2.3474 -2.3474 -2.2330 -2.2330 -0.2453 -0.2453 -0.0410 -0.0410 0.0217 0.0217 0.6234 0.6234 0.7597 0.7597 0.7683 0.7683 2.8036 2.8036 2.8540 2.8540 3.0537 3.0537 3.2658 3.2658 3.3320 3.3320 3.5215 3.5215 3.5991 3.5991 3.6027 3.6027 3.6950 3.6950 3.7355 3.7355 3.9180 3.9180 4.1441 4.1441 4.2905 4.2905 4.5679 4.5679 4.6254 4.6254 8.7024 8.7024 8.7108 8.7108 8.7619 8.7619 9.7748 9.7748 9.8427 9.8427 Writing output data file CsCu3O2.save init_run : 0.50s CPU 0.81s WALL ( 1 calls) electrons : 293.11s CPU 296.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 293.10s CPU 296.95s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.20s WALL ( 286 calls) cegterg : 263.58s CPU 265.91s WALL ( 333 calls) Called by sum_band: Called by *egterg: h_psi : 169.28s CPU 170.99s WALL ( 5596 calls) s_psi : 13.05s CPU 13.22s WALL ( 5596 calls) g_psi : 0.62s CPU 0.61s WALL ( 4977 calls) cdiaghg : 62.32s CPU 62.91s WALL ( 5263 calls) cegterg:over : 15.12s CPU 15.18s WALL ( 4977 calls) cegterg:upda : 13.90s CPU 13.95s WALL ( 4977 calls) cegterg:last : 6.50s CPU 6.60s WALL ( 905 calls) cdiaghg:chol : 3.66s CPU 3.65s WALL ( 5263 calls) cdiaghg:inve : 2.61s CPU 2.62s WALL ( 5263 calls) cdiaghg:para : 4.72s CPU 4.48s WALL ( 10526 calls) Called by h_psi: h_psi:vloc : 143.16s CPU 144.97s WALL ( 5596 calls) h_psi:vnl : 25.54s CPU 25.43s WALL ( 5596 calls) add_vuspsi : 14.23s CPU 14.18s WALL ( 5596 calls) General routines calbec : 11.27s CPU 11.23s WALL ( 5596 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 135.61s CPU 137.40s WALL ( 806324 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.32s CPU 0.52s WALL ( 572 calls) Parallel routines fft_scatter : 41.91s CPU 43.11s WALL ( 806347 calls) PWSCF : 5m24.22s CPU 5m48.45s WALL This run was terminated on: 17:40:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=