Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:28:49 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: ./BaAl2xSiO4x2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 62 35 10 3488 1531 234 Max 63 36 11 3495 1552 241 Sum 2233 1285 367 125689 55481 8513 bravais-lattice index = 14 lattice parameter (alat) = 10.0082 a.u. unit-cell volume = 1276.2884 (a.u.)^3 number of atoms/cell = 13 number of atomic types = 4 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.008197 celldm(2)= 1.000000 celldm(3)= 1.470113 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 1.470113 ) 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 0.680220 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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. # 4 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) Si 4.00 28.08550 Si( 1.00) 6 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 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 inversion cryst. s( 4) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 -1 0 ) ( 1 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 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 1 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 ) double point group S_6 (-3) there are 12 classes and 6 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6 G_4+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5+ 1.00 -1.00 0.50 -0.50 0.50 -0.50 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6+ 1.00 -1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 -1.00 1.00 -1.00 1.00 G_4- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50 G_5- 1.00 -1.00 0.50 -0.50 0.50 -0.50 -1.00 1.00 -0.50 0.50 -0.50 0.50 G_6- 1.00 -1.00 -1.00 1.00 -1.00 1.00 -1.00 1.00 1.00 -1.00 1.00 -1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 i -i S6^5 -S6^5 S6 -S6 G_4+ 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5+ 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6+ 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_4- 0.00 0.00 0.87 -0.87 -0.87 0.87 0.00 0.00 -0.87 0.87 0.87 -0.87 G_5- 0.00 0.00 -0.87 0.87 0.87 -0.87 0.00 0.00 0.87 -0.87 -0.87 0.87 G_6- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C3 2 120 deg rotation - cryst. axis [0,0,1] -C3 -2 120 deg rotation - cryst. axis [0,0,1] E C3^2 3 120 deg rotation - cryst. axis [0,0,-1] -C3^2 -3 120 deg rotation - cryst. axis [0,0,-1] E i 4 inversion -i -4 inversion E S6^5 5 inv. 120 deg rotation - cryst. axis [0,0,1] -S6^5 -5 inv. 120 deg rotation - cryst. axis [0,0,1] E S6 6 inv. 120 deg rotation - cryst. axis [0,0,-1] -S6 -6 inv. 120 deg rotation - cryst. axis [0,0,-1] E Cartesian axes number of k points= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0038168 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0038168 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0038168 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0038168 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0038168 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0038168 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0038168 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0038168 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0038168 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0038168 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0038168 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0038168 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0038168 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0038168 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0038168 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0038168 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0038168 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0038168 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0038168 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0038168 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0038168 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0038168 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0038168 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0038168 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0038168 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0038168 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0038168 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0038168 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0038168 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0038168 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0038168 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0038168 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0038168 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0038168 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0038168 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0038168 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0038168 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0038168 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0038168 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0038168 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0038168 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0038168 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0038168 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0038168 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0038168 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0038168 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0038168 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0038168 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0038168 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0038168 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0038168 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0038168 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0038168 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0038168 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0038168 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0038168 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0038168 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0038168 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0038168 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0038168 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0038168 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0038168 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0038168 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0038168 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0038168 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0038168 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0038168 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0038168 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0038168 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0038168 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0038168 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0038168 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0038168 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0038168 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0038168 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0038168 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0038168 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0038168 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0038168 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0038168 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0038168 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0038168 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0038168 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0038168 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0038168 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0038168 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0038168 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0038168 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0038168 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0038168 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0038168 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0038168 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 100) = ( 0.0000000 0.0000000 0.0161957), wk = 0.0038168 k( 101) = ( 0.0000000 0.0000000 0.0323914), wk = 0.0038168 k( 102) = ( 0.0000000 0.0000000 0.0485871), wk = 0.0038168 k( 103) = ( 0.0000000 0.0000000 0.0647828), wk = 0.0038168 k( 104) = ( 0.0000000 0.0000000 0.0809786), wk = 0.0038168 k( 105) = ( 0.0000000 0.0000000 0.0971743), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.1133700), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.1295657), wk = 0.0038168 k( 108) = ( 0.0000000 0.0000000 0.1457614), wk = 0.0038168 k( 109) = ( 0.0000000 0.0000000 0.1619571), wk = 0.0038168 k( 110) = ( 0.0000000 0.0000000 0.1781528), wk = 0.0038168 k( 111) = ( 0.0000000 0.0000000 0.1943485), wk = 0.0038168 k( 112) = ( 0.0000000 0.0000000 0.2105442), wk = 0.0038168 k( 113) = ( 0.0000000 0.0000000 0.2267399), wk = 0.0038168 k( 114) = ( 0.0000000 0.0000000 0.2429357), wk = 0.0038168 k( 115) = ( 0.0000000 0.0000000 0.2591314), wk = 0.0038168 k( 116) = ( 0.0000000 0.0000000 0.2753271), wk = 0.0038168 k( 117) = ( 0.0000000 0.0000000 0.2915228), wk = 0.0038168 k( 118) = ( 0.0000000 0.0000000 0.3077185), wk = 0.0038168 k( 119) = ( 0.0000000 0.0000000 0.3239142), wk = 0.0038168 k( 120) = ( 0.0000000 0.0000000 0.3401099), wk = 0.0038168 k( 121) = ( 0.0000000 0.0000000 0.3401099), wk = 0.0038168 k( 122) = ( 0.0142857 0.0082479 0.3401099), wk = 0.0038168 k( 123) = ( 0.0285714 0.0164957 0.3401099), wk = 0.0038168 k( 124) = ( 0.0428571 0.0247436 0.3401099), wk = 0.0038168 k( 125) = ( 0.0571429 0.0329914 0.3401099), wk = 0.0038168 k( 126) = ( 0.0714286 0.0412393 0.3401099), wk = 0.0038168 k( 127) = ( 0.0857143 0.0494872 0.3401099), wk = 0.0038168 k( 128) = ( 0.1000000 0.0577350 0.3401099), wk = 0.0038168 k( 129) = ( 0.1142857 0.0659829 0.3401099), wk = 0.0038168 k( 130) = ( 0.1285714 0.0742307 0.3401099), wk = 0.0038168 k( 131) = ( 0.1428571 0.0824786 0.3401099), wk = 0.0038168 k( 132) = ( 0.1571429 0.0907265 0.3401099), wk = 0.0038168 k( 133) = ( 0.1714286 0.0989743 0.3401099), wk = 0.0038168 k( 134) = ( 0.1857143 0.1072222 0.3401099), wk = 0.0038168 k( 135) = ( 0.2000000 0.1154701 0.3401099), wk = 0.0038168 k( 136) = ( 0.2142857 0.1237179 0.3401099), wk = 0.0038168 k( 137) = ( 0.2285714 0.1319658 0.3401099), wk = 0.0038168 k( 138) = ( 0.2428571 0.1402136 0.3401099), wk = 0.0038168 k( 139) = ( 0.2571429 0.1484615 0.3401099), wk = 0.0038168 k( 140) = ( 0.2714286 0.1567094 0.3401099), wk = 0.0038168 k( 141) = ( 0.2857143 0.1649572 0.3401099), wk = 0.0038168 k( 142) = ( 0.3000000 0.1732051 0.3401099), wk = 0.0038168 k( 143) = ( 0.3142857 0.1814529 0.3401099), wk = 0.0038168 k( 144) = ( 0.3285714 0.1897008 0.3401099), wk = 0.0038168 k( 145) = ( 0.3428571 0.1979487 0.3401099), wk = 0.0038168 k( 146) = ( 0.3571429 0.2061965 0.3401099), wk = 0.0038168 k( 147) = ( 0.3714286 0.2144444 0.3401099), wk = 0.0038168 k( 148) = ( 0.3857143 0.2226922 0.3401099), wk = 0.0038168 k( 149) = ( 0.4000000 0.2309401 0.3401099), wk = 0.0038168 k( 150) = ( 0.4142857 0.2391880 0.3401099), wk = 0.0038168 k( 151) = ( 0.4285714 0.2474358 0.3401099), wk = 0.0038168 k( 152) = ( 0.4428571 0.2556837 0.3401099), wk = 0.0038168 k( 153) = ( 0.4571429 0.2639316 0.3401099), wk = 0.0038168 k( 154) = ( 0.4714286 0.2721794 0.3401099), wk = 0.0038168 k( 155) = ( 0.4857143 0.2804273 0.3401099), wk = 0.0038168 k( 156) = ( 0.5000000 0.2886751 0.3401099), wk = 0.0038168 k( 157) = ( 0.5000000 0.2886751 0.3401099), wk = 0.0038168 k( 158) = ( 0.4916667 0.3031089 0.3401099), wk = 0.0038168 k( 159) = ( 0.4833333 0.3175426 0.3401099), wk = 0.0038168 k( 160) = ( 0.4750000 0.3319764 0.3401099), wk = 0.0038168 k( 161) = ( 0.4666667 0.3464102 0.3401099), wk = 0.0038168 k( 162) = ( 0.4583333 0.3608439 0.3401099), wk = 0.0038168 k( 163) = ( 0.4500000 0.3752777 0.3401099), wk = 0.0038168 k( 164) = ( 0.4416667 0.3897114 0.3401099), wk = 0.0038168 k( 165) = ( 0.4333333 0.4041452 0.3401099), wk = 0.0038168 k( 166) = ( 0.4250000 0.4185789 0.3401099), wk = 0.0038168 k( 167) = ( 0.4166667 0.4330127 0.3401099), wk = 0.0038168 k( 168) = ( 0.4083333 0.4474465 0.3401099), wk = 0.0038168 k( 169) = ( 0.4000000 0.4618802 0.3401099), wk = 0.0038168 k( 170) = ( 0.3916667 0.4763140 0.3401099), wk = 0.0038168 k( 171) = ( 0.3833333 0.4907477 0.3401099), wk = 0.0038168 k( 172) = ( 0.3750000 0.5051815 0.3401099), wk = 0.0038168 k( 173) = ( 0.3666667 0.5196152 0.3401099), wk = 0.0038168 k( 174) = ( 0.3583333 0.5340490 0.3401099), wk = 0.0038168 k( 175) = ( 0.3500000 0.5484828 0.3401099), wk = 0.0038168 k( 176) = ( 0.3416667 0.5629165 0.3401099), wk = 0.0038168 k( 177) = ( 0.3333333 0.5773503 0.3401099), wk = 0.0038168 k( 178) = ( 0.3333333 0.5773503 0.3401099), wk = 0.0038168 k( 179) = ( 0.3250000 0.5629165 0.3401099), wk = 0.0038168 k( 180) = ( 0.3166667 0.5484828 0.3401099), wk = 0.0038168 k( 181) = ( 0.3083333 0.5340490 0.3401099), wk = 0.0038168 k( 182) = ( 0.3000000 0.5196152 0.3401099), wk = 0.0038168 k( 183) = ( 0.2916667 0.5051815 0.3401099), wk = 0.0038168 k( 184) = ( 0.2833333 0.4907477 0.3401099), wk = 0.0038168 k( 185) = ( 0.2750000 0.4763140 0.3401099), wk = 0.0038168 k( 186) = ( 0.2666667 0.4618802 0.3401099), wk = 0.0038168 k( 187) = ( 0.2583333 0.4474465 0.3401099), wk = 0.0038168 k( 188) = ( 0.2500000 0.4330127 0.3401099), wk = 0.0038168 k( 189) = ( 0.2416667 0.4185790 0.3401099), wk = 0.0038168 k( 190) = ( 0.2333333 0.4041452 0.3401099), wk = 0.0038168 k( 191) = ( 0.2250000 0.3897114 0.3401099), wk = 0.0038168 k( 192) = ( 0.2166667 0.3752777 0.3401099), wk = 0.0038168 k( 193) = ( 0.2083333 0.3608439 0.3401099), wk = 0.0038168 k( 194) = ( 0.2000000 0.3464102 0.3401099), wk = 0.0038168 k( 195) = ( 0.1916667 0.3319764 0.3401099), wk = 0.0038168 k( 196) = ( 0.1833333 0.3175426 0.3401099), wk = 0.0038168 k( 197) = ( 0.1750000 0.3031089 0.3401099), wk = 0.0038168 k( 198) = ( 0.1666667 0.2886751 0.3401099), wk = 0.0038168 k( 199) = ( 0.1583333 0.2742414 0.3401099), wk = 0.0038168 k( 200) = ( 0.1500000 0.2598076 0.3401099), wk = 0.0038168 k( 201) = ( 0.1416667 0.2453739 0.3401099), wk = 0.0038168 k( 202) = ( 0.1333333 0.2309401 0.3401099), wk = 0.0038168 k( 203) = ( 0.1250000 0.2165064 0.3401099), wk = 0.0038168 k( 204) = ( 0.1166667 0.2020726 0.3401099), wk = 0.0038168 k( 205) = ( 0.1083333 0.1876388 0.3401099), wk = 0.0038168 k( 206) = ( 0.1000000 0.1732051 0.3401099), wk = 0.0038168 k( 207) = ( 0.0916667 0.1587713 0.3401099), wk = 0.0038168 k( 208) = ( 0.0833333 0.1443376 0.3401099), wk = 0.0038168 k( 209) = ( 0.0750000 0.1299038 0.3401099), wk = 0.0038168 k( 210) = ( 0.0666667 0.1154701 0.3401099), wk = 0.0038168 k( 211) = ( 0.0583333 0.1010363 0.3401099), wk = 0.0038168 k( 212) = ( 0.0500000 0.0866025 0.3401099), wk = 0.0038168 k( 213) = ( 0.0416667 0.0721688 0.3401099), wk = 0.0038168 k( 214) = ( 0.0333333 0.0577350 0.3401099), wk = 0.0038168 k( 215) = ( 0.0250000 0.0433013 0.3401099), wk = 0.0038168 k( 216) = ( 0.0166667 0.0288675 0.3401099), wk = 0.0038168 k( 217) = ( 0.0083333 0.0144338 0.3401099), wk = 0.0038168 k( 218) = ( 0.0000000 0.0000000 0.3401099), wk = 0.0038168 k( 219) = ( 0.5000000 0.2886751 0.3401099), wk = 0.0038168 k( 220) = ( 0.5000000 0.2886751 0.3239142), wk = 0.0038168 k( 221) = ( 0.5000000 0.2886751 0.3077185), wk = 0.0038168 k( 222) = ( 0.5000000 0.2886751 0.2915228), wk = 0.0038168 k( 223) = ( 0.5000000 0.2886751 0.2753271), wk = 0.0038168 k( 224) = ( 0.5000000 0.2886751 0.2591314), wk = 0.0038168 k( 225) = ( 0.5000000 0.2886751 0.2429357), wk = 0.0038168 k( 226) = ( 0.5000000 0.2886751 0.2267399), wk = 0.0038168 k( 227) = ( 0.5000000 0.2886751 0.2105442), wk = 0.0038168 k( 228) = ( 0.5000000 0.2886751 0.1943485), wk = 0.0038168 k( 229) = ( 0.5000000 0.2886751 0.1781528), wk = 0.0038168 k( 230) = ( 0.5000000 0.2886751 0.1619571), wk = 0.0038168 k( 231) = ( 0.5000000 0.2886751 0.1457614), wk = 0.0038168 k( 232) = ( 0.5000000 0.2886751 0.1295657), wk = 0.0038168 k( 233) = ( 0.5000000 0.2886751 0.1133700), wk = 0.0038168 k( 234) = ( 0.5000000 0.2886751 0.0971743), wk = 0.0038168 k( 235) = ( 0.5000000 0.2886751 0.0809786), wk = 0.0038168 k( 236) = ( 0.5000000 0.2886751 0.0647828), wk = 0.0038168 k( 237) = ( 0.5000000 0.2886751 0.0485871), wk = 0.0038168 k( 238) = ( 0.5000000 0.2886751 0.0323914), wk = 0.0038168 k( 239) = ( 0.5000000 0.2886751 0.0161957), wk = 0.0038168 k( 240) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0038168 k( 241) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0038168 k( 242) = ( 0.3333333 0.5773503 0.0161957), wk = 0.0038168 k( 243) = ( 0.3333333 0.5773503 0.0323914), wk = 0.0038168 k( 244) = ( 0.3333333 0.5773503 0.0485871), wk = 0.0038168 k( 245) = ( 0.3333333 0.5773503 0.0647828), wk = 0.0038168 k( 246) = ( 0.3333333 0.5773503 0.0809786), wk = 0.0038168 k( 247) = ( 0.3333333 0.5773503 0.0971743), wk = 0.0038168 k( 248) = ( 0.3333333 0.5773503 0.1133700), wk = 0.0038168 k( 249) = ( 0.3333333 0.5773503 0.1295657), wk = 0.0038168 k( 250) = ( 0.3333333 0.5773503 0.1457614), wk = 0.0038168 k( 251) = ( 0.3333333 0.5773503 0.1619571), wk = 0.0038168 k( 252) = ( 0.3333333 0.5773503 0.1781528), wk = 0.0038168 k( 253) = ( 0.3333333 0.5773503 0.1943485), wk = 0.0038168 k( 254) = ( 0.3333333 0.5773503 0.2105442), wk = 0.0038168 k( 255) = ( 0.3333333 0.5773503 0.2267399), wk = 0.0038168 k( 256) = ( 0.3333333 0.5773503 0.2429357), wk = 0.0038168 k( 257) = ( 0.3333333 0.5773503 0.2591314), wk = 0.0038168 k( 258) = ( 0.3333333 0.5773503 0.2753271), wk = 0.0038168 k( 259) = ( 0.3333333 0.5773503 0.2915228), wk = 0.0038168 k( 260) = ( 0.3333333 0.5773503 0.3077185), wk = 0.0038168 k( 261) = ( 0.3333333 0.5773503 0.3239142), wk = 0.0038168 k( 262) = ( 0.3333333 0.5773503 0.3401099), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0142857 0.0000000 0.0000000), wk = 0.0038168 k( 3) = ( 0.0285714 -0.0000000 -0.0000000), wk = 0.0038168 k( 4) = ( 0.0428571 -0.0000000 0.0000000), wk = 0.0038168 k( 5) = ( 0.0571429 -0.0000000 -0.0000000), wk = 0.0038168 k( 6) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0038168 k( 7) = ( 0.0857143 -0.0000000 0.0000000), wk = 0.0038168 k( 8) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0038168 k( 9) = ( 0.1142857 -0.0000000 -0.0000000), wk = 0.0038168 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0038168 k( 11) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0038168 k( 12) = ( 0.1571429 -0.0000000 0.0000000), wk = 0.0038168 k( 13) = ( 0.1714286 -0.0000000 -0.0000000), wk = 0.0038168 k( 14) = ( 0.1857143 -0.0000000 0.0000000), wk = 0.0038168 k( 15) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0038168 k( 16) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0038168 k( 17) = ( 0.2285714 0.0000000 0.0000000), wk = 0.0038168 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0038168 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0038168 k( 20) = ( 0.2714286 -0.0000000 0.0000000), wk = 0.0038168 k( 21) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0038168 k( 22) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0038168 k( 23) = ( 0.3142857 -0.0000000 0.0000000), wk = 0.0038168 k( 24) = ( 0.3285714 -0.0000000 -0.0000000), wk = 0.0038168 k( 25) = ( 0.3428571 -0.0000000 -0.0000000), wk = 0.0038168 k( 26) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0038168 k( 27) = ( 0.3714286 -0.0000000 0.0000000), wk = 0.0038168 k( 28) = ( 0.3857143 -0.0000000 -0.0000000), wk = 0.0038168 k( 29) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0038168 k( 30) = ( 0.4142857 -0.0000000 0.0000000), wk = 0.0038168 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0038168 k( 32) = ( 0.4428571 0.0000000 0.0000000), wk = 0.0038168 k( 33) = ( 0.4571429 0.0000000 0.0000000), wk = 0.0038168 k( 34) = ( 0.4714286 -0.0000000 -0.0000000), wk = 0.0038168 k( 35) = ( 0.4857143 -0.0000000 -0.0000000), wk = 0.0038168 k( 36) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038168 k( 37) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038168 k( 38) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0038168 k( 39) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0038168 k( 40) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0038168 k( 41) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0038168 k( 42) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0038168 k( 43) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0038168 k( 44) = ( 0.4416667 0.1166667 -0.0000000), wk = 0.0038168 k( 45) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0038168 k( 46) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0038168 k( 47) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0038168 k( 48) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0038168 k( 49) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0038168 k( 50) = ( 0.3916667 0.2166667 -0.0000000), wk = 0.0038168 k( 51) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0038168 k( 52) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0038168 k( 53) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0038168 k( 54) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0038168 k( 55) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0038168 k( 56) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0038168 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038168 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038168 k( 59) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0038168 k( 60) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0038168 k( 61) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0038168 k( 62) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0038168 k( 63) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0038168 k( 64) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0038168 k( 65) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0038168 k( 66) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0038168 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0038168 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0038168 k( 69) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0038168 k( 70) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0038168 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0038168 k( 72) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0038168 k( 73) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0038168 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0038168 k( 75) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0038168 k( 76) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0038168 k( 77) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0038168 k( 78) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0038168 k( 79) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0038168 k( 80) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0038168 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0038168 k( 82) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0038168 k( 83) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0038168 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0038168 k( 85) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0038168 k( 86) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0038168 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0038168 k( 88) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0038168 k( 89) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0038168 k( 90) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0038168 k( 91) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0038168 k( 92) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0038168 k( 93) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0038168 k( 94) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0038168 k( 95) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0038168 k( 96) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0038168 k( 97) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0038168 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 100) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0038168 k( 101) = ( 0.0000000 0.0000000 0.0476190), wk = 0.0038168 k( 102) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0038168 k( 103) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0038168 k( 104) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0038168 k( 105) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0038168 k( 106) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038168 k( 107) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0038168 k( 108) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0038168 k( 109) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0038168 k( 110) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0038168 k( 111) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0038168 k( 112) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0038168 k( 113) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038168 k( 114) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0038168 k( 115) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0038168 k( 116) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0038168 k( 117) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0038168 k( 118) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0038168 k( 119) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0038168 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 122) = ( 0.0142857 0.0000000 0.5000000), wk = 0.0038168 k( 123) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0038168 k( 124) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0038168 k( 125) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0038168 k( 126) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0038168 k( 127) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0038168 k( 128) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0038168 k( 129) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0038168 k( 130) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0038168 k( 131) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0038168 k( 132) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0038168 k( 133) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0038168 k( 134) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0038168 k( 135) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0038168 k( 136) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0038168 k( 137) = ( 0.2285714 0.0000000 0.5000000), wk = 0.0038168 k( 138) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0038168 k( 139) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0038168 k( 140) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0038168 k( 141) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0038168 k( 142) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0038168 k( 143) = ( 0.3142857 -0.0000000 0.5000000), wk = 0.0038168 k( 144) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0038168 k( 145) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0038168 k( 146) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0038168 k( 147) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0038168 k( 148) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0038168 k( 149) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0038168 k( 150) = ( 0.4142857 -0.0000000 0.5000000), wk = 0.0038168 k( 151) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0038168 k( 152) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0038168 k( 153) = ( 0.4571429 0.0000000 0.5000000), wk = 0.0038168 k( 154) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0038168 k( 155) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0038168 k( 156) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 157) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 158) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0038168 k( 159) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0038168 k( 160) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0038168 k( 161) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0038168 k( 162) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0038168 k( 163) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0038168 k( 164) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0038168 k( 165) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0038168 k( 166) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0038168 k( 167) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0038168 k( 168) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0038168 k( 169) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0038168 k( 170) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0038168 k( 171) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0038168 k( 172) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0038168 k( 173) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0038168 k( 174) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0038168 k( 175) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0038168 k( 176) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0038168 k( 177) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 k( 178) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 k( 179) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0038168 k( 180) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0038168 k( 181) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0038168 k( 182) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0038168 k( 183) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0038168 k( 184) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0038168 k( 185) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0038168 k( 186) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0038168 k( 187) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0038168 k( 188) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0038168 k( 189) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0038168 k( 190) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0038168 k( 191) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0038168 k( 192) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0038168 k( 193) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0038168 k( 194) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0038168 k( 195) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0038168 k( 196) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0038168 k( 197) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0038168 k( 198) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0038168 k( 199) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0038168 k( 200) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0038168 k( 201) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0038168 k( 202) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0038168 k( 203) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0038168 k( 204) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0038168 k( 205) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0038168 k( 206) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0038168 k( 207) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0038168 k( 208) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0038168 k( 209) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0038168 k( 210) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0038168 k( 211) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0038168 k( 212) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0038168 k( 213) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0038168 k( 214) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0038168 k( 215) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0038168 k( 216) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0038168 k( 217) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0038168 k( 218) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 219) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 220) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0038168 k( 221) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0038168 k( 222) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0038168 k( 223) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0038168 k( 224) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0038168 k( 225) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0038168 k( 226) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0038168 k( 227) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0038168 k( 228) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0038168 k( 229) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0038168 k( 230) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0038168 k( 231) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0038168 k( 232) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0038168 k( 233) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0038168 k( 234) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0038168 k( 235) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0038168 k( 236) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0038168 k( 237) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0038168 k( 238) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0038168 k( 239) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0038168 k( 240) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038168 k( 241) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0038168 k( 242) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0038168 k( 243) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0038168 k( 244) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0038168 k( 245) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0038168 k( 246) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0038168 k( 247) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0038168 k( 248) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0038168 k( 249) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0038168 k( 250) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0038168 k( 251) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0038168 k( 252) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0038168 k( 253) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0038168 k( 254) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0038168 k( 255) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0038168 k( 256) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0038168 k( 257) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0038168 k( 258) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0038168 k( 259) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0038168 k( 260) = ( 0.3333333 0.3333333 0.4523809), wk = 0.0038168 k( 261) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0038168 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0038168 Dense grid: 125689 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 55481 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 394, 86) NL pseudopotentials 0.85 Mb ( 197, 283) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3494) G-vector shells 0.01 Mb ( 1703) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.07 Mb ( 394, 344) Each subspace H/S matrix 0.11 Mb ( 86, 86) Each matrix 0.74 Mb ( 283, 2, 86) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaAl2xSiO4x2.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.3 secs Computing kpt #: 3 total cpu time spent up to now is 9.2 secs Computing kpt #: 4 total cpu time spent up to now is 11.3 secs Computing kpt #: 5 total cpu time spent up to now is 13.1 secs Computing kpt #: 6 total cpu time spent up to now is 15.2 secs Computing kpt #: 7 total cpu time spent up to now is 17.1 secs Computing kpt #: 8 total cpu time spent up to now is 19.2 secs Computing kpt #: 9 total cpu time spent up to now is 21.3 secs Computing kpt #: 10 total cpu time spent up to now is 23.4 secs Computing kpt #: 11 total cpu time spent up to now is 25.6 secs Computing kpt #: 12 total cpu time spent up to now is 27.7 secs Computing kpt #: 13 total cpu time spent up to now is 29.8 secs Computing kpt #: 14 total cpu time spent up to now is 32.0 secs Computing kpt #: 15 total cpu time spent up to now is 34.2 secs Computing kpt #: 16 total cpu time spent up to now is 36.3 secs Computing kpt #: 17 total cpu time spent up to now is 38.3 secs Computing kpt #: 18 total cpu time spent up to now is 40.3 secs Computing kpt #: 19 total cpu time spent up to now is 42.3 secs Computing kpt #: 20 total cpu time spent up to now is 44.1 secs Computing kpt #: 21 total cpu time spent up to now is 46.0 secs Computing kpt #: 22 total cpu time spent up to now is 48.0 secs Computing kpt #: 23 total cpu time spent up to now is 49.7 secs Computing kpt #: 24 total cpu time spent up to now is 51.3 secs Computing kpt #: 25 total cpu time spent up to now is 53.0 secs Computing kpt #: 26 total cpu time spent up to now is 55.0 secs Computing kpt #: 27 total cpu time spent up to now is 57.1 secs Computing kpt #: 28 total cpu time spent up to now is 59.1 secs Computing kpt #: 29 total cpu time spent up to now is 61.1 secs Computing kpt #: 30 total cpu time spent up to now is 63.2 secs Computing kpt #: 31 total cpu time spent up to now is 65.2 secs Computing kpt #: 32 total cpu time spent up to now is 67.2 secs Computing kpt #: 33 total cpu time spent up to now is 69.3 secs Computing kpt #: 34 total cpu time spent up to now is 71.3 secs Computing kpt #: 35 total cpu time spent up to now is 73.0 secs Computing kpt #: 36 total cpu time spent up to now is 74.8 secs Computing kpt #: 37 total cpu time spent up to now is 76.8 secs Computing kpt #: 38 total cpu time spent up to now is 78.9 secs Computing kpt #: 39 total cpu time spent up to now is 80.9 secs Computing kpt #: 40 total cpu time spent up to now is 82.7 secs Computing kpt #: 41 total cpu time spent up to now is 84.6 secs Computing kpt #: 42 total cpu time spent up to now is 86.5 secs Computing kpt #: 43 total cpu time spent up to now is 88.6 secs Computing kpt #: 44 total cpu time spent up to now is 90.7 secs Computing kpt #: 45 total cpu time spent up to now is 92.9 secs Computing kpt #: 46 total cpu time spent up to now is 95.1 secs Computing kpt #: 47 total cpu time spent up to now is 97.2 secs Computing kpt #: 48 total cpu time spent up to now is 99.6 secs Computing kpt #: 49 total cpu time spent up to now is 102.3 secs Computing kpt #: 50 total cpu time spent up to now is 104.7 secs Computing kpt #: 51 total cpu time spent up to now is 107.9 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.7 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.5 secs Computing kpt #: 54 total cpu time spent up to now is 118.7 secs Computing kpt #: 55 total cpu time spent up to now is 120.8 secs Computing kpt #: 56 total cpu time spent up to now is 122.8 secs Computing kpt #: 57 total cpu time spent up to now is 124.9 secs Computing kpt #: 58 total cpu time spent up to now is 127.6 secs Computing kpt #: 59 total cpu time spent up to now is 129.7 secs Computing kpt #: 60 total cpu time spent up to now is 131.7 secs Computing kpt #: 61 total cpu time spent up to now is 133.7 secs Computing kpt #: 62 total cpu time spent up to now is 135.6 secs Computing kpt #: 63 total cpu time spent up to now is 137.9 secs Computing kpt #: 64 total cpu time spent up to now is 139.8 secs Computing kpt #: 65 total cpu time spent up to now is 141.7 secs Computing kpt #: 66 total cpu time spent up to now is 143.7 secs Computing kpt #: 67 total cpu time spent up to now is 145.4 secs Computing kpt #: 68 total cpu time spent up to now is 147.2 secs Computing kpt #: 69 total cpu time spent up to now is 148.9 secs Computing kpt #: 70 total cpu time spent up to now is 150.7 secs Computing kpt #: 71 total cpu time spent up to now is 152.4 secs Computing kpt #: 72 total cpu time spent up to now is 154.1 secs Computing kpt #: 73 total cpu time spent up to now is 155.8 secs Computing kpt #: 74 total cpu time spent up to now is 157.5 secs Computing kpt #: 75 total cpu time spent up to now is 159.2 secs Computing kpt #: 76 total cpu time spent up to now is 161.0 secs Computing kpt #: 77 total cpu time spent up to now is 162.7 secs Computing kpt #: 78 total cpu time spent up to now is 164.5 secs Computing kpt #: 79 total cpu time spent up to now is 166.5 secs Computing kpt #: 80 total cpu time spent up to now is 168.4 secs Computing kpt #: 81 total cpu time spent up to now is 170.5 secs Computing kpt #: 82 total cpu time spent up to now is 172.5 secs Computing kpt #: 83 total cpu time spent up to now is 174.5 secs Computing kpt #: 84 total cpu time spent up to now is 176.5 secs Computing kpt #: 85 total cpu time spent up to now is 178.8 secs Computing kpt #: 86 total cpu time spent up to now is 180.9 secs Computing kpt #: 87 total cpu time spent up to now is 183.1 secs Computing kpt #: 88 total cpu time spent up to now is 185.2 secs Computing kpt #: 89 total cpu time spent up to now is 187.4 secs Computing kpt #: 90 total cpu time spent up to now is 189.5 secs Computing kpt #: 91 total cpu time spent up to now is 191.6 secs Computing kpt #: 92 total cpu time spent up to now is 193.7 secs Computing kpt #: 93 total cpu time spent up to now is 195.8 secs Computing kpt #: 94 total cpu time spent up to now is 197.7 secs Computing kpt #: 95 total cpu time spent up to now is 200.2 secs Computing kpt #: 96 total cpu time spent up to now is 202.3 secs Computing kpt #: 97 total cpu time spent up to now is 204.3 secs Computing kpt #: 98 total cpu time spent up to now is 206.3 secs Computing kpt #: 99 total cpu time spent up to now is 208.3 secs Computing kpt #: 100 total cpu time spent up to now is 210.3 secs Computing kpt #: 101 total cpu time spent up to now is 212.3 secs Computing kpt #: 102 total cpu time spent up to now is 214.4 secs Computing kpt #: 103 total cpu time spent up to now is 216.5 secs Computing kpt #: 104 total cpu time spent up to now is 218.5 secs Computing kpt #: 105 total cpu time spent up to now is 220.7 secs Computing kpt #: 106 total cpu time spent up to now is 222.8 secs Computing kpt #: 107 total cpu time spent up to now is 225.0 secs Computing kpt #: 108 total cpu time spent up to now is 227.2 secs Computing kpt #: 109 total cpu time spent up to now is 229.4 secs Computing kpt #: 110 total cpu time spent up to now is 231.5 secs Computing kpt #: 111 total cpu time spent up to now is 233.5 secs Computing kpt #: 112 total cpu time spent up to now is 235.5 secs Computing kpt #: 113 total cpu time spent up to now is 237.6 secs Computing kpt #: 114 total cpu time spent up to now is 239.6 secs Computing kpt #: 115 total cpu time spent up to now is 241.6 secs Computing kpt #: 116 total cpu time spent up to now is 243.7 secs Computing kpt #: 117 total cpu time spent up to now is 245.4 secs Computing kpt #: 118 total cpu time spent up to now is 247.1 secs Computing kpt #: 119 total cpu time spent up to now is 249.0 secs Computing kpt #: 120 total cpu time spent up to now is 250.9 secs Computing kpt #: 121 total cpu time spent up to now is 252.8 secs Computing kpt #: 122 total cpu time spent up to now is 254.7 secs Computing kpt #: 123 total cpu time spent up to now is 256.7 secs Computing kpt #: 124 total cpu time spent up to now is 258.6 secs Computing kpt #: 125 total cpu time spent up to now is 260.6 secs Computing kpt #: 126 total cpu time spent up to now is 262.6 secs Computing kpt #: 127 total cpu time spent up to now is 264.5 secs Computing kpt #: 128 total cpu time spent up to now is 266.4 secs Computing kpt #: 129 total cpu time spent up to now is 268.2 secs Computing kpt #: 130 total cpu time spent up to now is 270.1 secs Computing kpt #: 131 total cpu time spent up to now is 271.8 secs Computing kpt #: 132 total cpu time spent up to now is 273.6 secs Computing kpt #: 133 total cpu time spent up to now is 275.2 secs Computing kpt #: 134 total cpu time spent up to now is 276.9 secs Computing kpt #: 135 total cpu time spent up to now is 278.5 secs Computing kpt #: 136 total cpu time spent up to now is 280.1 secs Computing kpt #: 137 total cpu time spent up to now is 281.7 secs Computing kpt #: 138 total cpu time spent up to now is 283.3 secs Computing kpt #: 139 total cpu time spent up to now is 284.9 secs Computing kpt #: 140 total cpu time spent up to now is 286.5 secs Computing kpt #: 141 total cpu time spent up to now is 288.1 secs Computing kpt #: 142 total cpu time spent up to now is 289.7 secs Computing kpt #: 143 total cpu time spent up to now is 291.3 secs Computing kpt #: 144 total cpu time spent up to now is 292.9 secs Computing kpt #: 145 total cpu time spent up to now is 294.5 secs Computing kpt #: 146 total cpu time spent up to now is 296.1 secs Computing kpt #: 147 total cpu time spent up to now is 297.7 secs Computing kpt #: 148 total cpu time spent up to now is 299.3 secs Computing kpt #: 149 total cpu time spent up to now is 300.9 secs Computing kpt #: 150 total cpu time spent up to now is 302.6 secs Computing kpt #: 151 total cpu time spent up to now is 304.4 secs Computing kpt #: 152 total cpu time spent up to now is 306.2 secs Computing kpt #: 153 total cpu time spent up to now is 308.0 secs Computing kpt #: 154 total cpu time spent up to now is 309.9 secs Computing kpt #: 155 total cpu time spent up to now is 311.7 secs Computing kpt #: 156 total cpu time spent up to now is 313.5 secs Computing kpt #: 157 total cpu time spent up to now is 315.3 secs Computing kpt #: 158 total cpu time spent up to now is 317.1 secs Computing kpt #: 159 total cpu time spent up to now is 319.1 secs Computing kpt #: 160 total cpu time spent up to now is 321.1 secs Computing kpt #: 161 total cpu time spent up to now is 323.2 secs Computing kpt #: 162 total cpu time spent up to now is 325.2 secs Computing kpt #: 163 total cpu time spent up to now is 327.3 secs Computing kpt #: 164 total cpu time spent up to now is 329.4 secs Computing kpt #: 165 total cpu time spent up to now is 331.4 secs Computing kpt #: 166 total cpu time spent up to now is 333.6 secs Computing kpt #: 167 total cpu time spent up to now is 336.5 secs Computing kpt #: 168 total cpu time spent up to now is 339.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.3 secs Computing kpt #: 170 total cpu time spent up to now is 345.6 secs Computing kpt #: 171 total cpu time spent up to now is 347.6 secs Computing kpt #: 172 total cpu time spent up to now is 349.1 secs Computing kpt #: 173 total cpu time spent up to now is 350.9 secs Computing kpt #: 174 total cpu time spent up to now is 352.5 secs Computing kpt #: 175 total cpu time spent up to now is 354.1 secs Computing kpt #: 176 total cpu time spent up to now is 355.8 secs Computing kpt #: 177 total cpu time spent up to now is 357.4 secs Computing kpt #: 178 total cpu time spent up to now is 359.0 secs Computing kpt #: 179 total cpu time spent up to now is 360.6 secs Computing kpt #: 180 total cpu time spent up to now is 362.2 secs Computing kpt #: 181 total cpu time spent up to now is 363.8 secs Computing kpt #: 182 total cpu time spent up to now is 365.7 secs Computing kpt #: 183 total cpu time spent up to now is 367.5 secs Computing kpt #: 184 total cpu time spent up to now is 369.4 secs Computing kpt #: 185 total cpu time spent up to now is 371.1 secs Computing kpt #: 186 total cpu time spent up to now is 372.9 secs Computing kpt #: 187 total cpu time spent up to now is 374.8 secs Computing kpt #: 188 total cpu time spent up to now is 376.5 secs Computing kpt #: 189 total cpu time spent up to now is 378.4 secs Computing kpt #: 190 total cpu time spent up to now is 380.3 secs Computing kpt #: 191 total cpu time spent up to now is 382.2 secs Computing kpt #: 192 total cpu time spent up to now is 383.9 secs Computing kpt #: 193 total cpu time spent up to now is 385.6 secs Computing kpt #: 194 total cpu time spent up to now is 387.4 secs Computing kpt #: 195 total cpu time spent up to now is 389.2 secs Computing kpt #: 196 total cpu time spent up to now is 390.7 secs Computing kpt #: 197 total cpu time spent up to now is 392.4 secs Computing kpt #: 198 total cpu time spent up to now is 394.2 secs Computing kpt #: 199 total cpu time spent up to now is 396.0 secs Computing kpt #: 200 total cpu time spent up to now is 397.7 secs Computing kpt #: 201 total cpu time spent up to now is 399.4 secs Computing kpt #: 202 total cpu time spent up to now is 401.0 secs Computing kpt #: 203 total cpu time spent up to now is 402.6 secs Computing kpt #: 204 total cpu time spent up to now is 404.2 secs Computing kpt #: 205 total cpu time spent up to now is 405.8 secs Computing kpt #: 206 total cpu time spent up to now is 407.4 secs Computing kpt #: 207 total cpu time spent up to now is 409.1 secs Computing kpt #: 208 total cpu time spent up to now is 410.7 secs Computing kpt #: 209 total cpu time spent up to now is 412.4 secs Computing kpt #: 210 total cpu time spent up to now is 414.2 secs Computing kpt #: 211 total cpu time spent up to now is 415.9 secs Computing kpt #: 212 total cpu time spent up to now is 418.3 secs Computing kpt #: 213 total cpu time spent up to now is 420.2 secs Computing kpt #: 214 total cpu time spent up to now is 422.2 secs Computing kpt #: 215 total cpu time spent up to now is 424.1 secs Computing kpt #: 216 total cpu time spent up to now is 426.1 secs Computing kpt #: 217 total cpu time spent up to now is 428.0 secs Computing kpt #: 218 total cpu time spent up to now is 430.0 secs Computing kpt #: 219 total cpu time spent up to now is 431.8 secs Computing kpt #: 220 total cpu time spent up to now is 433.5 secs Computing kpt #: 221 total cpu time spent up to now is 435.3 secs Computing kpt #: 222 total cpu time spent up to now is 437.1 secs Computing kpt #: 223 total cpu time spent up to now is 438.9 secs Computing kpt #: 224 total cpu time spent up to now is 440.8 secs Computing kpt #: 225 total cpu time spent up to now is 442.6 secs Computing kpt #: 226 total cpu time spent up to now is 444.5 secs Computing kpt #: 227 total cpu time spent up to now is 446.3 secs Computing kpt #: 228 total cpu time spent up to now is 448.1 secs Computing kpt #: 229 total cpu time spent up to now is 450.0 secs Computing kpt #: 230 total cpu time spent up to now is 451.8 secs Computing kpt #: 231 total cpu time spent up to now is 453.6 secs Computing kpt #: 232 total cpu time spent up to now is 455.4 secs Computing kpt #: 233 total cpu time spent up to now is 457.3 secs Computing kpt #: 234 total cpu time spent up to now is 459.1 secs Computing kpt #: 235 total cpu time spent up to now is 461.0 secs Computing kpt #: 236 total cpu time spent up to now is 462.8 secs Computing kpt #: 237 total cpu time spent up to now is 464.6 secs Computing kpt #: 238 total cpu time spent up to now is 466.5 secs Computing kpt #: 239 total cpu time spent up to now is 468.4 secs Computing kpt #: 240 total cpu time spent up to now is 470.4 secs Computing kpt #: 241 total cpu time spent up to now is 472.4 secs Computing kpt #: 242 total cpu time spent up to now is 474.4 secs Computing kpt #: 243 total cpu time spent up to now is 476.9 secs Computing kpt #: 244 total cpu time spent up to now is 479.0 secs Computing kpt #: 245 total cpu time spent up to now is 481.9 secs Computing kpt #: 246 total cpu time spent up to now is 484.1 secs Computing kpt #: 247 total cpu time spent up to now is 486.3 secs Computing kpt #: 248 total cpu time spent up to now is 489.3 secs Computing kpt #: 249 total cpu time spent up to now is 491.3 secs Computing kpt #: 250 total cpu time spent up to now is 493.3 secs Computing kpt #: 251 total cpu time spent up to now is 495.3 secs Computing kpt #: 252 total cpu time spent up to now is 497.3 secs Computing kpt #: 253 total cpu time spent up to now is 499.6 secs Computing kpt #: 254 total cpu time spent up to now is 501.3 secs Computing kpt #: 255 total cpu time spent up to now is 503.0 secs Computing kpt #: 256 total cpu time spent up to now is 504.7 secs Computing kpt #: 257 total cpu time spent up to now is 506.3 secs Computing kpt #: 258 total cpu time spent up to now is 507.9 secs Computing kpt #: 259 total cpu time spent up to now is 509.5 secs Computing kpt #: 260 total cpu time spent up to now is 511.0 secs Computing kpt #: 261 total cpu time spent up to now is 512.6 secs Computing kpt #: 262 total cpu time spent up to now is 514.1 secs ethr = 1.39E-08, avg # of iterations = 43.5 total cpu time spent up to now is 514.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6897 PWs) bands (ev): -21.7793 -21.7793 -14.9984 -14.9984 -14.8083 -14.8083 -13.2689 -13.2689 -13.2621 -13.2621 -13.2250 -13.2250 -13.2171 -13.2171 -12.8766 -12.8766 -12.8044 -12.8044 -8.3494 -8.3494 -6.3351 -6.3351 -6.3341 -6.3341 -3.7518 -3.7518 -3.2967 -3.2967 -1.7530 -1.7530 -0.6165 -0.6165 -0.6134 -0.6134 -0.4975 -0.4975 -0.4603 -0.4603 -0.3139 -0.3139 0.4740 0.4740 0.8817 0.8817 0.8885 0.8885 1.9688 1.9688 1.9716 1.9716 1.9943 1.9943 2.0125 2.0125 2.2342 2.2342 2.3280 2.3280 2.3411 2.3411 3.3009 3.3009 3.3117 3.3117 3.4080 3.4080 3.4291 3.4291 3.5075 3.5075 3.5372 3.5372 8.4885 8.4885 9.8983 9.8983 10.6119 10.6119 10.7111 10.7111 11.4914 11.4914 11.8852 11.8852 11.9375 11.9375 k = 0.0143 0.0082-0.0000 ( 6903 PWs) bands (ev): -21.7792 -21.7792 -14.9981 -14.9981 -14.8079 -14.8079 -13.2695 -13.2695 -13.2626 -13.2626 -13.2253 -13.2253 -13.2174 -13.2174 -12.8765 -12.8765 -12.8041 -12.8041 -8.3493 -8.3493 -6.3350 -6.3350 -6.3342 -6.3342 -3.7504 -3.7504 -3.2954 -3.2954 -1.7529 -1.7529 -0.6161 -0.6161 -0.6129 -0.6129 -0.4976 -0.4976 -0.4605 -0.4605 -0.3142 -0.3142 0.4744 0.4744 0.8818 0.8818 0.8886 0.8886 1.9677 1.9677 1.9709 1.9709 1.9934 1.9934 2.0119 2.0119 2.2345 2.2345 2.3274 2.3274 2.3405 2.3405 3.3005 3.3005 3.3112 3.3112 3.4080 3.4080 3.4291 3.4291 3.5066 3.5066 3.5366 3.5366 8.4912 8.4912 9.8989 9.8989 10.6113 10.6113 10.7103 10.7103 11.4854 11.4854 11.8883 11.8883 11.9409 11.9409 k = 0.0286 0.0165-0.0000 ( 6903 PWs) bands (ev): -21.7792 -21.7792 -14.9970 -14.9970 -14.8068 -14.8068 -13.2716 -13.2716 -13.2638 -13.2638 -13.2264 -13.2264 -13.2182 -13.2182 -12.8762 -12.8762 -12.8030 -12.8030 -8.3492 -8.3492 -6.3347 -6.3347 -6.3344 -6.3344 -3.7462 -3.7462 -3.2914 -3.2914 -1.7526 -1.7526 -0.6155 -0.6155 -0.6106 -0.6106 -0.4981 -0.4981 -0.4607 -0.4607 -0.3154 -0.3154 0.4758 0.4758 0.8820 0.8820 0.8887 0.8887 1.9641 1.9641 1.9687 1.9687 1.9909 1.9909 2.0102 2.0102 2.2354 2.2354 2.3256 2.3256 2.3390 2.3390 3.2990 3.2990 3.3096 3.3096 3.4081 3.4081 3.4291 3.4291 3.5038 3.5038 3.5350 3.5350 8.4995 8.4995 9.9006 9.9006 10.6095 10.6095 10.7078 10.7078 11.4691 11.4691 11.8933 11.8933 11.9541 11.9541 k = 0.0429 0.0247-0.0000 ( 6907 PWs) bands (ev): -21.7791 -21.7791 -14.9952 -14.9952 -14.8050 -14.8050 -13.2760 -13.2760 -13.2649 -13.2649 -13.2286 -13.2286 -13.2191 -13.2191 -12.8757 -12.8757 -12.8013 -12.8013 -8.3491 -8.3491 -6.3348 -6.3348 -6.3340 -6.3340 -3.7392 -3.7392 -3.2849 -3.2849 -1.7520 -1.7520 -0.6153 -0.6153 -0.6062 -0.6062 -0.4995 -0.4995 -0.4605 -0.4605 -0.3173 -0.3173 0.4781 0.4781 0.8823 0.8823 0.8889 0.8889 1.9578 1.9578 1.9648 1.9648 1.9873 1.9873 2.0076 2.0076 2.2368 2.2368 2.3218 2.3218 2.3373 2.3373 3.2964 3.2964 3.3071 3.3071 3.4081 3.4081 3.4292 3.4292 3.4991 3.4991 3.5325 3.5325 8.5132 8.5132 9.9036 9.9036 10.6064 10.6064 10.7039 10.7039 11.4453 11.4453 11.8943 11.8943 11.9800 11.9800 k = 0.0571 0.0330-0.0000 ( 6903 PWs) bands (ev): -21.7790 -21.7790 -14.9928 -14.9928 -14.8025 -14.8025 -13.2826 -13.2826 -13.2657 -13.2657 -13.2322 -13.2322 -13.2198 -13.2198 -12.8750 -12.8750 -12.7991 -12.7991 -8.3488 -8.3488 -6.3353 -6.3353 -6.3331 -6.3331 -3.7294 -3.7294 -3.2758 -3.2758 -1.7513 -1.7513 -0.6153 -0.6153 -0.5998 -0.5998 -0.5026 -0.5026 -0.4590 -0.4590 -0.3200 -0.3200 0.4813 0.4813 0.8826 0.8826 0.8892 0.8892 1.9482 1.9482 1.9587 1.9587 1.9830 1.9830 2.0044 2.0044 2.2385 2.2385 2.3161 2.3161 2.3360 2.3360 3.2927 3.2927 3.3039 3.3039 3.4077 3.4077 3.4294 3.4294 3.4928 3.4928 3.5291 3.5291 8.5323 8.5323 9.9077 9.9077 10.6019 10.6019 10.6985 10.6985 11.4176 11.4176 11.8906 11.8906 12.0158 12.0158 k = 0.0714 0.0412-0.0000 ( 6895 PWs) bands (ev): -21.7789 -21.7789 -14.9896 -14.9896 -14.7993 -14.7993 -13.2913 -13.2913 -13.2665 -13.2665 -13.2372 -13.2372 -13.2203 -13.2203 -12.8741 -12.8741 -12.7963 -12.7963 -8.3486 -8.3486 -6.3359 -6.3359 -6.3320 -6.3320 -3.7169 -3.7169 -3.2641 -3.2641 -1.7504 -1.7504 -0.6155 -0.6155 -0.5915 -0.5915 -0.5079 -0.5079 -0.4558 -0.4558 -0.3234 -0.3234 0.4855 0.4855 0.8830 0.8830 0.8896 0.8896 1.9354 1.9354 1.9499 1.9499 1.9782 1.9782 2.0011 2.0011 2.2404 2.2404 2.3086 2.3086 2.3349 2.3349 3.2876 3.2876 3.3002 3.3002 3.4068 3.4068 3.4296 3.4296 3.4847 3.4847 3.5250 3.5250 8.5565 8.5565 9.9131 9.9131 10.5959 10.5959 10.6919 10.6919 11.3886 11.3886 11.8838 11.8838 12.0573 12.0573 k = 0.0857 0.0495-0.0000 ( 6901 PWs) bands (ev): -21.7787 -21.7787 -14.9857 -14.9857 -14.7954 -14.7954 -13.3017 -13.3017 -13.2673 -13.2673 -13.2435 -13.2435 -13.2207 -13.2207 -12.8730 -12.8730 -12.7931 -12.7931 -8.3482 -8.3482 -6.3367 -6.3367 -6.3307 -6.3307 -3.7017 -3.7017 -3.2498 -3.2498 -1.7494 -1.7494 -0.6158 -0.6158 -0.5815 -0.5815 -0.5154 -0.5154 -0.4506 -0.4506 -0.3276 -0.3276 0.4905 0.4905 0.8833 0.8833 0.8902 0.8902 1.9198 1.9198 1.9377 1.9377 1.9730 1.9730 1.9979 1.9979 2.2423 2.2423 2.3002 2.3002 2.3341 2.3341 3.2810 3.2810 3.2961 3.2961 3.4051 3.4051 3.4299 3.4299 3.4752 3.4752 3.5207 3.5207 8.5856 8.5856 9.9198 9.9198 10.5884 10.5884 10.6840 10.6840 11.3602 11.3602 11.8748 11.8748 12.1016 12.1016 k = 0.1000 0.0577-0.0000 ( 6905 PWs) bands (ev): -21.7785 -21.7785 -14.9812 -14.9812 -14.7909 -14.7909 -13.3138 -13.3138 -13.2682 -13.2682 -13.2510 -13.2510 -13.2210 -13.2210 -12.8718 -12.8718 -12.7896 -12.7896 -8.3478 -8.3478 -6.3376 -6.3376 -6.3291 -6.3291 -3.6840 -3.6840 -3.2332 -3.2332 -1.7483 -1.7483 -0.6163 -0.6163 -0.5701 -0.5701 -0.5247 -0.5247 -0.4436 -0.4436 -0.3325 -0.3325 0.4965 0.4965 0.8836 0.8836 0.8908 0.8908 1.9015 1.9015 1.9217 1.9217 1.9674 1.9674 1.9948 1.9948 2.2440 2.2440 2.2914 2.2914 2.3333 2.3333 3.2730 3.2730 3.2917 3.2917 3.4024 3.4024 3.4298 3.4298 3.4645 3.4645 3.5163 3.5163 8.6194 8.6194 9.9279 9.9279 10.5792 10.5792 10.6749 10.6749 11.3337 11.3337 11.8643 11.8643 12.1468 12.1468 k = 0.1143 0.0660-0.0000 ( 6919 PWs) bands (ev): -21.7783 -21.7783 -14.9760 -14.9760 -14.7857 -14.7857 -13.3272 -13.3272 -13.2696 -13.2696 -13.2593 -13.2593 -13.2213 -13.2213 -12.8704 -12.8704 -12.7859 -12.7859 -8.3473 -8.3473 -6.3386 -6.3386 -6.3273 -6.3273 -3.6637 -3.6637 -3.2141 -3.2141 -1.7471 -1.7471 -0.6171 -0.6171 -0.5581 -0.5581 -0.5347 -0.5347 -0.4350 -0.4350 -0.3382 -0.3382 0.5035 0.5035 0.8837 0.8837 0.8916 0.8916 1.8808 1.8808 1.9018 1.9018 1.9614 1.9614 1.9919 1.9919 2.2452 2.2452 2.2830 2.2830 2.3325 2.3325 3.2636 3.2636 3.2869 3.2869 3.3987 3.3987 3.4290 3.4290 3.4530 3.4530 3.5124 3.5124 8.6575 8.6575 9.9375 9.9375 10.5685 10.5685 10.6646 10.6646 11.3101 11.3101 11.8524 11.8524 12.1913 12.1913 k = 0.1286 0.0742-0.0000 ( 6923 PWs) bands (ev): -21.7781 -21.7781 -14.9701 -14.9701 -14.7799 -14.7799 -13.3419 -13.3419 -13.2730 -13.2730 -13.2666 -13.2666 -13.2216 -13.2216 -12.8688 -12.8688 -12.7821 -12.7821 -8.3468 -8.3468 -6.3397 -6.3397 -6.3254 -6.3254 -3.6409 -3.6409 -3.1928 -3.1928 -1.7458 -1.7458 -0.6182 -0.6182 -0.5553 -0.5553 -0.5354 -0.5354 -0.4249 -0.4249 -0.3446 -0.3446 0.5114 0.5114 0.8836 0.8836 0.8924 0.8924 1.8577 1.8577 1.8783 1.8783 1.9549 1.9549 1.9891 1.9891 2.2454 2.2454 2.2758 2.2758 2.3316 2.3316 3.2529 3.2529 3.2817 3.2817 3.3935 3.3935 3.4267 3.4267 3.4417 3.4417 3.5091 3.5091 8.6996 8.6996 9.9487 9.9487 10.5562 10.5562 10.6533 10.6533 11.2901 11.2901 11.8395 11.8395 12.2340 12.2340 k = 0.1429 0.0825-0.0000 ( 6919 PWs) bands (ev): -21.7778 -21.7778 -14.9637 -14.9637 -14.7736 -14.7736 -13.3577 -13.3577 -13.2820 -13.2820 -13.2694 -13.2694 -13.2218 -13.2218 -12.8670 -12.8670 -12.7783 -12.7783 -8.3463 -8.3463 -6.3409 -6.3409 -6.3232 -6.3232 -3.6158 -3.6158 -3.1692 -3.1692 -1.7446 -1.7446 -0.6200 -0.6200 -0.5670 -0.5670 -0.5212 -0.5212 -0.4136 -0.4136 -0.3517 -0.3517 0.5202 0.5202 0.8832 0.8832 0.8933 0.8933 1.8320 1.8320 1.8520 1.8520 1.9478 1.9478 1.9861 1.9861 2.2441 2.2441 2.2705 2.2705 2.3306 2.3306 3.2407 3.2407 3.2762 3.2762 3.3862 3.3862 3.4214 3.4214 3.4331 3.4331 3.5069 3.5069 8.7452 8.7452 9.9616 9.9616 10.5427 10.5427 10.6408 10.6408 11.2740 11.2740 11.8258 11.8258 12.2737 12.2737 k = 0.1571 0.0907-0.0000 ( 6929 PWs) bands (ev): -21.7776 -21.7776 -14.9566 -14.9566 -14.7667 -14.7667 -13.3744 -13.3744 -13.2935 -13.2935 -13.2708 -13.2708 -13.2221 -13.2221 -12.8650 -12.8650 -12.7745 -12.7745 -8.3457 -8.3457 -6.3422 -6.3422 -6.3209 -6.3209 -3.5884 -3.5884 -3.1434 -3.1434 -1.7436 -1.7436 -0.6227 -0.6227 -0.5814 -0.5814 -0.5035 -0.5035 -0.4013 -0.4013 -0.3592 -0.3592 0.5299 0.5299 0.8825 0.8825 0.8941 0.8941 1.8030 1.8030 1.8240 1.8240 1.9401 1.9401 1.9831 1.9831 2.2410 2.2410 2.2676 2.2676 2.3295 2.3295 3.2272 3.2272 3.2703 3.2703 3.3760 3.3760 3.4130 3.4130 3.4279 3.4279 3.5058 3.5058 8.7939 8.7939 9.9764 9.9764 10.5280 10.5280 10.6274 10.6274 11.2620 11.2620 11.8114 11.8114 12.3097 12.3097 k = 0.1714 0.0990-0.0000 ( 6933 PWs) bands (ev): -21.7773 -21.7773 -14.9489 -14.9489 -14.7593 -14.7593 -13.3918 -13.3918 -13.3061 -13.3061 -13.2720 -13.2720 -13.2223 -13.2223 -12.8630 -12.8630 -12.7708 -12.7708 -8.3451 -8.3451 -6.3436 -6.3436 -6.3184 -6.3184 -3.5590 -3.5590 -3.1157 -3.1157 -1.7426 -1.7426 -0.6274 -0.6274 -0.5959 -0.5959 -0.4841 -0.4841 -0.3885 -0.3885 -0.3666 -0.3666 0.5405 0.5405 0.8815 0.8815 0.8950 0.8950 1.7699 1.7699 1.7958 1.7958 1.9318 1.9318 1.9798 1.9798 2.2367 2.2367 2.2664 2.2664 2.3283 2.3283 3.2124 3.2124 3.2641 3.2641 3.3624 3.3624 3.4049 3.4049 3.4239 3.4239 3.5058 3.5058 8.8451 8.8451 9.9934 9.9934 10.5124 10.5124 10.6132 10.6132 11.2541 11.2541 11.7966 11.7966 12.3411 12.3411 k = 0.1857 0.1072-0.0000 ( 6949 PWs) bands (ev): -21.7770 -21.7770 -14.9407 -14.9407 -14.7515 -14.7515 -13.4098 -13.4098 -13.3196 -13.3196 -13.2732 -13.2732 -13.2226 -13.2226 -12.8607 -12.8607 -12.7672 -12.7672 -8.3444 -8.3444 -6.3450 -6.3450 -6.3159 -6.3159 -3.5275 -3.5275 -3.0861 -3.0861 -1.7419 -1.7419 -0.6362 -0.6362 -0.6079 -0.6079 -0.4633 -0.4633 -0.3822 -0.3822 -0.3671 -0.3671 0.5519 0.5519 0.8800 0.8800 0.8958 0.8958 1.7330 1.7330 1.7678 1.7678 1.9227 1.9227 1.9764 1.9764 2.2319 2.2319 2.2662 2.2662 2.3270 2.3270 3.1964 3.1964 3.2575 3.2575 3.3461 3.3461 3.3979 3.3979 3.4199 3.4199 3.5067 3.5067 8.8983 8.8983 10.0127 10.0127 10.4960 10.4960 10.5986 10.5986 11.2502 11.2502 11.7816 11.7816 12.3676 12.3676 k = 0.2000 0.1155-0.0000 ( 6943 PWs) bands (ev): -21.7767 -21.7767 -14.9319 -14.9319 -14.7434 -14.7434 -13.4282 -13.4282 -13.3340 -13.3340 -13.2744 -13.2744 -13.2228 -13.2228 -12.8583 -12.8583 -12.7639 -12.7639 -8.3437 -8.3437 -6.3464 -6.3464 -6.3132 -6.3132 -3.4942 -3.4942 -3.0548 -3.0548 -1.7415 -1.7415 -0.6506 -0.6506 -0.6159 -0.6159 -0.4414 -0.4414 -0.3891 -0.3891 -0.3538 -0.3538 0.5642 0.5642 0.8780 0.8780 0.8966 0.8966 1.6931 1.6931 1.7399 1.7399 1.9128 1.9128 1.9727 1.9727 2.2273 2.2273 2.2662 2.2662 2.3256 2.3256 3.1792 3.1792 3.2506 3.2506 3.3278 3.3278 3.3918 3.3918 3.4160 3.4160 3.5083 3.5083 8.9527 8.9527 10.0348 10.0348 10.4790 10.4790 10.5838 10.5838 11.2498 11.2498 11.7664 11.7664 12.3888 12.3888 k = 0.2143 0.1237-0.0000 ( 6947 PWs) bands (ev): -21.7763 -21.7763 -14.9227 -14.9227 -14.7349 -14.7349 -13.4470 -13.4470 -13.3490 -13.3490 -13.2756 -13.2756 -13.2231 -13.2231 -12.8559 -12.8559 -12.7608 -12.7608 -8.3430 -8.3430 -6.3479 -6.3479 -6.3104 -6.3104 -3.4591 -3.4591 -3.0219 -3.0219 -1.7416 -1.7416 -0.6688 -0.6688 -0.6213 -0.6213 -0.4186 -0.4186 -0.3986 -0.3986 -0.3373 -0.3373 0.5773 0.5773 0.8754 0.8754 0.8973 0.8973 1.6509 1.6509 1.7122 1.7122 1.9021 1.9021 1.9689 1.9689 2.2230 2.2230 2.2662 2.2662 2.3241 2.3241 3.1611 3.1611 3.2435 3.2435 3.3083 3.3083 3.3863 3.3863 3.4122 3.4122 3.5104 3.5104 9.0077 9.0077 10.0600 10.0600 10.4616 10.4616 10.5693 10.5693 11.2527 11.2527 11.7513 11.7513 12.4044 12.4044 k = 0.2286 0.1320-0.0000 ( 6951 PWs) bands (ev): -21.7760 -21.7760 -14.9130 -14.9130 -14.7261 -14.7261 -13.4658 -13.4658 -13.3646 -13.3646 -13.2768 -13.2768 -13.2233 -13.2233 -12.8532 -12.8532 -12.7580 -12.7580 -8.3424 -8.3424 -6.3494 -6.3494 -6.3076 -6.3076 -3.4226 -3.4226 -2.9876 -2.9876 -1.7420 -1.7420 -0.6892 -0.6892 -0.6259 -0.6259 -0.4098 -0.4098 -0.3940 -0.3940 -0.3196 -0.3196 0.5911 0.5911 0.8721 0.8721 0.8979 0.8979 1.6071 1.6071 1.6847 1.6847 1.8906 1.8906 1.9648 1.9648 2.2191 2.2191 2.2658 2.2658 2.3227 2.3227 3.1422 3.1422 3.2362 3.2362 3.2880 3.2880 3.3812 3.3812 3.4086 3.4086 3.5128 3.5128 9.0624 9.0624 10.0885 10.0885 10.4441 10.4441 10.5555 10.5555 11.2584 11.2584 11.7363 11.7363 12.4146 12.4146 k = 0.2429 0.1402-0.0000 ( 6949 PWs) bands (ev): -21.7757 -21.7757 -14.9029 -14.9029 -14.7172 -14.7172 -13.4847 -13.4847 -13.3808 -13.3808 -13.2781 -13.2781 -13.2236 -13.2236 -12.8505 -12.8505 -12.7555 -12.7555 -8.3417 -8.3417 -6.3508 -6.3508 -6.3047 -6.3047 -3.3846 -3.3846 -2.9521 -2.9521 -1.7431 -1.7431 -0.7108 -0.7108 -0.6303 -0.6303 -0.4206 -0.4206 -0.3698 -0.3698 -0.3009 -0.3009 0.6056 0.6056 0.8679 0.8679 0.8985 0.8985 1.5623 1.5623 1.6576 1.6576 1.8783 1.8783 1.9605 1.9605 2.2156 2.2156 2.2650 2.2650 2.3212 2.3212 3.1228 3.1228 3.2286 3.2286 3.2673 3.2673 3.3763 3.3763 3.4055 3.4055 3.5153 3.5153 9.1161 9.1161 10.1207 10.1207 10.4266 10.4266 10.5428 10.5428 11.2665 11.2665 11.7216 11.7216 12.4196 12.4196 k = 0.2571 0.1485-0.0000 ( 6961 PWs) bands (ev): -21.7753 -21.7753 -14.8925 -14.8925 -14.7082 -14.7082 -13.5034 -13.5034 -13.3974 -13.3974 -13.2793 -13.2793 -13.2239 -13.2239 -12.8477 -12.8477 -12.7533 -12.7533 -8.3410 -8.3410 -6.3523 -6.3523 -6.3018 -6.3018 -3.3455 -3.3455 -2.9156 -2.9156 -1.7447 -1.7447 -0.7332 -0.7332 -0.6348 -0.6348 -0.4320 -0.4320 -0.3448 -0.3448 -0.2815 -0.2815 0.6206 0.6206 0.8629 0.8629 0.8991 0.8991 1.5171 1.5171 1.6309 1.6309 1.8652 1.8652 1.9560 1.9560 2.2125 2.2125 2.2637 2.2637 2.3199 2.3199 3.1030 3.1030 3.2209 3.2209 3.2464 3.2464 3.3718 3.3718 3.4026 3.4026 3.5180 3.5180 9.1679 9.1679 10.1567 10.1567 10.4096 10.4096 10.5317 10.5317 11.2767 11.2767 11.7074 11.7074 12.4199 12.4199 k = 0.2714 0.1567-0.0000 ( 6965 PWs) bands (ev): -21.7750 -21.7750 -14.8818 -14.8818 -14.6992 -14.6992 -13.5218 -13.5218 -13.4143 -13.4143 -13.2805 -13.2805 -13.2241 -13.2241 -12.8449 -12.8449 -12.7514 -12.7514 -8.3403 -8.3403 -6.3538 -6.3538 -6.2989 -6.2989 -3.3054 -3.3054 -2.8785 -2.8785 -1.7471 -1.7471 -0.7562 -0.7562 -0.6394 -0.6394 -0.4438 -0.4438 -0.3195 -0.3195 -0.2614 -0.2614 0.6362 0.6362 0.8569 0.8569 0.8997 0.8997 1.4721 1.4721 1.6049 1.6049 1.8514 1.8514 1.9513 1.9513 2.2097 2.2097 2.2616 2.2616 2.3188 2.3188 3.0833 3.0833 3.2128 3.2128 3.2260 3.2260 3.3675 3.3675 3.4002 3.4002 3.5206 3.5206 9.2170 9.2170 10.1959 10.1959 10.3935 10.3935 10.5230 10.5230 11.2884 11.2884 11.6937 11.6937 12.4160 12.4160 k = 0.2857 0.1650-0.0000 ( 6963 PWs) bands (ev): -21.7747 -21.7747 -14.8708 -14.8708 -14.6902 -14.6902 -13.5397 -13.5397 -13.4315 -13.4315 -13.2817 -13.2817 -13.2244 -13.2244 -12.8420 -12.8420 -12.7498 -12.7498 -8.3396 -8.3396 -6.3552 -6.3552 -6.2960 -6.2960 -3.2646 -3.2646 -2.8409 -2.8409 -1.7502 -1.7502 -0.7797 -0.7797 -0.6441 -0.6441 -0.4558 -0.4558 -0.2941 -0.2941 -0.2407 -0.2407 0.6521 0.6521 0.8499 0.8499 0.9002 0.9002 1.4277 1.4277 1.5799 1.5799 1.8368 1.8368 1.9465 1.9465 2.2073 2.2073 2.2590 2.2590 2.3180 2.3180 3.0637 3.0637 3.2018 3.2018 3.2089 3.2089 3.3634 3.3634 3.3982 3.3982 3.5232 3.5232 9.2629 9.2629 10.2371 10.2371 10.3791 10.3791 10.5179 10.5179 11.3014 11.3014 11.6806 11.6806 12.4085 12.4085 k = 0.3000 0.1732-0.0000 ( 6955 PWs) bands (ev): -21.7743 -21.7743 -14.8597 -14.8597 -14.6813 -14.6813 -13.5570 -13.5570 -13.4487 -13.4487 -13.2829 -13.2829 -13.2247 -13.2247 -12.8390 -12.8390 -12.7485 -12.7485 -8.3389 -8.3389 -6.3566 -6.3566 -6.2932 -6.2932 -3.2232 -3.2232 -2.8032 -2.8032 -1.7541 -1.7541 -0.8035 -0.8035 -0.6487 -0.6487 -0.4681 -0.4681 -0.2689 -0.2689 -0.2197 -0.2197 0.6682 0.6682 0.8420 0.8420 0.9008 0.9008 1.3843 1.3843 1.5559 1.5559 1.8216 1.8216 1.9415 1.9415 2.2051 2.2051 2.2556 2.2556 2.3173 2.3173 3.0446 3.0446 3.1835 3.1835 3.1996 3.1996 3.3595 3.3595 3.3966 3.3966 3.5257 3.5257 9.3049 9.3049 10.2758 10.2758 10.3691 10.3691 10.5185 10.5185 11.3152 11.3152 11.6682 11.6682 12.3981 12.3981 k = 0.3143 0.1815-0.0000 ( 6951 PWs) bands (ev): -21.7740 -21.7740 -14.8486 -14.8486 -14.6728 -14.6728 -13.5735 -13.5735 -13.4660 -13.4660 -13.2840 -13.2840 -13.2249 -13.2249 -12.8360 -12.8360 -12.7475 -12.7475 -8.3383 -8.3383 -6.3579 -6.3579 -6.2905 -6.2905 -3.1817 -3.1817 -2.7657 -2.7657 -1.7588 -1.7588 -0.8274 -0.8274 -0.6532 -0.6532 -0.4806 -0.4806 -0.2440 -0.2440 -0.1985 -0.1985 0.6843 0.6843 0.8334 0.8334 0.9014 0.9014 1.3423 1.3423 1.5331 1.5331 1.8058 1.8058 1.9363 1.9363 2.2031 2.2031 2.2516 2.2516 2.3169 2.3169 3.0262 3.0262 3.1644 3.1644 3.1921 3.1921 3.3558 3.3558 3.3954 3.3954 3.5280 3.5280 9.3427 9.3427 10.3012 10.3012 10.3702 10.3702 10.5294 10.5294 11.3296 11.3296 11.6567 11.6567 12.3853 12.3853 k = 0.3286 0.1897-0.0000 ( 6947 PWs) bands (ev): -21.7737 -21.7737 -14.8374 -14.8374 -14.6645 -14.6645 -13.5892 -13.5892 -13.4831 -13.4831 -13.2851 -13.2851 -13.2251 -13.2251 -12.8331 -12.8331 -12.7468 -12.7468 -8.3377 -8.3377 -6.3592 -6.3592 -6.2879 -6.2879 -3.1401 -3.1401 -2.7288 -2.7288 -1.7642 -1.7642 -0.8513 -0.8513 -0.6575 -0.6575 -0.4932 -0.4932 -0.2197 -0.2197 -0.1772 -0.1772 0.6998 0.6998 0.8245 0.8245 0.9021 0.9021 1.3021 1.3021 1.5116 1.5116 1.7897 1.7897 1.9311 1.9311 2.2014 2.2014 2.2472 2.2472 2.3167 2.3167 3.0087 3.0087 3.1460 3.1460 3.1849 3.1849 3.3523 3.3523 3.3946 3.3946 3.5301 3.5301 9.3762 9.3762 10.3047 10.3047 10.3843 10.3843 10.5570 10.5570 11.3441 11.3441 11.6459 11.6459 12.3709 12.3709 k = 0.3429 0.1979-0.0000 ( 6931 PWs) bands (ev): -21.7734 -21.7734 -14.8263 -14.8263 -14.6567 -14.6567 -13.6037 -13.6037 -13.5000 -13.5000 -13.2861 -13.2861 -13.2254 -13.2254 -12.8301 -12.8301 -12.7464 -12.7464 -8.3371 -8.3371 -6.3604 -6.3604 -6.2854 -6.2854 -3.0990 -3.0990 -2.6928 -2.6928 -1.7704 -1.7704 -0.8749 -0.8749 -0.6613 -0.6613 -0.5058 -0.5058 -0.1961 -0.1961 -0.1563 -0.1563 0.7141 0.7141 0.8161 0.8161 0.9029 0.9029 1.2639 1.2639 1.4916 1.4916 1.7733 1.7733 1.9258 1.9258 2.1998 2.1998 2.2423 2.2423 2.3167 2.3167 2.9922 2.9922 3.1285 3.1285 3.1782 3.1782 3.3491 3.3491 3.3940 3.3940 3.5321 3.5321 9.4055 9.4055 10.2974 10.2974 10.3970 10.3970 10.6044 10.6044 11.3585 11.3585 11.6361 11.6361 12.3554 12.3554 k = 0.3571 0.2062-0.0000 ( 6943 PWs) bands (ev): -21.7732 -21.7732 -14.8155 -14.8155 -14.6494 -14.6494 -13.6171 -13.6171 -13.5164 -13.5164 -13.2871 -13.2871 -13.2256 -13.2256 -12.8273 -12.8273 -12.7462 -12.7462 -8.3366 -8.3366 -6.3615 -6.3615 -6.2830 -6.2830 -3.0586 -3.0586 -2.6583 -2.6583 -1.7770 -1.7770 -0.8981 -0.8981 -0.6646 -0.6646 -0.5184 -0.5184 -0.1735 -0.1735 -0.1359 -0.1359 0.7256 0.7256 0.8098 0.8098 0.9037 0.9037 1.2279 1.2279 1.4731 1.4731 1.7570 1.7570 1.9206 1.9206 2.1983 2.1983 2.2372 2.2372 2.3169 2.3169 2.9769 2.9769 3.1120 3.1120 3.1718 3.1718 3.3460 3.3460 3.3938 3.3938 3.5338 3.5338 9.4307 9.4307 10.2874 10.2874 10.4032 10.4032 10.6681 10.6681 11.3725 11.3725 11.6272 11.6272 12.3394 12.3394 k = 0.3714 0.2144-0.0000 ( 6937 PWs) bands (ev): -21.7729 -21.7729 -14.8050 -14.8050 -14.6427 -14.6427 -13.6293 -13.6293 -13.5323 -13.5323 -13.2880 -13.2880 -13.2258 -13.2258 -12.8245 -12.8245 -12.7461 -12.7461 -8.3361 -8.3361 -6.3625 -6.3625 -6.2808 -6.2808 -3.0193 -3.0193 -2.6257 -2.6257 -1.7841 -1.7841 -0.9207 -0.9207 -0.6671 -0.6671 -0.5309 -0.5309 -0.1520 -0.1520 -0.1163 -0.1163 0.7317 0.7317 0.8085 0.8085 0.9047 0.9047 1.1941 1.1941 1.4563 1.4563 1.7408 1.7408 1.9154 1.9154 2.1970 2.1970 2.2320 2.2320 2.3171 2.3171 2.9629 2.9629 3.0969 3.0969 3.1659 3.1659 3.3432 3.3432 3.3937 3.3937 3.5354 3.5354 9.4522 9.4522 10.2772 10.2772 10.4050 10.4050 10.7427 10.7427 11.3859 11.3859 11.6191 11.6191 12.3234 12.3234 k = 0.3857 0.2227-0.0000 ( 6933 PWs) bands (ev): -21.7727 -21.7727 -14.7950 -14.7950 -14.6366 -14.6366 -13.6400 -13.6400 -13.5475 -13.5475 -13.2888 -13.2888 -13.2259 -13.2259 -12.8218 -12.8218 -12.7463 -12.7463 -8.3356 -8.3356 -6.3634 -6.3634 -6.2788 -6.2788 -2.9817 -2.9817 -2.5954 -2.5954 -1.7914 -1.7914 -0.9423 -0.9423 -0.6688 -0.6688 -0.5433 -0.5433 -0.1317 -0.1317 -0.0980 -0.0980 0.7310 0.7310 0.8138 0.8138 0.9059 0.9059 1.1625 1.1625 1.4413 1.4413 1.7251 1.7251 1.9105 1.9105 2.1959 2.1959 2.2269 2.2269 2.3174 2.3174 2.9504 2.9504 3.0830 3.0830 3.1604 3.1604 3.3406 3.3406 3.3938 3.3938 3.5368 3.5368 9.4702 9.4702 10.2676 10.2676 10.4048 10.4048 10.8245 10.8245 11.3983 11.3983 11.6120 11.6120 12.3078 12.3078 k = 0.4000 0.2309-0.0000 ( 6935 PWs) bands (ev): -21.7725 -21.7725 -14.7857 -14.7857 -14.6313 -14.6313 -13.6492 -13.6492 -13.5618 -13.5618 -13.2896 -13.2896 -13.2261 -13.2261 -12.8193 -12.8193 -12.7466 -12.7466 -8.3352 -8.3352 -6.3643 -6.3643 -6.2769 -6.2769 -2.9461 -2.9461 -2.5679 -2.5679 -1.7987 -1.7987 -0.9626 -0.9626 -0.6696 -0.6696 -0.5554 -0.5554 -0.1130 -0.1130 -0.0811 -0.0811 0.7247 0.7247 0.8249 0.8249 0.9073 0.9073 1.1329 1.1329 1.4279 1.4279 1.7102 1.7102 1.9057 1.9057 2.1948 2.1948 2.2221 2.2221 2.3177 2.3177 2.9392 2.9392 3.0706 3.0706 3.1555 3.1555 3.3383 3.3383 3.3940 3.3940 3.5379 3.5379 9.4852 9.4852 10.2588 10.2588 10.4036 10.4036 10.9108 10.9108 11.4096 11.4096 11.6056 11.6056 12.2930 12.2930 k = 0.4143 0.2392-0.0000 ( 6933 PWs) bands (ev): -21.7723 -21.7723 -14.7771 -14.7771 -14.6267 -14.6267 -13.6569 -13.6569 -13.5750 -13.5750 -13.2902 -13.2902 -13.2262 -13.2262 -12.8170 -12.8170 -12.7470 -12.7470 -8.3349 -8.3349 -6.3650 -6.3650 -6.2753 -6.2753 -2.9133 -2.9133 -2.5436 -2.5436 -1.8055 -1.8055 -0.9814 -0.9814 -0.6695 -0.6695 -0.5671 -0.5671 -0.0960 -0.0960 -0.0661 -0.0661 0.7156 0.7156 0.8391 0.8391 0.9091 0.9091 1.1052 1.1052 1.4163 1.4163 1.6964 1.6964 1.9014 1.9014 2.1938 2.1938 2.2176 2.2176 2.3181 2.3181 2.9295 2.9295 3.0598 3.0598 3.1512 3.1512 3.3363 3.3363 3.3943 3.3943 3.5390 3.5390 9.4974 9.4974 10.2511 10.2511 10.4022 10.4022 10.9999 10.9999 11.4196 11.4196 11.5999 11.5999 12.2794 12.2794 k = 0.4286 0.2474-0.0000 ( 6929 PWs) bands (ev): -21.7721 -21.7721 -14.7694 -14.7694 -14.6229 -14.6229 -13.6632 -13.6632 -13.5870 -13.5870 -13.2908 -13.2908 -13.2264 -13.2264 -12.8150 -12.8150 -12.7474 -12.7474 -8.3346 -8.3346 -6.3656 -6.3656 -6.2739 -6.2739 -2.8837 -2.8837 -2.5229 -2.5229 -1.8118 -1.8118 -0.9982 -0.9982 -0.6685 -0.6685 -0.5781 -0.5781 -0.0808 -0.0808 -0.0532 -0.0532 0.7059 0.7059 0.8545 0.8545 0.9116 0.9116 1.0793 1.0793 1.4066 1.4066 1.6840 1.6840 1.8975 1.8975 2.1929 2.1929 2.2137 2.2137 2.3184 2.3184 2.9213 2.9213 3.0505 3.0505 3.1474 3.1474 3.3345 3.3345 3.3947 3.3947 3.5398 3.5398 9.5072 9.5072 10.2445 10.2445 10.4007 10.4007 11.0896 11.0896 11.4282 11.4282 11.5945 11.5945 12.2671 12.2671 k = 0.4429 0.2557-0.0000 ( 6925 PWs) bands (ev): -21.7720 -21.7720 -14.7629 -14.7629 -14.6198 -14.6198 -13.6679 -13.6679 -13.5973 -13.5973 -13.2913 -13.2913 -13.2265 -13.2265 -12.8132 -12.8132 -12.7478 -12.7478 -8.3343 -8.3343 -6.3662 -6.3662 -6.2728 -6.2728 -2.8582 -2.8582 -2.5059 -2.5059 -1.8173 -1.8173 -1.0127 -1.0127 -0.6666 -0.6666 -0.5884 -0.5884 -0.0678 -0.0678 -0.0425 -0.0425 0.6967 0.6967 0.8695 0.8695 0.9154 0.9154 1.0549 1.0549 1.3986 1.3986 1.6733 1.6733 1.8941 1.8941 2.1921 2.1921 2.2104 2.2104 2.3187 2.3187 2.9147 2.9147 3.0428 3.0428 3.1443 3.1443 3.3331 3.3331 3.3950 3.3950 3.5404 3.5404 9.5148 9.5148 10.2391 10.2391 10.3995 10.3995 11.1777 11.1777 11.4352 11.4352 11.5889 11.5889 12.2555 12.2555 k = 0.4571 0.2639-0.0000 ( 6926 PWs) bands (ev): -21.7719 -21.7719 -14.7576 -14.7576 -14.6175 -14.6175 -13.6713 -13.6713 -13.6058 -13.6058 -13.2916 -13.2916 -13.2265 -13.2265 -12.8118 -12.8118 -12.7482 -12.7482 -8.3341 -8.3341 -6.3666 -6.3666 -6.2718 -6.2718 -2.8373 -2.8373 -2.4928 -2.4928 -1.8217 -1.8217 -1.0244 -1.0244 -0.6641 -0.6641 -0.5975 -0.5975 -0.0572 -0.0572 -0.0342 -0.0342 0.6889 0.6889 0.8821 0.8821 0.9220 0.9220 1.0318 1.0318 1.3924 1.3924 1.6646 1.6646 1.8914 1.8914 2.1914 2.1914 2.2078 2.2078 2.3189 2.3189 2.9095 2.9095 3.0368 3.0368 3.1418 3.1418 3.3320 3.3320 3.3953 3.3953 3.5409 3.5409 9.5205 9.5205 10.2349 10.2349 10.3984 10.3984 11.2608 11.2608 11.4406 11.4406 11.5825 11.5825 12.2264 12.2264 k = 0.4714 0.2722-0.0000 ( 6934 PWs) bands (ev): -21.7718 -21.7718 -14.7537 -14.7537 -14.6158 -14.6158 -13.6735 -13.6735 -13.6123 -13.6123 -13.2919 -13.2919 -13.2266 -13.2266 -12.8107 -12.8107 -12.7486 -12.7486 -8.3340 -8.3340 -6.3669 -6.3669 -6.2712 -6.2712 -2.8219 -2.8219 -2.4835 -2.4835 -1.8249 -1.8249 -1.0331 -1.0331 -0.6614 -0.6614 -0.6050 -0.6050 -0.0493 -0.0493 -0.0284 -0.0284 0.6829 0.6829 0.8905 0.8905 0.9329 0.9329 1.0101 1.0101 1.3880 1.3880 1.6582 1.6582 1.8894 1.8894 2.1909 2.1909 2.2060 2.2060 2.3191 2.3191 2.9058 2.9058 3.0325 3.0325 3.1401 3.1401 3.3311 3.3311 3.3955 3.3955 3.5413 3.5413 9.5245 9.5245 10.2319 10.2319 10.3977 10.3977 11.3339 11.3339 11.4445 11.4445 11.5745 11.5745 12.1639 12.1639 k = 0.4857 0.2804-0.0000 ( 6938 PWs) bands (ev): -21.7717 -21.7717 -14.7513 -14.7513 -14.6149 -14.6149 -13.6747 -13.6747 -13.6163 -13.6163 -13.2921 -13.2921 -13.2266 -13.2266 -12.8101 -12.8101 -12.7488 -12.7488 -8.3339 -8.3339 -6.3670 -6.3670 -6.2708 -6.2708 -2.8123 -2.8123 -2.4780 -2.4780 -1.8269 -1.8269 -1.0384 -1.0384 -0.6591 -0.6591 -0.6101 -0.6101 -0.0444 -0.0444 -0.0250 -0.0250 0.6792 0.6792 0.8947 0.8947 0.9473 0.9473 0.9902 0.9902 1.3853 1.3853 1.6542 1.6542 1.8882 1.8882 2.1905 2.1905 2.2049 2.2049 2.3192 2.3192 2.9036 2.9036 3.0299 3.0299 3.1390 3.1390 3.3306 3.3306 3.3957 3.3957 3.5415 3.5415 9.5268 9.5268 10.2301 10.2301 10.3972 10.3972 11.3883 11.3883 11.4467 11.4467 11.5653 11.5653 12.1182 12.1182 k = 0.5000 0.2887-0.0000 ( 6936 PWs) bands (ev): -21.7717 -21.7717 -14.7505 -14.7505 -14.6145 -14.6145 -13.6751 -13.6751 -13.6176 -13.6176 -13.2921 -13.2921 -13.2266 -13.2266 -12.8099 -12.8099 -12.7489 -12.7489 -8.3339 -8.3339 -6.3671 -6.3671 -6.2707 -6.2707 -2.8091 -2.8091 -2.4761 -2.4761 -1.8275 -1.8275 -1.0402 -1.0402 -0.6583 -0.6583 -0.6120 -0.6120 -0.0428 -0.0428 -0.0238 -0.0238 0.6780 0.6780 0.8959 0.8959 0.9580 0.9580 0.9778 0.9778 1.3845 1.3845 1.6529 1.6529 1.8878 1.8878 2.1904 2.1904 2.2045 2.2045 2.3192 2.3192 2.9029 2.9029 3.0291 3.0291 3.1387 3.1387 3.3305 3.3305 3.3957 3.3957 3.5416 3.5416 9.5276 9.5276 10.2295 10.2295 10.3970 10.3970 11.4097 11.4097 11.4474 11.4474 11.5604 11.5604 12.1015 12.1015 k = 0.5000 0.2887-0.0000 ( 6936 PWs) bands (ev): -21.7717 -21.7717 -14.7505 -14.7505 -14.6145 -14.6145 -13.6751 -13.6751 -13.6176 -13.6176 -13.2921 -13.2921 -13.2266 -13.2266 -12.8099 -12.8099 -12.7489 -12.7489 -8.3339 -8.3339 -6.3671 -6.3671 -6.2707 -6.2707 -2.8091 -2.8091 -2.4761 -2.4761 -1.8275 -1.8275 -1.0402 -1.0402 -0.6583 -0.6583 -0.6120 -0.6120 -0.0428 -0.0428 -0.0238 -0.0238 0.6780 0.6780 0.8959 0.8959 0.9580 0.9580 0.9778 0.9778 1.3845 1.3845 1.6529 1.6529 1.8878 1.8878 2.1904 2.1904 2.2045 2.2045 2.3192 2.3192 2.9029 2.9029 3.0291 3.0291 3.1387 3.1387 3.3305 3.3305 3.3957 3.3957 3.5416 3.5416 9.5276 9.5276 10.2295 10.2295 10.3970 10.3970 11.4097 11.4097 11.4474 11.4474 11.5604 11.5604 12.1015 12.1015 k = 0.4917 0.3031-0.0000 ( 6936 PWs) bands (ev): -21.7717 -21.7717 -14.7502 -14.7502 -14.6145 -14.6145 -13.6754 -13.6754 -13.6179 -13.6179 -13.2920 -13.2920 -13.2267 -13.2267 -12.8098 -12.8098 -12.7489 -12.7489 -8.3338 -8.3338 -6.3671 -6.3671 -6.2706 -6.2706 -2.8079 -2.8079 -2.4751 -2.4751 -1.8277 -1.8277 -1.0425 -1.0425 -0.6584 -0.6584 -0.6128 -0.6128 -0.0415 -0.0415 -0.0235 -0.0235 0.6786 0.6786 0.8955 0.8955 0.9576 0.9576 0.9784 0.9784 1.3838 1.3838 1.6546 1.6546 1.8880 1.8880 2.1906 2.1906 2.2045 2.2045 2.3192 2.3192 2.9009 2.9009 3.0274 3.0274 3.1390 3.1390 3.3305 3.3305 3.3953 3.3953 3.5418 3.5418 9.5283 9.5283 10.2306 10.2306 10.3974 10.3974 11.3903 11.3903 11.4578 11.4578 11.5684 11.5684 12.1009 12.1009 k = 0.4833 0.3175-0.0000 ( 6944 PWs) bands (ev): -21.7717 -21.7717 -14.7491 -14.7491 -14.6145 -14.6145 -13.6764 -13.6764 -13.6187 -13.6187 -13.2916 -13.2916 -13.2270 -13.2270 -12.8095 -12.8095 -12.7492 -12.7492 -8.3338 -8.3338 -6.3671 -6.3671 -6.2705 -6.2705 -2.8043 -2.8043 -2.4718 -2.4718 -1.8283 -1.8283 -1.0494 -1.0494 -0.6590 -0.6590 -0.6151 -0.6151 -0.0378 -0.0378 -0.0224 -0.0224 0.6807 0.6807 0.8942 0.8942 0.9567 0.9567 0.9800 0.9800 1.3819 1.3819 1.6596 1.6596 1.8886 1.8886 2.1914 2.1914 2.2046 2.2046 2.3192 2.3192 2.8951 2.8951 3.0222 3.0222 3.1400 3.1400 3.3304 3.3304 3.3942 3.3942 3.5424 3.5424 9.5305 9.5305 10.2339 10.2339 10.3984 10.3984 11.3567 11.3567 11.4648 11.4648 11.5923 11.5923 12.0995 12.0995 k = 0.4750 0.3320-0.0000 ( 6938 PWs) bands (ev): -21.7717 -21.7717 -14.7474 -14.7474 -14.6144 -14.6144 -13.6780 -13.6780 -13.6201 -13.6201 -13.2911 -13.2911 -13.2275 -13.2275 -12.8090 -12.8090 -12.7495 -12.7495 -8.3337 -8.3337 -6.3670 -6.3670 -6.2704 -6.2704 -2.7984 -2.7984 -2.4665 -2.4665 -1.8292 -1.8292 -1.0608 -1.0608 -0.6599 -0.6599 -0.6190 -0.6190 -0.0319 -0.0319 -0.0206 -0.0206 0.6840 0.6840 0.8922 0.8922 0.9555 0.9555 0.9823 0.9823 1.3789 1.3789 1.6676 1.6676 1.8897 1.8897 2.1926 2.1926 2.2050 2.2050 2.3193 2.3193 2.8857 2.8857 3.0137 3.0137 3.1417 3.1417 3.3303 3.3303 3.3923 3.3923 3.5434 3.5434 9.5340 9.5340 10.2393 10.2393 10.4002 10.4002 11.3207 11.3207 11.4605 11.4605 11.6285 11.6285 12.0977 12.0977 k = 0.4667 0.3464-0.0000 ( 6934 PWs) bands (ev): -21.7717 -21.7717 -14.7449 -14.7449 -14.6142 -14.6142 -13.6801 -13.6801 -13.6221 -13.6221 -13.2903 -13.2903 -13.2282 -13.2282 -12.8083 -12.8083 -12.7501 -12.7501 -8.3336 -8.3336 -6.3670 -6.3670 -6.2702 -6.2702 -2.7901 -2.7901 -2.4593 -2.4593 -1.8304 -1.8304 -1.0764 -1.0764 -0.6611 -0.6611 -0.6241 -0.6241 -0.0240 -0.0240 -0.0180 -0.0180 0.6885 0.6885 0.8896 0.8896 0.9541 0.9541 0.9849 0.9849 1.3751 1.3751 1.6782 1.6782 1.8912 1.8912 2.1940 2.1940 2.2057 2.2057 2.3193 2.3193 2.8730 2.8730 3.0019 3.0019 3.1441 3.1441 3.3298 3.3298 3.3897 3.3897 3.5448 3.5448 9.5389 9.5389 10.2468 10.2468 10.4026 10.4026 11.2846 11.2846 11.4480 11.4480 11.6718 11.6718 12.0961 12.0961 k = 0.4583 0.3608-0.0000 ( 6937 PWs) bands (ev): -21.7716 -21.7716 -14.7418 -14.7418 -14.6142 -14.6142 -13.6827 -13.6827 -13.6246 -13.6246 -13.2894 -13.2894 -13.2290 -13.2290 -12.8074 -12.8074 -12.7507 -12.7507 -8.3335 -8.3335 -6.3669 -6.3669 -6.2699 -6.2699 -2.7795 -2.7795 -2.4503 -2.4503 -1.8317 -1.8317 -1.0960 -1.0960 -0.6627 -0.6627 -0.6304 -0.6304 -0.0168 -0.0168 -0.0127 -0.0127 0.6941 0.6941 0.8867 0.8867 0.9528 0.9528 0.9876 0.9876 1.3709 1.3709 1.6908 1.6908 1.8932 1.8932 2.1951 2.1951 2.2072 2.2072 2.3194 2.3194 2.8574 2.8574 2.9867 2.9867 3.1472 3.1472 3.3290 3.3290 3.3866 3.3866 3.5466 3.5466 9.5449 9.5449 10.2562 10.2562 10.4058 10.4058 11.2494 11.2494 11.4298 11.4298 11.7194 11.7194 12.0951 12.0951 k = 0.4500 0.3753-0.0000 ( 6941 PWs) bands (ev): -21.7716 -21.7716 -14.7381 -14.7381 -14.6141 -14.6141 -13.6857 -13.6857 -13.6276 -13.6276 -13.2884 -13.2884 -13.2299 -13.2299 -12.8064 -12.8064 -12.7515 -12.7515 -8.3334 -8.3334 -6.3669 -6.3669 -6.2696 -6.2696 -2.7667 -2.7667 -2.4398 -2.4398 -1.8330 -1.8330 -1.1192 -1.1192 -0.6645 -0.6645 -0.6375 -0.6375 -0.0131 -0.0131 -0.0021 -0.0021 0.7008 0.7008 0.8836 0.8836 0.9514 0.9514 0.9902 0.9902 1.3664 1.3664 1.7050 1.7050 1.8957 1.8957 2.1960 2.1960 2.2096 2.2096 2.3196 2.3196 2.8393 2.8393 2.9685 2.9685 3.1510 3.1510 3.3276 3.3276 3.3828 3.3828 3.5488 3.5488 9.5520 9.5520 10.2674 10.2674 10.4098 10.4098 11.2155 11.2155 11.4074 11.4074 11.7699 11.7699 12.0951 12.0951 k = 0.4417 0.3897-0.0000 ( 6945 PWs) bands (ev): -21.7715 -21.7715 -14.7338 -14.7338 -14.6141 -14.6141 -13.6889 -13.6889 -13.6311 -13.6311 -13.2873 -13.2873 -13.2309 -13.2309 -12.8051 -12.8051 -12.7525 -12.7525 -8.3332 -8.3332 -6.3668 -6.3668 -6.2692 -6.2692 -2.7517 -2.7517 -2.4282 -2.4282 -1.8341 -1.8341 -1.1456 -1.1456 -0.6666 -0.6666 -0.6453 -0.6453 -0.0097 -0.0097 0.0102 0.0102 0.7084 0.7084 0.8805 0.8805 0.9501 0.9501 0.9926 0.9926 1.3621 1.3621 1.7203 1.7203 1.8986 1.8986 2.1966 2.1966 2.2128 2.2128 2.3198 2.3198 2.8193 2.8193 2.9474 2.9474 3.1556 3.1556 3.3256 3.3256 3.3786 3.3786 3.5513 3.5513 9.5599 9.5599 10.2801 10.2801 10.4144 10.4144 11.1831 11.1831 11.3818 11.3818 11.8226 11.8226 12.0963 12.0963 k = 0.4333 0.4041-0.0000 ( 6941 PWs) bands (ev): -21.7714 -21.7714 -14.7289 -14.7289 -14.6143 -14.6143 -13.6924 -13.6924 -13.6352 -13.6352 -13.2861 -13.2861 -13.2320 -13.2320 -12.8037 -12.8037 -12.7536 -12.7536 -8.3331 -8.3331 -6.3667 -6.3667 -6.2689 -6.2689 -2.7347 -2.7347 -2.4160 -2.4160 -1.8346 -1.8346 -1.1748 -1.1748 -0.6690 -0.6690 -0.6535 -0.6535 -0.0064 -0.0064 0.0232 0.0232 0.7167 0.7167 0.8778 0.8778 0.9487 0.9487 0.9946 0.9946 1.3579 1.3579 1.7361 1.7361 1.9020 1.9020 2.1973 2.1973 2.2166 2.2166 2.3202 2.3202 2.7978 2.7978 2.9236 2.9236 3.1609 3.1609 3.3229 3.3229 3.3739 3.3739 3.5541 3.5541 9.5685 9.5685 10.2941 10.2941 10.4198 10.4198 11.1527 11.1527 11.3539 11.3539 11.8773 11.8773 12.0987 12.0987 k = 0.4250 0.4186-0.0000 ( 6941 PWs) bands (ev): -21.7714 -21.7714 -14.7234 -14.7234 -14.6147 -14.6147 -13.6958 -13.6958 -13.6397 -13.6397 -13.2850 -13.2850 -13.2331 -13.2331 -12.8021 -12.8021 -12.7548 -12.7548 -8.3329 -8.3329 -6.3667 -6.3667 -6.2684 -6.2684 -2.7158 -2.7158 -2.4035 -2.4035 -1.8341 -1.8341 -1.2067 -1.2067 -0.6716 -0.6716 -0.6618 -0.6618 -0.0032 -0.0032 0.0365 0.0365 0.7254 0.7254 0.8755 0.8755 0.9472 0.9472 0.9963 0.9963 1.3541 1.3541 1.7521 1.7521 1.9056 1.9056 2.1983 2.1983 2.2207 2.2207 2.3206 2.3206 2.7753 2.7753 2.8977 2.8977 3.1669 3.1669 3.3195 3.3195 3.3690 3.3690 3.5572 3.5572 9.5776 9.5776 10.3091 10.3091 10.4259 10.4259 11.1244 11.1244 11.3242 11.3242 11.9334 11.9334 12.1024 12.1024 k = 0.4167 0.4330-0.0000 ( 6943 PWs) bands (ev): -21.7713 -21.7713 -14.7175 -14.7175 -14.6153 -14.6153 -13.6992 -13.6992 -13.6446 -13.6446 -13.2839 -13.2839 -13.2342 -13.2342 -12.8004 -12.8004 -12.7562 -12.7562 -8.3327 -8.3327 -6.3666 -6.3666 -6.2680 -6.2680 -2.6950 -2.6950 -2.3915 -2.3915 -1.8323 -1.8323 -1.2407 -1.2407 -0.6745 -0.6745 -0.6698 -0.6698 -0.0001 -0.0001 0.0499 0.0499 0.7345 0.7345 0.8740 0.8740 0.9455 0.9455 0.9976 0.9976 1.3507 1.3507 1.7679 1.7679 1.9094 1.9094 2.2000 2.2000 2.2249 2.2249 2.3211 2.3211 2.7525 2.7525 2.8700 2.8700 3.1734 3.1734 3.3153 3.3153 3.3638 3.3638 3.5603 3.5603 9.5869 9.5869 10.3249 10.3249 10.4326 10.4326 11.0985 11.0985 11.2935 11.2935 11.9908 11.9908 12.1075 12.1075 k = 0.4083 0.4474-0.0000 ( 6939 PWs) bands (ev): -21.7712 -21.7712 -14.7112 -14.7112 -14.6162 -14.6162 -13.7023 -13.7023 -13.6499 -13.6499 -13.2828 -13.2828 -13.2352 -13.2352 -12.7985 -12.7985 -12.7577 -12.7577 -8.3325 -8.3325 -6.3666 -6.3666 -6.2675 -6.2675 -2.6726 -2.6726 -2.3807 -2.3807 -1.8284 -1.8284 -1.2766 -1.2766 -0.6787 -0.6787 -0.6764 -0.6764 0.0028 0.0028 0.0631 0.0631 0.7435 0.7435 0.8733 0.8733 0.9437 0.9437 0.9983 0.9983 1.3477 1.3477 1.7832 1.7832 1.9129 1.9129 2.2028 2.2028 2.2290 2.2290 2.3217 2.3217 2.7300 2.7300 2.8410 2.8410 3.1805 3.1805 3.3105 3.3105 3.3585 3.3585 3.5636 3.5636 9.5961 9.5961 10.3409 10.3409 10.4397 10.4397 11.0753 11.0753 11.2622 11.2622 12.0485 12.0485 12.1148 12.1148 k = 0.4000 0.4619-0.0000 ( 6943 PWs) bands (ev): -21.7712 -21.7712 -14.7045 -14.7045 -14.6175 -14.6175 -13.7051 -13.7051 -13.6555 -13.6555 -13.2819 -13.2819 -13.2361 -13.2361 -12.7964 -12.7964 -12.7594 -12.7594 -8.3323 -8.3323 -6.3666 -6.3666 -6.2670 -6.2670 -2.6487 -2.6487 -2.3719 -2.3719 -1.8221 -1.8221 -1.3140 -1.3140 -0.6854 -0.6854 -0.6801 -0.6801 0.0054 0.0054 0.0757 0.0757 0.7523 0.7523 0.8736 0.8736 0.9416 0.9416 0.9985 0.9985 1.3450 1.3450 1.7978 1.7978 1.9158 1.9158 2.2067 2.2067 2.2330 2.2330 2.3221 2.3221 2.7082 2.7082 2.8113 2.8113 3.1881 3.1881 3.3052 3.3052 3.3531 3.3531 3.5667 3.5667 9.6051 9.6051 10.3570 10.3570 10.4471 10.4471 11.0552 11.0552 11.2310 11.2310 12.0996 12.0996 12.1306 12.1306 k = 0.3917 0.4763-0.0000 ( 6935 PWs) bands (ev): -21.7711 -21.7711 -14.6975 -14.6975 -14.6192 -14.6192 -13.7075 -13.7075 -13.6614 -13.6614 -13.2811 -13.2811 -13.2370 -13.2370 -12.7943 -12.7943 -12.7611 -12.7611 -8.3321 -8.3321 -6.3666 -6.3666 -6.2665 -6.2665 -2.6234 -2.6234 -2.3658 -2.3658 -1.8125 -1.8125 -1.3527 -1.3527 -0.6918 -0.6918 -0.6834 -0.6834 0.0077 0.0077 0.0875 0.0875 0.7605 0.7605 0.8752 0.8752 0.9393 0.9393 0.9982 0.9982 1.3428 1.3428 1.8117 1.8117 1.9176 1.9176 2.2121 2.2121 2.2367 2.2367 2.3223 2.3223 2.6878 2.6878 2.7816 2.7816 3.1961 3.1961 3.2994 3.2994 3.3477 3.3477 3.5697 3.5697 9.6136 9.6136 10.3727 10.3727 10.4545 10.4545 11.0384 11.0384 11.2005 11.2005 12.1205 12.1205 12.1782 12.1782 k = 0.3833 0.4907-0.0000 ( 6943 PWs) bands (ev): -21.7710 -21.7710 -14.6902 -14.6902 -14.6213 -14.6213 -13.7092 -13.7092 -13.6675 -13.6675 -13.2804 -13.2804 -13.2378 -13.2378 -12.7920 -12.7920 -12.7630 -12.7630 -8.3320 -8.3320 -6.3666 -6.3666 -6.2661 -6.2661 -2.5972 -2.5972 -2.3631 -2.3631 -1.7992 -1.7992 -1.3924 -1.3924 -0.6973 -0.6973 -0.6867 -0.6867 0.0096 0.0096 0.0983 0.0983 0.7678 0.7678 0.8780 0.8780 0.9367 0.9367 0.9973 0.9973 1.3409 1.3409 1.8248 1.8248 1.9181 1.9181 2.2187 2.2187 2.2404 2.2404 2.3220 2.3220 2.6694 2.6694 2.7525 2.7525 3.2045 3.2045 3.2932 3.2932 3.3424 3.3424 3.5725 3.5725 9.6215 9.6215 10.3876 10.3876 10.4616 10.4616 11.0253 11.0253 11.1710 11.1710 12.1308 12.1308 12.2372 12.2372 k = 0.3750 0.5052-0.0000 ( 6947 PWs) bands (ev): -21.7710 -21.7710 -14.6829 -14.6829 -14.6241 -14.6241 -13.7102 -13.7102 -13.6736 -13.6736 -13.2798 -13.2798 -13.2384 -13.2384 -12.7896 -12.7896 -12.7650 -12.7650 -8.3318 -8.3318 -6.3666 -6.3666 -6.2657 -6.2657 -2.5701 -2.5701 -2.3644 -2.3644 -1.7818 -1.7818 -1.4328 -1.4328 -0.7018 -0.7018 -0.6901 -0.6901 0.0113 0.0113 0.1079 0.1079 0.7741 0.7741 0.8820 0.8820 0.9338 0.9338 0.9959 0.9959 1.3394 1.3394 1.8371 1.8371 1.9169 1.9169 2.2260 2.2260 2.2446 2.2446 2.3208 2.3208 2.6537 2.6537 2.7249 2.7249 3.2130 3.2130 3.2868 3.2868 3.3374 3.3374 3.5749 3.5749 9.6284 9.6284 10.4012 10.4012 10.4680 10.4680 11.0164 11.0164 11.1431 11.1431 12.1401 12.1401 12.2948 12.2949 k = 0.3667 0.5196-0.0000 ( 6953 PWs) bands (ev): -21.7709 -21.7709 -14.6754 -14.6754 -14.6274 -14.6274 -13.7104 -13.7104 -13.6797 -13.6797 -13.2794 -13.2794 -13.2389 -13.2389 -12.7872 -12.7872 -12.7672 -12.7672 -8.3317 -8.3317 -6.3666 -6.3666 -6.2653 -6.2653 -2.5426 -2.5426 -2.3701 -2.3701 -1.7602 -1.7602 -1.4737 -1.4737 -0.7051 -0.7051 -0.6934 -0.6934 0.0127 0.0127 0.1161 0.1161 0.7793 0.7793 0.8869 0.8869 0.9309 0.9309 0.9940 0.9940 1.3381 1.3381 1.8486 1.8486 1.9140 1.9140 2.2324 2.2324 2.2505 2.2505 2.3183 2.3183 2.6412 2.6412 2.6995 2.6995 3.2216 3.2216 3.2803 3.2803 3.3328 3.3328 3.5770 3.5770 9.6343 9.6343 10.4132 10.4132 10.4734 10.4734 11.0117 11.0117 11.1171 11.1171 12.1493 12.1493 12.3348 12.3355 k = 0.3583 0.5340-0.0000 ( 6961 PWs) bands (ev): -21.7709 -21.7709 -14.6681 -14.6681 -14.6313 -14.6313 -13.7098 -13.7098 -13.6856 -13.6856 -13.2790 -13.2790 -13.2393 -13.2393 -12.7847 -12.7847 -12.7694 -12.7694 -8.3316 -8.3316 -6.3666 -6.3666 -6.2650 -6.2650 -2.5149 -2.5149 -2.3802 -2.3802 -1.7343 -1.7343 -1.5146 -1.5146 -0.7072 -0.7072 -0.6967 -0.6967 0.0138 0.0138 0.1227 0.1227 0.7832 0.7832 0.8924 0.8924 0.9280 0.9280 0.9918 0.9918 1.3371 1.3371 1.8593 1.8593 1.9095 1.9095 2.2366 2.2366 2.2591 2.2591 2.3142 2.3142 2.6327 2.6327 2.6771 2.6771 3.2300 3.2300 3.2739 3.2739 3.3286 3.3286 3.5787 3.5787 9.6390 9.6390 10.4230 10.4230 10.4777 10.4777 11.0115 11.0115 11.0936 11.0936 12.1582 12.1582 12.3478 12.3478 k = 0.3500 0.5485-0.0000 ( 6965 PWs) bands (ev): -21.7708 -21.7708 -14.6609 -14.6609 -14.6359 -14.6359 -13.7081 -13.7081 -13.6912 -13.6912 -13.2788 -13.2788 -13.2396 -13.2396 -12.7821 -12.7821 -12.7718 -12.7718 -8.3315 -8.3315 -6.3666 -6.3666 -6.2647 -6.2647 -2.4876 -2.4876 -2.3947 -2.3947 -1.7043 -1.7043 -1.5552 -1.5552 -0.7080 -0.7080 -0.6998 -0.6998 0.0147 0.0147 0.1276 0.1276 0.7859 0.7859 0.8976 0.8976 0.9255 0.9255 0.9894 0.9894 1.3363 1.3363 1.8693 1.8693 1.9037 1.9037 2.2387 2.2387 2.2696 2.2696 2.3082 2.3082 2.6284 2.6284 2.6584 2.6584 3.2379 3.2379 3.2678 3.2678 3.3252 3.3252 3.5800 3.5800 9.6425 9.6425 10.4304 10.4304 10.4807 10.4807 11.0157 11.0157 11.0728 11.0728 12.1662 12.1662 12.3537 12.3537 k = 0.3417 0.5629-0.0000 ( 6965 PWs) bands (ev): -21.7708 -21.7708 -14.6539 -14.6539 -14.6412 -14.6412 -13.7055 -13.7055 -13.6964 -13.6964 -13.2787 -13.2787 -13.2398 -13.2398 -12.7795 -12.7795 -12.7742 -12.7742 -8.3314 -8.3314 -6.3666 -6.3666 -6.2646 -6.2646 -2.4610 -2.4610 -2.4133 -2.4133 -1.6708 -1.6708 -1.5952 -1.5952 -0.7074 -0.7074 -0.7028 -0.7028 0.0152 0.0152 0.1306 0.1306 0.7875 0.7875 0.9013 0.9013 0.9240 0.9240 0.9875 0.9875 1.3358 1.3358 1.8780 1.8780 1.8971 1.8971 2.2397 2.2397 2.2805 2.2805 2.3004 2.3004 2.6287 2.6287 2.6441 2.6441 3.2444 3.2444 3.2625 3.2625 3.3229 3.3229 3.5807 3.5807 9.6446 9.6446 10.4348 10.4348 10.4824 10.4824 11.0237 11.0237 11.0551 11.0551 12.1724 12.1724 12.3576 12.3576 k = 0.3333 0.5774-0.0000 ( 6963 PWs) bands (ev): -21.7708 -21.7708 -14.6478 -14.6478 -14.6468 -14.6468 -13.7029 -13.7029 -13.6998 -13.6998 -13.2787 -13.2787 -13.2398 -13.2398 -12.7774 -12.7774 -12.7763 -12.7763 -8.3314 -8.3314 -6.3667 -6.3667 -6.2645 -6.2645 -2.4371 -2.4371 -2.4345 -2.4345 -1.6346 -1.6346 -1.6336 -1.6336 -0.7059 -0.7059 -0.7051 -0.7051 0.0154 0.0154 0.1316 0.1316 0.7881 0.7881 0.9026 0.9026 0.9236 0.9236 0.9867 0.9867 1.3356 1.3356 1.8830 1.8830 1.8928 1.8928 2.2399 2.2399 2.2904 2.2904 2.2916 2.2916 2.6323 2.6323 2.6358 2.6358 3.2474 3.2474 3.2600 3.2600 3.3221 3.3221 3.5810 3.5810 9.6453 9.6453 10.4363 10.4363 10.4829 10.4829 11.0313 11.0313 11.0444 11.0444 12.1750 12.1750 12.3593 12.3593 k = 0.3333 0.5774-0.0000 ( 6963 PWs) bands (ev): -21.7708 -21.7708 -14.6478 -14.6478 -14.6468 -14.6468 -13.7029 -13.7029 -13.6998 -13.6998 -13.2787 -13.2787 -13.2398 -13.2398 -12.7774 -12.7774 -12.7763 -12.7763 -8.3314 -8.3314 -6.3667 -6.3667 -6.2645 -6.2645 -2.4371 -2.4371 -2.4345 -2.4345 -1.6346 -1.6346 -1.6336 -1.6336 -0.7059 -0.7059 -0.7051 -0.7051 0.0154 0.0154 0.1316 0.1316 0.7881 0.7881 0.9026 0.9026 0.9236 0.9236 0.9867 0.9867 1.3356 1.3356 1.8830 1.8830 1.8928 1.8928 2.2399 2.2399 2.2904 2.2904 2.2916 2.2916 2.6323 2.6323 2.6358 2.6358 3.2474 3.2474 3.2600 3.2600 3.3221 3.3221 3.5810 3.5810 9.6453 9.6453 10.4363 10.4363 10.4829 10.4829 11.0313 11.0313 11.0444 11.0444 12.1750 12.1750 12.3593 12.3593 k = 0.3250 0.5629-0.0000 ( 6967 PWs) bands (ev): -21.7708 -21.7708 -14.6540 -14.6540 -14.6411 -14.6411 -13.7057 -13.7057 -13.6961 -13.6961 -13.2787 -13.2787 -13.2398 -13.2398 -12.7796 -12.7796 -12.7742 -12.7742 -8.3314 -8.3314 -6.3666 -6.3666 -6.2646 -6.2646 -2.4618 -2.4618 -2.4126 -2.4126 -1.6713 -1.6713 -1.5947 -1.5947 -0.7079 -0.7079 -0.7023 -0.7023 0.0152 0.0152 0.1306 0.1306 0.7875 0.7875 0.9016 0.9016 0.9234 0.9234 0.9878 0.9878 1.3358 1.3358 1.8783 1.8783 1.8969 1.8969 2.2397 2.2397 2.2807 2.2807 2.3003 2.3003 2.6288 2.6288 2.6439 2.6439 3.2450 3.2450 3.2618 3.2618 3.3231 3.3231 3.5807 3.5807 9.6446 9.6446 10.4349 10.4349 10.4824 10.4824 11.0230 11.0230 11.0555 11.0555 12.1710 12.1710 12.3565 12.3565 k = 0.3167 0.5485-0.0000 ( 6953 PWs) bands (ev): -21.7708 -21.7708 -14.6615 -14.6615 -14.6356 -14.6356 -13.7088 -13.7088 -13.6901 -13.6901 -13.2788 -13.2788 -13.2396 -13.2396 -12.7823 -12.7823 -12.7716 -12.7716 -8.3315 -8.3315 -6.3666 -6.3666 -6.2648 -6.2648 -2.4908 -2.4908 -2.3925 -2.3925 -1.7061 -1.7061 -1.5532 -1.5532 -0.7099 -0.7099 -0.6978 -0.6978 0.0145 0.0145 0.1273 0.1273 0.7861 0.7861 0.8995 0.8995 0.9216 0.9216 0.9916 0.9916 1.3365 1.3365 1.8709 1.8709 1.9028 1.9028 2.2391 2.2391 2.2702 2.2702 2.3079 2.3079 2.6286 2.6286 2.6577 2.6577 3.2405 3.2405 3.2644 3.2644 3.3261 3.3261 3.5799 3.5799 9.6424 9.6424 10.4311 10.4311 10.4808 10.4808 11.0119 11.0119 11.0741 11.0741 12.1551 12.1551 12.3466 12.3466 k = 0.3083 0.5340-0.0000 ( 6953 PWs) bands (ev): -21.7709 -21.7709 -14.6696 -14.6696 -14.6307 -14.6307 -13.7110 -13.7110 -13.6829 -13.6829 -13.2789 -13.2789 -13.2394 -13.2394 -12.7852 -12.7852 -12.7690 -12.7690 -8.3316 -8.3316 -6.3665 -6.3665 -6.2651 -6.2651 -2.5227 -2.5227 -2.3761 -2.3761 -1.7377 -1.7377 -1.5099 -1.5099 -0.7114 -0.7114 -0.6920 -0.6920 0.0131 0.0131 0.1217 0.1217 0.7837 0.7837 0.8969 0.8969 0.9177 0.9177 0.9981 0.9981 1.3377 1.3377 1.8634 1.8634 1.9081 1.9081 2.2382 2.2382 2.2604 2.2604 2.3139 2.3139 2.6327 2.6327 2.6752 2.6752 3.2358 3.2358 3.2660 3.2660 3.3312 3.3312 3.5786 3.5786 9.6389 9.6389 10.4253 10.4253 10.4783 10.4783 11.0013 11.0013 11.0956 11.0956 12.1212 12.1212 12.3328 12.3328 k = 0.3000 0.5196-0.0000 ( 6943 PWs) bands (ev): -21.7709 -21.7709 -14.6785 -14.6785 -14.6267 -14.6267 -13.7121 -13.7121 -13.6745 -13.6745 -13.2791 -13.2791 -13.2391 -13.2391 -12.7882 -12.7882 -12.7665 -12.7665 -8.3317 -8.3317 -6.3664 -6.3664 -6.2656 -6.2656 -2.5570 -2.5570 -2.3646 -2.3646 -1.7654 -1.7654 -1.4654 -1.4654 -0.7125 -0.7125 -0.6851 -0.6851 0.0110 0.0110 0.1139 0.1139 0.7806 0.7806 0.8937 0.8937 0.9124 0.9124 1.0069 1.0069 1.3396 1.3396 1.8564 1.8564 1.9124 1.9124 2.2366 2.2366 2.2521 2.2521 2.3182 2.3182 2.6408 2.6408 2.6961 2.6961 3.2314 3.2314 3.2666 3.2666 3.3379 3.3379 3.5769 3.5769 9.6339 9.6339 10.4181 10.4181 10.4750 10.4750 10.9903 10.9903 11.1192 11.1192 12.0679 12.0679 12.3228 12.3228 k = 0.2917 0.5052-0.0000 ( 6947 PWs) bands (ev): -21.7710 -21.7710 -14.6879 -14.6879 -14.6235 -14.6235 -13.7121 -13.7121 -13.6649 -13.6649 -13.2793 -13.2793 -13.2386 -13.2386 -12.7912 -12.7912 -12.7641 -12.7641 -8.3319 -8.3319 -6.3663 -6.3663 -6.2662 -6.2662 -2.5935 -2.5935 -2.3590 -2.3590 -1.7882 -1.7882 -1.4201 -1.4201 -0.7129 -0.7129 -0.6770 -0.6770 0.0078 0.0078 0.1037 0.1037 0.7771 0.7771 0.8889 0.8889 0.9073 0.9073 1.0175 1.0175 1.3423 1.3423 1.8503 1.8503 1.9157 1.9157 2.2341 2.2341 2.2462 2.2462 2.3211 2.3211 2.6524 2.6524 2.7196 2.7196 3.2274 3.2274 3.2665 3.2665 3.3457 3.3457 3.5746 3.5746 9.6274 9.6274 10.4100 10.4100 10.4712 10.4712 10.9777 10.9777 11.1444 11.1444 12.0012 12.0012 12.3192 12.3192 k = 0.2833 0.4907-0.0000 ( 6949 PWs) bands (ev): -21.7711 -21.7711 -14.6980 -14.6980 -14.6212 -14.6212 -13.7107 -13.7107 -13.6543 -13.6543 -13.2795 -13.2795 -13.2382 -13.2382 -12.7943 -12.7943 -12.7617 -12.7617 -8.3321 -8.3321 -6.3661 -6.3661 -6.2670 -6.2670 -2.6320 -2.6320 -2.3600 -2.3600 -1.8055 -1.8055 -1.3743 -1.3743 -0.7127 -0.7127 -0.6678 -0.6678 0.0033 0.0033 0.0913 0.0913 0.7735 0.7735 0.8812 0.8812 0.9043 0.9043 1.0297 1.0297 1.3460 1.3460 1.8451 1.8451 1.9181 1.9181 2.2305 2.2305 2.2429 2.2429 2.3229 2.3229 2.6672 2.6672 2.7454 2.7454 3.2239 3.2239 3.2660 3.2660 3.3542 3.3542 3.5718 3.5718 9.6195 9.6195 10.4016 10.4016 10.4671 10.4671 10.9623 10.9623 11.1707 11.1707 11.9284 11.9284 12.3204 12.3204 k = 0.2750 0.4763-0.0000 ( 6945 PWs) bands (ev): -21.7712 -21.7712 -14.7086 -14.7086 -14.6200 -14.6200 -13.7080 -13.7080 -13.6427 -13.6427 -13.2797 -13.2797 -13.2376 -13.2376 -12.7975 -12.7975 -12.7595 -12.7595 -8.3324 -8.3324 -6.3658 -6.3658 -6.2680 -6.2680 -2.6720 -2.6720 -2.3682 -2.3682 -1.8170 -1.8170 -1.3284 -1.3284 -0.7118 -0.7118 -0.6577 -0.6577 -0.0028 -0.0028 0.0767 0.0767 0.7703 0.7703 0.8709 0.8709 0.9033 0.9033 1.0432 1.0432 1.3508 1.3508 1.8410 1.8410 1.9199 1.9199 2.2270 2.2270 2.2414 2.2414 2.3239 2.3239 2.6845 2.6845 2.7729 2.7729 3.2209 3.2209 3.2656 3.2656 3.3631 3.3631 3.5686 3.5686 9.6101 9.6101 10.3931 10.3931 10.4631 10.4631 10.9427 10.9427 11.1977 11.1977 11.8548 11.8548 12.3247 12.3247 k = 0.2667 0.4619-0.0000 ( 6939 PWs) bands (ev): -21.7714 -21.7714 -14.7196 -14.7196 -14.6198 -14.6198 -13.7038 -13.7038 -13.6301 -13.6301 -13.2799 -13.2799 -13.2370 -13.2370 -12.8007 -12.8007 -12.7574 -12.7574 -8.3327 -8.3327 -6.3655 -6.3655 -6.2692 -6.2692 -2.7135 -2.7135 -2.3833 -2.3833 -1.8230 -1.8230 -1.2827 -1.2827 -0.7102 -0.7102 -0.6468 -0.6468 -0.0107 -0.0107 0.0602 0.0602 0.7677 0.7677 0.8587 0.8587 0.9036 0.9036 1.0583 1.0583 1.3568 1.3568 1.8380 1.8380 1.9213 1.9213 2.2242 2.2242 2.2408 2.2408 2.3243 2.3243 2.7042 2.7042 2.8017 2.8017 3.2185 3.2185 3.2653 3.2653 3.3722 3.3722 3.5650 3.5650 9.5991 9.5991 10.3850 10.3850 10.4593 10.4593 10.9175 10.9175 11.2250 11.2250 11.7840 11.7840 12.3310 12.3310 k = 0.2583 0.4474-0.0000 ( 6937 PWs) bands (ev): -21.7715 -21.7715 -14.7311 -14.7311 -14.6207 -14.6207 -13.6981 -13.6981 -13.6167 -13.6167 -13.2800 -13.2800 -13.2363 -13.2363 -12.8040 -12.8040 -12.7555 -12.7555 -8.3331 -8.3331 -6.3650 -6.3650 -6.2705 -6.2705 -2.7562 -2.7562 -2.4048 -2.4048 -1.8242 -1.8242 -1.2375 -1.2375 -0.7079 -0.7079 -0.6350 -0.6350 -0.0207 -0.0207 0.0417 0.0417 0.7660 0.7660 0.8455 0.8455 0.9047 0.9047 1.0751 1.0751 1.3642 1.3642 1.8362 1.8362 1.9224 1.9224 2.2223 2.2223 2.2407 2.2407 2.3242 2.3242 2.7259 2.7259 2.8316 2.8316 3.2167 3.2167 3.2652 3.2652 3.3813 3.3813 3.5609 3.5609 9.5865 9.5865 10.3776 10.3776 10.4561 10.4561 10.8858 10.8858 11.2521 11.2521 11.7187 11.7187 12.3389 12.3389 k = 0.2500 0.4330-0.0000 ( 6945 PWs) bands (ev): -21.7717 -21.7717 -14.7429 -14.7429 -14.6227 -14.6227 -13.6909 -13.6909 -13.6024 -13.6024 -13.2802 -13.2802 -13.2355 -13.2355 -12.8073 -12.8073 -12.7537 -12.7537 -8.3335 -8.3335 -6.3646 -6.3646 -6.2720 -6.2720 -2.7999 -2.7999 -2.4318 -2.4318 -1.8214 -1.8214 -1.1930 -1.1930 -0.7048 -0.7048 -0.6225 -0.6225 -0.0330 -0.0330 0.0217 0.0217 0.7654 0.7654 0.8318 0.8318 0.9062 0.9062 1.0937 1.0937 1.3731 1.3731 1.8356 1.8356 1.9236 1.9236 2.2212 2.2212 2.2410 2.2410 2.3240 2.3240 2.7493 2.7493 2.8622 2.8622 3.2155 3.2155 3.2656 3.2656 3.3902 3.3902 3.5565 3.5565 9.5721 9.5721 10.3712 10.3712 10.4536 10.4536 10.8469 10.8469 11.2786 11.2786 11.6608 11.6608 12.3478 12.3478 k = 0.2417 0.4186-0.0000 ( 6937 PWs) bands (ev): -21.7719 -21.7719 -14.7551 -14.7551 -14.6257 -14.6257 -13.6822 -13.6822 -13.5873 -13.5873 -13.2803 -13.2803 -13.2348 -13.2348 -12.8107 -12.8107 -12.7522 -12.7522 -8.3339 -8.3339 -6.3640 -6.3640 -6.2737 -6.2737 -2.8444 -2.8444 -2.4633 -2.4633 -1.8159 -1.8159 -1.1494 -1.1494 -0.7011 -0.7011 -0.6094 -0.6094 -0.0478 -0.0478 0.0003 0.0003 0.7655 0.7655 0.8181 0.8181 0.9078 0.9078 1.1144 1.1144 1.3836 1.3836 1.8360 1.8360 1.9249 1.9249 2.2207 2.2207 2.2416 2.2416 2.3237 2.3237 2.7741 2.7741 2.8932 2.8932 3.2149 3.2149 3.2664 3.2664 3.3990 3.3990 3.5518 3.5518 9.5558 9.5558 10.3660 10.3660 10.4518 10.4518 10.8009 10.8009 11.3036 11.3036 11.6117 11.6117 12.3577 12.3578 k = 0.2333 0.4041-0.0000 ( 6935 PWs) bands (ev): -21.7722 -21.7722 -14.7674 -14.7674 -14.6297 -14.6297 -13.6720 -13.6720 -13.5717 -13.5717 -13.2804 -13.2804 -13.2340 -13.2340 -12.8141 -12.8141 -12.7508 -12.7508 -8.3344 -8.3344 -6.3633 -6.3633 -6.2756 -6.2756 -2.8895 -2.8895 -2.4982 -2.4982 -1.8085 -1.8085 -1.1069 -1.1069 -0.6968 -0.6968 -0.5958 -0.5958 -0.0651 -0.0651 -0.0222 -0.0222 0.7651 0.7651 0.8059 0.8059 0.9094 0.9094 1.1375 1.1375 1.3958 1.3958 1.8376 1.8376 1.9264 1.9264 2.2206 2.2206 2.2425 2.2425 2.3234 2.3234 2.8001 2.8001 2.9244 2.9244 3.2149 3.2149 3.2677 3.2677 3.4075 3.4075 3.5468 3.5468 9.5374 9.5374 10.3621 10.3621 10.4508 10.4508 10.7487 10.7487 11.3261 11.3261 11.5722 11.5722 12.3684 12.3684 k = 0.2250 0.3897-0.0000 ( 6947 PWs) bands (ev): -21.7724 -21.7724 -14.7799 -14.7799 -14.6347 -14.6347 -13.6605 -13.6605 -13.5554 -13.5554 -13.2804 -13.2804 -13.2331 -13.2331 -12.8175 -12.8175 -12.7497 -12.7497 -8.3349 -8.3349 -6.3626 -6.3626 -6.2776 -6.2776 -2.9350 -2.9350 -2.5358 -2.5358 -1.8002 -1.8002 -1.0655 -1.0655 -0.6919 -0.6919 -0.5817 -0.5817 -0.0847 -0.0847 -0.0455 -0.0455 0.7613 0.7613 0.7982 0.7982 0.9108 0.9108 1.1631 1.1631 1.4098 1.4098 1.8401 1.8401 1.9282 1.9282 2.2208 2.2208 2.2437 2.2437 2.3232 2.3232 2.8272 2.8272 2.9556 2.9556 3.2156 3.2156 3.2695 3.2695 3.4156 3.4156 3.5415 3.5415 9.5165 9.5165 10.3597 10.3597 10.4505 10.4505 10.6917 10.6917 11.3441 11.3441 11.5435 11.5435 12.3794 12.3794 k = 0.2167 0.3753-0.0000 ( 6945 PWs) bands (ev): -21.7727 -21.7727 -14.7925 -14.7925 -14.6405 -14.6405 -13.6476 -13.6476 -13.5387 -13.5387 -13.2803 -13.2803 -13.2323 -13.2323 -12.8209 -12.8209 -12.7489 -12.7489 -8.3354 -8.3354 -6.3617 -6.3617 -6.2798 -6.2798 -2.9808 -2.9808 -2.5752 -2.5752 -1.7916 -1.7916 -1.0255 -1.0255 -0.6865 -0.6865 -0.5674 -0.5674 -0.1066 -0.1066 -0.0695 -0.0695 0.7516 0.7516 0.7974 0.7974 0.9120 0.9120 1.1914 1.1914 1.4256 1.4256 1.8436 1.8436 1.9304 1.9304 2.2212 2.2212 2.2450 2.2450 2.3231 2.3231 2.8549 2.8549 2.9867 2.9867 3.2169 3.2169 3.2719 3.2719 3.4234 3.4234 3.5360 3.5360 9.4930 9.4930 10.3588 10.3588 10.4503 10.4503 10.6322 10.6322 11.3553 11.3553 11.5271 11.5271 12.3908 12.3908 k = 0.2083 0.3608-0.0000 ( 6941 PWs) bands (ev): -21.7730 -21.7730 -14.8051 -14.8051 -14.6470 -14.6470 -13.6336 -13.6336 -13.5216 -13.5216 -13.2802 -13.2802 -13.2314 -13.2314 -12.8243 -12.8243 -12.7483 -12.7483 -8.3360 -8.3360 -6.3608 -6.3608 -6.2821 -6.2821 -3.0266 -3.0266 -2.6160 -2.6160 -1.7831 -1.7831 -0.9868 -0.9868 -0.6808 -0.6808 -0.5529 -0.5529 -0.1302 -0.1302 -0.0941 -0.0941 0.7377 0.7377 0.8016 0.8016 0.9128 0.9128 1.2225 1.2225 1.4432 1.4432 1.8480 1.8480 1.9328 1.9328 2.2217 2.2217 2.2464 2.2464 2.3230 2.3230 2.8833 2.8833 3.0175 3.0175 3.2188 3.2188 3.2750 3.2750 3.4308 3.4308 3.5303 3.5303 9.4665 9.4665 10.3594 10.3594 10.4490 10.4490 10.5737 10.5737 11.3577 11.3577 11.5239 11.5239 12.4022 12.4022 k = 0.2000 0.3464-0.0000 ( 6939 PWs) bands (ev): -21.7733 -21.7733 -14.8177 -14.8177 -14.6543 -14.6543 -13.6183 -13.6183 -13.5043 -13.5043 -13.2800 -13.2800 -13.2306 -13.2306 -12.8277 -12.8277 -12.7481 -12.7481 -8.3366 -8.3366 -6.3598 -6.3598 -6.2846 -6.2846 -3.0724 -3.0724 -2.6575 -2.6575 -1.7752 -1.7752 -0.9495 -0.9495 -0.6749 -0.6749 -0.5382 -0.5382 -0.1553 -0.1553 -0.1190 -0.1190 0.7220 0.7220 0.8081 0.8081 0.9133 0.9133 1.2564 1.2564 1.4626 1.4626 1.8531 1.8531 1.9356 1.9356 2.2223 2.2223 2.2479 2.2479 2.3231 2.3231 2.9120 2.9120 3.0478 3.0478 3.2213 3.2213 3.2786 3.2786 3.4378 3.4378 3.5245 3.5245 9.4367 9.4367 10.3608 10.3608 10.4412 10.4412 10.5238 10.5238 11.3522 11.3522 11.5319 11.5319 12.4132 12.4132 k = 0.1917 0.3320-0.0000 ( 6939 PWs) bands (ev): -21.7736 -21.7736 -14.8302 -14.8302 -14.6621 -14.6621 -13.6021 -13.6021 -13.4867 -13.4867 -13.2797 -13.2797 -13.2297 -13.2297 -12.8310 -12.8310 -12.7481 -12.7481 -8.3373 -8.3373 -6.3587 -6.3587 -6.2872 -6.2872 -3.1178 -3.1178 -2.6994 -2.6994 -1.7679 -1.7679 -0.9136 -0.9136 -0.6688 -0.6688 -0.5236 -0.5236 -0.1815 -0.1815 -0.1441 -0.1441 0.7055 0.7055 0.8157 0.8157 0.9133 0.9133 1.2930 1.2930 1.4838 1.4838 1.8589 1.8589 1.9386 1.9386 2.2230 2.2230 2.2493 2.2493 2.3233 2.3233 2.9409 2.9409 3.0775 3.0775 3.2244 3.2244 3.2829 3.2829 3.4443 3.4443 3.5186 3.5186 9.4034 9.4034 10.3606 10.3606 10.4158 10.4158 10.4975 10.4975 11.3415 11.3415 11.5475 11.5475 12.4235 12.4235 k = 0.1833 0.3175-0.0000 ( 6941 PWs) bands (ev): -21.7739 -21.7739 -14.8426 -14.8426 -14.6704 -14.6704 -13.5850 -13.5850 -13.4690 -13.4690 -13.2793 -13.2793 -13.2289 -13.2289 -12.8343 -12.8343 -12.7485 -12.7485 -8.3379 -8.3379 -6.3575 -6.3575 -6.2899 -6.2899 -3.1629 -3.1629 -2.7413 -2.7413 -1.7616 -1.7616 -0.8791 -0.8791 -0.6627 -0.6627 -0.5092 -0.5092 -0.2083 -0.2083 -0.1692 -0.1692 0.6888 0.6888 0.8237 0.8237 0.9131 0.9131 1.3320 1.3320 1.5066 1.5066 1.8652 1.8652 1.9418 1.9418 2.2238 2.2238 2.2507 2.2507 2.3236 2.3236 2.9697 2.9697 3.1065 3.1065 3.2283 3.2283 3.2879 3.2879 3.4503 3.4503 3.5127 3.5127 9.3663 9.3663 10.3428 10.3428 10.3916 10.3916 10.4933 10.4933 11.3285 11.3285 11.5673 11.5673 12.4327 12.4327 k = 0.1750 0.3031-0.0000 ( 6939 PWs) bands (ev): -21.7742 -21.7742 -14.8548 -14.8548 -14.6791 -14.6791 -13.5671 -13.5671 -13.4514 -13.4514 -13.2789 -13.2789 -13.2281 -13.2281 -12.8376 -12.8376 -12.7492 -12.7492 -8.3386 -8.3386 -6.3563 -6.3563 -6.2927 -6.2927 -3.2074 -3.2074 -2.7829 -2.7829 -1.7562 -1.7562 -0.8461 -0.8461 -0.6568 -0.6568 -0.4950 -0.4950 -0.2355 -0.2355 -0.1941 -0.1941 0.6720 0.6720 0.8317 0.8317 0.9124 0.9124 1.3732 1.3732 1.5310 1.5310 1.8720 1.8720 1.9452 1.9452 2.2248 2.2248 2.2519 2.2519 2.3241 2.3241 2.9982 2.9982 3.1344 3.1344 3.2329 3.2329 3.2935 3.2935 3.4559 3.4559 3.5068 3.5068 9.3255 9.3255 10.2991 10.2991 10.3917 10.3917 10.4975 10.4975 11.3148 11.3148 11.5892 11.5892 12.4403 12.4403 k = 0.1667 0.2887-0.0000 ( 6933 PWs) bands (ev): -21.7746 -21.7746 -14.8667 -14.8667 -14.6880 -14.6880 -13.5487 -13.5487 -13.4338 -13.4338 -13.2784 -13.2784 -13.2273 -13.2273 -12.8407 -12.8407 -12.7502 -12.7502 -8.3393 -8.3393 -6.3550 -6.3550 -6.2955 -6.2955 -3.2511 -3.2511 -2.8241 -2.8241 -1.7517 -1.7517 -0.8144 -0.8144 -0.6510 -0.6510 -0.4812 -0.4812 -0.2628 -0.2628 -0.2185 -0.2185 0.6555 0.6555 0.8394 0.8394 0.9115 0.9115 1.4163 1.4163 1.5567 1.5567 1.8792 1.8792 1.9487 1.9487 2.2259 2.2259 2.2531 2.2531 2.3246 2.3246 3.0262 3.0262 3.1610 3.1610 3.2385 3.2385 3.2999 3.2999 3.4609 3.4609 3.5010 3.5010 9.2809 9.2809 10.2512 10.2512 10.3994 10.3994 10.5052 10.5052 11.3013 11.3013 11.6120 11.6120 12.4458 12.4458 k = 0.1583 0.2742-0.0000 ( 6937 PWs) bands (ev): -21.7749 -21.7749 -14.8783 -14.8783 -14.6972 -14.6972 -13.5297 -13.5297 -13.4164 -13.4164 -13.2778 -13.2778 -13.2266 -13.2266 -12.8439 -12.8439 -12.7516 -12.7516 -8.3400 -8.3400 -6.3537 -6.3537 -6.2984 -6.2984 -3.2938 -3.2938 -2.8645 -2.8645 -1.7481 -1.7481 -0.7842 -0.7842 -0.6456 -0.6456 -0.4681 -0.4681 -0.2896 -0.2896 -0.2424 -0.2424 0.6392 0.6392 0.8466 0.8466 0.9103 0.9103 1.4608 1.4608 1.5837 1.5837 1.8866 1.8866 1.9522 1.9522 2.2272 2.2272 2.2541 2.2541 2.3251 2.3251 3.0535 3.0535 3.1855 3.1855 3.2456 3.2456 3.3071 3.3071 3.4653 3.4653 3.4954 3.4954 9.2329 9.2329 10.2058 10.2058 10.4099 10.4099 10.5150 10.5150 11.2886 11.2886 11.6352 11.6352 12.4487 12.4487 k = 0.1500 0.2598-0.0000 ( 6945 PWs) bands (ev): -21.7752 -21.7752 -14.8896 -14.8896 -14.7064 -14.7064 -13.5103 -13.5103 -13.3992 -13.3992 -13.2771 -13.2771 -13.2259 -13.2259 -12.8469 -12.8469 -12.7534 -12.7534 -8.3407 -8.3407 -6.3523 -6.3523 -6.3013 -6.3013 -3.3356 -3.3356 -2.9040 -2.9040 -1.7454 -1.7454 -0.7553 -0.7553 -0.6405 -0.6405 -0.4559 -0.4559 -0.3156 -0.3156 -0.2655 -0.2655 0.6234 0.6234 0.8532 0.8532 0.9089 0.9089 1.5062 1.5062 1.6116 1.6116 1.8942 1.8942 1.9559 1.9559 2.2288 2.2288 2.2549 2.2549 2.3257 2.3257 3.0799 3.0799 3.2069 3.2069 3.2552 3.2552 3.3152 3.3152 3.4688 3.4688 3.4904 3.4904 9.1820 9.1820 10.1642 10.1642 10.4222 10.4222 10.5263 10.5263 11.2770 11.2770 11.6583 11.6583 12.4482 12.4482 k = 0.1417 0.2454-0.0000 ( 6945 PWs) bands (ev): -21.7756 -21.7756 -14.9004 -14.9004 -14.7155 -14.7155 -13.4908 -13.4908 -13.3825 -13.3825 -13.2764 -13.2764 -13.2252 -13.2252 -12.8498 -12.8498 -12.7554 -12.7554 -8.3415 -8.3415 -6.3508 -6.3508 -6.3042 -6.3042 -3.3761 -3.3761 -2.9424 -2.9424 -1.7435 -1.7435 -0.7278 -0.7278 -0.6359 -0.6359 -0.4455 -0.4455 -0.3400 -0.3400 -0.2876 -0.2876 0.6081 0.6081 0.8591 0.8591 0.9074 0.9074 1.5519 1.5519 1.6403 1.6403 1.9018 1.9018 1.9595 1.9595 2.2307 2.2307 2.2556 2.2556 2.3264 2.3264 3.1052 3.1052 3.2237 3.2237 3.2684 3.2684 3.3242 3.3242 3.4708 3.4708 3.4867 3.4867 9.1287 9.1287 10.1269 10.1269 10.4358 10.4358 10.5390 10.5390 11.2670 11.2670 11.6810 11.6810 12.4440 12.4440 k = 0.1333 0.2309-0.0000 ( 6941 PWs) bands (ev): -21.7759 -21.7759 -14.9109 -14.9109 -14.7246 -14.7246 -13.4712 -13.4712 -13.3661 -13.3661 -13.2756 -13.2756 -13.2246 -13.2246 -12.8526 -12.8526 -12.7578 -12.7578 -8.3422 -8.3422 -6.3494 -6.3494 -6.3072 -6.3072 -3.4152 -3.4152 -2.9794 -2.9794 -1.7423 -1.7423 -0.7017 -0.7017 -0.6316 -0.6316 -0.4383 -0.4383 -0.3609 -0.3609 -0.3087 -0.3087 0.5934 0.5934 0.8643 0.8643 0.9057 0.9057 1.5975 1.5975 1.6695 1.6695 1.9095 1.9095 1.9631 1.9631 2.2330 2.2330 2.2560 2.2560 2.3271 2.3271 3.1292 3.1292 3.2359 3.2359 3.2852 3.2852 3.3342 3.3342 3.4700 3.4700 3.4856 3.4856 9.0736 9.0736 10.0936 10.0936 10.4503 10.4503 10.5526 10.5526 11.2589 11.2589 11.7032 11.7032 12.4354 12.4354 k = 0.1250 0.2165-0.0000 ( 6949 PWs) bands (ev): -21.7763 -21.7763 -14.9209 -14.9209 -14.7335 -14.7335 -13.4516 -13.4516 -13.3503 -13.3503 -13.2748 -13.2748 -13.2241 -13.2241 -12.8553 -12.8553 -12.7606 -12.7606 -8.3429 -8.3429 -6.3479 -6.3479 -6.3100 -6.3100 -3.4528 -3.4528 -3.0151 -3.0151 -1.7417 -1.7417 -0.6771 -0.6771 -0.6278 -0.6278 -0.4380 -0.4380 -0.3748 -0.3748 -0.3286 -0.3286 0.5793 0.5793 0.8688 0.8688 0.9039 0.9039 1.6422 1.6422 1.6990 1.6990 1.9171 1.9171 1.9666 1.9666 2.2357 2.2357 2.2563 2.2563 2.3278 2.3278 3.1517 3.1517 3.2450 3.2450 3.3034 3.3034 3.3455 3.3455 3.4667 3.4667 3.4870 3.4870 9.0177 9.0177 10.0642 10.0642 10.4656 10.4656 10.5669 10.5669 11.2531 11.2531 11.7247 11.7247 12.4221 12.4221 k = 0.1167 0.2021-0.0000 ( 6945 PWs) bands (ev): -21.7766 -21.7766 -14.9304 -14.9304 -14.7421 -14.7421 -13.4323 -13.4323 -13.3351 -13.3351 -13.2739 -13.2739 -13.2236 -13.2236 -12.8579 -12.8579 -12.7636 -12.7636 -8.3436 -8.3436 -6.3465 -6.3465 -6.3128 -6.3128 -3.4887 -3.4887 -3.0491 -3.0491 -1.7416 -1.7416 -0.6543 -0.6543 -0.6239 -0.6239 -0.4475 -0.4475 -0.3785 -0.3785 -0.3472 -0.3472 0.5660 0.5660 0.8725 0.8725 0.9021 0.9021 1.6854 1.6854 1.7288 1.7288 1.9246 1.9246 1.9701 1.9701 2.2390 2.2390 2.2565 2.2565 2.3286 2.3286 3.1726 3.1726 3.2524 3.2524 3.3213 3.3213 3.3583 3.3583 3.4623 3.4623 3.4894 3.4894 8.9616 8.9616 10.0383 10.0383 10.4812 10.4812 10.5818 10.5818 11.2501 11.2501 11.7455 11.7455 12.4038 12.4038 k = 0.1083 0.1876-0.0000 ( 6931 PWs) bands (ev): -21.7769 -21.7769 -14.9394 -14.9394 -14.7504 -14.7504 -13.4133 -13.4133 -13.3206 -13.3206 -13.2731 -13.2731 -13.2231 -13.2231 -12.8603 -12.8603 -12.7669 -12.7669 -8.3443 -8.3443 -6.3451 -6.3451 -6.3155 -6.3155 -3.5228 -3.5228 -3.0813 -3.0813 -1.7419 -1.7419 -0.6348 -0.6348 -0.6187 -0.6187 -0.4639 -0.4639 -0.3760 -0.3760 -0.3635 -0.3635 0.5535 0.5535 0.8756 0.8756 0.9002 0.9002 1.7262 1.7262 1.7586 1.7586 1.9319 1.9319 1.9735 1.9735 2.2426 2.2426 2.2567 2.2567 2.3293 2.3293 3.1918 3.1918 3.2591 3.2591 3.3377 3.3377 3.3725 3.3725 3.4577 3.4577 3.4923 3.4923 8.9062 8.9062 10.0156 10.0156 10.4969 10.4969 10.5967 10.5967 11.2502 11.2502 11.7654 11.7654 12.3803 12.3803 k = 0.1000 0.1732-0.0000 ( 6925 PWs) bands (ev): -21.7772 -21.7772 -14.9478 -14.9478 -14.7584 -14.7584 -13.3947 -13.3947 -13.3068 -13.3068 -13.2722 -13.2722 -13.2227 -13.2227 -12.8626 -12.8626 -12.7704 -12.7704 -8.3450 -8.3450 -6.3437 -6.3437 -6.3182 -6.3182 -3.5550 -3.5550 -3.1117 -3.1117 -1.7425 -1.7425 -0.6245 -0.6245 -0.6063 -0.6063 -0.4825 -0.4825 -0.3831 -0.3831 -0.3660 -0.3660 0.5418 0.5418 0.8781 0.8781 0.8984 0.8984 1.7639 1.7639 1.7885 1.7885 1.9390 1.9390 1.9769 1.9769 2.2462 2.2462 2.2575 2.2575 2.3300 2.3300 3.2093 3.2093 3.2653 3.2653 3.3521 3.3521 3.3880 3.3880 3.4531 3.4531 3.4955 3.4955 8.8520 8.8520 9.9957 9.9957 10.5125 10.5125 10.6116 10.6116 11.2538 11.2538 11.7844 11.7844 12.3518 12.3518 k = 0.0917 0.1588-0.0000 ( 6913 PWs) bands (ev): -21.7775 -21.7775 -14.9557 -14.9557 -14.7659 -14.7659 -13.3769 -13.3769 -13.2939 -13.2939 -13.2713 -13.2713 -13.2223 -13.2223 -12.8648 -12.8648 -12.7741 -12.7741 -8.3456 -8.3456 -6.3423 -6.3423 -6.3206 -6.3206 -3.5851 -3.5851 -3.1401 -3.1401 -1.7434 -1.7434 -0.6210 -0.6210 -0.5892 -0.5892 -0.5011 -0.5011 -0.3974 -0.3974 -0.3593 -0.3593 0.5310 0.5310 0.8800 0.8800 0.8967 0.8967 1.7977 1.7977 1.8185 1.8185 1.9457 1.9457 1.9802 1.9802 2.2484 2.2484 2.2603 2.2603 2.3308 2.3308 3.2251 3.2251 3.2711 3.2711 3.3646 3.3646 3.4040 3.4040 3.4488 3.4488 3.4989 3.4989 8.7998 8.7998 9.9782 9.9782 10.5276 10.5276 10.6259 10.6259 11.2613 11.2613 11.8024 11.8024 12.3187 12.3187 k = 0.0833 0.1443-0.0000 ( 6905 PWs) bands (ev): -21.7778 -21.7778 -14.9629 -14.9629 -14.7729 -14.7729 -13.3598 -13.3598 -13.2819 -13.2819 -13.2704 -13.2704 -13.2219 -13.2219 -12.8668 -12.8668 -12.7779 -12.7779 -8.3462 -8.3462 -6.3410 -6.3410 -6.3230 -6.3230 -3.6130 -3.6130 -3.1665 -3.1665 -1.7445 -1.7445 -0.6190 -0.6190 -0.5728 -0.5728 -0.5185 -0.5185 -0.4108 -0.4108 -0.3520 -0.3520 0.5211 0.5211 0.8815 0.8815 0.8951 0.8951 1.8275 1.8275 1.8479 1.8479 1.9522 1.9522 1.9834 1.9834 2.2488 2.2488 2.2657 2.2657 2.3315 2.3315 3.2392 3.2392 3.2767 3.2767 3.3756 3.3756 3.4197 3.4197 3.4448 3.4448 3.5026 3.5026 8.7502 8.7502 9.9630 9.9630 10.5420 10.5420 10.6395 10.6395 11.2729 11.2729 11.8192 11.8192 12.2812 12.2812 k = 0.0750 0.1299-0.0000 ( 6913 PWs) bands (ev): -21.7781 -21.7781 -14.9695 -14.9695 -14.7793 -14.7793 -13.3436 -13.3436 -13.2712 -13.2712 -13.2692 -13.2692 -13.2216 -13.2216 -12.8686 -12.8686 -12.7818 -12.7818 -8.3468 -8.3468 -6.3398 -6.3398 -6.3252 -6.3252 -3.6386 -3.6386 -3.1906 -3.1906 -1.7457 -1.7457 -0.6177 -0.6177 -0.5597 -0.5597 -0.5327 -0.5327 -0.4229 -0.4229 -0.3451 -0.3451 0.5121 0.5121 0.8825 0.8825 0.8936 0.8936 1.8541 1.8541 1.8752 1.8752 1.9582 1.9582 1.9866 1.9866 2.2479 2.2479 2.2730 2.2730 2.3322 2.3322 3.2517 3.2517 3.2819 3.2819 3.3849 3.3849 3.4336 3.4336 3.4423 3.4423 3.5066 3.5066 8.7037 8.7037 9.9498 9.9498 10.5555 10.5555 10.6522 10.6522 11.2887 11.2887 11.8349 11.8349 12.2402 12.2402 k = 0.0667 0.1155-0.0000 ( 6905 PWs) bands (ev): -21.7783 -21.7783 -14.9755 -14.9755 -14.7852 -14.7852 -13.3286 -13.3286 -13.2688 -13.2688 -13.2607 -13.2607 -13.2213 -13.2213 -12.8702 -12.8702 -12.7856 -12.7856 -8.3473 -8.3473 -6.3387 -6.3387 -6.3272 -6.3272 -3.6618 -3.6618 -3.2124 -3.2124 -1.7469 -1.7469 -0.6168 -0.6168 -0.5590 -0.5590 -0.5348 -0.5348 -0.4336 -0.4336 -0.3387 -0.3387 0.5041 0.5041 0.8830 0.8830 0.8923 0.8923 1.8781 1.8781 1.8994 1.8994 1.9639 1.9639 1.9899 1.9899 2.2464 2.2464 2.2814 2.2814 2.3328 2.3328 3.2628 3.2628 3.2869 3.2869 3.3927 3.3927 3.4363 3.4363 3.4505 3.4505 3.5110 3.5110 8.6608 8.6608 9.9384 9.9384 10.5677 10.5677 10.6637 10.6637 11.3085 11.3085 11.8493 11.8493 12.1965 12.1965 k = 0.0583 0.1010-0.0000 ( 6895 PWs) bands (ev): -21.7785 -21.7785 -14.9808 -14.9808 -14.7905 -14.7905 -13.3148 -13.3148 -13.2680 -13.2680 -13.2518 -13.2518 -13.2210 -13.2210 -12.8717 -12.8717 -12.7894 -12.7894 -8.3478 -8.3478 -6.3377 -6.3377 -6.3290 -6.3290 -3.6826 -3.6826 -3.2319 -3.2319 -1.7482 -1.7482 -0.6161 -0.6161 -0.5697 -0.5697 -0.5256 -0.5256 -0.4426 -0.4426 -0.3329 -0.3329 0.4970 0.4970 0.8833 0.8833 0.8912 0.8912 1.8996 1.8996 1.9198 1.9198 1.9693 1.9693 1.9932 1.9932 2.2446 2.2446 2.2904 2.2904 2.3335 2.3335 3.2724 3.2724 3.2916 3.2916 3.3988 3.3988 3.4339 3.4339 3.4629 3.4629 3.5156 3.5156 8.6220 8.6220 9.9286 9.9286 10.5786 10.5786 10.6742 10.6742 11.3320 11.3320 11.8622 11.8622 12.1510 12.1510 k = 0.0500 0.0866-0.0000 ( 6893 PWs) bands (ev): -21.7787 -21.7787 -14.9855 -14.9855 -14.7951 -14.7951 -13.3025 -13.3025 -13.2672 -13.2672 -13.2441 -13.2441 -13.2207 -13.2207 -12.8730 -12.8730 -12.7929 -12.7929 -8.3482 -8.3482 -6.3368 -6.3368 -6.3306 -6.3306 -3.7007 -3.7007 -3.2489 -3.2489 -1.7493 -1.7493 -0.6157 -0.6157 -0.5810 -0.5810 -0.5161 -0.5161 -0.4500 -0.4500 -0.3279 -0.3279 0.4909 0.4909 0.8832 0.8832 0.8903 0.8903 1.9185 1.9185 1.9363 1.9363 1.9742 1.9742 1.9968 1.9968 2.2426 2.2426 2.2995 2.2995 2.3342 2.3342 3.2805 3.2805 3.2960 3.2960 3.4032 3.4032 3.4319 3.4319 3.4743 3.4743 3.5203 3.5203 8.5876 8.5876 9.9203 9.9203 10.5879 10.5879 10.6834 10.6834 11.3585 11.3585 11.8736 11.8736 12.1050 12.1050 k = 0.0417 0.0722-0.0000 ( 6887 PWs) bands (ev): -21.7789 -21.7789 -14.9894 -14.9894 -14.7991 -14.7991 -13.2918 -13.2918 -13.2665 -13.2665 -13.2376 -13.2376 -13.2204 -13.2204 -12.8741 -12.8741 -12.7961 -12.7961 -8.3485 -8.3485 -6.3360 -6.3360 -6.3319 -6.3319 -3.7162 -3.7162 -3.2634 -3.2634 -1.7504 -1.7504 -0.6155 -0.6155 -0.5911 -0.5911 -0.5083 -0.5083 -0.4555 -0.4555 -0.3236 -0.3236 0.4857 0.4857 0.8830 0.8830 0.8897 0.8897 1.9347 1.9347 1.9490 1.9490 1.9789 1.9789 2.0004 2.0004 2.2405 2.2405 2.3081 2.3081 2.3349 2.3349 3.2872 3.2872 3.3000 3.3000 3.4060 3.4060 3.4304 3.4304 3.4842 3.4842 3.5248 3.5248 8.5579 8.5579 9.9134 9.9134 10.5956 10.5956 10.6915 10.6915 11.3871 11.3871 11.8831 11.8831 12.0598 12.0598 k = 0.0333 0.0577-0.0000 ( 6895 PWs) bands (ev): -21.7790 -21.7790 -14.9926 -14.9926 -14.8024 -14.8024 -13.2829 -13.2829 -13.2658 -13.2658 -13.2324 -13.2324 -13.2198 -13.2198 -12.8750 -12.8750 -12.7990 -12.7990 -8.3488 -8.3488 -6.3353 -6.3353 -6.3331 -6.3331 -3.7290 -3.7290 -3.2753 -3.2753 -1.7513 -1.7513 -0.6153 -0.6153 -0.5995 -0.5995 -0.5028 -0.5028 -0.4589 -0.4589 -0.3201 -0.3201 0.4815 0.4815 0.8826 0.8826 0.8892 0.8892 1.9478 1.9478 1.9582 1.9582 1.9832 1.9832 2.0041 2.0041 2.2386 2.2386 2.3158 2.3158 2.3359 2.3359 3.2925 3.2925 3.3038 3.3038 3.4075 3.4075 3.4296 3.4296 3.4924 3.4924 3.5289 3.5289 8.5332 8.5332 9.9079 9.9079 10.6017 10.6017 10.6983 10.6983 11.4165 11.4165 11.8902 11.8902 12.0175 12.0175 k = 0.0250 0.0433-0.0000 ( 6911 PWs) bands (ev): -21.7791 -21.7791 -14.9952 -14.9952 -14.8050 -14.8050 -13.2761 -13.2761 -13.2649 -13.2649 -13.2287 -13.2287 -13.2191 -13.2191 -12.8757 -12.8757 -12.8013 -12.8013 -8.3491 -8.3491 -6.3348 -6.3348 -6.3340 -6.3340 -3.7389 -3.7389 -3.2846 -3.2846 -1.7520 -1.7520 -0.6153 -0.6153 -0.6061 -0.6061 -0.4996 -0.4996 -0.4605 -0.4605 -0.3174 -0.3174 0.4782 0.4782 0.8823 0.8823 0.8889 0.8889 1.9575 1.9575 1.9645 1.9645 1.9873 1.9873 2.0075 2.0075 2.2368 2.2368 2.3217 2.3217 2.3373 2.3373 3.2963 3.2963 3.3070 3.3070 3.4081 3.4081 3.4292 3.4292 3.4990 3.4990 3.5324 3.5324 8.5138 8.5138 9.9037 9.9037 10.6063 10.6063 10.7038 10.7038 11.4445 11.4445 11.8942 11.8942 11.9810 11.9810 k = 0.0167 0.0289-0.0000 ( 6905 PWs) bands (ev): -21.7792 -21.7792 -14.9970 -14.9970 -14.8068 -14.8068 -13.2717 -13.2717 -13.2638 -13.2638 -13.2265 -13.2265 -13.2182 -13.2182 -12.8762 -12.8762 -12.8030 -12.8030 -8.3492 -8.3492 -6.3347 -6.3347 -6.3344 -6.3344 -3.7461 -3.7461 -3.2913 -3.2913 -1.7526 -1.7526 -0.6155 -0.6155 -0.6106 -0.6106 -0.4981 -0.4981 -0.4607 -0.4607 -0.3154 -0.3154 0.4758 0.4758 0.8820 0.8820 0.8887 0.8887 1.9640 1.9640 1.9686 1.9686 1.9909 1.9909 2.0102 2.0102 2.2354 2.2354 2.3255 2.3255 2.3390 2.3390 3.2990 3.2990 3.3095 3.3095 3.4081 3.4081 3.4291 3.4291 3.5037 3.5037 3.5350 3.5350 8.4997 8.4997 9.9007 9.9007 10.6095 10.6095 10.7078 10.7078 11.4686 11.4686 11.8934 11.8934 11.9545 11.9545 k = 0.0083 0.0144-0.0000 ( 6905 PWs) bands (ev): -21.7792 -21.7792 -14.9981 -14.9981 -14.8079 -14.8079 -13.2695 -13.2695 -13.2626 -13.2626 -13.2253 -13.2253 -13.2174 -13.2174 -12.8765 -12.8765 -12.8041 -12.8041 -8.3493 -8.3493 -6.3350 -6.3350 -6.3342 -6.3342 -3.7504 -3.7504 -3.2954 -3.2954 -1.7529 -1.7529 -0.6161 -0.6161 -0.6129 -0.6129 -0.4976 -0.4976 -0.4605 -0.4605 -0.3143 -0.3143 0.4744 0.4744 0.8818 0.8818 0.8886 0.8886 1.9676 1.9676 1.9709 1.9709 1.9934 1.9934 2.0119 2.0119 2.2346 2.2346 2.3274 2.3274 2.3405 2.3405 3.3005 3.3005 3.3112 3.3112 3.4080 3.4080 3.4291 3.4291 3.5066 3.5066 3.5366 3.5366 8.4913 8.4913 9.8989 9.8989 10.6113 10.6113 10.7102 10.7102 11.4853 11.4853 11.8883 11.8883 11.9410 11.9410 k = 0.0000 0.0000 0.0000 ( 6897 PWs) bands (ev): -21.7793 -21.7793 -14.9984 -14.9984 -14.8083 -14.8083 -13.2689 -13.2689 -13.2621 -13.2621 -13.2250 -13.2250 -13.2171 -13.2171 -12.8766 -12.8766 -12.8044 -12.8044 -8.3494 -8.3494 -6.3351 -6.3351 -6.3341 -6.3341 -3.7518 -3.7518 -3.2967 -3.2967 -1.7530 -1.7530 -0.6165 -0.6165 -0.6134 -0.6134 -0.4975 -0.4975 -0.4603 -0.4603 -0.3139 -0.3139 0.4740 0.4740 0.8817 0.8817 0.8885 0.8885 1.9688 1.9688 1.9716 1.9716 1.9943 1.9943 2.0125 2.0125 2.2342 2.2342 2.3280 2.3280 2.3411 2.3411 3.3009 3.3009 3.3117 3.3117 3.4080 3.4080 3.4291 3.4291 3.5075 3.5075 3.5372 3.5372 8.4885 8.4885 9.8983 9.8983 10.6119 10.6119 10.7111 10.7111 11.4914 11.4914 11.8852 11.8852 11.9375 11.9375 k = 0.0000 0.0000 0.0000 ( 6897 PWs) bands (ev): -21.7793 -21.7793 -14.9984 -14.9984 -14.8083 -14.8083 -13.2689 -13.2689 -13.2621 -13.2621 -13.2250 -13.2250 -13.2171 -13.2171 -12.8766 -12.8766 -12.8044 -12.8044 -8.3494 -8.3494 -6.3351 -6.3351 -6.3341 -6.3341 -3.7518 -3.7518 -3.2967 -3.2967 -1.7530 -1.7530 -0.6165 -0.6165 -0.6134 -0.6134 -0.4975 -0.4975 -0.4603 -0.4603 -0.3139 -0.3139 0.4740 0.4740 0.8817 0.8817 0.8885 0.8885 1.9688 1.9688 1.9716 1.9716 1.9943 1.9943 2.0125 2.0125 2.2342 2.2342 2.3280 2.3280 2.3411 2.3411 3.3009 3.3009 3.3117 3.3117 3.4080 3.4080 3.4291 3.4291 3.5075 3.5075 3.5372 3.5372 8.4885 8.4885 9.8983 9.8983 10.6119 10.6119 10.7111 10.7111 11.4914 11.4914 11.8852 11.8852 11.9375 11.9375 k = 0.0000 0.0000 0.0162 ( 6909 PWs) bands (ev): -21.7793 -21.7793 -14.9984 -14.9984 -14.8083 -14.8083 -13.2689 -13.2689 -13.2620 -13.2620 -13.2250 -13.2250 -13.2171 -13.2171 -12.8765 -12.8765 -12.8044 -12.8044 -8.3494 -8.3494 -6.3351 -6.3351 -6.3341 -6.3341 -3.7521 -3.7521 -3.2963 -3.2963 -1.7538 -1.7538 -0.6169 -0.6169 -0.6139 -0.6139 -0.4970 -0.4970 -0.4599 -0.4599 -0.3139 -0.3139 0.4765 0.4765 0.8826 0.8826 0.8894 0.8894 1.9564 1.9564 1.9829 1.9829 1.9861 1.9861 2.0195 2.0195 2.2318 2.2318 2.3265 2.3265 2.3397 2.3397 3.3019 3.3019 3.3128 3.3128 3.4088 3.4088 3.4297 3.4297 3.5076 3.5076 3.5372 3.5372 8.4911 8.4911 9.8988 9.8988 10.6113 10.6113 10.7105 10.7105 11.4773 11.4773 11.8850 11.8850 11.9373 11.9373 k = 0.0000 0.0000 0.0324 ( 6903 PWs) bands (ev): -21.7793 -21.7793 -14.9983 -14.9983 -14.8084 -14.8084 -13.2688 -13.2688 -13.2619 -13.2619 -13.2251 -13.2251 -13.2172 -13.2172 -12.8765 -12.8765 -12.8045 -12.8045 -8.3494 -8.3494 -6.3352 -6.3352 -6.3341 -6.3341 -3.7530 -3.7530 -3.2951 -3.2951 -1.7564 -1.7564 -0.6181 -0.6181 -0.6152 -0.6152 -0.4956 -0.4956 -0.4585 -0.4585 -0.3138 -0.3138 0.4842 0.4842 0.8853 0.8853 0.8922 0.8922 1.9415 1.9415 1.9715 1.9715 1.9947 1.9947 2.0306 2.0306 2.2244 2.2244 2.3222 2.3222 2.3357 2.3357 3.3048 3.3048 3.3161 3.3161 3.4111 3.4111 3.4317 3.4317 3.5077 3.5077 3.5371 3.5371 8.4988 8.4988 9.9003 9.9003 10.6095 10.6095 10.7087 10.7087 11.4373 11.4373 11.8844 11.8844 11.9368 11.9368 k = 0.0000 0.0000 0.0486 ( 6890 PWs) bands (ev): -21.7793 -21.7793 -14.9982 -14.9982 -14.8086 -14.8086 -13.2686 -13.2686 -13.2618 -13.2618 -13.2253 -13.2253 -13.2174 -13.2174 -12.8764 -12.8764 -12.8045 -12.8045 -8.3493 -8.3493 -6.3352 -6.3352 -6.3340 -6.3340 -3.7545 -3.7545 -3.2930 -3.2930 -1.7605 -1.7605 -0.6200 -0.6200 -0.6173 -0.6173 -0.4933 -0.4933 -0.4564 -0.4564 -0.3138 -0.3138 0.4970 0.4970 0.8898 0.8898 0.8968 0.8968 1.9252 1.9252 1.9547 1.9547 2.0056 2.0056 2.0416 2.0416 2.2122 2.2122 2.3153 2.3153 2.3293 2.3293 3.3090 3.3090 3.3210 3.3210 3.4153 3.4153 3.4352 3.4352 3.5079 3.5079 3.5371 3.5371 8.5117 8.5117 9.9028 9.9028 10.6065 10.6065 10.7057 10.7057 11.3764 11.3764 11.8834 11.8834 11.9359 11.9359 k = 0.0000 0.0000 0.0648 ( 6896 PWs) bands (ev): -21.7793 -21.7793 -14.9981 -14.9981 -14.8088 -14.8088 -13.2684 -13.2684 -13.2616 -13.2616 -13.2255 -13.2255 -13.2176 -13.2176 -12.8763 -12.8763 -12.8045 -12.8045 -8.3493 -8.3493 -6.3352 -6.3352 -6.3339 -6.3339 -3.7565 -3.7565 -3.2903 -3.2903 -1.7661 -1.7661 -0.6226 -0.6226 -0.6200 -0.6200 -0.4904 -0.4904 -0.4536 -0.4536 -0.3138 -0.3138 0.5147 0.5147 0.8961 0.8961 0.9032 0.9032 1.9076 1.9076 1.9360 1.9360 2.0157 2.0157 2.0520 2.0520 2.1952 2.1952 2.3062 2.3062 2.3209 2.3209 3.3140 3.3140 3.3270 3.3270 3.4215 3.4215 3.4405 3.4405 3.5082 3.5082 3.5370 3.5370 8.5297 8.5297 9.9060 9.9060 10.6024 10.6024 10.7017 10.7017 11.3001 11.3001 11.8820 11.8820 11.9348 11.9348 k = 0.0000 0.0000 0.0810 ( 6908 PWs) bands (ev): -21.7793 -21.7793 -14.9979 -14.9979 -14.8090 -14.8090 -13.2681 -13.2681 -13.2613 -13.2613 -13.2258 -13.2258 -13.2179 -13.2179 -12.8761 -12.8761 -12.8045 -12.8045 -8.3493 -8.3493 -6.3352 -6.3352 -6.3338 -6.3338 -3.7589 -3.7589 -3.2869 -3.2869 -1.7731 -1.7731 -0.6256 -0.6256 -0.6232 -0.6232 -0.4868 -0.4868 -0.4501 -0.4501 -0.3140 -0.3140 0.5372 0.5372 0.9041 0.9041 0.9113 0.9113 1.8884 1.8884 1.9157 1.9157 2.0251 2.0251 2.0617 2.0617 2.1737 2.1737 2.2953 2.2953 2.3109 2.3109 3.3192 3.3192 3.3332 3.3332 3.4300 3.4300 3.4480 3.4480 3.5086 3.5086 3.5368 3.5368 8.5527 8.5527 9.9099 9.9099 10.5974 10.5974 10.6967 10.6967 11.2136 11.2136 11.8802 11.8802 11.9334 11.9334 k = 0.0000 0.0000 0.0972 ( 6908 PWs) bands (ev): -21.7793 -21.7793 -14.9977 -14.9977 -14.8094 -14.8094 -13.2678 -13.2678 -13.2609 -13.2609 -13.2262 -13.2262 -13.2182 -13.2182 -12.8760 -12.8760 -12.8046 -12.8046 -8.3492 -8.3492 -6.3352 -6.3352 -6.3337 -6.3337 -3.7617 -3.7617 -3.2830 -3.2830 -1.7811 -1.7811 -0.6291 -0.6291 -0.6269 -0.6269 -0.4828 -0.4828 -0.4462 -0.4462 -0.3142 -0.3142 0.5643 0.5643 0.9137 0.9137 0.9212 0.9212 1.8676 1.8676 1.8935 1.8935 2.0339 2.0339 2.0709 2.0709 2.1478 2.1478 2.2832 2.2832 2.2999 2.2999 3.3238 3.3238 3.3390 3.3390 3.4410 3.4410 3.4578 3.4578 3.5090 3.5090 3.5367 3.5367 8.5805 8.5805 9.9141 9.9141 10.5914 10.5914 10.6908 10.6908 11.1205 11.1205 11.8782 11.8782 11.9319 11.9319 k = 0.0000 0.0000 0.1134 ( 6920 PWs) bands (ev): -21.7793 -21.7793 -14.9974 -14.9974 -14.8097 -14.8097 -13.2674 -13.2674 -13.2606 -13.2606 -13.2266 -13.2266 -13.2186 -13.2186 -12.8758 -12.8758 -12.8046 -12.8046 -8.3491 -8.3491 -6.3352 -6.3352 -6.3336 -6.3336 -3.7648 -3.7648 -3.2787 -3.2787 -1.7900 -1.7900 -0.6328 -0.6328 -0.6307 -0.6307 -0.4785 -0.4785 -0.4420 -0.4420 -0.3147 -0.3147 0.5958 0.5958 0.9250 0.9250 0.9327 0.9327 1.8452 1.8452 1.8697 1.8697 2.0418 2.0418 2.0794 2.0794 2.1180 2.1180 2.2703 2.2703 2.2883 2.2883 3.3276 3.3276 3.3439 3.3439 3.4542 3.4542 3.4700 3.4700 3.5095 3.5095 3.5366 3.5366 8.6131 8.6131 9.9184 9.9184 10.5847 10.5847 10.6842 10.6842 11.0238 11.0238 11.8759 11.8759 11.9302 11.9302 k = 0.0000 0.0000 0.1296 ( 6920 PWs) bands (ev): -21.7793 -21.7793 -14.9972 -14.9972 -14.8101 -14.8101 -13.2670 -13.2670 -13.2601 -13.2601 -13.2270 -13.2270 -13.2191 -13.2191 -12.8755 -12.8755 -12.8047 -12.8047 -8.3491 -8.3491 -6.3352 -6.3352 -6.3335 -6.3335 -3.7681 -3.7681 -3.2740 -3.2740 -1.7995 -1.7995 -0.6367 -0.6367 -0.6347 -0.6347 -0.4741 -0.4741 -0.4376 -0.4376 -0.3153 -0.3153 0.6315 0.6315 0.9379 0.9379 0.9458 0.9458 1.8213 1.8213 1.8442 1.8442 2.0477 2.0477 2.0857 2.0857 2.0874 2.0874 2.2571 2.2571 2.2765 2.2765 3.3304 3.3304 3.3476 3.3476 3.4693 3.4693 3.4844 3.4844 3.5101 3.5101 3.5365 3.5365 8.6502 8.6502 9.9223 9.9223 10.5773 10.5773 10.6769 10.6769 10.9255 10.9255 11.8736 11.8736 11.9284 11.9284 k = 0.0000 0.0000 0.1458 ( 6938 PWs) bands (ev): -21.7792 -21.7792 -14.9969 -14.9969 -14.8105 -14.8105 -13.2665 -13.2665 -13.2597 -13.2597 -13.2275 -13.2275 -13.2196 -13.2196 -12.8753 -12.8753 -12.8047 -12.8047 -8.3490 -8.3490 -6.3352 -6.3352 -6.3334 -6.3334 -3.7716 -3.7716 -3.2692 -3.2692 -1.8094 -1.8094 -0.6407 -0.6407 -0.6387 -0.6387 -0.4696 -0.4696 -0.4330 -0.4330 -0.3161 -0.3161 0.6711 0.6711 0.9522 0.9522 0.9603 0.9603 1.7958 1.7958 1.8172 1.8172 2.0372 2.0372 2.0655 2.0655 2.0949 2.0949 2.2439 2.2439 2.2649 2.2649 3.3323 3.3323 3.3502 3.3502 3.4855 3.4855 3.5002 3.5002 3.5109 3.5109 3.5364 3.5364 8.6917 8.6917 9.9252 9.9252 10.5696 10.5696 10.6692 10.6692 10.8273 10.8273 11.8712 11.8712 11.9266 11.9266 k = 0.0000 0.0000 0.1620 ( 6926 PWs) bands (ev): -21.7792 -21.7792 -14.9966 -14.9966 -14.8109 -14.8109 -13.2660 -13.2660 -13.2592 -13.2592 -13.2280 -13.2280 -13.2201 -13.2201 -12.8751 -12.8751 -12.8048 -12.8048 -8.3489 -8.3489 -6.3352 -6.3352 -6.3332 -6.3332 -3.7750 -3.7750 -3.2642 -3.2642 -1.8195 -1.8195 -0.6446 -0.6446 -0.6426 -0.6426 -0.4651 -0.4651 -0.4285 -0.4285 -0.3170 -0.3170 0.7142 0.7142 0.9678 0.9678 0.9763 0.9763 1.7691 1.7691 1.7889 1.7889 1.9995 1.9995 2.0687 2.0687 2.1020 2.1020 2.2312 2.2312 2.2537 2.2537 3.3335 3.3335 3.3519 3.3519 3.5016 3.5016 3.5124 3.5124 3.5171 3.5171 3.5365 3.5365 8.7375 8.7375 9.9264 9.9264 10.5616 10.5616 10.6612 10.6612 10.7309 10.7309 11.8688 11.8688 11.9249 11.9249 k = 0.0000 0.0000 0.1782 ( 6914 PWs) bands (ev): -21.7792 -21.7792 -14.9963 -14.9963 -14.8114 -14.8114 -13.2655 -13.2655 -13.2587 -13.2587 -13.2285 -13.2285 -13.2206 -13.2206 -12.8748 -12.8748 -12.8048 -12.8048 -8.3489 -8.3489 -6.3352 -6.3352 -6.3331 -6.3331 -3.7785 -3.7785 -3.2593 -3.2593 -1.8294 -1.8294 -0.6484 -0.6484 -0.6464 -0.6464 -0.4608 -0.4608 -0.4241 -0.4241 -0.3182 -0.3182 0.7606 0.7606 0.9846 0.9846 0.9935 0.9935 1.7414 1.7414 1.7596 1.7596 1.9554 1.9554 2.0748 2.0748 2.1086 2.1086 2.2190 2.2190 2.2432 2.2432 3.3341 3.3341 3.3528 3.3528 3.5100 3.5100 3.5212 3.5212 3.5344 3.5344 3.5372 3.5372 8.7873 8.7873 9.9248 9.9248 10.5535 10.5535 10.6371 10.6371 10.6539 10.6539 11.8666 11.8666 11.9232 11.9232 k = 0.0000 0.0000 0.1943 ( 6926 PWs) bands (ev): -21.7792 -21.7792 -14.9960 -14.9960 -14.8118 -14.8118 -13.2650 -13.2650 -13.2581 -13.2581 -13.2290 -13.2290 -13.2211 -13.2211 -12.8746 -12.8746 -12.8049 -12.8049 -8.3488 -8.3488 -6.3352 -6.3352 -6.3330 -6.3330 -3.7818 -3.7818 -3.2545 -3.2545 -1.8391 -1.8391 -0.6521 -0.6521 -0.6500 -0.6500 -0.4567 -0.4567 -0.4198 -0.4198 -0.3194 -0.3194 0.8097 0.8097 1.0023 1.0023 1.0116 1.0116 1.7131 1.7131 1.7296 1.7296 1.9079 1.9079 2.0811 2.0811 2.1147 2.1147 2.2075 2.2075 2.2335 2.2335 3.3343 3.3343 3.3531 3.3531 3.5114 3.5114 3.5317 3.5317 3.5429 3.5429 3.5515 3.5515 8.8409 8.8409 9.9189 9.9189 10.5455 10.5455 10.5495 10.5495 10.6455 10.6455 11.8644 11.8644 11.9216 11.9216 k = 0.0000 0.0000 0.2105 ( 6908 PWs) bands (ev): -21.7792 -21.7792 -14.9957 -14.9957 -14.8122 -14.8122 -13.2644 -13.2644 -13.2576 -13.2576 -13.2296 -13.2296 -13.2216 -13.2216 -12.8744 -12.8744 -12.8049 -12.8049 -8.3487 -8.3487 -6.3352 -6.3352 -6.3328 -6.3328 -3.7850 -3.7850 -3.2500 -3.2500 -1.8483 -1.8483 -0.6555 -0.6555 -0.6534 -0.6534 -0.4528 -0.4528 -0.4158 -0.4158 -0.3207 -0.3207 0.8613 0.8613 1.0208 1.0208 1.0306 1.0306 1.6845 1.6845 1.6995 1.6995 1.8578 1.8578 2.0873 2.0873 2.1204 2.1204 2.1968 2.1968 2.2246 2.2246 3.3342 3.3342 3.3531 3.3531 3.5121 3.5121 3.5336 3.5336 3.5571 3.5571 3.5679 3.5679 8.8981 8.8981 9.9067 9.9067 10.4688 10.4688 10.5378 10.5378 10.6379 10.6379 11.8625 11.8625 11.9202 11.9202 k = 0.0000 0.0000 0.2267 ( 6920 PWs) bands (ev): -21.7792 -21.7792 -14.9954 -14.9954 -14.8126 -14.8126 -13.2639 -13.2639 -13.2571 -13.2571 -13.2301 -13.2301 -13.2221 -13.2221 -12.8741 -12.8741 -12.8050 -12.8050 -8.3486 -8.3486 -6.3352 -6.3352 -6.3327 -6.3327 -3.7879 -3.7879 -3.2458 -3.2458 -1.8569 -1.8569 -0.6586 -0.6586 -0.6564 -0.6564 -0.4493 -0.4493 -0.4122 -0.4122 -0.3220 -0.3220 0.9149 0.9149 1.0397 1.0397 1.0499 1.0499 1.6561 1.6561 1.6697 1.6697 1.8055 1.8055 2.0933 2.0933 2.1256 2.1256 2.1868 2.1868 2.2166 2.2166 3.3339 3.3339 3.3528 3.3528 3.5127 3.5127 3.5339 3.5339 3.5719 3.5719 3.5833 3.5833 8.9586 8.9586 9.8861 9.8861 10.3979 10.3979 10.5306 10.5306 10.6307 10.6307 11.8607 11.8607 11.9189 11.9189 k = 0.0000 0.0000 0.2429 ( 6920 PWs) bands (ev): -21.7792 -21.7792 -14.9951 -14.9951 -14.8130 -14.8130 -13.2635 -13.2635 -13.2566 -13.2566 -13.2306 -13.2306 -13.2226 -13.2226 -12.8739 -12.8739 -12.8050 -12.8050 -8.3486 -8.3486 -6.3352 -6.3352 -6.3326 -6.3326 -3.7905 -3.7905 -3.2419 -3.2419 -1.8646 -1.8646 -0.6614 -0.6614 -0.6591 -0.6591 -0.4461 -0.4461 -0.4089 -0.4089 -0.3232 -0.3232 0.9699 0.9699 1.0585 1.0585 1.0693 1.0693 1.6287 1.6287 1.6409 1.6409 1.7516 1.7516 2.0992 2.0992 2.1305 2.1305 2.1777 2.1777 2.2094 2.2094 3.3335 3.3335 3.3523 3.3523 3.5132 3.5132 3.5339 3.5339 3.5856 3.5856 3.5972 3.5972 9.0222 9.0222 9.8546 9.8546 10.3393 10.3393 10.5240 10.5240 10.6241 10.6241 11.8591 11.8591 11.9178 11.9178 k = 0.0000 0.0000 0.2591 ( 6926 PWs) bands (ev): -21.7792 -21.7792 -14.9949 -14.9949 -14.8133 -14.8133 -13.2630 -13.2630 -13.2562 -13.2562 -13.2310 -13.2310 -13.2231 -13.2231 -12.8738 -12.8738 -12.8051 -12.8051 -8.3485 -8.3485 -6.3352 -6.3352 -6.3325 -6.3325 -3.7928 -3.7928 -3.2386 -3.2386 -1.8713 -1.8713 -0.6638 -0.6638 -0.6615 -0.6615 -0.4434 -0.4434 -0.4060 -0.4060 -0.3244 -0.3244 1.0256 1.0256 1.0768 1.0768 1.0882 1.0882 1.6027 1.6027 1.6137 1.6137 1.6969 1.6969 2.1050 2.1050 2.1348 2.1348 2.1692 2.1692 2.2031 2.2031 3.3331 3.3331 3.3518 3.3518 3.5136 3.5136 3.5338 3.5338 3.5978 3.5978 3.6095 3.6095 9.0885 9.0885 9.8113 9.8113 10.2942 10.2942 10.5181 10.5181 10.6182 10.6182 11.8578 11.8578 11.9168 11.9168 k = 0.0000 0.0000 0.2753 ( 6914 PWs) bands (ev): -21.7792 -21.7792 -14.9947 -14.9947 -14.8136 -14.8136 -13.2626 -13.2626 -13.2558 -13.2558 -13.2314 -13.2314 -13.2234 -13.2234 -12.8736 -12.8736 -12.8051 -12.8051 -8.3485 -8.3485 -6.3352 -6.3352 -6.3324 -6.3324 -3.7948 -3.7948 -3.2358 -3.2358 -1.8770 -1.8770 -0.6659 -0.6659 -0.6634 -0.6634 -0.4411 -0.4411 -0.4036 -0.4036 -0.3254 -0.3254 1.0806 1.0806 1.0945 1.0945 1.1058 1.1058 1.5792 1.5792 1.5891 1.5891 1.6421 1.6421 2.1106 2.1106 2.1387 2.1387 2.1614 2.1614 2.1978 2.1978 3.3326 3.3326 3.3513 3.3513 3.5140 3.5140 3.5337 3.5337 3.6080 3.6080 3.6198 3.6198 9.1569 9.1569 9.7572 9.7572 10.2621 10.2621 10.5131 10.5131 10.6132 10.6132 11.8567 11.8567 11.9160 11.9160 k = 0.0000 0.0000 0.2915 ( 6890 PWs) bands (ev): -21.7792 -21.7792 -14.9946 -14.9946 -14.8138 -14.8138 -13.2623 -13.2623 -13.2555 -13.2555 -13.2317 -13.2317 -13.2238 -13.2238 -12.8735 -12.8735 -12.8051 -12.8051 -8.3484 -8.3484 -6.3352 -6.3352 -6.3324 -6.3324 -3.7963 -3.7963 -3.2336 -3.2336 -1.8815 -1.8815 -0.6675 -0.6675 -0.6649 -0.6649 -0.4393 -0.4393 -0.4017 -0.4017 -0.3263 -0.3263 1.1079 1.1079 1.1213 1.1213 1.1360 1.1360 1.5587 1.5587 1.5681 1.5681 1.5893 1.5893 2.1162 2.1162 2.1420 2.1420 2.1543 2.1543 2.1934 2.1934 3.3322 3.3322 3.3508 3.3508 3.5143 3.5143 3.5335 3.5335 3.6162 3.6162 3.6281 3.6281 9.2267 9.2267 9.6949 9.6949 10.2408 10.2408 10.5091 10.5091 10.6093 10.6093 11.8559 11.8559 11.9154 11.9154 k = 0.0000 0.0000 0.3077 ( 6902 PWs) bands (ev): -21.7792 -21.7792 -14.9944 -14.9944 -14.8140 -14.8140 -13.2621 -13.2621 -13.2553 -13.2553 -13.2319 -13.2319 -13.2240 -13.2240 -12.8734 -12.8734 -12.8052 -12.8052 -8.3484 -8.3484 -6.3352 -6.3352 -6.3323 -6.3323 -3.7974 -3.7974 -3.2319 -3.2319 -1.8847 -1.8847 -0.6686 -0.6686 -0.6660 -0.6660 -0.4380 -0.4380 -0.4003 -0.4003 -0.3269 -0.3269 1.1198 1.1198 1.1335 1.1335 1.1850 1.1850 1.5359 1.5359 1.5479 1.5479 1.5518 1.5518 2.1216 2.1216 2.1445 2.1445 2.1477 2.1477 2.1900 2.1900 3.3319 3.3319 3.3505 3.3505 3.5145 3.5145 3.5334 3.5334 3.6221 3.6221 3.6340 3.6340 9.2962 9.2962 9.6289 9.6289 10.2277 10.2277 10.5062 10.5062 10.6064 10.6064 11.8553 11.8553 11.9150 11.9150 k = 0.0000 0.0000 0.3239 ( 6908 PWs) bands (ev): -21.7792 -21.7792 -14.9944 -14.9944 -14.8140 -14.8140 -13.2619 -13.2619 -13.2551 -13.2551 -13.2321 -13.2321 -13.2241 -13.2241 -12.8733 -12.8733 -12.8052 -12.8052 -8.3484 -8.3484 -6.3352 -6.3352 -6.3323 -6.3323 -3.7981 -3.7981 -3.2309 -3.2309 -1.8867 -1.8867 -0.6693 -0.6693 -0.6667 -0.6667 -0.4372 -0.4372 -0.3995 -0.3995 -0.3273 -0.3273 1.1274 1.1274 1.1414 1.1414 1.2231 1.2231 1.5007 1.5007 1.5354 1.5354 1.5414 1.5414 2.1267 2.1267 2.1419 2.1419 2.1462 2.1462 2.1879 2.1879 3.3318 3.3318 3.3502 3.3502 3.5147 3.5147 3.5334 3.5334 3.6257 3.6257 3.6377 3.6377 9.3600 9.3600 9.5663 9.5663 10.2207 10.2207 10.5044 10.5044 10.6046 10.6046 11.8549 11.8549 11.9147 11.9147 k = 0.0000 0.0000 0.3401 ( 6896 PWs) bands (ev): -21.7792 -21.7792 -14.9943 -14.9943 -14.8141 -14.8141 -13.2619 -13.2619 -13.2551 -13.2551 -13.2321 -13.2321 -13.2242 -13.2242 -12.8733 -12.8733 -12.8052 -12.8052 -8.3484 -8.3484 -6.3352 -6.3352 -6.3323 -6.3323 -3.7983 -3.7983 -3.2306 -3.2306 -1.8874 -1.8874 -0.6695 -0.6695 -0.6669 -0.6669 -0.4369 -0.4369 -0.3992 -0.3992 -0.3274 -0.3274 1.1300 1.1300 1.1441 1.1441 1.2384 1.2384 1.4857 1.4857 1.5318 1.5318 1.5379 1.5379 2.1296 2.1296 2.1388 2.1388 2.1468 2.1468 2.1871 2.1871 3.3317 3.3317 3.3502 3.3502 3.5147 3.5147 3.5334 3.5334 3.6269 3.6269 3.6389 3.6389 9.3938 9.3938 9.5328 9.5328 10.2185 10.2185 10.5038 10.5038 10.6040 10.6040 11.8548 11.8548 11.9146 11.9146 k = 0.0000 0.0000 0.3401 ( 6896 PWs) bands (ev): -21.7792 -21.7792 -14.9943 -14.9943 -14.8141 -14.8141 -13.2619 -13.2619 -13.2551 -13.2551 -13.2321 -13.2321 -13.2242 -13.2242 -12.8733 -12.8733 -12.8052 -12.8052 -8.3484 -8.3484 -6.3352 -6.3352 -6.3323 -6.3323 -3.7983 -3.7983 -3.2306 -3.2306 -1.8874 -1.8874 -0.6695 -0.6695 -0.6669 -0.6669 -0.4369 -0.4369 -0.3992 -0.3992 -0.3274 -0.3274 1.1300 1.1300 1.1441 1.1441 1.2384 1.2384 1.4857 1.4857 1.5318 1.5318 1.5379 1.5379 2.1296 2.1296 2.1388 2.1388 2.1468 2.1468 2.1871 2.1871 3.3317 3.3317 3.3502 3.3502 3.5147 3.5147 3.5334 3.5334 3.6269 3.6269 3.6389 3.6389 9.3938 9.3938 9.5328 9.5328 10.2185 10.2185 10.5038 10.5038 10.6040 10.6040 11.8548 11.8548 11.9146 11.9146 k = 0.0143 0.0082 0.3401 ( 6904 PWs) bands (ev): -21.7792 -21.7792 -14.9939 -14.9939 -14.8138 -14.8138 -13.2623 -13.2623 -13.2555 -13.2555 -13.2327 -13.2327 -13.2247 -13.2247 -12.8732 -12.8732 -12.8048 -12.8048 -8.3484 -8.3484 -6.3351 -6.3351 -6.3323 -6.3323 -3.7969 -3.7969 -3.2293 -3.2293 -1.8870 -1.8870 -0.6692 -0.6692 -0.6664 -0.6664 -0.4370 -0.4370 -0.3993 -0.3993 -0.3281 -0.3281 1.1298 1.1298 1.1439 1.1439 1.2385 1.2385 1.4855 1.4855 1.5320 1.5320 1.5380 1.5380 2.1287 2.1287 2.1374 2.1374 2.1466 2.1466 2.1864 2.1864 3.3318 3.3318 3.3503 3.3503 3.5133 3.5133 3.5322 3.5322 3.6269 3.6269 3.6389 3.6389 9.3953 9.3953 9.5340 9.5340 10.2198 10.2198 10.5037 10.5037 10.6039 10.6039 11.8540 11.8540 11.9138 11.9138 k = 0.0286 0.0165 0.3401 ( 6910 PWs) bands (ev): -21.7792 -21.7792 -14.9927 -14.9927 -14.8129 -14.8129 -13.2635 -13.2635 -13.2564 -13.2564 -13.2347 -13.2347 -13.2258 -13.2258 -12.8728 -12.8728 -12.8036 -12.8036 -8.3483 -8.3483 -6.3348 -6.3348 -6.3325 -6.3325 -3.7929 -3.7929 -3.2252 -3.2252 -1.8861 -1.8861 -0.6692 -0.6692 -0.6639 -0.6639 -0.4373 -0.4373 -0.3994 -0.3994 -0.3301 -0.3301 1.1292 1.1292 1.1434 1.1434 1.2385 1.2385 1.4851 1.4851 1.5325 1.5325 1.5385 1.5385 2.1260 2.1260 2.1337 2.1337 2.1459 2.1459 2.1842 2.1842 3.3320 3.3320 3.3505 3.3505 3.5090 3.5090 3.5285 3.5285 3.6267 3.6267 3.6390 3.6390 9.4001 9.4001 9.5374 9.5374 10.2237 10.2237 10.5034 10.5034 10.6037 10.6037 11.8517 11.8517 11.9113 11.9113 k = 0.0429 0.0247 0.3401 ( 6906 PWs) bands (ev): -21.7791 -21.7791 -14.9906 -14.9906 -14.8115 -14.8115 -13.2661 -13.2661 -13.2575 -13.2575 -13.2389 -13.2389 -13.2268 -13.2268 -12.8722 -12.8722 -12.8017 -12.8017 -8.3481 -8.3481 -6.3342 -6.3342 -6.3329 -6.3329 -3.7861 -3.7861 -3.2184 -3.2184 -1.8844 -1.8844 -0.6698 -0.6698 -0.6591 -0.6591 -0.4384 -0.4384 -0.3992 -0.3992 -0.3333 -0.3333 1.1282 1.1282 1.1425 1.1425 1.2387 1.2387 1.4843 1.4843 1.5332 1.5332 1.5393 1.5393 2.1205 2.1205 2.1286 2.1286 2.1445 2.1445 2.1809 2.1809 3.3324 3.3324 3.3510 3.3510 3.5022 3.5022 3.5225 3.5225 3.6259 3.6259 3.6395 3.6395 9.4078 9.4078 9.5431 9.5431 10.2303 10.2303 10.5026 10.5026 10.6039 10.6039 11.8478 11.8478 11.9071 11.9071 k = 0.0571 0.0330 0.3401 ( 6902 PWs) bands (ev): -21.7790 -21.7790 -14.9876 -14.9876 -14.8095 -14.8095 -13.2701 -13.2701 -13.2585 -13.2585 -13.2454 -13.2454 -13.2274 -13.2274 -12.8714 -12.8714 -12.7992 -12.7992 -8.3479 -8.3479 -6.3337 -6.3337 -6.3330 -6.3330 -3.7767 -3.7767 -3.2090 -3.2090 -1.8822 -1.8822 -0.6709 -0.6709 -0.6522 -0.6522 -0.4408 -0.4408 -0.3979 -0.3979 -0.3377 -0.3377 1.1266 1.1266 1.1414 1.1414 1.2388 1.2388 1.4832 1.4832 1.5340 1.5340 1.5406 1.5406 2.1119 2.1119 2.1223 2.1223 2.1422 2.1422 2.1769 2.1769 3.3327 3.3327 3.3518 3.3518 3.4930 3.4930 3.5141 3.5141 3.6242 3.6242 3.6406 3.6406 9.4185 9.4185 9.5510 9.5510 10.2396 10.2396 10.5008 10.5008 10.6049 10.6049 11.8425 11.8425 11.9014 11.9014 k = 0.0714 0.0412 0.3401 ( 6898 PWs) bands (ev): -21.7789 -21.7789 -14.9839 -14.9839 -14.8069 -14.8069 -13.2756 -13.2756 -13.2597 -13.2597 -13.2536 -13.2536 -13.2278 -13.2278 -12.8703 -12.8703 -12.7961 -12.7961 -8.3476 -8.3476 -6.3342 -6.3342 -6.3321 -6.3321 -3.7646 -3.7646 -3.1970 -3.1970 -1.8794 -1.8794 -0.6724 -0.6724 -0.6434 -0.6434 -0.4451 -0.4451 -0.3950 -0.3950 -0.3432 -0.3432 1.1243 1.1243 1.1402 1.1402 1.2389 1.2389 1.4816 1.4816 1.5348 1.5348 1.5423 1.5423 2.1007 2.1007 2.1144 2.1144 2.1392 2.1392 2.1725 2.1725 3.3329 3.3329 3.3530 3.3530 3.4819 3.4819 3.5034 3.5034 3.6213 3.6213 3.6421 3.6421 9.4318 9.4318 9.5610 9.5610 10.2517 10.2517 10.4976 10.4976 10.6074 10.6074 11.8357 11.8357 11.8943 11.8943 k = 0.0857 0.0495 0.3401 ( 6900 PWs) bands (ev): -21.7787 -21.7787 -14.9793 -14.9793 -14.8038 -14.8038 -13.2825 -13.2825 -13.2654 -13.2654 -13.2592 -13.2592 -13.2281 -13.2281 -12.8691 -12.8691 -12.7925 -12.7925 -8.3473 -8.3473 -6.3349 -6.3349 -6.3308 -6.3308 -3.7499 -3.7499 -3.1823 -3.1823 -1.8760 -1.8760 -0.6744 -0.6744 -0.6326 -0.6326 -0.4517 -0.4517 -0.3904 -0.3904 -0.3497 -0.3497 1.1213 1.1213 1.1390 1.1390 1.2390 1.2390 1.4794 1.4794 1.5354 1.5354 1.5444 1.5444 2.0875 2.0875 2.1043 2.1043 2.1356 2.1356 2.1682 2.1682 3.3329 3.3329 3.3545 3.3545 3.4690 3.4690 3.4906 3.4906 3.6175 3.6175 3.6438 3.6438 9.4475 9.4475 9.5731 9.5731 10.2665 10.2665 10.4927 10.4927 10.6119 10.6119 11.8277 11.8277 11.8859 11.8859 k = 0.1000 0.0577 0.3401 ( 6912 PWs) bands (ev): -21.7785 -21.7785 -14.9740 -14.9740 -14.8002 -14.8002 -13.2906 -13.2906 -13.2771 -13.2771 -13.2604 -13.2604 -13.2283 -13.2283 -12.8675 -12.8675 -12.7887 -12.7887 -8.3469 -8.3469 -6.3358 -6.3358 -6.3293 -6.3293 -3.7327 -3.7327 -3.1652 -3.1652 -1.8720 -1.8720 -0.6769 -0.6769 -0.6200 -0.6200 -0.4603 -0.4603 -0.3841 -0.3841 -0.3569 -0.3569 1.1175 1.1175 1.1378 1.1378 1.2390 1.2390 1.4765 1.4765 1.5356 1.5356 1.5469 1.5469 2.0726 2.0726 2.0917 2.0917 2.1314 2.1314 2.1640 2.1640 3.3326 3.3326 3.3562 3.3562 3.4548 3.4548 3.4758 3.4758 3.6128 3.6128 3.6455 3.6455 9.4652 9.4652 9.5871 9.5871 10.2842 10.2842 10.4862 10.4862 10.6188 10.6188 11.8184 11.8184 11.8762 11.8762 k = 0.1143 0.0660 0.3401 ( 6904 PWs) bands (ev): -21.7783 -21.7783 -14.9678 -14.9678 -14.7961 -14.7961 -13.2999 -13.2999 -13.2905 -13.2905 -13.2613 -13.2613 -13.2285 -13.2285 -12.8658 -12.8658 -12.7845 -12.7845 -8.3465 -8.3465 -6.3368 -6.3368 -6.3276 -6.3276 -3.7129 -3.7129 -3.1457 -3.1457 -1.8676 -1.8676 -0.6800 -0.6800 -0.6055 -0.6055 -0.4709 -0.4709 -0.3768 -0.3768 -0.3645 -0.3645 1.1129 1.1129 1.1365 1.1365 1.2388 1.2388 1.4727 1.4727 1.5356 1.5356 1.5497 1.5497 2.0567 2.0567 2.0771 2.0771 2.1267 2.1267 2.1601 2.1601 3.3320 3.3320 3.3578 3.3578 3.4395 3.4395 3.4593 3.4593 3.6074 3.6074 3.6471 3.6471 9.4846 9.4846 9.6029 9.6029 10.3046 10.3046 10.4784 10.4784 10.6280 10.6280 11.8081 11.8081 11.8654 11.8654 k = 0.1286 0.0742 0.3401 ( 6900 PWs) bands (ev): -21.7781 -21.7781 -14.9610 -14.9610 -14.7915 -14.7915 -13.3103 -13.3103 -13.3052 -13.3052 -13.2623 -13.2623 -13.2288 -13.2288 -12.8639 -12.8639 -12.7803 -12.7803 -8.3460 -8.3460 -6.3379 -6.3379 -6.3257 -6.3257 -3.6908 -3.6908 -3.1238 -3.1238 -1.8627 -1.8627 -0.6838 -0.6838 -0.5893 -0.5893 -0.4831 -0.4831 -0.3760 -0.3760 -0.3649 -0.3649 1.1077 1.1077 1.1351 1.1351 1.2384 1.2384 1.4679 1.4679 1.5350 1.5350 1.5527 1.5527 2.0402 2.0402 2.0607 2.0607 2.1215 2.1215 2.1561 2.1561 3.3313 3.3313 3.3585 3.3585 3.4234 3.4234 3.4419 3.4419 3.6013 3.6013 3.6484 3.6484 9.5053 9.5053 9.6205 9.6205 10.3272 10.3272 10.4702 10.4702 10.6395 10.6395 11.7967 11.7967 11.8537 11.8537 k = 0.1429 0.0825 0.3401 ( 6912 PWs) bands (ev): -21.7778 -21.7778 -14.9534 -14.9534 -14.7864 -14.7864 -13.3224 -13.3224 -13.3204 -13.3204 -13.2632 -13.2632 -13.2290 -13.2290 -12.8617 -12.8617 -12.7760 -12.7760 -8.3455 -8.3455 -6.3392 -6.3392 -6.3236 -6.3236 -3.6663 -3.6663 -3.0996 -3.0996 -1.8575 -1.8575 -0.6883 -0.6883 -0.5714 -0.5714 -0.4969 -0.4969 -0.3847 -0.3847 -0.3552 -0.3552 1.1017 1.1017 1.1335 1.1335 1.2378 1.2378 1.4618 1.4618 1.5339 1.5339 1.5559 1.5559 2.0234 2.0234 2.0432 2.0432 2.1158 2.1158 2.1521 2.1521 3.3302 3.3302 3.3569 3.3569 3.4064 3.4064 3.4254 3.4254 3.5945 3.5945 3.6494 3.6494 9.5268 9.5268 9.6396 9.6396 10.3510 10.3510 10.4635 10.4635 10.6531 10.6531 11.7844 11.7844 11.8410 11.8410 k = 0.1571 0.0907 0.3401 ( 6914 PWs) bands (ev): -21.7776 -21.7776 -14.9450 -14.9450 -14.7808 -14.7808 -13.3384 -13.3384 -13.3336 -13.3336 -13.2643 -13.2643 -13.2292 -13.2292 -12.8594 -12.8594 -12.7718 -12.7718 -8.3450 -8.3450 -6.3405 -6.3405 -6.3213 -6.3213 -3.6396 -3.6396 -3.0733 -3.0733 -1.8519 -1.8519 -0.6938 -0.6938 -0.5520 -0.5520 -0.5120 -0.5120 -0.3947 -0.3947 -0.3436 -0.3436 1.0951 1.0951 1.1315 1.1315 1.2369 1.2369 1.4544 1.4544 1.5321 1.5321 1.5591 1.5591 2.0068 2.0068 2.0251 2.0251 2.1094 2.1094 2.1479 2.1479 3.3289 3.3289 3.3509 3.3509 3.3873 3.3873 3.4135 3.4135 3.5872 3.5872 3.6501 3.6501 9.5486 9.5486 9.6601 9.6601 10.3722 10.3722 10.4622 10.4622 10.6687 10.6687 11.7712 11.7712 11.8274 11.8274 k = 0.1714 0.0990 0.3401 ( 6918 PWs) bands (ev): -21.7773 -21.7773 -14.9361 -14.9361 -14.7749 -14.7749 -13.3560 -13.3560 -13.3468 -13.3468 -13.2653 -13.2653 -13.2295 -13.2295 -12.8568 -12.8568 -12.7676 -12.7676 -8.3444 -8.3444 -6.3418 -6.3418 -6.3190 -6.3190 -3.6108 -3.6108 -3.0451 -3.0451 -1.8460 -1.8460 -0.7002 -0.7002 -0.5325 -0.5325 -0.5267 -0.5267 -0.4054 -0.4054 -0.3309 -0.3309 1.0879 1.0879 1.1290 1.1290 1.2356 1.2356 1.4453 1.4453 1.5297 1.5297 1.5624 1.5624 1.9907 1.9907 2.0071 2.0071 2.1025 2.1025 2.1435 2.1435 3.3265 3.3265 3.3397 3.3397 3.3654 3.3654 3.4086 3.4086 3.5793 3.5793 3.6505 3.6505 9.5705 9.5705 9.6820 9.6820 10.3840 10.3840 10.4738 10.4738 10.6859 10.6859 11.7573 11.7573 11.8129 11.8129 k = 0.1857 0.1072 0.3401 ( 6910 PWs) bands (ev): -21.7770 -21.7770 -14.9265 -14.9265 -14.7686 -14.7686 -13.3744 -13.3744 -13.3608 -13.3608 -13.2664 -13.2664 -13.2297 -13.2297 -12.8541 -12.8541 -12.7637 -12.7637 -8.3438 -8.3438 -6.3433 -6.3433 -6.3165 -6.3165 -3.5800 -3.5800 -3.0149 -3.0149 -1.8400 -1.8400 -0.7077 -0.7077 -0.5456 -0.5456 -0.5081 -0.5081 -0.4166 -0.4166 -0.3171 -0.3171 1.0801 1.0801 1.1258 1.1258 1.2340 1.2340 1.4345 1.4345 1.5267 1.5267 1.5656 1.5656 1.9752 1.9752 1.9899 1.9899 2.0950 2.0950 2.1387 2.1387 3.3177 3.3177 3.3298 3.3298 3.3420 3.3420 3.4089 3.4089 3.5710 3.5710 3.6505 3.6505 9.5919 9.5919 9.7049 9.7049 10.3836 10.3836 10.5014 10.5014 10.7046 10.7046 11.7427 11.7427 11.7977 11.7977 k = 0.2000 0.1155 0.3401 ( 6906 PWs) bands (ev): -21.7766 -21.7766 -14.9163 -14.9163 -14.7619 -14.7619 -13.3934 -13.3934 -13.3753 -13.3753 -13.2676 -13.2676 -13.2300 -13.2300 -12.8513 -12.8513 -12.7600 -12.7600 -8.3432 -8.3432 -6.3448 -6.3448 -6.3139 -6.3139 -3.5473 -3.5473 -2.9831 -2.9831 -1.8338 -1.8338 -0.7164 -0.7164 -0.5633 -0.5633 -0.4845 -0.4845 -0.4283 -0.4283 -0.3025 -0.3025 1.0717 1.0717 1.1217 1.1217 1.2320 1.2320 1.4219 1.4219 1.5231 1.5231 1.5686 1.5686 1.9603 1.9603 1.9743 1.9743 2.0870 2.0870 2.1335 2.1335 3.2993 3.2993 3.3146 3.3146 3.3292 3.3292 3.4121 3.4121 3.5623 3.5623 3.6503 3.6503 9.6126 9.6126 9.7288 9.7288 10.3763 10.3763 10.5401 10.5401 10.7247 10.7247 11.7273 11.7273 11.7818 11.7818 k = 0.2143 0.1237 0.3401 ( 6914 PWs) bands (ev): -21.7763 -21.7763 -14.9056 -14.9056 -14.7550 -14.7550 -13.4128 -13.4128 -13.3905 -13.3905 -13.2687 -13.2687 -13.2302 -13.2302 -12.8482 -12.8482 -12.7565 -12.7565 -8.3426 -8.3426 -6.3463 -6.3463 -6.3113 -6.3113 -3.5129 -3.5129 -2.9497 -2.9497 -1.8277 -1.8277 -0.7263 -0.7263 -0.5814 -0.5814 -0.4602 -0.4602 -0.4399 -0.4399 -0.2871 -0.2871 1.0627 1.0627 1.1165 1.1165 1.2299 1.2299 1.4075 1.4075 1.5190 1.5190 1.5715 1.5715 1.9457 1.9457 1.9611 1.9611 2.0784 2.0784 2.1278 2.1278 3.2776 3.2776 3.2897 3.2897 3.3273 3.3273 3.4169 3.4169 3.5532 3.5532 3.6497 3.6497 9.6322 9.6322 9.7534 9.7534 10.3662 10.3662 10.5858 10.5858 10.7460 10.7460 11.7111 11.7111 11.7653 11.7653 k = 0.2286 0.1320 0.3401 ( 6926 PWs) bands (ev): -21.7760 -21.7760 -14.8944 -14.8944 -14.7478 -14.7478 -13.4325 -13.4325 -13.4060 -13.4060 -13.2699 -13.2699 -13.2305 -13.2305 -12.8451 -12.8451 -12.7533 -12.7533 -8.3420 -8.3420 -6.3478 -6.3478 -6.3086 -6.3086 -3.4769 -3.4769 -2.9149 -2.9149 -1.8216 -1.8216 -0.7377 -0.7377 -0.5997 -0.5997 -0.4548 -0.4548 -0.4321 -0.4321 -0.2711 -0.2711 1.0530 1.0530 1.1099 1.1099 1.2276 1.2276 1.3915 1.3915 1.5147 1.5147 1.5741 1.5741 1.9318 1.9318 1.9504 1.9504 2.0692 2.0692 2.1216 2.1216 3.2533 3.2533 3.2650 3.2650 3.3261 3.3261 3.4226 3.4226 3.5438 3.5438 3.6489 3.6489 9.6507 9.6507 9.7787 9.7787 10.3553 10.3553 10.6364 10.6364 10.7684 10.7684 11.6939 11.6939 11.7485 11.7485 k = 0.2429 0.1402 0.3401 ( 6932 PWs) bands (ev): -21.7757 -21.7757 -14.8827 -14.8827 -14.7405 -14.7405 -13.4524 -13.4524 -13.4220 -13.4220 -13.2711 -13.2711 -13.2308 -13.2308 -12.8418 -12.8418 -12.7505 -12.7505 -8.3414 -8.3414 -6.3494 -6.3494 -6.3058 -6.3058 -3.4395 -3.4395 -2.8790 -2.8790 -1.8157 -1.8157 -0.7504 -0.7504 -0.6179 -0.6179 -0.4675 -0.4675 -0.4056 -0.4056 -0.2545 -0.2545 1.0427 1.0427 1.1017 1.1017 1.2254 1.2254 1.3739 1.3739 1.5102 1.5102 1.5764 1.5764 1.9190 1.9190 1.9421 1.9421 2.0596 2.0596 2.1149 2.1149 3.2270 3.2270 3.2416 3.2416 3.3253 3.3253 3.4289 3.4289 3.5342 3.5342 3.6478 3.6478 9.6677 9.6677 9.8043 9.8043 10.3444 10.3444 10.6908 10.6908 10.7922 10.7922 11.6755 11.6755 11.7317 11.7317 k = 0.2571 0.1485 0.3401 ( 6936 PWs) bands (ev): -21.7753 -21.7753 -14.8707 -14.8707 -14.7330 -14.7330 -13.4723 -13.4723 -13.4382 -13.4382 -13.2723 -13.2723 -13.2311 -13.2311 -12.8384 -12.8384 -12.7480 -12.7480 -8.3408 -8.3408 -6.3509 -6.3509 -6.3031 -6.3031 -3.4009 -3.4009 -2.8422 -2.8422 -1.8101 -1.8101 -0.7645 -0.7645 -0.6359 -0.6359 -0.4813 -0.4813 -0.3779 -0.3779 -0.2374 -0.2374 1.0318 1.0318 1.0918 1.0918 1.2234 1.2234 1.3553 1.3553 1.5058 1.5058 1.5783 1.5783 1.9076 1.9076 1.9357 1.9357 2.0495 2.0495 2.1077 2.1077 3.1996 3.1996 3.2190 3.2190 3.3248 3.3248 3.4355 3.4355 3.5244 3.5244 3.6465 3.6465 9.6833 9.6833 9.8302 9.8302 10.3341 10.3341 10.7470 10.7470 10.8183 10.8183 11.6557 11.6557 11.7155 11.7155 k = 0.2714 0.1567 0.3401 ( 6920 PWs) bands (ev): -21.7750 -21.7750 -14.8584 -14.8584 -14.7255 -14.7255 -13.4922 -13.4922 -13.4544 -13.4544 -13.2735 -13.2735 -13.2313 -13.2313 -12.8349 -12.8349 -12.7458 -12.7458 -8.3402 -8.3402 -6.3525 -6.3525 -6.3004 -6.3004 -3.3614 -3.3614 -2.8047 -2.8047 -1.8048 -1.8048 -0.7800 -0.7800 -0.6533 -0.6533 -0.4955 -0.4955 -0.3495 -0.3495 -0.2200 -0.2200 1.0201 1.0201 1.0802 1.0802 1.2217 1.2217 1.3358 1.3358 1.5017 1.5017 1.5797 1.5797 1.8980 1.8980 1.9310 1.9310 2.0392 2.0392 2.1000 2.1000 3.1719 3.1719 3.1971 3.1971 3.3245 3.3245 3.4423 3.4423 3.5145 3.5145 3.6450 3.6450 9.6973 9.6973 9.8562 9.8562 10.3246 10.3246 10.7997 10.7997 10.8514 10.8514 11.6343 11.6343 11.7003 11.7003 k = 0.2857 0.1650 0.3401 ( 6924 PWs) bands (ev): -21.7747 -21.7747 -14.8458 -14.8458 -14.7180 -14.7180 -13.5118 -13.5118 -13.4707 -13.4707 -13.2747 -13.2747 -13.2316 -13.2316 -12.8313 -12.8313 -12.7440 -12.7440 -8.3396 -8.3396 -6.3540 -6.3540 -6.2977 -6.2977 -3.3211 -3.3211 -2.7668 -2.7668 -1.8000 -1.8000 -0.7968 -0.7968 -0.6702 -0.6702 -0.5103 -0.5103 -0.3207 -0.3207 -0.2025 -0.2025 1.0078 1.0078 1.0670 1.0670 1.2203 1.2203 1.3160 1.3160 1.4980 1.4980 1.5807 1.5807 1.8902 1.8902 1.9276 1.9276 2.0286 2.0286 2.0917 2.0917 3.1444 3.1444 3.1758 3.1758 3.3244 3.3244 3.4490 3.4490 3.5047 3.5047 3.6432 3.6432 9.7098 9.7098 9.8821 9.8821 10.3160 10.3160 10.8385 10.8385 10.9008 10.9008 11.6114 11.6114 11.6863 11.6863 k = 0.3000 0.1732 0.3401 ( 6924 PWs) bands (ev): -21.7743 -21.7743 -14.8331 -14.8331 -14.7105 -14.7105 -13.5311 -13.5311 -13.4869 -13.4869 -13.2758 -13.2758 -13.2319 -13.2319 -12.8277 -12.8277 -12.7426 -12.7426 -8.3391 -8.3391 -6.3554 -6.3554 -6.2950 -6.2950 -3.2804 -3.2804 -2.7288 -2.7288 -1.7957 -1.7957 -0.8147 -0.8147 -0.6864 -0.6864 -0.5255 -0.5255 -0.2917 -0.2917 -0.1849 -0.1849 0.9948 0.9948 1.0525 1.0525 1.2193 1.2193 1.2963 1.2963 1.4947 1.4947 1.5810 1.5810 1.8840 1.8840 1.9253 1.9253 2.0179 2.0179 2.0830 2.0830 3.1175 3.1175 3.1553 3.1553 3.3246 3.3246 3.4555 3.4555 3.4952 3.4952 3.6413 3.6413 9.7207 9.7207 9.9080 9.9080 10.3086 10.3086 10.8658 10.8658 10.9633 10.9633 11.5875 11.5875 11.6739 11.6739 k = 0.3143 0.1815 0.3401 ( 6932 PWs) bands (ev): -21.7740 -21.7740 -14.8204 -14.8204 -14.7033 -14.7033 -13.5500 -13.5500 -13.5028 -13.5028 -13.2770 -13.2770 -13.2321 -13.2321 -12.8241 -12.8241 -12.7415 -12.7415 -8.3385 -8.3385 -6.3569 -6.3569 -6.2925 -6.2925 -3.2395 -3.2395 -2.6911 -2.6911 -1.7919 -1.7919 -0.8335 -0.8335 -0.7016 -0.7016 -0.5410 -0.5410 -0.2627 -0.2627 -0.1674 -0.1674 0.9812 0.9812 1.0370 1.0370 1.2186 1.2186 1.2772 1.2772 1.4920 1.4920 1.5808 1.5808 1.8794 1.8794 1.9240 1.9240 2.0072 2.0072 2.0739 2.0739 3.0914 3.0914 3.1356 3.1356 3.3252 3.3252 3.4611 3.4611 3.4866 3.4866 3.6392 3.6392 9.7301 9.7301 9.9336 9.9336 10.3025 10.3025 10.8884 10.8884 11.0307 11.0307 11.5634 11.5634 11.6634 11.6634 k = 0.3286 0.1897 0.3401 ( 6944 PWs) bands (ev): -21.7737 -21.7737 -14.8076 -14.8076 -14.6963 -14.6963 -13.5682 -13.5682 -13.5182 -13.5182 -13.2780 -13.2780 -13.2324 -13.2324 -12.8204 -12.8204 -12.7407 -12.7407 -8.3380 -8.3380 -6.3582 -6.3582 -6.2900 -6.2900 -3.1987 -3.1987 -2.6540 -2.6540 -1.7887 -1.7887 -0.8530 -0.8530 -0.7159 -0.7159 -0.5568 -0.5568 -0.2340 -0.2340 -0.1502 -0.1502 0.9671 0.9671 1.0209 1.0209 1.2179 1.2179 1.2593 1.2593 1.4897 1.4897 1.5799 1.5799 1.8762 1.8762 1.9232 1.9232 1.9968 1.9968 2.0644 2.0644 3.0663 3.0663 3.1170 3.1170 3.3260 3.3260 3.4634 3.4634 3.4813 3.4813 3.6370 3.6370 9.7380 9.7380 9.9587 9.9587 10.2976 10.2976 10.9082 10.9082 11.0992 11.0992 11.5403 11.5403 11.6550 11.6550 k = 0.3429 0.1979 0.3401 ( 6950 PWs) bands (ev): -21.7734 -21.7734 -14.7950 -14.7950 -14.6896 -14.6896 -13.5857 -13.5857 -13.5332 -13.5332 -13.2791 -13.2791 -13.2326 -13.2326 -12.8168 -12.8168 -12.7403 -12.7403 -8.3375 -8.3375 -6.3595 -6.3595 -6.2877 -6.2877 -3.1584 -3.1584 -2.6179 -2.6179 -1.7861 -1.7861 -0.8731 -0.8731 -0.7290 -0.7290 -0.5727 -0.5727 -0.2059 -0.2059 -0.1335 -0.1335 0.9526 0.9526 1.0046 1.0046 1.2165 1.2165 1.2435 1.2435 1.4879 1.4879 1.5785 1.5785 1.8743 1.8743 1.9228 1.9228 1.9867 1.9867 2.0547 2.0547 3.0426 3.0426 3.0995 3.0995 3.3272 3.3272 3.4588 3.4588 3.4827 3.4827 3.6347 3.6347 9.7446 9.7446 9.9833 9.9833 10.2939 10.2939 10.9254 10.9254 11.1662 11.1662 11.5199 11.5199 11.6494 11.6494 k = 0.3571 0.2062 0.3401 ( 6960 PWs) bands (ev): -21.7731 -21.7731 -14.7827 -14.7827 -14.6834 -14.6834 -13.6023 -13.6023 -13.5475 -13.5475 -13.2800 -13.2800 -13.2328 -13.2328 -12.8132 -12.8132 -12.7401 -12.7401 -8.3371 -8.3371 -6.3607 -6.3607 -6.2855 -6.2855 -3.1189 -3.1189 -2.5832 -2.5832 -1.7840 -1.7840 -0.8934 -0.8934 -0.7408 -0.7408 -0.5887 -0.5887 -0.1786 -0.1786 -0.1174 -0.1174 0.9379 0.9379 0.9885 0.9885 1.2121 1.2121 1.2321 1.2321 1.4865 1.4865 1.5765 1.5765 1.8736 1.8736 1.9225 1.9225 1.9771 1.9771 2.0449 2.0449 3.0204 3.0204 3.0833 3.0833 3.3288 3.3288 3.4507 3.4507 3.4877 3.4877 3.6323 3.6323 9.7499 9.7499 10.0071 10.0071 10.2915 10.2915 10.9397 10.9397 11.2278 11.2278 11.5049 11.5049 11.6477 11.6477 k = 0.3714 0.2144 0.3401 ( 6950 PWs) bands (ev): -21.7729 -21.7729 -14.7707 -14.7707 -14.6777 -14.6777 -13.6178 -13.6178 -13.5610 -13.5610 -13.2809 -13.2809 -13.2330 -13.2330 -12.8096 -12.8096 -12.7402 -12.7402 -8.3367 -8.3367 -6.3618 -6.3618 -6.2834 -6.2834 -3.0808 -3.0808 -2.5504 -2.5504 -1.7824 -1.7824 -0.9136 -0.9136 -0.7512 -0.7512 -0.6046 -0.6046 -0.1526 -0.1526 -0.1020 -0.1020 0.9234 0.9234 0.9730 0.9730 1.2027 1.2027 1.2274 1.2274 1.4855 1.4855 1.5740 1.5740 1.8738 1.8738 1.9222 1.9222 1.9684 1.9684 2.0352 2.0352 2.9998 2.9998 3.0684 3.0684 3.3307 3.3307 3.4418 3.4418 3.4934 3.4934 3.6298 3.6298 9.7542 9.7542 10.0299 10.0299 10.2903 10.2903 10.9510 10.9510 11.2782 11.2782 11.4990 11.4990 11.6524 11.6524 k = 0.3857 0.2227 0.3401 ( 6960 PWs) bands (ev): -21.7727 -21.7727 -14.7593 -14.7593 -14.6726 -14.6726 -13.6322 -13.6322 -13.5735 -13.5735 -13.2817 -13.2817 -13.2332 -13.2332 -12.8062 -12.8062 -12.7405 -12.7405 -8.3363 -8.3363 -6.3628 -6.3628 -6.2816 -6.2816 -3.0444 -3.0444 -2.5199 -2.5199 -1.7812 -1.7812 -0.9336 -0.9336 -0.7600 -0.7600 -0.6202 -0.6202 -0.1281 -0.1281 -0.0876 -0.0876 0.9093 0.9093 0.9585 0.9585 1.1912 1.1912 1.2264 1.2264 1.4847 1.4847 1.5712 1.5712 1.8748 1.8748 1.9215 1.9215 1.9606 1.9606 2.0257 2.0257 2.9811 2.9811 3.0549 3.0549 3.3330 3.3330 3.4328 3.4328 3.4991 3.4991 3.6273 3.6273 9.7575 9.7575 10.0514 10.0514 10.2903 10.2903 10.9587 10.9587 11.3108 11.3108 11.5048 11.5048 11.6673 11.6673 k = 0.4000 0.2309 0.3401 ( 6968 PWs) bands (ev): -21.7724 -21.7724 -14.7485 -14.7485 -14.6681 -14.6681 -13.6453 -13.6453 -13.5849 -13.5849 -13.2825 -13.2825 -13.2334 -13.2334 -12.8030 -12.8030 -12.7411 -12.7411 -8.3360 -8.3360 -6.3637 -6.3637 -6.2799 -6.2799 -3.0102 -3.0102 -2.4921 -2.4921 -1.7802 -1.7802 -0.9528 -0.9528 -0.7672 -0.7672 -0.6353 -0.6353 -0.1054 -0.1054 -0.0743 -0.0743 0.8959 0.8959 0.9451 0.9451 1.1802 1.1802 1.2265 1.2265 1.4842 1.4842 1.5680 1.5680 1.8765 1.8765 1.9203 1.9203 1.9539 1.9539 2.0166 2.0166 2.9644 2.9644 3.0428 3.0428 3.3357 3.3357 3.4240 3.4240 3.5046 3.5046 3.6249 3.6249 9.7600 9.7600 10.0713 10.0713 10.2913 10.2913 10.9629 10.9629 11.3253 11.3253 11.5177 11.5177 11.6973 11.6973 k = 0.4143 0.2392 0.3401 ( 6970 PWs) bands (ev): -21.7723 -21.7723 -14.7385 -14.7385 -14.6643 -14.6643 -13.6570 -13.6570 -13.5951 -13.5951 -13.2831 -13.2831 -13.2335 -13.2335 -12.7999 -12.7999 -12.7418 -12.7418 -8.3357 -8.3357 -6.3645 -6.3645 -6.2784 -6.2784 -2.9789 -2.9789 -2.4675 -2.4675 -1.7794 -1.7794 -0.9709 -0.9709 -0.7727 -0.7727 -0.6497 -0.6497 -0.0852 -0.0852 -0.0622 -0.0622 0.8836 0.8836 0.9332 0.9332 1.1703 1.1703 1.2270 1.2270 1.4838 1.4838 1.5648 1.5648 1.8787 1.8787 1.9185 1.9185 1.9485 1.9485 2.0083 2.0083 2.9497 2.9497 3.0323 3.0323 3.3388 3.3388 3.4155 3.4155 3.5096 3.5096 3.6225 3.6225 9.7619 9.7619 10.0893 10.0893 10.2932 10.2932 10.9637 10.9637 11.3285 11.3285 11.5291 11.5291 11.7433 11.7433 k = 0.4286 0.2474 0.3401 ( 6968 PWs) bands (ev): -21.7721 -21.7721 -14.7295 -14.7295 -14.6613 -14.6613 -13.6671 -13.6671 -13.6040 -13.6040 -13.2837 -13.2837 -13.2337 -13.2337 -12.7971 -12.7971 -12.7425 -12.7425 -8.3355 -8.3355 -6.3652 -6.3652 -6.2771 -6.2771 -2.9510 -2.9510 -2.4464 -2.4464 -1.7786 -1.7786 -0.9875 -0.9875 -0.7766 -0.7766 -0.6630 -0.6630 -0.0678 -0.0678 -0.0511 -0.0511 0.8726 0.8726 0.9228 0.9228 1.1618 1.1618 1.2276 1.2276 1.4836 1.4836 1.5617 1.5617 1.8812 1.8812 1.9163 1.9163 1.9440 1.9440 2.0010 2.0010 2.9371 2.9371 3.0234 3.0234 3.3423 3.3423 3.4073 3.4073 3.5141 3.5141 3.6203 3.6203 9.7632 9.7632 10.1050 10.1050 10.2958 10.2958 10.9618 10.9618 11.3271 11.3271 11.5360 11.5360 11.8003 11.8003 k = 0.4429 0.2557 0.3401 ( 6976 PWs) bands (ev): -21.7720 -21.7720 -14.7217 -14.7217 -14.6590 -14.6590 -13.6755 -13.6755 -13.6115 -13.6115 -13.2842 -13.2842 -13.2338 -13.2338 -12.7947 -12.7947 -12.7433 -12.7433 -8.3353 -8.3353 -6.3658 -6.3658 -6.2760 -6.2760 -2.9271 -2.9271 -2.4290 -2.4290 -1.7779 -1.7779 -1.0020 -1.0020 -0.7789 -0.7789 -0.6750 -0.6750 -0.0538 -0.0538 -0.0411 -0.0411 0.8632 0.8632 0.9142 0.9142 1.1548 1.1548 1.2282 1.2282 1.4835 1.4835 1.5588 1.5588 1.8838 1.8838 1.9140 1.9140 1.9404 1.9404 1.9947 1.9947 2.9268 2.9268 3.0161 3.0161 3.3462 3.3462 3.3995 3.3995 3.5180 3.5180 3.6184 3.6184 9.7641 9.7641 10.1181 10.1181 10.2987 10.2987 10.9580 10.9580 11.3247 11.3247 11.5396 11.5396 11.8611 11.8611 k = 0.4571 0.2639 0.3401 ( 6978 PWs) bands (ev): -21.7719 -21.7719 -14.7153 -14.7153 -14.6574 -14.6574 -13.6821 -13.6821 -13.6174 -13.6174 -13.2845 -13.2845 -13.2339 -13.2339 -12.7927 -12.7927 -12.7441 -12.7441 -8.3351 -8.3351 -6.3662 -6.3662 -6.2752 -6.2752 -2.9077 -2.9077 -2.4155 -2.4155 -1.7771 -1.7771 -1.0139 -1.0139 -0.7800 -0.7800 -0.6852 -0.6852 -0.0438 -0.0438 -0.0320 -0.0320 0.8557 0.8557 0.9074 0.9074 1.1493 1.1493 1.2288 1.2288 1.4835 1.4835 1.5563 1.5563 1.8863 1.8863 1.9120 1.9120 1.9372 1.9372 1.9899 1.9899 2.9187 2.9187 3.0104 3.0104 3.3503 3.3503 3.3924 3.3924 3.5212 3.5212 3.6167 3.6167 9.7647 9.7647 10.1285 10.1285 10.3017 10.3017 10.9534 10.9534 11.3226 11.3226 11.5412 11.5412 11.9193 11.9193 k = 0.4714 0.2722 0.3401 ( 6972 PWs) bands (ev): -21.7718 -21.7718 -14.7104 -14.7104 -14.6563 -14.6563 -13.6870 -13.6870 -13.6216 -13.6216 -13.2848 -13.2848 -13.2339 -13.2339 -12.7912 -12.7912 -12.7447 -12.7447 -8.3350 -8.3350 -6.3666 -6.3666 -6.2746 -6.2746 -2.8935 -2.8935 -2.4058 -2.4058 -1.7765 -1.7765 -1.0229 -1.0229 -0.7803 -0.7803 -0.6930 -0.6930 -0.0373 -0.0373 -0.0246 -0.0246 0.8501 0.8501 0.9025 0.9025 1.1453 1.1453 1.2292 1.2292 1.4835 1.4835 1.5544 1.5544 1.8885 1.8885 1.9106 1.9106 1.9346 1.9346 1.9864 1.9864 2.9129 2.9129 3.0063 3.0063 3.3544 3.3544 3.3861 3.3861 3.5236 3.5236 3.6155 3.6155 9.7650 9.7650 10.1359 10.1359 10.3043 10.3043 10.9491 10.9491 11.3212 11.3212 11.5420 11.5420 11.9688 11.9688 k = 0.4857 0.2804 0.3401 ( 6956 PWs) bands (ev): -21.7717 -21.7717 -14.7074 -14.7074 -14.6558 -14.6558 -13.6899 -13.6899 -13.6242 -13.6242 -13.2849 -13.2849 -13.2340 -13.2340 -12.7903 -12.7903 -12.7451 -12.7451 -8.3349 -8.3349 -6.3667 -6.3667 -6.2742 -6.2742 -2.8847 -2.8847 -2.4000 -2.4000 -1.7761 -1.7761 -1.0284 -1.0284 -0.7802 -0.7802 -0.6980 -0.6980 -0.0337 -0.0337 -0.0198 -0.0198 0.8468 0.8468 0.8996 0.8996 1.1429 1.1429 1.2295 1.2295 1.4835 1.4835 1.5532 1.5532 1.8898 1.8898 1.9098 1.9098 1.9328 1.9328 1.9844 1.9844 2.9094 2.9094 3.0038 3.0038 3.3580 3.3580 3.3812 3.3812 3.5251 3.5251 3.6147 3.6147 9.7652 9.7652 10.1404 10.1404 10.3060 10.3060 10.9462 10.9462 11.3204 11.3204 11.5422 11.5422 12.0027 12.0027 k = 0.5000 0.2887 0.3401 ( 6960 PWs) bands (ev): -21.7717 -21.7717 -14.7064 -14.7064 -14.6556 -14.6556 -13.6909 -13.6909 -13.6251 -13.6251 -13.2850 -13.2850 -13.2340 -13.2340 -12.7899 -12.7899 -12.7452 -12.7452 -8.3349 -8.3349 -6.3668 -6.3668 -6.2741 -6.2741 -2.8818 -2.8818 -2.3981 -2.3981 -1.7760 -1.7760 -1.0302 -1.0302 -0.7801 -0.7801 -0.6998 -0.6998 -0.0325 -0.0325 -0.0181 -0.0181 0.8456 0.8456 0.8986 0.8986 1.1421 1.1421 1.2296 1.2296 1.4835 1.4835 1.5528 1.5528 1.8903 1.8903 1.9096 1.9096 1.9321 1.9321 1.9837 1.9837 2.9083 2.9083 3.0030 3.0030 3.3595 3.3595 3.3791 3.3791 3.5255 3.5255 3.6144 3.6144 9.7653 9.7653 10.1419 10.1419 10.3066 10.3066 10.9451 10.9451 11.3202 11.3202 11.5423 11.5423 12.0149 12.0149 k = 0.5000 0.2887 0.3401 ( 6960 PWs) bands (ev): -21.7717 -21.7717 -14.7064 -14.7064 -14.6556 -14.6556 -13.6909 -13.6909 -13.6251 -13.6251 -13.2850 -13.2850 -13.2340 -13.2340 -12.7899 -12.7899 -12.7452 -12.7452 -8.3349 -8.3349 -6.3668 -6.3668 -6.2741 -6.2741 -2.8818 -2.8818 -2.3981 -2.3981 -1.7760 -1.7760 -1.0302 -1.0302 -0.7801 -0.7801 -0.6998 -0.6998 -0.0325 -0.0325 -0.0181 -0.0181 0.8456 0.8456 0.8986 0.8986 1.1421 1.1421 1.2296 1.2296 1.4835 1.4835 1.5528 1.5528 1.8903 1.8903 1.9096 1.9096 1.9321 1.9321 1.9837 1.9837 2.9083 2.9083 3.0030 3.0030 3.3595 3.3595 3.3791 3.3791 3.5255 3.5255 3.6144 3.6144 9.7653 9.7653 10.1419 10.1419 10.3066 10.3066 10.9451 10.9451 11.3202 11.3202 11.5423 11.5423 12.0149 12.0149 k = 0.4917 0.3031 0.3401 ( 6952 PWs) bands (ev): -21.7717 -21.7717 -14.7062 -14.7062 -14.6555 -14.6555 -13.6911 -13.6911 -13.6256 -13.6256 -13.2849 -13.2849 -13.2341 -13.2341 -12.7898 -12.7898 -12.7452 -12.7452 -8.3349 -8.3349 -6.3668 -6.3668 -6.2741 -6.2741 -2.8804 -2.8804 -2.3974 -2.3974 -1.7759 -1.7759 -1.0319 -1.0319 -0.7806 -0.7806 -0.7011 -0.7011 -0.0318 -0.0318 -0.0170 -0.0170 0.8435 0.8435 0.9010 0.9010 1.1421 1.1421 1.2294 1.2294 1.4832 1.4832 1.5540 1.5540 1.8900 1.8900 1.9084 1.9084 1.9339 1.9339 1.9845 1.9845 2.9065 2.9065 3.0006 3.0006 3.3597 3.3597 3.3798 3.3798 3.5255 3.5255 3.6142 3.6142 9.7664 9.7664 10.1433 10.1433 10.3068 10.3068 10.9448 10.9448 11.3153 11.3153 11.5396 11.5396 12.0228 12.0228 k = 0.4833 0.3175 0.3401 ( 6964 PWs) bands (ev): -21.7717 -21.7717 -14.7054 -14.7054 -14.6550 -14.6550 -13.6917 -13.6917 -13.6271 -13.6271 -13.2845 -13.2845 -13.2344 -13.2344 -12.7896 -12.7896 -12.7452 -12.7452 -8.3349 -8.3349 -6.3668 -6.3668 -6.2740 -6.2740 -2.8761 -2.8761 -2.3952 -2.3952 -1.7759 -1.7759 -1.0369 -1.0369 -0.7822 -0.7822 -0.7050 -0.7050 -0.0298 -0.0298 -0.0136 -0.0136 0.8381 0.8381 0.9074 0.9074 1.1422 1.1422 1.2288 1.2288 1.4822 1.4822 1.5574 1.5574 1.8891 1.8891 1.9059 1.9059 1.9383 1.9383 1.9867 1.9867 2.9012 2.9012 2.9936 2.9936 3.3600 3.3600 3.3817 3.3817 3.5255 3.5255 3.6136 3.6136 9.7697 9.7697 10.1475 10.1475 10.3072 10.3072 10.9441 10.9441 11.3011 11.3011 11.5320 11.5320 12.0454 12.0454 k = 0.4750 0.3320 0.3401 ( 6972 PWs) bands (ev): -21.7717 -21.7717 -14.7041 -14.7041 -14.6542 -14.6542 -13.6928 -13.6928 -13.6295 -13.6295 -13.2840 -13.2840 -13.2348 -13.2348 -12.7891 -12.7891 -12.7453 -12.7453 -8.3348 -8.3348 -6.3669 -6.3669 -6.2739 -6.2739 -2.8691 -2.8691 -2.3916 -2.3916 -1.7757 -1.7757 -1.0452 -1.0452 -0.7846 -0.7846 -0.7113 -0.7113 -0.0265 -0.0265 -0.0081 -0.0081 0.8312 0.8312 0.9160 0.9160 1.1422 1.1422 1.2279 1.2279 1.4808 1.4808 1.5631 1.5631 1.8871 1.8871 1.9040 1.9040 1.9437 1.9437 1.9906 1.9906 2.8923 2.8923 2.9823 2.9823 3.3606 3.3606 3.3845 3.3845 3.5256 3.5256 3.6127 3.6127 9.7751 9.7751 10.1543 10.1543 10.3080 10.3080 10.9429 10.9429 11.2791 11.2791 11.5201 11.5201 12.0807 12.0807 k = 0.4667 0.3464 0.3401 ( 6968 PWs) bands (ev): -21.7717 -21.7717 -14.7023 -14.7023 -14.6531 -14.6531 -13.6942 -13.6942 -13.6328 -13.6328 -13.2832 -13.2832 -13.2355 -13.2355 -12.7885 -12.7885 -12.7453 -12.7453 -8.3348 -8.3348 -6.3669 -6.3669 -6.2737 -6.2737 -2.8594 -2.8594 -2.3867 -2.3867 -1.7754 -1.7754 -1.0567 -1.0567 -0.7878 -0.7878 -0.7197 -0.7197 -0.0221 -0.0221 -0.0009 -0.0009 0.8239 0.8239 0.9256 0.9256 1.1422 1.1422 1.2266 1.2266 1.4789 1.4789 1.5709 1.5709 1.8840 1.8840 1.9032 1.9032 1.9489 1.9489 1.9963 1.9963 2.8800 2.8800 2.9671 2.9671 3.3614 3.3614 3.3879 3.3879 3.5258 3.5258 3.6115 3.6115 9.7826 9.7826 10.1637 10.1637 10.3092 10.3092 10.9412 10.9412 11.2508 11.2508 11.5047 11.5047 12.1264 12.1264 k = 0.4583 0.3608 0.3401 ( 6960 PWs) bands (ev): -21.7716 -21.7716 -14.7000 -14.7000 -14.6518 -14.6518 -13.6960 -13.6960 -13.6370 -13.6370 -13.2823 -13.2823 -13.2362 -13.2362 -12.7877 -12.7877 -12.7454 -12.7454 -8.3347 -8.3347 -6.3670 -6.3670 -6.2735 -6.2735 -2.8470 -2.8470 -2.3809 -2.3809 -1.7748 -1.7748 -1.0715 -1.0715 -0.7916 -0.7916 -0.7298 -0.7298 -0.0167 -0.0167 0.0078 0.0078 0.8168 0.8168 0.9355 0.9355 1.1422 1.1422 1.2250 1.2250 1.4768 1.4768 1.5808 1.5808 1.8804 1.8804 1.9035 1.9035 1.9538 1.9538 2.0036 2.0036 2.8643 2.8643 2.9488 2.9488 3.3625 3.3625 3.3914 3.3914 3.5262 3.5262 3.6099 3.6099 9.7919 9.7919 10.1756 10.1756 10.3110 10.3110 10.9393 10.9393 11.2182 11.2182 11.4862 11.4862 12.1800 12.1800 k = 0.4500 0.3753 0.3401 ( 6958 PWs) bands (ev): -21.7716 -21.7716 -14.6972 -14.6972 -14.6502 -14.6502 -13.6981 -13.6981 -13.6419 -13.6419 -13.2813 -13.2813 -13.2371 -13.2371 -12.7867 -12.7867 -12.7456 -12.7456 -8.3346 -8.3346 -6.3670 -6.3670 -6.2732 -6.2732 -2.8320 -2.8320 -2.3743 -2.3743 -1.7738 -1.7738 -1.0894 -1.0894 -0.7958 -0.7958 -0.7414 -0.7414 -0.0107 -0.0107 0.0176 0.0176 0.8103 0.8103 0.9454 0.9454 1.1422 1.1422 1.2230 1.2230 1.4745 1.4745 1.5927 1.5927 1.8766 1.8766 1.9043 1.9043 1.9583 1.9583 2.0125 2.0125 2.8455 2.8455 2.9278 2.9278 3.3638 3.3638 3.3948 3.3948 3.5270 3.5270 3.6081 3.6081 9.8029 9.8029 10.1898 10.1898 10.3133 10.3133 10.9370 10.9370 11.1830 11.1830 11.4649 11.4649 12.2400 12.2400 k = 0.4417 0.3897 0.3401 ( 6954 PWs) bands (ev): -21.7715 -21.7715 -14.6941 -14.6941 -14.6485 -14.6485 -13.7006 -13.7006 -13.6474 -13.6474 -13.2803 -13.2803 -13.2381 -13.2381 -12.7856 -12.7856 -12.7458 -12.7458 -8.3345 -8.3345 -6.3671 -6.3671 -6.2729 -6.2729 -2.8145 -2.8145 -2.3672 -2.3672 -1.7721 -1.7721 -1.1104 -1.1104 -0.8002 -0.8002 -0.7538 -0.7538 -0.0041 -0.0041 0.0283 0.0283 0.8047 0.8047 0.9549 0.9549 1.1423 1.1423 1.2207 1.2207 1.4720 1.4720 1.6066 1.6066 1.8730 1.8730 1.9053 1.9053 1.9625 1.9625 2.0223 2.0223 2.8237 2.8237 2.9049 2.9049 3.3654 3.3654 3.3977 3.3977 3.5281 3.5281 3.6060 3.6060 9.8152 9.8152 10.2059 10.2059 10.3164 10.3164 10.9345 10.9345 11.1466 11.1466 11.4407 11.4407 12.3048 12.3048 k = 0.4333 0.4041 0.3401 ( 6960 PWs) bands (ev): -21.7714 -21.7714 -14.6905 -14.6905 -14.6466 -14.6466 -13.7032 -13.7032 -13.6535 -13.6535 -13.2792 -13.2792 -13.2390 -13.2390 -12.7843 -12.7843 -12.7461 -12.7461 -8.3344 -8.3344 -6.3672 -6.3672 -6.2726 -6.2726 -2.7947 -2.7947 -2.3602 -2.3602 -1.7695 -1.7695 -1.1341 -1.1341 -0.8049 -0.8049 -0.7669 -0.7669 0.0026 0.0026 0.0395 0.0395 0.8000 0.8000 0.9640 0.9640 1.1424 1.1424 1.2180 1.2180 1.4695 1.4695 1.6223 1.6223 1.8697 1.8697 1.9064 1.9064 1.9665 1.9665 2.0327 2.0327 2.7994 2.7994 2.8804 2.8804 3.3671 3.3671 3.3999 3.3999 3.5297 3.5297 3.6037 3.6037 9.8287 9.8287 10.2237 10.2237 10.3205 10.3205 10.9319 10.9319 11.1101 11.1101 11.4139 11.4139 12.3735 12.3735 k = 0.4250 0.4186 0.3401 ( 6966 PWs) bands (ev): -21.7714 -21.7714 -14.6866 -14.6866 -14.6446 -14.6446 -13.7061 -13.7061 -13.6600 -13.6600 -13.2782 -13.2782 -13.2400 -13.2400 -12.7829 -12.7829 -12.7465 -12.7465 -8.3343 -8.3343 -6.3673 -6.3673 -6.2722 -6.2722 -2.7727 -2.7727 -2.3536 -2.3536 -1.7656 -1.7656 -1.1604 -1.1604 -0.8097 -0.8097 -0.7800 -0.7800 0.0093 0.0093 0.0509 0.0509 0.7962 0.7962 0.9724 0.9724 1.1427 1.1427 1.2150 1.2150 1.4670 1.4670 1.6398 1.6398 1.8667 1.8667 1.9073 1.9073 1.9707 1.9707 2.0433 2.0433 2.7732 2.7732 2.8548 2.8548 3.3689 3.3689 3.4013 3.4013 3.5316 3.5316 3.6014 3.6014 9.8428 9.8428 10.2427 10.2427 10.3258 10.3258 10.9290 10.9290 11.0745 11.0745 11.3845 11.3845 12.4453 12.4453 k = 0.4167 0.4330 0.3401 ( 6972 PWs) bands (ev): -21.7713 -21.7713 -14.6825 -14.6825 -14.6427 -14.6427 -13.7090 -13.7090 -13.6668 -13.6668 -13.2772 -13.2772 -13.2410 -13.2410 -12.7814 -12.7814 -12.7470 -12.7470 -8.3342 -8.3342 -6.3674 -6.3674 -6.2718 -6.2718 -2.7486 -2.7486 -2.3481 -2.3481 -1.7600 -1.7600 -1.1890 -1.1890 -0.8146 -0.8146 -0.7927 -0.7927 0.0158 0.0158 0.0623 0.0623 0.7935 0.7935 0.9800 0.9800 1.1432 1.1432 1.2118 1.2118 1.4645 1.4645 1.6588 1.6588 1.8641 1.8641 1.9080 1.9080 1.9750 1.9750 2.0533 2.0533 2.7459 2.7459 2.8284 2.8284 3.3708 3.3708 3.4020 3.4020 3.5339 3.5339 3.5989 3.5989 9.8573 9.8573 10.2624 10.2624 10.3327 10.3327 10.9258 10.9258 11.0408 11.0408 11.3529 11.3529 12.5194 12.5194 k = 0.4083 0.4474 0.3401 ( 6972 PWs) bands (ev): -21.7712 -21.7712 -14.6781 -14.6781 -14.6408 -14.6408 -13.7120 -13.7120 -13.6738 -13.6738 -13.2763 -13.2763 -13.2418 -13.2418 -12.7797 -12.7797 -12.7476 -12.7476 -8.3341 -8.3341 -6.3675 -6.3675 -6.2714 -6.2714 -2.7226 -2.7226 -2.3442 -2.3442 -1.7524 -1.7524 -1.2197 -1.2197 -0.8196 -0.8196 -0.8048 -0.8048 0.0219 0.0219 0.0735 0.0735 0.7916 0.7916 0.9867 0.9867 1.1441 1.1441 1.2082 1.2082 1.4621 1.4621 1.6791 1.6791 1.8619 1.8619 1.9083 1.9083 1.9797 1.9797 2.0625 2.0625 2.7182 2.7182 2.8017 2.8017 3.3728 3.3728 3.4020 3.4020 3.5364 3.5364 3.5965 3.5965 9.8718 9.8718 10.2820 10.2820 10.3416 10.3416 10.9218 10.9218 11.0103 11.0103 11.3193 11.3193 12.5950 12.5950 k = 0.4000 0.4619 0.3401 ( 6970 PWs) bands (ev): -21.7712 -21.7712 -14.6735 -14.6735 -14.6390 -14.6390 -13.7148 -13.7148 -13.6808 -13.6808 -13.2756 -13.2756 -13.2426 -13.2426 -12.7779 -12.7779 -12.7483 -12.7483 -8.3340 -8.3340 -6.3676 -6.3676 -6.2710 -6.2710 -2.6951 -2.6951 -2.3425 -2.3425 -1.7423 -1.7423 -1.2523 -1.2523 -0.8250 -0.8250 -0.8155 -0.8155 0.0275 0.0275 0.0841 0.0841 0.7906 0.7906 0.9926 0.9926 1.1454 1.1454 1.2043 1.2043 1.4598 1.4598 1.7004 1.7004 1.8601 1.8601 1.9081 1.9081 1.9847 1.9847 2.0702 2.0702 2.6913 2.6913 2.7748 2.7748 3.3747 3.3747 3.4014 3.4014 3.5391 3.5391 3.5941 3.5941 9.8857 9.8857 10.3008 10.3008 10.3528 10.3528 10.9163 10.9163 10.9844 10.9844 11.2842 11.2842 12.6590 12.6590 k = 0.3917 0.4763 0.3401 ( 6968 PWs) bands (ev): -21.7711 -21.7711 -14.6689 -14.6689 -14.6375 -14.6375 -13.7176 -13.7176 -13.6877 -13.6877 -13.2749 -13.2749 -13.2433 -13.2433 -12.7759 -12.7759 -12.7493 -12.7493 -8.3339 -8.3339 -6.3677 -6.3677 -6.2707 -6.2707 -2.6661 -2.6661 -2.3436 -2.3436 -1.7292 -1.7292 -1.2864 -1.2864 -0.8314 -0.8314 -0.8241 -0.8241 0.0325 0.0325 0.0941 0.0941 0.7902 0.7902 0.9974 0.9974 1.1471 1.1471 1.2003 1.2003 1.4577 1.4577 1.7223 1.7223 1.8586 1.8586 1.9073 1.9073 1.9903 1.9903 2.0758 2.0758 2.6662 2.6662 2.7482 2.7482 3.3766 3.3766 3.4005 3.4005 3.5417 3.5417 3.5918 3.5918 9.8987 9.8987 10.3179 10.3179 10.3663 10.3663 10.9078 10.9078 10.9651 10.9651 11.2482 11.2482 12.6583 12.6583 k = 0.3833 0.4907 0.3401 ( 6968 PWs) bands (ev): -21.7710 -21.7710 -14.6642 -14.6642 -14.6362 -14.6362 -13.7200 -13.7200 -13.6944 -13.6944 -13.2744 -13.2744 -13.2438 -13.2438 -12.7739 -12.7739 -12.7503 -12.7503 -8.3338 -8.3338 -6.3679 -6.3679 -6.2703 -6.2703 -2.6360 -2.6360 -2.3479 -2.3479 -1.7130 -1.7130 -1.3218 -1.3218 -0.8387 -0.8387 -0.8303 -0.8303 0.0368 0.0368 0.1032 0.1032 0.7903 0.7903 1.0014 1.0014 1.1494 1.1494 1.1960 1.1960 1.4557 1.4557 1.7446 1.7446 1.8574 1.8574 1.9057 1.9057 1.9963 1.9963 2.0788 2.0788 2.6439 2.6439 2.7223 2.7223 3.3783 3.3783 3.3993 3.3993 3.5442 3.5442 3.5897 3.5897 9.9104 9.9104 10.3333 10.3333 10.3815 10.3815 10.8964 10.8964 10.9531 10.9531 11.2120 11.2120 12.6539 12.6539 k = 0.3750 0.5052 0.3401 ( 6960 PWs) bands (ev): -21.7710 -21.7710 -14.6596 -14.6596 -14.6354 -14.6354 -13.7220 -13.7220 -13.7007 -13.7007 -13.2741 -13.2741 -13.2443 -13.2443 -12.7718 -12.7718 -12.7516 -12.7516 -8.3337 -8.3337 -6.3680 -6.3680 -6.2699 -6.2699 -2.6050 -2.6050 -2.3558 -2.3558 -1.6933 -1.6933 -1.3583 -1.3583 -0.8455 -0.8455 -0.8352 -0.8352 0.0405 0.0405 0.1114 0.1114 0.7909 0.7909 1.0044 1.0044 1.1521 1.1521 1.1917 1.1917 1.4540 1.4540 1.7666 1.7666 1.8565 1.8565 1.9031 1.9031 2.0029 2.0029 2.0789 2.0789 2.6255 2.6255 2.6975 2.6975 3.3798 3.3798 3.3982 3.3982 3.5464 3.5464 3.5878 3.5878 9.9206 9.9206 10.3471 10.3471 10.3970 10.3970 10.8846 10.8846 10.9461 10.9461 11.1767 11.1767 12.6505 12.6505 k = 0.3667 0.5196 0.3401 ( 6950 PWs) bands (ev): -21.7709 -21.7709 -14.6551 -14.6551 -14.6350 -14.6350 -13.7236 -13.7236 -13.7066 -13.7066 -13.2738 -13.2738 -13.2446 -13.2446 -12.7697 -12.7697 -12.7530 -12.7530 -8.3336 -8.3336 -6.3681 -6.3681 -6.2696 -6.2696 -2.5736 -2.5736 -2.3675 -2.3675 -1.6702 -1.6702 -1.3955 -1.3955 -0.8510 -0.8510 -0.8397 -0.8397 0.0435 0.0435 0.1183 0.1183 0.7916 0.7916 1.0066 1.0066 1.1552 1.1552 1.1873 1.1873 1.4525 1.4525 1.7879 1.7879 1.8559 1.8559 1.8993 1.8993 2.0102 2.0102 2.0760 2.0760 2.6118 2.6118 2.6743 2.6743 3.3810 3.3810 3.3971 3.3971 3.5483 3.5483 3.5862 3.5862 9.9290 9.9290 10.3595 10.3595 10.4114 10.4114 10.8757 10.8757 10.9412 10.9412 11.1438 11.1438 12.6484 12.6484 k = 0.3583 0.5340 0.3401 ( 6950 PWs) bands (ev): -21.7709 -21.7709 -14.6508 -14.6508 -14.6353 -14.6353 -13.7245 -13.7245 -13.7118 -13.7118 -13.2737 -13.2737 -13.2448 -13.2448 -12.7674 -12.7674 -12.7546 -12.7546 -8.3335 -8.3335 -6.3682 -6.3682 -6.2693 -6.2693 -2.5421 -2.5421 -2.3830 -2.3830 -1.6436 -1.6436 -1.4331 -1.4331 -0.8550 -0.8550 -0.8437 -0.8437 0.0459 0.0459 0.1240 0.1240 0.7923 0.7923 1.0081 1.0081 1.1586 1.1586 1.1829 1.1829 1.4513 1.4513 1.8080 1.8080 1.8555 1.8555 1.8940 1.8940 2.0180 2.0180 2.0702 2.0702 2.6033 2.6033 2.6533 2.6533 3.3818 3.3818 3.3962 3.3962 3.5497 3.5497 3.5850 3.5850 9.9355 9.9355 10.3703 10.3703 10.4233 10.4233 10.8718 10.8718 10.9356 10.9356 11.1152 11.1152 12.6477 12.6477 k = 0.3500 0.5485 0.3401 ( 6954 PWs) bands (ev): -21.7708 -21.7708 -14.6469 -14.6469 -14.6361 -14.6361 -13.7248 -13.7248 -13.7162 -13.7162 -13.2736 -13.2736 -13.2450 -13.2450 -12.7652 -12.7652 -12.7564 -12.7564 -8.3335 -8.3335 -6.3683 -6.3683 -6.2691 -6.2691 -2.5110 -2.5110 -2.4024 -2.4024 -1.6138 -1.6138 -1.4709 -1.4709 -0.8573 -0.8573 -0.8472 -0.8472 0.0476 0.0476 0.1282 0.1282 0.7930 0.7930 1.0090 1.0090 1.1623 1.1623 1.1785 1.1785 1.4505 1.4505 1.8262 1.8262 1.8553 1.8553 1.8871 1.8871 2.0264 2.0264 2.0624 2.0624 2.6001 2.6001 2.6350 2.6350 3.3823 3.3823 3.3957 3.3957 3.5508 3.5508 3.5841 3.5841 9.9400 9.9400 10.3789 10.3789 10.4321 10.4321 10.8740 10.8740 10.9273 10.9273 11.0933 11.0933 12.6480 12.6480 k = 0.3417 0.5629 0.3401 ( 6952 PWs) bands (ev): -21.7708 -21.7708 -14.6433 -14.6433 -14.6377 -14.6377 -13.7242 -13.7242 -13.7197 -13.7197 -13.2735 -13.2735 -13.2451 -13.2451 -12.7629 -12.7629 -12.7584 -12.7584 -8.3335 -8.3335 -6.3683 -6.3683 -6.2690 -6.2690 -2.4807 -2.4807 -2.4253 -2.4253 -1.5810 -1.5810 -1.5085 -1.5085 -0.8581 -0.8581 -0.8500 -0.8500 0.0487 0.0487 0.1308 0.1308 0.7934 0.7934 1.0094 1.0094 1.1660 1.1660 1.1744 1.1744 1.4499 1.4499 1.8413 1.8413 1.8551 1.8551 1.8791 1.8791 2.0352 2.0352 2.0534 2.0534 2.6021 2.6021 2.6201 2.6201 3.3826 3.3826 3.3954 3.3954 3.5515 3.5515 3.5835 3.5835 9.9427 9.9427 10.3845 10.3845 10.4375 10.4375 10.8822 10.8822 10.9151 10.9151 11.0801 11.0801 12.6489 12.6489 k = 0.3333 0.5774 0.3401 ( 6972 PWs) bands (ev): -21.7708 -21.7708 -14.6405 -14.6405 -14.6398 -14.6398 -13.7234 -13.7234 -13.7215 -13.7215 -13.2735 -13.2735 -13.2451 -13.2451 -12.7608 -12.7608 -12.7604 -12.7604 -8.3334 -8.3334 -6.3683 -6.3683 -6.2689 -6.2689 -2.4534 -2.4534 -2.4501 -2.4501 -1.5461 -1.5461 -1.5451 -1.5451 -0.8580 -0.8580 -0.8512 -0.8512 0.0490 0.0490 0.1317 0.1317 0.7935 0.7935 1.0095 1.0095 1.1689 1.1689 1.1714 1.1714 1.4498 1.4498 1.8490 1.8490 1.8547 1.8547 1.8742 1.8742 2.0430 2.0430 2.0453 2.0453 2.6075 2.6075 2.6104 2.6104 3.3826 3.3826 3.3953 3.3953 3.5517 3.5517 3.5833 3.5833 9.9436 9.9436 10.3864 10.3864 10.4393 10.4393 10.8924 10.8924 10.9033 10.9033 11.0760 11.0760 12.6496 12.6496 k = 0.3333 0.5774 0.3401 ( 6972 PWs) bands (ev): -21.7708 -21.7708 -14.6405 -14.6405 -14.6398 -14.6398 -13.7234 -13.7234 -13.7215 -13.7215 -13.2735 -13.2735 -13.2451 -13.2451 -12.7608 -12.7608 -12.7604 -12.7604 -8.3334 -8.3334 -6.3683 -6.3683 -6.2689 -6.2689 -2.4534 -2.4534 -2.4501 -2.4501 -1.5461 -1.5461 -1.5451 -1.5451 -0.8580 -0.8580 -0.8512 -0.8512 0.0490 0.0490 0.1317 0.1317 0.7935 0.7935 1.0095 1.0095 1.1689 1.1689 1.1714 1.1714 1.4498 1.4498 1.8490 1.8490 1.8547 1.8547 1.8742 1.8742 2.0430 2.0430 2.0453 2.0453 2.6075 2.6075 2.6104 2.6104 3.3826 3.3826 3.3953 3.3953 3.5517 3.5517 3.5833 3.5833 9.9436 9.9436 10.3864 10.3864 10.4393 10.4393 10.8924 10.8924 10.9033 10.9033 11.0760 11.0760 12.6496 12.6496 k = 0.3250 0.5629 0.3401 ( 6954 PWs) bands (ev): -21.7708 -21.7708 -14.6435 -14.6435 -14.6376 -14.6376 -13.7242 -13.7242 -13.7197 -13.7197 -13.2735 -13.2735 -13.2451 -13.2451 -12.7630 -12.7630 -12.7583 -12.7583 -8.3335 -8.3335 -6.3683 -6.3683 -6.2690 -6.2690 -2.4813 -2.4813 -2.4248 -2.4248 -1.5816 -1.5816 -1.5079 -1.5079 -0.8584 -0.8584 -0.8496 -0.8496 0.0486 0.0486 0.1308 0.1308 0.7934 0.7934 1.0095 1.0095 1.1661 1.1661 1.1743 1.1743 1.4499 1.4499 1.8410 1.8410 1.8553 1.8553 1.8793 1.8793 2.0358 2.0358 2.0529 2.0529 2.6022 2.6022 2.6199 2.6199 3.3826 3.3826 3.3954 3.3954 3.5515 3.5515 3.5835 3.5835 9.9427 9.9427 10.3845 10.3845 10.4373 10.4373 10.8792 10.8792 10.9186 10.9186 11.0796 11.0796 12.6482 12.6482 k = 0.3167 0.5485 0.3401 ( 6958 PWs) bands (ev): -21.7708 -21.7708 -14.6476 -14.6476 -14.6357 -14.6357 -13.7244 -13.7244 -13.7161 -13.7161 -13.2735 -13.2735 -13.2450 -13.2450 -12.7655 -12.7655 -12.7561 -12.7561 -8.3335 -8.3335 -6.3683 -6.3683 -6.2691 -6.2691 -2.5137 -2.5137 -2.4007 -2.4007 -1.6161 -1.6161 -1.4684 -1.4684 -0.8592 -0.8592 -0.8451 -0.8451 0.0475 0.0475 0.1279 0.1279 0.7930 0.7930 1.0095 1.0095 1.1627 1.1627 1.1780 1.1780 1.4504 1.4504 1.8253 1.8253 1.8558 1.8558 1.8880 1.8880 2.0289 2.0289 2.0608 2.0608 2.6005 2.6005 2.6343 2.6343 3.3825 3.3825 3.3956 3.3956 3.5508 3.5508 3.5841 3.5841 9.9404 9.9404 10.3791 10.3791 10.4313 10.4313 10.8626 10.8626 10.9424 10.9424 11.0891 11.0891 12.6421 12.6421 k = 0.3083 0.5340 0.3401 ( 6950 PWs) bands (ev): -21.7709 -21.7709 -14.6527 -14.6527 -14.6345 -14.6345 -13.7234 -13.7234 -13.7113 -13.7113 -13.2736 -13.2736 -13.2449 -13.2449 -12.7683 -12.7683 -12.7539 -12.7539 -8.3336 -8.3336 -6.3681 -6.3681 -6.2694 -6.2694 -2.5486 -2.5486 -2.3802 -2.3802 -1.6485 -1.6485 -1.4274 -1.4274 -0.8595 -0.8595 -0.8384 -0.8384 0.0454 0.0454 0.1228 0.1228 0.7926 0.7926 1.0099 1.0099 1.1595 1.1595 1.1818 1.1818 1.4512 1.4512 1.8067 1.8067 1.8561 1.8561 1.8961 1.8961 2.0235 2.0235 2.0676 2.0676 2.6039 2.6039 2.6517 2.6517 3.3823 3.3823 3.3961 3.3961 3.5496 3.5496 3.5851 3.5851 9.9366 9.9366 10.3707 10.3707 10.4208 10.4208 10.8482 10.8482 10.9697 10.9697 11.1033 11.1033 12.6269 12.6269 k = 0.3000 0.5196 0.3401 ( 6946 PWs) bands (ev): -21.7709 -21.7709 -14.6587 -14.6587 -14.6339 -14.6339 -13.7211 -13.7211 -13.7053 -13.7053 -13.2736 -13.2736 -13.2447 -13.2447 -12.7712 -12.7712 -12.7518 -12.7518 -8.3337 -8.3337 -6.3680 -6.3680 -6.2698 -6.2698 -2.5858 -2.5858 -2.3639 -2.3639 -1.6781 -1.6781 -1.3853 -1.3853 -0.8590 -0.8590 -0.8299 -0.8299 0.0423 0.0423 0.1155 0.1155 0.7922 0.7922 1.0108 1.0108 1.1566 1.1566 1.1854 1.1854 1.4523 1.4523 1.7869 1.7869 1.8565 1.8565 1.9030 1.9030 2.0196 2.0196 2.0732 2.0732 2.6124 2.6124 2.6716 2.6716 3.3820 3.3820 3.3969 3.3969 3.5480 3.5480 3.5865 3.5865 9.9316 9.9316 10.3596 10.3596 10.4064 10.4064 10.8369 10.8369 10.9993 10.9993 11.1212 11.1212 12.5979 12.5979 k = 0.2917 0.5052 0.3401 ( 6962 PWs) bands (ev): -21.7710 -21.7710 -14.6657 -14.6657 -14.6342 -14.6342 -13.7174 -13.7174 -13.6982 -13.6982 -13.2736 -13.2736 -13.2444 -13.2444 -12.7743 -12.7743 -12.7497 -12.7497 -8.3338 -8.3338 -6.3677 -6.3677 -6.2704 -6.2704 -2.6251 -2.6251 -2.3529 -2.3529 -1.7045 -1.7045 -1.3426 -1.3426 -0.8574 -0.8574 -0.8198 -0.8198 0.0380 0.0380 0.1060 0.1060 0.7923 0.7923 1.0126 1.0126 1.1539 1.1539 1.1890 1.1890 1.4536 1.4536 1.7667 1.7667 1.8568 1.8568 1.9086 1.9086 2.0170 2.0170 2.0774 2.0774 2.6257 2.6257 2.6935 2.6935 3.3814 3.3814 3.3983 3.3983 3.5458 3.5458 3.5884 3.5884 9.9254 9.9254 10.3454 10.3454 10.3895 10.3895 10.8286 10.8286 11.0303 11.0303 11.1420 11.1420 12.5518 12.5518 k = 0.2833 0.4907 0.3401 ( 6958 PWs) bands (ev): -21.7711 -21.7711 -14.6735 -14.6735 -14.6352 -14.6352 -13.7123 -13.7123 -13.6898 -13.6898 -13.2736 -13.2736 -13.2441 -13.2441 -12.7775 -12.7775 -12.7478 -12.7478 -8.3339 -8.3339 -6.3674 -6.3674 -6.2711 -6.2711 -2.6660 -2.6660 -2.3477 -2.3477 -1.7270 -1.7270 -1.2996 -1.2996 -0.8546 -0.8546 -0.8082 -0.8082 0.0322 0.0322 0.0941 0.0941 0.7929 0.7929 1.0155 1.0155 1.1515 1.1515 1.1924 1.1924 1.4551 1.4551 1.7469 1.7469 1.8571 1.8571 1.9131 1.9131 2.0155 2.0155 2.0804 2.0804 2.6436 2.6436 2.7173 2.7173 3.3804 3.3804 3.4003 3.4003 3.5431 3.5431 3.5906 3.5906 9.9182 9.9182 10.3271 10.3271 10.3726 10.3726 10.8228 10.8228 11.0618 11.0618 11.1655 11.1655 12.4896 12.4896 k = 0.2750 0.4763 0.3401 ( 6966 PWs) bands (ev): -21.7712 -21.7712 -14.6823 -14.6823 -14.6370 -14.6370 -13.7058 -13.7058 -13.6802 -13.6802 -13.2737 -13.2737 -13.2437 -13.2437 -12.7808 -12.7808 -12.7460 -12.7460 -8.3341 -8.3341 -6.3670 -6.3670 -6.2720 -6.2720 -2.7085 -2.7085 -2.3490 -2.3490 -1.7454 -1.7454 -1.2567 -1.2567 -0.8504 -0.8504 -0.7951 -0.7951 0.0248 0.0248 0.0801 0.0801 0.7946 0.7946 1.0197 1.0197 1.1494 1.1494 1.1959 1.1959 1.4567 1.4567 1.7280 1.7280 1.8574 1.8574 1.9165 1.9165 2.0149 2.0149 2.0824 2.0824 2.6656 2.6656 2.7424 2.7424 3.3791 3.3791 3.4029 3.4029 3.5399 3.5399 3.5932 3.5932 9.9101 9.9101 10.3038 10.3038 10.3579 10.3579 10.8186 10.8186 11.0931 11.0931 11.1912 11.1912 12.4153 12.4153 k = 0.2667 0.4619 0.3401 ( 6962 PWs) bands (ev): -21.7714 -21.7714 -14.6918 -14.6918 -14.6396 -14.6396 -13.6979 -13.6979 -13.6695 -13.6695 -13.2737 -13.2737 -13.2433 -13.2433 -12.7843 -12.7843 -12.7444 -12.7444 -8.3343 -8.3343 -6.3665 -6.3665 -6.2730 -6.2730 -2.7523 -2.7523 -2.3569 -2.3569 -1.7595 -1.7595 -1.2141 -1.2141 -0.8448 -0.8448 -0.7808 -0.7808 0.0154 0.0154 0.0640 0.0640 0.7976 0.7976 1.0256 1.0256 1.1476 1.1476 1.1993 1.1993 1.4585 1.4585 1.7104 1.7104 1.8577 1.8577 1.9191 1.9191 2.0151 2.0151 2.0839 2.0839 2.6909 2.6909 2.7689 2.7689 3.3775 3.3775 3.4061 3.4061 3.5363 3.5363 3.5961 3.5961 9.9011 9.9011 10.2761 10.2761 10.3459 10.3459 10.8150 10.8150 11.1235 11.1235 11.2188 11.2188 12.3334 12.3334 k = 0.2583 0.4474 0.3401 ( 6962 PWs) bands (ev): -21.7715 -21.7715 -14.7021 -14.7021 -14.6430 -14.6430 -13.6886 -13.6886 -13.6577 -13.6577 -13.2737 -13.2737 -13.2427 -13.2427 -12.7879 -12.7879 -12.7429 -12.7429 -8.3346 -8.3346 -6.3659 -6.3659 -6.2742 -6.2742 -2.7971 -2.7971 -2.3713 -2.3713 -1.7696 -1.7696 -1.1723 -1.1723 -0.8377 -0.8377 -0.7653 -0.7653 0.0036 0.0036 0.0463 0.0463 0.8022 0.8022 1.0332 1.0332 1.1459 1.1459 1.2028 1.2028 1.4603 1.4603 1.6942 1.6942 1.8580 1.8580 1.9209 1.9209 2.0158 2.0158 2.0849 2.0849 2.7191 2.7191 2.7963 2.7963 3.3757 3.3757 3.4098 3.4098 3.5324 3.5324 3.5993 3.5993 9.8913 9.8913 10.2455 10.2455 10.3363 10.3363 10.8113 10.8113 11.1522 11.1522 11.2482 11.2482 12.2475 12.2475 k = 0.2500 0.4330 0.3401 ( 6954 PWs) bands (ev): -21.7717 -21.7717 -14.7131 -14.7131 -14.6471 -14.6471 -13.6780 -13.6780 -13.6449 -13.6449 -13.2737 -13.2737 -13.2421 -13.2421 -12.7916 -12.7916 -12.7416 -12.7416 -8.3349 -8.3349 -6.3653 -6.3653 -6.2756 -6.2756 -2.8428 -2.8428 -2.3915 -2.3915 -1.7765 -1.7765 -1.1316 -1.1316 -0.8289 -0.8289 -0.7488 -0.7488 -0.0113 -0.0113 0.0277 0.0277 0.8087 0.8087 1.0427 1.0427 1.1444 1.1444 1.2065 1.2065 1.4622 1.4622 1.6796 1.6796 1.8583 1.8583 1.9219 1.9219 2.0173 2.0173 2.0860 2.0860 2.7496 2.7496 2.8246 2.8246 3.3738 3.3738 3.4140 3.4140 3.5281 3.5281 3.6027 3.6027 9.8808 9.8808 10.2132 10.2132 10.3286 10.3286 10.8070 10.8070 11.1784 11.1784 11.2789 11.2789 12.1605 12.1605 k = 0.2417 0.4186 0.3401 ( 6962 PWs) bands (ev): -21.7719 -21.7719 -14.7247 -14.7247 -14.6519 -14.6519 -13.6661 -13.6661 -13.6312 -13.6312 -13.2737 -13.2737 -13.2415 -13.2415 -12.7953 -12.7953 -12.7405 -12.7405 -8.3352 -8.3352 -6.3646 -6.3646 -6.2771 -6.2771 -2.8891 -2.8891 -2.4168 -2.4168 -1.7807 -1.7807 -1.0921 -1.0921 -0.8186 -0.8186 -0.7313 -0.7313 -0.0300 -0.0300 0.0090 0.0090 0.8172 0.8172 1.0541 1.0541 1.1431 1.1431 1.2105 1.2105 1.4642 1.4642 1.6665 1.6665 1.8587 1.8587 1.9224 1.9224 2.0193 2.0193 2.0871 2.0871 2.7820 2.7820 2.8536 2.8536 3.3718 3.3718 3.4184 3.4184 3.5237 3.5237 3.6062 3.6062 9.8696 9.8696 10.1802 10.1802 10.3225 10.3225 10.8016 10.8016 11.2013 11.2013 11.3105 11.3105 12.0747 12.0747 k = 0.2333 0.4041 0.3401 ( 6960 PWs) bands (ev): -21.7722 -21.7722 -14.7368 -14.7368 -14.6573 -14.6573 -13.6529 -13.6529 -13.6166 -13.6166 -13.2736 -13.2736 -13.2408 -13.2408 -12.7992 -12.7992 -12.7396 -12.7396 -8.3355 -8.3355 -6.3637 -6.3637 -6.2788 -6.2788 -2.9358 -2.9358 -2.4465 -2.4465 -1.7832 -1.7832 -1.0541 -1.0541 -0.8068 -0.8068 -0.7131 -0.7131 -0.0524 -0.0524 -0.0095 -0.0095 0.8278 0.8278 1.0673 1.0673 1.1420 1.1420 1.2150 1.2150 1.4662 1.4662 1.6549 1.6549 1.8593 1.8593 1.9223 1.9223 2.0219 2.0219 2.0885 2.0885 2.8157 2.8157 2.8832 2.8832 3.3697 3.3697 3.4231 3.4231 3.5192 3.5192 3.6098 3.6098 9.8577 9.8577 10.1470 10.1470 10.3180 10.3180 10.7948 10.7948 11.2197 11.2197 11.3427 11.3427 11.9924 11.9924 k = 0.2250 0.3897 0.3401 ( 6972 PWs) bands (ev): -21.7724 -21.7724 -14.7494 -14.7494 -14.6632 -14.6632 -13.6386 -13.6386 -13.6012 -13.6012 -13.2735 -13.2735 -13.2401 -13.2401 -12.8031 -12.8031 -12.7390 -12.7390 -8.3359 -8.3359 -6.3628 -6.3628 -6.2806 -6.2806 -2.9829 -2.9829 -2.4795 -2.4795 -1.7846 -1.7846 -1.0179 -1.0179 -0.7935 -0.7935 -0.6943 -0.6943 -0.0781 -0.0781 -0.0279 -0.0279 0.8404 0.8404 1.0822 1.0822 1.1410 1.1410 1.2201 1.2201 1.4684 1.4684 1.6446 1.6446 1.8602 1.8602 1.9219 1.9219 2.0250 2.0250 2.0903 2.0903 2.8504 2.8504 2.9132 2.9132 3.3677 3.3677 3.4278 3.4278 3.5150 3.5150 3.6135 3.6135 9.8452 9.8452 10.1138 10.1138 10.3150 10.3150 10.7863 10.7863 11.2320 11.2320 11.3749 11.3749 11.9160 11.9160 k = 0.2167 0.3753 0.3401 ( 6972 PWs) bands (ev): -21.7727 -21.7727 -14.7623 -14.7623 -14.6697 -14.6697 -13.6233 -13.6233 -13.5851 -13.5851 -13.2733 -13.2733 -13.2393 -13.2393 -12.8070 -12.8070 -12.7387 -12.7387 -8.3363 -8.3363 -6.3618 -6.3618 -6.2826 -6.2826 -3.0299 -3.0299 -2.5152 -2.5152 -1.7856 -1.7856 -0.9834 -0.9834 -0.7789 -0.7789 -0.6751 -0.6751 -0.1064 -0.1064 -0.0466 -0.0466 0.8550 0.8550 1.0984 1.0984 1.1402 1.1402 1.2261 1.2261 1.4707 1.4707 1.6356 1.6356 1.8614 1.8614 1.9211 1.9211 2.0287 2.0287 2.0924 2.0924 2.8859 2.8859 2.9436 2.9436 3.3657 3.3657 3.4321 3.4321 3.5112 3.5112 3.6172 3.6172 9.8321 9.8321 10.0810 10.0810 10.3136 10.3136 10.7760 10.7760 11.2360 11.2360 11.4070 11.4070 11.8486 11.8486 k = 0.2083 0.3608 0.3401 ( 6976 PWs) bands (ev): -21.7730 -21.7730 -14.7754 -14.7754 -14.6766 -14.6766 -13.6070 -13.6070 -13.5685 -13.5685 -13.2731 -13.2731 -13.2385 -13.2385 -12.8109 -12.8109 -12.7386 -12.7386 -8.3368 -8.3368 -6.3607 -6.3607 -6.2848 -6.2848 -3.0770 -3.0770 -2.5529 -2.5529 -1.7866 -1.7866 -0.9509 -0.9509 -0.7630 -0.7630 -0.6556 -0.6556 -0.1365 -0.1365 -0.0658 -0.0658 0.8712 0.8712 1.1152 1.1152 1.1398 1.1398 1.2335 1.2335 1.4732 1.4732 1.6276 1.6276 1.8631 1.8631 1.9203 1.9203 2.0330 2.0330 2.0949 2.0949 2.9217 2.9217 2.9742 2.9742 3.3638 3.3638 3.4357 3.4357 3.5083 3.5083 3.6208 3.6208 9.8183 9.8183 10.0487 10.0487 10.3136 10.3136 10.7638 10.7638 11.2292 11.2292 11.4384 11.4384 11.7930 11.7930 k = 0.2000 0.3464 0.3401 ( 6968 PWs) bands (ev): -21.7733 -21.7733 -14.7888 -14.7888 -14.6839 -14.6839 -13.5899 -13.5899 -13.5514 -13.5514 -13.2729 -13.2729 -13.2377 -13.2377 -12.8149 -12.8149 -12.7388 -12.7388 -8.3373 -8.3373 -6.3595 -6.3595 -6.2871 -6.2871 -3.1237 -3.1237 -2.5919 -2.5919 -1.7880 -1.7880 -0.9203 -0.9203 -0.7461 -0.7461 -0.6360 -0.6360 -0.1678 -0.1678 -0.0855 -0.0855 0.8888 0.8888 1.1304 1.1304 1.1412 1.1412 1.2425 1.2425 1.4759 1.4759 1.6205 1.6205 1.8654 1.8654 1.9195 1.9195 2.0377 2.0377 2.0978 2.0978 2.9577 2.9577 3.0050 3.0050 3.3621 3.3621 3.4382 3.4382 3.5067 3.5067 3.6243 3.6243 9.8039 9.8039 10.0170 10.0170 10.3151 10.3151 10.7498 10.7498 11.2098 11.2098 11.4691 11.4691 11.7517 11.7517 k = 0.1917 0.3320 0.3401 ( 6964 PWs) bands (ev): -21.7736 -21.7736 -14.8022 -14.8022 -14.6914 -14.6914 -13.5720 -13.5720 -13.5340 -13.5340 -13.2726 -13.2726 -13.2369 -13.2369 -12.8188 -12.8188 -12.7394 -12.7394 -8.3378 -8.3378 -6.3582 -6.3582 -6.2894 -6.2894 -3.1700 -3.1700 -2.6319 -2.6319 -1.7900 -1.7900 -0.8917 -0.8917 -0.7284 -0.7284 -0.6164 -0.6164 -0.1999 -0.1999 -0.1057 -0.1057 0.9074 0.9074 1.1357 1.1357 1.1520 1.1520 1.2537 1.2537 1.4790 1.4790 1.6141 1.6141 1.8685 1.8685 1.9191 1.9191 2.0428 2.0428 2.1010 2.1010 2.9936 2.9936 3.0357 3.0357 3.3606 3.3606 3.4390 3.4390 3.5069 3.5069 3.6277 3.6277 9.7889 9.7889 9.9858 9.9858 10.3181 10.3181 10.7338 10.7338 11.1774 11.1774 11.4988 11.4988 11.7254 11.7254 k = 0.1833 0.3175 0.3401 ( 6958 PWs) bands (ev): -21.7739 -21.7739 -14.8156 -14.8156 -14.6991 -14.6991 -13.5535 -13.5535 -13.5163 -13.5163 -13.2722 -13.2722 -13.2361 -13.2361 -12.8227 -12.8227 -12.7402 -12.7402 -8.3383 -8.3383 -6.3569 -6.3569 -6.2919 -6.2919 -3.2157 -3.2157 -2.6723 -2.6723 -1.7926 -1.7926 -0.8652 -0.8652 -0.7099 -0.7099 -0.5971 -0.5971 -0.2325 -0.2325 -0.1263 -0.1263 0.9266 0.9266 1.1360 1.1360 1.1666 1.1666 1.2675 1.2675 1.4824 1.4824 1.6084 1.6084 1.8725 1.8725 1.9192 1.9192 2.0483 2.0483 2.1045 2.1045 3.0293 3.0293 3.0665 3.0665 3.3592 3.3592 3.4380 3.4380 3.5091 3.5091 3.6310 3.6310 9.7732 9.7732 9.9553 9.9553 10.3225 10.3225 10.7157 10.7157 11.1341 11.1341 11.5275 11.5275 11.7122 11.7122 k = 0.1750 0.3031 0.3401 ( 6954 PWs) bands (ev): -21.7742 -21.7742 -14.8290 -14.8290 -14.7070 -14.7070 -13.5344 -13.5344 -13.4984 -13.4984 -13.2717 -13.2717 -13.2353 -13.2353 -12.8265 -12.8265 -12.7414 -12.7414 -8.3389 -8.3389 -6.3555 -6.3555 -6.2945 -6.2945 -3.2606 -3.2606 -2.7128 -2.7128 -1.7958 -1.7958 -0.8407 -0.8407 -0.6909 -0.6909 -0.5779 -0.5779 -0.2652 -0.2652 -0.1470 -0.1470 0.9460 0.9460 1.1357 1.1357 1.1798 1.1798 1.2839 1.2839 1.4863 1.4863 1.6031 1.6031 1.8777 1.8777 1.9200 1.9200 2.0541 2.0541 2.1082 2.1082 3.0643 3.0643 3.0971 3.0971 3.3581 3.3581 3.4354 3.4354 3.5131 3.5131 3.6341 3.6341 9.7567 9.7567 9.9254 9.9254 10.3282 10.3282 10.6956 10.6956 11.0836 11.0836 11.5552 11.5552 11.7093 11.7093 k = 0.1667 0.2887 0.3401 ( 6940 PWs) bands (ev): -21.7745 -21.7745 -14.8422 -14.8422 -14.7150 -14.7150 -13.5150 -13.5150 -13.4806 -13.4806 -13.2712 -13.2712 -13.2346 -13.2346 -12.8303 -12.8303 -12.7430 -12.7430 -8.3395 -8.3395 -6.3541 -6.3541 -6.2972 -6.2972 -3.3047 -3.3047 -2.7532 -2.7532 -1.7998 -1.7998 -0.8181 -0.8181 -0.6716 -0.6716 -0.5592 -0.5592 -0.2976 -0.2976 -0.1677 -0.1677 0.9651 0.9651 1.1354 1.1354 1.1910 1.1910 1.3026 1.3026 1.4905 1.4905 1.5982 1.5982 1.8843 1.8843 1.9218 1.9218 2.0601 2.0601 2.1121 2.1121 3.0986 3.0986 3.1276 3.1276 3.3573 3.3573 3.4314 3.4314 3.5186 3.5186 3.6369 3.6369 9.7396 9.7396 9.8960 9.8960 10.3353 10.3353 10.6733 10.6733 11.0294 11.0294 11.5818 11.5818 11.7133 11.7133 k = 0.1583 0.2742 0.3401 ( 6944 PWs) bands (ev): -21.7749 -21.7749 -14.8552 -14.8552 -14.7229 -14.7229 -13.4952 -13.4952 -13.4627 -13.4627 -13.2706 -13.2706 -13.2338 -13.2338 -12.8340 -12.8340 -12.7448 -12.7448 -8.3400 -8.3400 -6.3526 -6.3526 -6.2999 -6.2999 -3.3476 -3.3476 -2.7931 -2.7931 -1.8044 -1.8044 -0.7975 -0.7975 -0.6521 -0.6521 -0.5408 -0.5408 -0.3297 -0.3297 -0.1883 -0.1883 0.9837 0.9837 1.1352 1.1352 1.2005 1.2005 1.3227 1.3227 1.4951 1.4951 1.5937 1.5937 1.8923 1.8923 1.9249 1.9249 2.0662 2.0662 2.1160 2.1160 3.1318 3.1318 3.1580 3.1580 3.3568 3.3568 3.4265 3.4265 3.5252 3.5252 3.6395 3.6395 9.7217 9.7217 9.8673 9.8673 10.3436 10.3436 10.6485 10.6485 10.9747 10.9747 11.6073 11.6073 11.7217 11.7217 k = 0.1500 0.2598 0.3401 ( 6948 PWs) bands (ev): -21.7752 -21.7752 -14.8679 -14.8679 -14.7308 -14.7308 -13.4753 -13.4753 -13.4451 -13.4451 -13.2699 -13.2699 -13.2332 -13.2332 -12.8376 -12.8376 -12.7471 -12.7471 -8.3407 -8.3407 -6.3511 -6.3511 -6.3027 -6.3027 -3.3894 -3.3894 -2.8322 -2.8322 -1.8094 -1.8094 -0.7789 -0.7789 -0.6327 -0.6327 -0.5229 -0.5229 -0.3610 -0.3610 -0.2086 -0.2086 1.0013 1.0013 1.1349 1.1349 1.2085 1.2085 1.3434 1.3434 1.5000 1.5000 1.5893 1.5893 1.9019 1.9019 1.9297 1.9297 2.0725 2.0725 2.1201 2.1201 3.1635 3.1635 3.1882 3.1882 3.3566 3.3566 3.4210 3.4210 3.5326 3.5326 3.6419 3.6419 9.7029 9.7029 9.8391 9.8391 10.3530 10.3530 10.6213 10.6213 10.9220 10.9220 11.6316 11.6316 11.7328 11.7328 k = 0.1417 0.2454 0.3401 ( 6944 PWs) bands (ev): -21.7756 -21.7756 -14.8803 -14.8803 -14.7386 -14.7386 -13.4553 -13.4553 -13.4278 -13.4278 -13.2692 -13.2692 -13.2325 -13.2325 -12.8411 -12.8411 -12.7496 -12.7496 -8.3413 -8.3413 -6.3495 -6.3495 -6.3054 -6.3054 -3.4298 -3.4298 -2.8705 -2.8705 -1.8150 -1.8150 -0.7621 -0.7621 -0.6134 -0.6134 -0.5056 -0.5056 -0.3915 -0.3915 -0.2284 -0.2284 1.0179 1.0179 1.1348 1.1348 1.2152 1.2152 1.3638 1.3638 1.5051 1.5051 1.5851 1.5851 1.9130 1.9130 1.9363 1.9363 2.0787 2.0787 2.1242 2.1242 3.1936 3.1936 3.2182 3.2182 3.3570 3.3570 3.4152 3.4152 3.5404 3.5404 3.6439 3.6439 9.6834 9.6834 9.8115 9.8115 10.3634 10.3634 10.5916 10.5916 10.8729 10.8729 11.6548 11.6548 11.7455 11.7455 k = 0.1333 0.2309 0.3401 ( 6952 PWs) bands (ev): -21.7759 -21.7759 -14.8922 -14.8922 -14.7462 -14.7462 -13.4354 -13.4354 -13.4108 -13.4108 -13.2685 -13.2685 -13.2319 -13.2319 -12.8445 -12.8445 -12.7525 -12.7525 -8.3419 -8.3419 -6.3480 -6.3480 -6.3082 -6.3082 -3.4687 -3.4687 -2.9076 -2.9076 -1.8208 -1.8208 -0.7471 -0.7471 -0.5944 -0.5944 -0.4887 -0.4887 -0.4208 -0.4208 -0.2475 -0.2475 1.0332 1.0332 1.1347 1.1347 1.2208 1.2208 1.3832 1.3832 1.5102 1.5102 1.5809 1.5809 1.9256 1.9256 1.9450 1.9450 2.0849 2.0849 2.1284 2.1284 3.2217 3.2217 3.2479 3.2479 3.3580 3.3580 3.4095 3.4095 3.5484 3.5484 3.6456 3.6456 9.6631 9.6631 9.7846 9.7846 10.3746 10.3746 10.5597 10.5597 10.8285 10.8285 11.6768 11.6768 11.7589 11.7589 k = 0.1250 0.2165 0.3401 ( 6936 PWs) bands (ev): -21.7763 -21.7763 -14.9037 -14.9037 -14.7536 -14.7536 -13.4156 -13.4156 -13.3942 -13.3942 -13.2677 -13.2677 -13.2313 -13.2313 -12.8477 -12.8477 -12.7558 -12.7558 -8.3425 -8.3425 -6.3465 -6.3465 -6.3109 -6.3109 -3.5060 -3.5060 -2.9434 -2.9434 -1.8268 -1.8268 -0.7339 -0.7339 -0.5759 -0.5759 -0.4727 -0.4727 -0.4489 -0.4489 -0.2658 -0.2658 1.0472 1.0472 1.1348 1.1348 1.2254 1.2254 1.4010 1.4010 1.5152 1.5152 1.5769 1.5769 1.9393 1.9393 1.9563 1.9563 2.0911 2.0911 2.1325 2.1325 3.2475 3.2475 3.2768 3.2768 3.3600 3.3600 3.4039 3.4039 3.5566 3.5566 3.6471 3.6471 9.6420 9.6420 9.7583 9.7583 10.3865 10.3865 10.5260 10.5260 10.7893 10.7893 11.6975 11.6975 11.7727 11.7727 k = 0.1167 0.2021 0.3401 ( 6940 PWs) bands (ev): -21.7766 -21.7766 -14.9147 -14.9147 -14.7608 -14.7608 -13.3962 -13.3962 -13.3783 -13.3783 -13.2668 -13.2668 -13.2308 -13.2308 -12.8508 -12.8508 -12.7593 -12.7593 -8.3431 -8.3431 -6.3449 -6.3449 -6.3136 -6.3136 -3.5415 -3.5415 -2.9777 -2.9777 -1.8330 -1.8330 -0.7223 -0.7223 -0.5580 -0.5580 -0.4764 -0.4764 -0.4564 -0.4564 -0.2833 -0.2833 1.0598 1.0598 1.1349 1.1349 1.2292 1.2292 1.4170 1.4170 1.5199 1.5199 1.5729 1.5729 1.9539 1.9539 1.9702 1.9702 2.0971 2.0971 2.1365 2.1365 3.2707 3.2707 3.3045 3.3045 3.3635 3.3635 3.3989 3.3989 3.5647 3.5647 3.6481 3.6481 9.6202 9.6202 9.7329 9.7329 10.3987 10.3987 10.4916 10.4916 10.7551 10.7551 11.7170 11.7170 11.7866 11.7866 k = 0.1083 0.1876 0.3401 ( 6928 PWs) bands (ev): -21.7769 -21.7769 -14.9251 -14.9251 -14.7676 -14.7676 -13.3772 -13.3772 -13.3629 -13.3629 -13.2660 -13.2660 -13.2303 -13.2303 -12.8537 -12.8537 -12.7631 -12.7631 -8.3437 -8.3437 -6.3434 -6.3434 -6.3162 -6.3162 -3.5751 -3.5751 -3.0103 -3.0103 -1.8392 -1.8392 -0.7123 -0.7123 -0.5408 -0.5408 -0.5015 -0.5015 -0.4417 -0.4417 -0.2997 -0.2997 1.0713 1.0713 1.1350 1.1350 1.2322 1.2322 1.4310 1.4310 1.5240 1.5240 1.5689 1.5689 1.9692 1.9692 1.9862 1.9862 2.1029 2.1029 2.1405 2.1405 3.2904 3.2904 3.3300 3.3300 3.3693 3.3693 3.3953 3.3953 3.5727 3.5727 3.6489 3.6489 9.5979 9.5979 9.7084 9.7084 10.4102 10.4102 10.4584 10.4584 10.7255 10.7255 11.7351 11.7351 11.8005 11.8005 k = 0.1000 0.1732 0.3401 ( 6924 PWs) bands (ev): -21.7772 -21.7772 -14.9349 -14.9349 -14.7741 -14.7741 -13.3589 -13.3589 -13.3481 -13.3481 -13.2651 -13.2651 -13.2299 -13.2299 -12.8565 -12.8565 -12.7671 -12.7671 -8.3443 -8.3443 -6.3420 -6.3420 -6.3187 -6.3187 -3.6067 -3.6067 -3.0412 -3.0412 -1.8453 -1.8453 -0.7036 -0.7036 -0.5269 -0.5269 -0.5230 -0.5230 -0.4277 -0.4277 -0.3149 -0.3149 1.0815 1.0815 1.1353 1.1353 1.2345 1.2345 1.4428 1.4428 1.5276 1.5276 1.5650 1.5650 1.9853 1.9853 2.0038 2.0038 2.1085 2.1085 2.1445 2.1445 3.3057 3.3057 3.3509 3.3509 3.3783 3.3783 3.3950 3.3950 3.5805 3.5805 3.6492 3.6492 9.5752 9.5752 9.6849 9.6849 10.4116 10.4116 10.4363 10.4363 10.7000 10.7000 11.7519 11.7519 11.8142 11.8142 k = 0.0917 0.1588 0.3401 ( 6916 PWs) bands (ev): -21.7775 -21.7775 -14.9440 -14.9440 -14.7801 -14.7801 -13.3416 -13.3416 -13.3339 -13.3339 -13.2642 -13.2642 -13.2295 -13.2295 -12.8591 -12.8591 -12.7712 -12.7712 -8.3449 -8.3449 -6.3406 -6.3406 -6.3211 -6.3211 -3.6362 -3.6362 -3.0701 -3.0701 -1.8512 -1.8512 -0.6963 -0.6963 -0.5477 -0.5477 -0.5089 -0.5089 -0.4147 -0.4147 -0.3287 -0.3287 1.0905 1.0905 1.1357 1.1357 1.2362 1.2362 1.4527 1.4527 1.5305 1.5305 1.5611 1.5611 2.0022 2.0022 2.0222 2.0222 2.1138 2.1138 2.1483 2.1483 3.3165 3.3165 3.3622 3.3622 3.3912 3.3912 3.4029 3.4029 3.5879 3.5879 3.6492 3.6492 9.5523 9.5523 9.6627 9.6627 10.3863 10.3863 10.4424 10.4424 10.6780 10.6780 11.7675 11.7675 11.8276 11.8276 k = 0.0833 0.1443 0.3401 ( 6912 PWs) bands (ev): -21.7778 -21.7778 -14.9525 -14.9525 -14.7858 -14.7858 -13.3260 -13.3260 -13.3197 -13.3197 -13.2633 -13.2633 -13.2292 -13.2292 -12.8615 -12.8615 -12.7755 -12.7755 -8.3455 -8.3455 -6.3393 -6.3393 -6.3234 -6.3234 -3.6635 -3.6635 -3.0969 -3.0969 -1.8569 -1.8569 -0.6902 -0.6902 -0.5682 -0.5682 -0.4947 -0.4947 -0.4031 -0.4031 -0.3406 -0.3406 1.0986 1.0986 1.1361 1.1361 1.2375 1.2375 1.4607 1.4607 1.5327 1.5327 1.5574 1.5574 2.0196 2.0196 2.0406 2.0406 2.1189 2.1189 2.1521 2.1521 3.3234 3.3234 3.3640 3.3640 3.4061 3.4061 3.4195 3.4195 3.5949 3.5949 3.6488 3.6488 9.5297 9.5297 9.6417 9.6417 10.3576 10.3576 10.4539 10.4539 10.6591 10.6591 11.7818 11.7818 11.8407 11.8407 k = 0.0750 0.1299 0.3401 ( 6908 PWs) bands (ev): -21.7781 -21.7781 -14.9603 -14.9603 -14.7910 -14.7910 -13.3127 -13.3127 -13.3051 -13.3051 -13.2625 -13.2625 -13.2289 -13.2289 -12.8637 -12.8637 -12.7799 -12.7799 -8.3460 -8.3460 -6.3380 -6.3380 -6.3255 -6.3255 -3.6885 -3.6885 -3.1216 -3.1216 -1.8622 -1.8622 -0.6850 -0.6850 -0.5869 -0.5869 -0.4817 -0.4817 -0.3937 -0.3937 -0.3500 -0.3500 1.1056 1.1056 1.1367 1.1367 1.2383 1.2383 1.4672 1.4672 1.5341 1.5341 1.5538 1.5538 2.0372 2.0372 2.0586 2.0586 2.1236 2.1236 2.1559 2.1559 3.3276 3.3276 3.3623 3.3623 3.4221 3.4221 3.4387 3.4387 3.6014 3.6014 3.6480 3.6480 9.5076 9.5076 9.6222 9.6222 10.3309 10.3309 10.4653 10.4653 10.6433 10.6433 11.7949 11.7949 11.8531 11.8531 k = 0.0667 0.1155 0.3401 ( 6904 PWs) bands (ev): -21.7783 -21.7783 -14.9673 -14.9673 -14.7957 -14.7957 -13.3014 -13.3014 -13.2908 -13.2908 -13.2616 -13.2616 -13.2286 -13.2286 -12.8656 -12.8656 -12.7842 -12.7842 -8.3464 -8.3464 -6.3369 -6.3369 -6.3274 -6.3274 -3.7112 -3.7112 -3.1439 -3.1439 -1.8672 -1.8672 -0.6808 -0.6808 -0.6037 -0.6037 -0.4700 -0.4700 -0.3883 -0.3883 -0.3549 -0.3549 1.1116 1.1116 1.1374 1.1374 1.2387 1.2387 1.4722 1.4722 1.5350 1.5350 1.5504 1.5504 2.0545 2.0545 2.0753 2.0753 2.1280 2.1280 2.1597 2.1597 3.3302 3.3302 3.3597 3.3597 3.4382 3.4382 3.4573 3.4573 3.6074 3.6074 3.6469 3.6469 9.4865 9.4865 9.6043 9.6043 10.3068 10.3068 10.4758 10.4758 10.6303 10.6303 11.8068 11.8068 11.8648 11.8648 k = 0.0583 0.1010 0.3401 ( 6904 PWs) bands (ev): -21.7785 -21.7785 -14.9735 -14.9735 -14.7999 -14.7999 -13.2916 -13.2916 -13.2773 -13.2773 -13.2608 -13.2608 -13.2283 -13.2283 -12.8674 -12.8674 -12.7884 -12.7884 -8.3469 -8.3469 -6.3359 -6.3359 -6.3292 -6.3292 -3.7313 -3.7313 -3.1639 -3.1639 -1.8717 -1.8717 -0.6774 -0.6774 -0.6187 -0.6187 -0.4599 -0.4599 -0.3884 -0.3884 -0.3538 -0.3538 1.1167 1.1167 1.1382 1.1382 1.2389 1.2389 1.4762 1.4762 1.5353 1.5353 1.5474 1.5474 2.0710 2.0710 2.0904 2.0904 2.1321 2.1321 2.1637 2.1637 3.3317 3.3317 3.3571 3.3571 3.4537 3.4537 3.4744 3.4744 3.6128 3.6128 3.6454 3.6454 9.4666 9.4666 9.5882 9.5882 10.2857 10.2857 10.4848 10.4848 10.6200 10.6200 11.8176 11.8176 11.8756 11.8756 k = 0.0500 0.0866 0.3401 ( 6904 PWs) bands (ev): -21.7787 -21.7787 -14.9790 -14.9790 -14.8036 -14.8036 -13.2831 -13.2831 -13.2653 -13.2653 -13.2599 -13.2599 -13.2281 -13.2281 -12.8690 -12.8690 -12.7923 -12.7923 -8.3473 -8.3473 -6.3350 -6.3350 -6.3307 -6.3307 -3.7489 -3.7489 -3.1813 -3.1813 -1.8757 -1.8757 -0.6747 -0.6747 -0.6317 -0.6317 -0.4516 -0.4516 -0.3917 -0.3917 -0.3490 -0.3490 1.1208 1.1208 1.1392 1.1392 1.2390 1.2390 1.4792 1.4792 1.5352 1.5352 1.5447 1.5447 2.0863 2.0863 2.1033 2.1033 2.1359 2.1359 2.1679 2.1679 3.3325 3.3325 3.3549 3.3549 3.4682 3.4682 3.4897 3.4897 3.6174 3.6174 3.6438 3.6438 9.4485 9.4485 9.5739 9.5739 10.2676 10.2676 10.4920 10.4920 10.6126 10.6126 11.8271 11.8271 11.8853 11.8853 k = 0.0417 0.0722 0.3401 ( 6902 PWs) bands (ev): -21.7789 -21.7789 -14.9837 -14.9837 -14.8068 -14.8068 -13.2760 -13.2760 -13.2594 -13.2594 -13.2544 -13.2544 -13.2278 -13.2278 -12.8703 -12.8703 -12.7959 -12.7959 -8.3476 -8.3476 -6.3342 -6.3342 -6.3320 -6.3320 -3.7639 -3.7639 -3.1963 -3.1963 -1.8792 -1.8792 -0.6726 -0.6726 -0.6428 -0.6428 -0.4452 -0.4452 -0.3954 -0.3954 -0.3432 -0.3432 1.1241 1.1241 1.1402 1.1402 1.2389 1.2389 1.4815 1.4815 1.5347 1.5347 1.5424 1.5424 2.1000 2.1000 2.1138 2.1138 2.1393 2.1393 2.1723 2.1723 3.3328 3.3328 3.3532 3.3532 3.4812 3.4812 3.5028 3.5028 3.6212 3.6212 3.6422 3.6422 9.4325 9.4325 9.5616 9.5616 10.2524 10.2524 10.4972 10.4972 10.6077 10.6077 11.8353 11.8353 11.8939 11.8939 k = 0.0333 0.0577 0.3401 ( 6902 PWs) bands (ev): -21.7790 -21.7790 -14.9875 -14.9875 -14.8094 -14.8094 -13.2703 -13.2703 -13.2585 -13.2585 -13.2457 -13.2457 -13.2274 -13.2274 -12.8714 -12.8714 -12.7991 -12.7991 -8.3479 -8.3479 -6.3337 -6.3337 -6.3330 -6.3330 -3.7762 -3.7762 -3.2086 -3.2086 -1.8821 -1.8821 -0.6710 -0.6710 -0.6519 -0.6519 -0.4408 -0.4408 -0.3979 -0.3979 -0.3378 -0.3378 1.1265 1.1265 1.1414 1.1414 1.2388 1.2388 1.4831 1.4831 1.5340 1.5340 1.5407 1.5407 2.1115 2.1115 2.1220 2.1220 2.1422 2.1422 2.1767 2.1767 3.3327 3.3327 3.3519 3.3519 3.4926 3.4926 3.5137 3.5137 3.6241 3.6241 3.6406 3.6406 9.4190 9.4190 9.5514 9.5514 10.2401 10.2401 10.5006 10.5006 10.6050 10.6050 11.8422 11.8422 11.9012 11.9012 k = 0.0250 0.0433 0.3401 ( 6910 PWs) bands (ev): -21.7791 -21.7791 -14.9905 -14.9905 -14.8114 -14.8114 -13.2662 -13.2662 -13.2575 -13.2575 -13.2391 -13.2391 -13.2268 -13.2268 -12.8722 -12.8722 -12.8017 -12.8017 -8.3481 -8.3481 -6.3341 -6.3341 -6.3329 -6.3329 -3.7859 -3.7859 -3.2182 -3.2182 -1.8844 -1.8844 -0.6698 -0.6698 -0.6589 -0.6589 -0.4384 -0.4384 -0.3992 -0.3992 -0.3334 -0.3334 1.1281 1.1281 1.1425 1.1425 1.2387 1.2387 1.4843 1.4843 1.5332 1.5332 1.5394 1.5394 2.1203 2.1203 2.1284 2.1284 2.1444 2.1444 2.1808 2.1808 3.3324 3.3324 3.3510 3.3510 3.5019 3.5019 3.5223 3.5223 3.6259 3.6259 3.6395 3.6395 9.4081 9.4081 9.5433 9.5433 10.2306 10.2306 10.5025 10.5025 10.6039 10.6039 11.8476 11.8476 11.9070 11.9070 k = 0.0167 0.0289 0.3401 ( 6910 PWs) bands (ev): -21.7792 -21.7792 -14.9926 -14.9926 -14.8129 -14.8129 -13.2636 -13.2636 -13.2564 -13.2564 -13.2348 -13.2348 -13.2258 -13.2258 -12.8728 -12.8728 -12.8036 -12.8036 -8.3483 -8.3483 -6.3347 -6.3347 -6.3326 -6.3326 -3.7928 -3.7928 -3.2251 -3.2251 -1.8860 -1.8860 -0.6692 -0.6692 -0.6638 -0.6638 -0.4373 -0.4373 -0.3994 -0.3994 -0.3301 -0.3301 1.1292 1.1292 1.1433 1.1433 1.2385 1.2385 1.4851 1.4851 1.5325 1.5325 1.5385 1.5385 2.1259 2.1259 2.1336 2.1336 2.1459 2.1459 2.1842 2.1842 3.3320 3.3320 3.3505 3.3505 3.5089 3.5089 3.5284 3.5284 3.6267 3.6267 3.6390 3.6390 9.4002 9.4002 9.5375 9.5375 10.2238 10.2238 10.5034 10.5034 10.6037 10.6037 11.8516 11.8516 11.9112 11.9112 k = 0.0083 0.0144 0.3401 ( 6910 PWs) bands (ev): -21.7792 -21.7792 -14.9939 -14.9939 -14.8138 -14.8138 -13.2623 -13.2623 -13.2555 -13.2555 -13.2327 -13.2327 -13.2247 -13.2247 -12.8732 -12.8732 -12.8048 -12.8048 -8.3484 -8.3484 -6.3351 -6.3351 -6.3323 -6.3323 -3.7969 -3.7969 -3.2292 -3.2292 -1.8870 -1.8870 -0.6692 -0.6692 -0.6664 -0.6664 -0.4370 -0.4370 -0.3993 -0.3993 -0.3281 -0.3281 1.1298 1.1298 1.1439 1.1439 1.2385 1.2385 1.4855 1.4855 1.5320 1.5320 1.5380 1.5380 2.1287 2.1287 2.1374 2.1374 2.1466 2.1466 2.1864 2.1864 3.3318 3.3318 3.3503 3.3503 3.5132 3.5132 3.5321 3.5321 3.6269 3.6269 3.6389 3.6389 9.3954 9.3954 9.5340 9.5340 10.2198 10.2198 10.5037 10.5037 10.6039 10.6039 11.8540 11.8540 11.9138 11.9138 k = 0.0000 0.0000 0.3401 ( 6896 PWs) bands (ev): -21.7792 -21.7792 -14.9943 -14.9943 -14.8141 -14.8141 -13.2619 -13.2619 -13.2551 -13.2551 -13.2321 -13.2321 -13.2242 -13.2242 -12.8733 -12.8733 -12.8052 -12.8052 -8.3484 -8.3484 -6.3352 -6.3352 -6.3323 -6.3323 -3.7983 -3.7983 -3.2306 -3.2306 -1.8874 -1.8874 -0.6695 -0.6695 -0.6669 -0.6669 -0.4369 -0.4369 -0.3992 -0.3992 -0.3274 -0.3274 1.1300 1.1300 1.1441 1.1441 1.2384 1.2384 1.4857 1.4857 1.5318 1.5318 1.5379 1.5379 2.1296 2.1296 2.1388 2.1388 2.1468 2.1468 2.1871 2.1871 3.3317 3.3317 3.3502 3.3502 3.5147 3.5147 3.5334 3.5334 3.6269 3.6269 3.6389 3.6389 9.3938 9.3938 9.5328 9.5328 10.2185 10.2185 10.5038 10.5038 10.6040 10.6040 11.8548 11.8548 11.9146 11.9146 k = 0.5000 0.2887 0.3401 ( 6960 PWs) bands (ev): -21.7717 -21.7717 -14.7064 -14.7064 -14.6556 -14.6556 -13.6909 -13.6909 -13.6251 -13.6251 -13.2850 -13.2850 -13.2340 -13.2340 -12.7899 -12.7899 -12.7452 -12.7452 -8.3349 -8.3349 -6.3668 -6.3668 -6.2741 -6.2741 -2.8818 -2.8818 -2.3981 -2.3981 -1.7760 -1.7760 -1.0302 -1.0302 -0.7801 -0.7801 -0.6998 -0.6998 -0.0325 -0.0325 -0.0181 -0.0181 0.8456 0.8456 0.8986 0.8986 1.1421 1.1421 1.2296 1.2296 1.4835 1.4835 1.5528 1.5528 1.8903 1.8903 1.9096 1.9096 1.9321 1.9321 1.9837 1.9837 2.9083 2.9083 3.0030 3.0030 3.3595 3.3595 3.3791 3.3791 3.5255 3.5255 3.6144 3.6144 9.7653 9.7653 10.1419 10.1419 10.3066 10.3066 10.9451 10.9451 11.3202 11.3202 11.5423 11.5423 12.0149 12.0149 k = 0.5000 0.2887 0.3239 ( 6958 PWs) bands (ev): -21.7717 -21.7717 -14.7069 -14.7069 -14.6552 -14.6552 -13.6908 -13.6908 -13.6250 -13.6250 -13.2850 -13.2850 -13.2339 -13.2339 -12.7900 -12.7900 -12.7452 -12.7452 -8.3349 -8.3349 -6.3668 -6.3668 -6.2741 -6.2741 -2.8814 -2.8814 -2.3985 -2.3985 -1.7763 -1.7763 -1.0301 -1.0301 -0.7799 -0.7799 -0.6990 -0.6990 -0.0325 -0.0325 -0.0181 -0.0181 0.8451 0.8451 0.8981 0.8981 1.1413 1.1413 1.2276 1.2276 1.4790 1.4790 1.5575 1.5575 1.8908 1.8908 1.9049 1.9049 1.9397 1.9397 1.9853 1.9853 2.9082 2.9082 3.0032 3.0032 3.3577 3.3577 3.3795 3.3795 3.5254 3.5254 3.6137 3.6137 9.7636 9.7636 10.1423 10.1423 10.3066 10.3066 10.9499 10.9499 11.3203 11.3203 11.5424 11.5424 12.0121 12.0121 k = 0.5000 0.2887 0.3077 ( 6958 PWs) bands (ev): -21.7717 -21.7717 -14.7082 -14.7082 -14.6539 -14.6539 -13.6905 -13.6905 -13.6249 -13.6249 -13.2852 -13.2852 -13.2338 -13.2338 -12.7904 -12.7904 -12.7453 -12.7453 -8.3349 -8.3349 -6.3668 -6.3668 -6.2740 -6.2740 -2.8804 -2.8804 -2.3995 -2.3995 -1.7774 -1.7774 -1.0298 -1.0298 -0.7793 -0.7793 -0.6966 -0.6966 -0.0327 -0.0327 -0.0182 -0.0182 0.8432 0.8432 0.8966 0.8966 1.1390 1.1390 1.2218 1.2218 1.4683 1.4683 1.5687 1.5687 1.8900 1.8900 1.9005 1.9005 1.9545 1.9545 1.9905 1.9905 2.9079 2.9079 3.0039 3.0039 3.3526 3.3526 3.3802 3.3802 3.5248 3.5248 3.6118 3.6118 9.7586 9.7586 10.1436 10.1436 10.3065 10.3065 10.9642 10.9642 11.3208 11.3208 11.5427 11.5427 12.0036 12.0036 k = 0.5000 0.2887 0.2915 ( 6964 PWs) bands (ev): -21.7717 -21.7717 -14.7102 -14.7102 -14.6520 -14.6520 -13.6901 -13.6901 -13.6247 -13.6247 -13.2854 -13.2854 -13.2336 -13.2336 -12.7909 -12.7909 -12.7454 -12.7454 -8.3348 -8.3348 -6.3668 -6.3668 -6.2739 -6.2739 -2.8788 -2.8788 -2.4013 -2.4013 -1.7791 -1.7791 -1.0293 -1.0293 -0.7781 -0.7781 -0.6929 -0.6929 -0.0331 -0.0331 -0.0183 -0.0183 0.8400 0.8400 0.8944 0.8944 1.1350 1.1350 1.2125 1.2125 1.4555 1.4555 1.5824 1.5824 1.8858 1.8858 1.9034 1.9034 1.9706 1.9706 2.0001 2.0001 2.9075 2.9075 3.0049 3.0049 3.3451 3.3451 3.3804 3.3804 3.5238 3.5238 3.6085 3.6085 9.7506 9.7506 10.1457 10.1457 10.3066 10.3066 10.9873 10.9873 11.3216 11.3216 11.5432 11.5432 11.9898 11.9898 k = 0.5000 0.2887 0.2753 ( 6956 PWs) bands (ev): -21.7717 -21.7717 -14.7127 -14.7127 -14.6496 -14.6496 -13.6896 -13.6896 -13.6244 -13.6244 -13.2857 -13.2857 -13.2333 -13.2333 -12.7917 -12.7917 -12.7455 -12.7455 -8.3348 -8.3348 -6.3668 -6.3668 -6.2738 -6.2738 -2.8764 -2.8764 -2.4037 -2.4037 -1.7814 -1.7814 -1.0288 -1.0288 -0.7762 -0.7762 -0.6880 -0.6880 -0.0335 -0.0335 -0.0184 -0.0184 0.8353 0.8353 0.8918 0.8918 1.1295 1.1295 1.2000 1.2000 1.4425 1.4425 1.5961 1.5961 1.8821 1.8821 1.9100 1.9100 1.9859 1.9859 2.0154 2.0154 2.9070 2.9070 3.0063 3.0063 3.3356 3.3356 3.3800 3.3800 3.5222 3.5222 3.6041 3.6041 9.7397 9.7397 10.1486 10.1486 10.3073 10.3073 11.0185 11.0185 11.3228 11.3228 11.5440 11.5440 11.9712 11.9712 k = 0.5000 0.2887 0.2591 ( 6968 PWs) bands (ev): -21.7717 -21.7717 -14.7156 -14.7156 -14.6468 -14.6468 -13.6889 -13.6889 -13.6240 -13.6240 -13.2861 -13.2861 -13.2329 -13.2329 -12.7926 -12.7926 -12.7456 -12.7456 -8.3347 -8.3347 -6.3668 -6.3668 -6.2736 -6.2736 -2.8735 -2.8735 -2.4068 -2.4068 -1.7842 -1.7842 -1.0283 -1.0283 -0.7733 -0.7733 -0.6821 -0.6821 -0.0340 -0.0340 -0.0186 -0.0186 0.8289 0.8289 0.8891 0.8891 1.1225 1.1225 1.1848 1.1848 1.4305 1.4305 1.6088 1.6088 1.8803 1.8803 1.9189 1.9189 2.0003 2.0003 2.0357 2.0357 2.9064 2.9064 3.0080 3.0080 3.3245 3.3245 3.3787 3.3787 3.5201 3.5201 3.5987 3.5987 9.7265 9.7265 10.1522 10.1522 10.3089 10.3089 11.0569 11.0569 11.3244 11.3244 11.5450 11.5450 11.9484 11.9484 k = 0.5000 0.2887 0.2429 ( 6948 PWs) bands (ev): -21.7717 -21.7717 -14.7187 -14.7187 -14.6438 -14.6438 -13.6880 -13.6880 -13.6236 -13.6236 -13.2865 -13.2865 -13.2324 -13.2324 -12.7937 -12.7937 -12.7458 -12.7458 -8.3347 -8.3347 -6.3669 -6.3669 -6.2735 -6.2735 -2.8701 -2.8701 -2.4105 -2.4105 -1.7874 -1.7874 -1.0279 -1.0279 -0.7693 -0.7693 -0.6756 -0.6756 -0.0346 -0.0346 -0.0189 -0.0189 0.8206 0.8206 0.8868 0.8868 1.1142 1.1142 1.1676 1.1676 1.4199 1.4199 1.6196 1.6196 1.8802 1.8802 1.9301 1.9301 2.0152 2.0152 2.0591 2.0591 2.9058 2.9058 3.0099 3.0099 3.3119 3.3119 3.3767 3.3767 3.5172 3.5172 3.5925 3.5925 9.7114 9.7114 10.1566 10.1566 10.3115 10.3115 11.1013 11.1013 11.3264 11.3264 11.5464 11.5464 11.9221 11.9221 k = 0.5000 0.2887 0.2267 ( 6950 PWs) bands (ev): -21.7717 -21.7717 -14.7220 -14.7220 -14.6408 -14.6408 -13.6871 -13.6871 -13.6231 -13.6231 -13.2869 -13.2869 -13.2320 -13.2320 -12.7949 -12.7949 -12.7460 -12.7460 -8.3346 -8.3346 -6.3669 -6.3669 -6.2732 -6.2732 -2.8661 -2.8661 -2.4148 -2.4148 -1.7910 -1.7910 -1.0278 -1.0278 -0.7642 -0.7642 -0.6687 -0.6687 -0.0353 -0.0353 -0.0192 -0.0192 0.8108 0.8108 0.8850 0.8850 1.1047 1.1047 1.1488 1.1488 1.4108 1.4108 1.6285 1.6285 1.8811 1.8811 1.9439 1.9439 2.0311 2.0311 2.0842 2.0842 2.9051 2.9051 3.0119 3.0119 3.2981 3.2981 3.3740 3.3740 3.5133 3.5133 3.5859 3.5859 9.6949 9.6949 10.1616 10.1616 10.3152 10.3152 11.1506 11.1506 11.3290 11.3290 11.5482 11.5482 11.8932 11.8932 k = 0.5000 0.2887 0.2105 ( 6964 PWs) bands (ev): -21.7717 -21.7717 -14.7253 -14.7253 -14.6377 -14.6377 -13.6861 -13.6861 -13.6226 -13.6226 -13.2874 -13.2874 -13.2314 -13.2314 -12.7963 -12.7963 -12.7463 -12.7463 -8.3346 -8.3346 -6.3669 -6.3669 -6.2730 -6.2730 -2.8616 -2.8616 -2.4195 -2.4195 -1.7947 -1.7947 -1.0280 -1.0280 -0.7579 -0.7579 -0.6615 -0.6615 -0.0360 -0.0360 -0.0195 -0.0195 0.7996 0.7996 0.8837 0.8837 1.0940 1.0940 1.1291 1.1291 1.4034 1.4034 1.6355 1.6355 1.8824 1.8824 1.9602 1.9602 2.0479 2.0479 2.1102 2.1102 2.9045 2.9045 3.0140 3.0140 3.2833 3.2833 3.3707 3.3707 3.5082 3.5082 3.5791 3.5791 9.6774 9.6774 10.1671 10.1671 10.3202 10.3202 11.2034 11.2034 11.3325 11.3325 11.5506 11.5506 11.8624 11.8624 k = 0.5000 0.2887 0.1943 ( 6952 PWs) bands (ev): -21.7717 -21.7717 -14.7285 -14.7285 -14.6346 -14.6346 -13.6850 -13.6850 -13.6221 -13.6221 -13.2880 -13.2880 -13.2309 -13.2309 -12.7977 -12.7977 -12.7465 -12.7465 -8.3345 -8.3345 -6.3669 -6.3669 -6.2728 -6.2728 -2.8568 -2.8568 -2.4247 -2.4247 -1.7986 -1.7986 -1.0285 -1.0285 -0.7504 -0.7504 -0.6543 -0.6543 -0.0368 -0.0368 -0.0199 -0.0199 0.7873 0.7873 0.8830 0.8830 1.0825 1.0825 1.1091 1.1091 1.3974 1.3974 1.6407 1.6407 1.8838 1.8838 1.9791 1.9791 2.0655 2.0655 2.1364 2.1364 2.9040 2.9040 3.0162 3.0162 3.2678 3.2678 3.3671 3.3671 3.5016 3.5016 3.5725 3.5725 9.6595 9.6595 10.1732 10.1732 10.3262 10.3262 11.2574 11.2574 11.3378 11.3378 11.5541 11.5541 11.8307 11.8307 k = 0.5000 0.2887 0.1782 ( 6950 PWs) bands (ev): -21.7717 -21.7717 -14.7317 -14.7317 -14.6317 -14.6317 -13.6838 -13.6838 -13.6215 -13.6215 -13.2885 -13.2885 -13.2304 -13.2304 -12.7992 -12.7992 -12.7468 -12.7468 -8.3344 -8.3344 -6.3669 -6.3669 -6.2725 -6.2725 -2.8517 -2.8517 -2.4302 -2.4302 -1.8025 -1.8025 -1.0292 -1.0292 -0.7420 -0.7420 -0.6473 -0.6473 -0.0376 -0.0376 -0.0203 -0.0203 0.7743 0.7743 0.8827 0.8827 1.0701 1.0701 1.0894 1.0894 1.3929 1.3929 1.6446 1.6446 1.8850 1.8850 2.0000 2.0000 2.0833 2.0833 2.1623 2.1623 2.9035 2.9035 3.0183 3.0183 3.2518 3.2518 3.3631 3.3631 3.4935 3.4935 3.5665 3.5665 9.6416 9.6416 10.1795 10.1795 10.3330 10.3330 11.3056 11.3056 11.3505 11.3505 11.5591 11.5591 11.7991 11.7991 k = 0.5000 0.2887 0.1620 ( 6954 PWs) bands (ev): -21.7717 -21.7717 -14.7347 -14.7347 -14.6289 -14.6289 -13.6826 -13.6826 -13.6209 -13.6209 -13.2890 -13.2890 -13.2298 -13.2298 -12.8007 -12.8007 -12.7471 -12.7471 -8.3343 -8.3343 -6.3670 -6.3670 -6.2723 -6.2723 -2.8463 -2.8463 -2.4359 -2.4359 -1.8063 -1.8063 -1.0303 -1.0303 -0.7328 -0.7328 -0.6406 -0.6406 -0.0383 -0.0383 -0.0207 -0.0207 0.7610 0.7610 0.8830 0.8830 1.0568 1.0568 1.0709 1.0709 1.3895 1.3895 1.6473 1.6473 1.8860 1.8860 2.0225 2.0225 2.1010 2.1010 2.1874 2.1874 2.9031 2.9031 3.0202 3.0202 3.2357 3.2357 3.3589 3.3589 3.4839 3.4839 3.5613 3.5613 9.6242 9.6242 10.1861 10.1861 10.3406 10.3406 11.3293 11.3293 11.3863 11.3863 11.5671 11.5671 11.7692 11.7692 k = 0.5000 0.2887 0.1458 ( 6960 PWs) bands (ev): -21.7717 -21.7717 -14.7375 -14.7375 -14.6264 -14.6264 -13.6815 -13.6815 -13.6204 -13.6204 -13.2895 -13.2895 -13.2293 -13.2293 -12.8021 -12.8021 -12.7473 -12.7473 -8.3343 -8.3343 -6.3670 -6.3670 -6.2720 -6.2720 -2.8409 -2.8409 -2.4418 -2.4418 -1.8100 -1.8100 -1.0315 -1.0315 -0.7231 -0.7231 -0.6344 -0.6344 -0.0391 -0.0391 -0.0212 -0.0212 0.7478 0.7478 0.8837 0.8837 1.0421 1.0421 1.0545 1.0545 1.3872 1.3872 1.6492 1.6492 1.8867 1.8867 2.0459 2.0459 2.1182 2.1182 2.2114 2.2114 2.9028 2.9028 3.0220 3.0220 3.2199 3.2199 3.3547 3.3547 3.4730 3.4730 3.5569 3.5569 9.6075 9.6075 10.1927 10.1927 10.3485 10.3485 11.3383 11.3383 11.4307 11.4307 11.5799 11.5799 11.7437 11.7437 k = 0.5000 0.2887 0.1296 ( 6972 PWs) bands (ev): -21.7717 -21.7717 -14.7401 -14.7401 -14.6240 -14.6240 -13.6803 -13.6803 -13.6199 -13.6199 -13.2900 -13.2900 -13.2288 -13.2288 -12.8036 -12.8036 -12.7476 -12.7476 -8.3342 -8.3342 -6.3670 -6.3670 -6.2718 -6.2718 -2.8355 -2.8355 -2.4476 -2.4476 -1.8134 -1.8134 -1.0328 -1.0328 -0.7130 -0.7130 -0.6288 -0.6288 -0.0398 -0.0398 -0.0216 -0.0216 0.7350 0.7350 0.8848 0.8848 1.0264 1.0264 1.0404 1.0404 1.3856 1.3856 1.6505 1.6505 1.8872 1.8872 2.0695 2.0695 2.1345 2.1345 2.2336 2.2336 2.9027 2.9027 3.0236 3.0236 3.2047 3.2047 3.3505 3.3505 3.4612 3.4612 3.5533 3.5533 9.5918 9.5918 10.1992 10.1992 10.3566 10.3566 11.3450 11.3450 11.4654 11.4654 11.5968 11.5968 11.7293 11.7293 k = 0.5000 0.2887 0.1134 ( 6972 PWs) bands (ev): -21.7717 -21.7717 -14.7425 -14.7425 -14.6218 -14.6218 -13.6792 -13.6792 -13.6194 -13.6194 -13.2905 -13.2905 -13.2283 -13.2283 -12.8049 -12.8049 -12.7479 -12.7479 -8.3341 -8.3341 -6.3670 -6.3670 -6.2715 -6.2715 -2.8302 -2.8302 -2.4533 -2.4533 -1.8166 -1.8166 -1.0342 -1.0342 -0.7029 -0.7029 -0.6240 -0.6240 -0.0404 -0.0404 -0.0221 -0.0221 0.7229 0.7229 0.8863 0.8863 1.0110 1.0110 1.0280 1.0280 1.3847 1.3847 1.6514 1.6514 1.8875 1.8875 2.0929 2.0929 2.1495 2.1495 2.2538 2.2538 2.9026 2.9026 3.0250 3.0250 3.1904 3.1904 3.3465 3.3465 3.4491 3.4491 3.5503 3.5503 9.5775 9.5775 10.2054 10.2054 10.3646 10.3646 11.3516 11.3516 11.4855 11.4855 11.6066 11.6066 11.7398 11.7398 k = 0.5000 0.2887 0.0972 ( 6958 PWs) bands (ev): -21.7717 -21.7717 -14.7445 -14.7445 -14.6199 -14.6199 -13.6782 -13.6782 -13.6189 -13.6189 -13.2909 -13.2909 -13.2279 -13.2279 -12.8061 -12.8061 -12.7481 -12.7481 -8.3341 -8.3341 -6.3670 -6.3670 -6.2713 -6.2713 -2.8253 -2.8253 -2.4587 -2.4587 -1.8194 -1.8194 -1.0356 -1.0356 -0.6931 -0.6931 -0.6200 -0.6200 -0.0410 -0.0410 -0.0225 -0.0225 0.7118 0.7118 0.8880 0.8880 0.9969 0.9969 1.0166 1.0166 1.3842 1.3842 1.6520 1.6520 1.8877 1.8877 2.1152 2.1152 2.1632 2.1632 2.2716 2.2716 2.9026 2.9026 3.0262 3.0262 3.1774 3.1774 3.3427 3.3427 3.4371 3.4371 3.5478 3.5478 9.5647 9.5647 10.2112 10.2112 10.3722 10.3722 11.3588 11.3588 11.4939 11.4939 11.6007 11.6007 11.7798 11.7798 k = 0.5000 0.2887 0.0810 ( 6948 PWs) bands (ev): -21.7717 -21.7717 -14.7463 -14.7463 -14.6183 -14.6183 -13.6773 -13.6773 -13.6186 -13.6186 -13.2912 -13.2912 -13.2275 -13.2275 -12.8072 -12.8072 -12.7483 -12.7483 -8.3340 -8.3340 -6.3671 -6.3671 -6.2711 -6.2711 -2.8207 -2.8207 -2.4636 -2.4636 -1.8218 -1.8218 -1.0369 -1.0369 -0.6839 -0.6839 -0.6169 -0.6169 -0.0415 -0.0415 -0.0229 -0.0229 0.7020 0.7020 0.8899 0.8899 0.9846 0.9846 1.0063 1.0063 1.3840 1.3840 1.6524 1.6524 1.8878 1.8878 2.1359 2.1359 2.1751 2.1751 2.2866 2.2866 2.9026 2.9026 3.0271 3.0271 3.1659 3.1659 3.3393 3.3393 3.4258 3.4258 3.5459 3.5459 9.5536 9.5536 10.2164 10.2164 10.3792 10.3792 11.3667 11.3667 11.4942 11.4942 11.5881 11.5881 11.8365 11.8365 k = 0.5000 0.2887 0.0648 ( 6936 PWs) bands (ev): -21.7717 -21.7717 -14.7478 -14.7478 -14.6170 -14.6170 -13.6766 -13.6766 -13.6182 -13.6182 -13.2915 -13.2915 -13.2272 -13.2272 -12.8081 -12.8081 -12.7485 -12.7485 -8.3340 -8.3340 -6.3671 -6.3671 -6.2710 -6.2710 -2.8168 -2.8168 -2.4679 -2.4679 -1.8239 -1.8239 -1.0380 -1.0380 -0.6755 -0.6755 -0.6146 -0.6146 -0.0420 -0.0420 -0.0232 -0.0232 0.6936 0.6936 0.8917 0.8917 0.9746 0.9746 0.9971 0.9971 1.3841 1.3841 1.6526 1.6526 1.8878 1.8878 2.1542 2.1542 2.1853 2.1853 2.2988 2.2988 2.9027 2.9027 3.0279 3.0279 3.1563 3.1563 3.3363 3.3363 3.4157 3.4157 3.5443 3.5443 9.5444 9.5444 10.2209 10.2209 10.3853 10.3853 11.3755 11.3755 11.4883 11.4883 11.5763 11.5763 11.8995 11.8995 k = 0.5000 0.2887 0.0486 ( 6924 PWs) bands (ev): -21.7717 -21.7717 -14.7490 -14.7490 -14.6159 -14.6159 -13.6759 -13.6759 -13.6180 -13.6180 -13.2918 -13.2918 -13.2270 -13.2270 -12.8089 -12.8089 -12.7487 -12.7487 -8.3339 -8.3339 -6.3671 -6.3671 -6.2708 -6.2708 -2.8135 -2.8135 -2.4714 -2.4714 -1.8255 -1.8255 -1.0389 -1.0389 -0.6684 -0.6684 -0.6132 -0.6132 -0.0423 -0.0423 -0.0235 -0.0235 0.6869 0.6869 0.8934 0.8934 0.9670 0.9670 0.9893 0.9893 1.3842 1.3842 1.6528 1.6528 1.8878 1.8878 2.1695 2.1695 2.1934 2.1934 2.3080 2.3080 2.9027 2.9027 3.0284 3.0284 3.1486 3.1486 3.3339 3.3339 3.4073 3.4073 3.5431 3.5431 9.5371 9.5371 10.2246 10.2246 10.3903 10.3903 11.3852 11.3852 11.4778 11.4778 11.5682 11.5682 11.9635 11.9635 k = 0.5000 0.2887 0.0324 ( 6926 PWs) bands (ev): -21.7717 -21.7717 -14.7498 -14.7498 -14.6152 -14.6152 -13.6755 -13.6755 -13.6178 -13.6178 -13.2920 -13.2920 -13.2268 -13.2268 -12.8094 -12.8094 -12.7488 -12.7488 -8.3339 -8.3339 -6.3671 -6.3671 -6.2707 -6.2707 -2.8111 -2.8111 -2.4740 -2.4740 -1.8266 -1.8266 -1.0396 -1.0396 -0.6630 -0.6630 -0.6124 -0.6124 -0.0426 -0.0426 -0.0237 -0.0237 0.6820 0.6820 0.8948 0.8948 0.9618 0.9618 0.9832 0.9832 1.3843 1.3843 1.6529 1.6529 1.8878 1.8878 2.1809 2.1809 2.1994 2.1994 2.3143 2.3143 2.9028 2.9028 3.0288 3.0288 3.1431 3.1431 3.3320 3.3320 3.4010 3.4010 3.5422 3.5422 9.5318 9.5318 10.2273 10.2273 10.3940 10.3940 11.3954 11.3954 11.4649 11.4649 11.5634 11.5634 12.0248 12.0248 k = 0.5000 0.2887 0.0162 ( 6942 PWs) bands (ev): -21.7717 -21.7717 -14.7503 -14.7503 -14.6147 -14.6147 -13.6752 -13.6752 -13.6177 -13.6177 -13.2921 -13.2921 -13.2267 -13.2267 -12.8098 -12.8098 -12.7488 -12.7488 -8.3339 -8.3339 -6.3671 -6.3671 -6.2707 -6.2707 -2.8096 -2.8096 -2.4756 -2.4756 -1.8273 -1.8273 -1.0400 -1.0400 -0.6595 -0.6595 -0.6121 -0.6121 -0.0427 -0.0427 -0.0238 -0.0238 0.6790 0.6790 0.8956 0.8956 0.9589 0.9589 0.9792 0.9792 1.3844 1.3844 1.6529 1.6529 1.8878 1.8878 2.1880 2.1880 2.2032 2.2032 2.3180 2.3180 2.9028 2.9028 3.0290 3.0290 3.1398 3.1398 3.3309 3.3309 3.3970 3.3970 3.5417 3.5417 9.5286 9.5286 10.2289 10.2289 10.3963 10.3963 11.4050 11.4050 11.4530 11.4530 11.5611 11.5611 12.0770 12.0770 k = 0.5000 0.2887-0.0000 ( 6936 PWs) bands (ev): -21.7717 -21.7717 -14.7505 -14.7505 -14.6145 -14.6145 -13.6751 -13.6751 -13.6176 -13.6176 -13.2921 -13.2921 -13.2266 -13.2266 -12.8099 -12.8099 -12.7489 -12.7489 -8.3339 -8.3339 -6.3671 -6.3671 -6.2707 -6.2707 -2.8091 -2.8091 -2.4761 -2.4761 -1.8275 -1.8275 -1.0402 -1.0402 -0.6583 -0.6583 -0.6120 -0.6120 -0.0428 -0.0428 -0.0238 -0.0238 0.6780 0.6780 0.8959 0.8959 0.9580 0.9580 0.9778 0.9778 1.3845 1.3845 1.6529 1.6529 1.8878 1.8878 2.1904 2.1904 2.2045 2.2045 2.3192 2.3192 2.9029 2.9029 3.0291 3.0291 3.1387 3.1387 3.3305 3.3305 3.3957 3.3957 3.5416 3.5416 9.5276 9.5276 10.2295 10.2295 10.3970 10.3970 11.4097 11.4097 11.4474 11.4474 11.5604 11.5604 12.1015 12.1015 k = 0.3333 0.5774-0.0000 ( 6963 PWs) bands (ev): -21.7708 -21.7708 -14.6478 -14.6478 -14.6468 -14.6468 -13.7029 -13.7029 -13.6998 -13.6998 -13.2787 -13.2787 -13.2398 -13.2398 -12.7774 -12.7774 -12.7763 -12.7763 -8.3314 -8.3314 -6.3667 -6.3667 -6.2645 -6.2645 -2.4371 -2.4371 -2.4345 -2.4345 -1.6346 -1.6346 -1.6336 -1.6336 -0.7059 -0.7059 -0.7051 -0.7051 0.0154 0.0154 0.1316 0.1316 0.7881 0.7881 0.9026 0.9026 0.9236 0.9236 0.9867 0.9867 1.3356 1.3356 1.8830 1.8830 1.8928 1.8928 2.2399 2.2399 2.2904 2.2904 2.2916 2.2916 2.6323 2.6323 2.6358 2.6358 3.2474 3.2474 3.2600 3.2600 3.3221 3.3221 3.5810 3.5810 9.6453 9.6453 10.4363 10.4363 10.4829 10.4829 11.0313 11.0313 11.0444 11.0444 12.1750 12.1750 12.3593 12.3593 k = 0.3333 0.5774 0.0162 ( 6957 PWs) bands (ev): -21.7708 -21.7708 -14.6477 -14.6477 -14.6467 -14.6467 -13.7032 -13.7032 -13.7001 -13.7001 -13.2783 -13.2783 -13.2402 -13.2402 -12.7771 -12.7771 -12.7761 -12.7761 -8.3315 -8.3315 -6.3667 -6.3667 -6.2648 -6.2648 -2.4373 -2.4373 -2.4345 -2.4345 -1.6328 -1.6328 -1.6319 -1.6319 -0.7072 -0.7072 -0.7064 -0.7064 0.0192 0.0192 0.1295 0.1295 0.7926 0.7926 0.9009 0.9009 0.9204 0.9204 0.9744 0.9744 1.3443 1.3443 1.8836 1.8836 1.8950 1.8950 2.2306 2.2306 2.2929 2.2929 2.2943 2.2943 2.6374 2.6374 2.6407 2.6407 3.2396 3.2396 3.2525 3.2525 3.3293 3.3293 3.5812 3.5812 9.6427 9.6427 10.4363 10.4363 10.4829 10.4829 11.0299 11.0299 11.0433 11.0433 12.2146 12.2146 12.3362 12.3362 k = 0.3333 0.5774 0.0324 ( 6957 PWs) bands (ev): -21.7708 -21.7708 -14.6475 -14.6475 -14.6465 -14.6465 -13.7037 -13.7037 -13.7007 -13.7007 -13.2779 -13.2779 -13.2406 -13.2406 -12.7766 -12.7766 -12.7757 -12.7757 -8.3316 -8.3316 -6.3668 -6.3668 -6.2651 -6.2651 -2.4377 -2.4377 -2.4348 -2.4348 -1.6301 -1.6301 -1.6293 -1.6293 -0.7100 -0.7100 -0.7094 -0.7094 0.0236 0.0236 0.1273 0.1273 0.7975 0.7975 0.9018 0.9018 0.9197 0.9197 0.9626 0.9626 1.3533 1.3533 1.8841 1.8841 1.8970 1.8970 2.2172 2.2172 2.2928 2.2928 2.2943 2.2943 2.6421 2.6421 2.6451 2.6451 3.2337 3.2337 3.2468 3.2468 3.3393 3.3393 3.5815 3.5815 9.6425 9.6425 10.4357 10.4357 10.4823 10.4823 11.0267 11.0267 11.0403 11.0403 12.2027 12.2027 12.3544 12.3544 k = 0.3333 0.5774 0.0486 ( 6942 PWs) bands (ev): -21.7708 -21.7708 -14.6473 -14.6473 -14.6463 -14.6463 -13.7045 -13.7045 -13.7015 -13.7015 -13.2774 -13.2774 -13.2411 -13.2411 -12.7760 -12.7760 -12.7751 -12.7751 -8.3317 -8.3317 -6.3670 -6.3670 -6.2654 -6.2654 -2.4383 -2.4383 -2.4352 -2.4352 -1.6266 -1.6266 -1.6259 -1.6259 -0.7143 -0.7143 -0.7140 -0.7140 0.0283 0.0283 0.1250 0.1250 0.8029 0.8029 0.9054 0.9054 0.9214 0.9214 0.9513 0.9513 1.3624 1.3624 1.8844 1.8844 1.8989 1.8989 2.2001 2.2001 2.2901 2.2901 2.2918 2.2918 2.6459 2.6459 2.6488 2.6488 3.2299 3.2299 3.2432 3.2432 3.3517 3.3517 3.5818 3.5818 9.6449 9.6449 10.4345 10.4345 10.4813 10.4813 11.0220 11.0220 11.0357 11.0357 12.1550 12.1550 12.3979 12.3979 k = 0.3333 0.5774 0.0648 ( 6954 PWs) bands (ev): -21.7708 -21.7708 -14.6469 -14.6469 -14.6460 -14.6460 -13.7054 -13.7054 -13.7025 -13.7025 -13.2769 -13.2769 -13.2416 -13.2416 -12.7752 -12.7752 -12.7744 -12.7744 -8.3319 -8.3319 -6.3671 -6.3671 -6.2657 -6.2657 -2.4391 -2.4391 -2.4358 -2.4358 -1.6224 -1.6224 -1.6218 -1.6218 -0.7201 -0.7201 -0.7200 -0.7200 0.0334 0.0334 0.1225 0.1225 0.8088 0.8088 0.9114 0.9114 0.9256 0.9256 0.9404 0.9404 1.3718 1.3718 1.8846 1.8846 1.9007 1.9007 2.1798 2.1798 2.2849 2.2849 2.2868 2.2868 2.6487 2.6487 2.6514 2.6514 3.2283 3.2283 3.2419 3.2419 3.3661 3.3661 3.5822 3.5822 9.6497 9.6497 10.4329 10.4329 10.4798 10.4798 11.0159 11.0159 11.0297 11.0297 12.0946 12.0946 12.4438 12.4438 k = 0.3333 0.5774 0.0810 ( 6945 PWs) bands (ev): -21.7708 -21.7708 -14.6466 -14.6466 -14.6456 -14.6456 -13.7065 -13.7065 -13.7037 -13.7037 -13.2764 -13.2764 -13.2421 -13.2421 -12.7742 -12.7742 -12.7735 -12.7735 -8.3320 -8.3320 -6.3672 -6.3672 -6.2661 -6.2661 -2.4399 -2.4399 -2.4365 -2.4365 -1.6175 -1.6175 -1.6170 -1.6170 -0.7276 -0.7276 -0.7271 -0.7271 0.0388 0.0388 0.1200 0.1200 0.8150 0.8150 0.9198 0.9198 0.9302 0.9302 0.9321 0.9321 1.3813 1.3813 1.8847 1.8847 1.9023 1.9023 2.1569 2.1569 2.2773 2.2773 2.2793 2.2793 2.6504 2.6504 2.6529 2.6529 3.2292 3.2292 3.2429 3.2429 3.3820 3.3820 3.5826 3.5826 9.6570 9.6570 10.4308 10.4308 10.4779 10.4779 11.0085 11.0085 11.0223 11.0223 12.0279 12.0279 12.4861 12.4861 k = 0.3333 0.5774 0.0972 ( 6939 PWs) bands (ev): -21.7708 -21.7708 -14.6461 -14.6461 -14.6452 -14.6452 -13.7077 -13.7077 -13.7050 -13.7050 -13.2758 -13.2758 -13.2427 -13.2427 -12.7731 -12.7731 -12.7725 -12.7725 -8.3322 -8.3322 -6.3674 -6.3674 -6.2665 -6.2665 -2.4409 -2.4409 -2.4374 -2.4374 -1.6120 -1.6120 -1.6117 -1.6117 -0.7362 -0.7362 -0.7353 -0.7353 0.0444 0.0444 0.1174 0.1174 0.8215 0.8215 0.9205 0.9205 0.9307 0.9307 0.9408 0.9408 1.3910 1.3910 1.8846 1.8846 1.9039 1.9039 2.1316 2.1316 2.2675 2.2675 2.2695 2.2695 2.6509 2.6509 2.6532 2.6532 3.2323 3.2323 3.2462 3.2462 3.3989 3.3989 3.5830 3.5830 9.6667 9.6667 10.4283 10.4283 10.4755 10.4755 11.0001 11.0001 11.0139 11.0139 11.9572 11.9572 12.5233 12.5233 k = 0.3333 0.5774 0.1134 ( 6921 PWs) bands (ev): -21.7708 -21.7708 -14.6456 -14.6456 -14.6448 -14.6448 -13.7091 -13.7091 -13.7065 -13.7065 -13.2753 -13.2753 -13.2433 -13.2433 -12.7720 -12.7720 -12.7715 -12.7715 -8.3324 -8.3324 -6.3675 -6.3675 -6.2669 -6.2669 -2.4420 -2.4420 -2.4384 -2.4384 -1.6060 -1.6060 -1.6058 -1.6058 -0.7459 -0.7459 -0.7445 -0.7445 0.0501 0.0501 0.1147 0.1147 0.8281 0.8281 0.9120 0.9120 0.9435 0.9435 0.9516 0.9516 1.4009 1.4009 1.8843 1.8843 1.9052 1.9052 2.1047 2.1047 2.2555 2.2555 2.2576 2.2576 2.6504 2.6504 2.6525 2.6525 3.2376 3.2376 3.2516 3.2516 3.4164 3.4164 3.5835 3.5835 9.6786 9.6786 10.4254 10.4254 10.4729 10.4729 10.9910 10.9910 11.0047 11.0047 11.8841 11.8841 12.5551 12.5551 k = 0.3333 0.5774 0.1296 ( 6933 PWs) bands (ev): -21.7708 -21.7708 -14.6451 -14.6451 -14.6443 -14.6443 -13.7105 -13.7105 -13.7080 -13.7080 -13.2747 -13.2747 -13.2438 -13.2438 -12.7707 -12.7707 -12.7704 -12.7704 -8.3325 -8.3325 -6.3676 -6.3676 -6.2673 -6.2673 -2.4432 -2.4432 -2.4394 -2.4394 -1.5997 -1.5997 -1.5995 -1.5995 -0.7564 -0.7564 -0.7544 -0.7544 0.0558 0.0558 0.1120 0.1120 0.8344 0.8344 0.9047 0.9047 0.9581 0.9581 0.9642 0.9642 1.4108 1.4108 1.8838 1.8838 1.9064 1.9064 2.0766 2.0766 2.2417 2.2417 2.2437 2.2437 2.6488 2.6488 2.6508 2.6508 3.2449 3.2449 3.2590 3.2590 3.4340 3.4340 3.5840 3.5840 9.6928 9.6928 10.4222 10.4222 10.4699 10.4699 10.9812 10.9812 10.9949 10.9949 11.8095 11.8095 12.5816 12.5816 k = 0.3333 0.5774 0.1458 ( 6927 PWs) bands (ev): -21.7708 -21.7708 -14.6446 -14.6446 -14.6438 -14.6438 -13.7120 -13.7120 -13.7096 -13.7096 -13.2742 -13.2742 -13.2444 -13.2444 -12.7695 -12.7695 -12.7692 -12.7692 -8.3327 -8.3327 -6.3678 -6.3678 -6.2677 -6.2677 -2.4444 -2.4444 -2.4405 -2.4405 -1.5931 -1.5931 -1.5930 -1.5930 -0.7675 -0.7675 -0.7650 -0.7650 0.0613 0.0613 0.1094 0.1094 0.8398 0.8398 0.8994 0.8994 0.9744 0.9744 0.9785 0.9785 1.4208 1.4208 1.8830 1.8830 1.9074 1.9074 2.0478 2.0478 2.2262 2.2262 2.2280 2.2280 2.6464 2.6464 2.6483 2.6483 3.2539 3.2539 3.2680 3.2680 3.4512 3.4512 3.5846 3.5846 9.7090 9.7090 10.4187 10.4187 10.4668 10.4668 10.9711 10.9711 10.9847 10.9847 11.7344 11.7344 12.6031 12.6031 k = 0.3333 0.5774 0.1620 ( 6942 PWs) bands (ev): -21.7708 -21.7708 -14.6441 -14.6441 -14.6432 -14.6432 -13.7136 -13.7136 -13.7113 -13.7113 -13.2737 -13.2737 -13.2449 -13.2449 -12.7682 -12.7682 -12.7681 -12.7681 -8.3329 -8.3329 -6.3679 -6.3679 -6.2680 -6.2680 -2.4456 -2.4456 -2.4417 -2.4417 -1.5864 -1.5864 -1.5863 -1.5863 -0.7790 -0.7790 -0.7759 -0.7759 0.0664 0.0664 0.1070 0.1070 0.8431 0.8431 0.8971 0.8971 0.9921 0.9921 0.9943 0.9943 1.4308 1.4308 1.8819 1.8819 1.9081 1.9081 2.0188 2.0188 2.2092 2.2092 2.2108 2.2108 2.6434 2.6434 2.6451 2.6451 3.2643 3.2643 3.2783 3.2783 3.4678 3.4678 3.5851 3.5851 9.7272 9.7272 10.4151 10.4151 10.4635 10.4635 10.9609 10.9609 10.9744 10.9744 11.6597 11.6597 12.6202 12.6202 k = 0.3333 0.5774 0.1782 ( 6942 PWs) bands (ev): -21.7708 -21.7708 -14.6435 -14.6435 -14.6427 -14.6427 -13.7151 -13.7151 -13.7129 -13.7129 -13.2732 -13.2732 -13.2454 -13.2454 -12.7669 -12.7669 -12.7669 -12.7669 -8.3330 -8.3330 -6.3681 -6.3681 -6.2683 -6.2683 -2.4468 -2.4468 -2.4428 -2.4428 -1.5797 -1.5797 -1.5796 -1.5796 -0.7905 -0.7905 -0.7868 -0.7868 0.0709 0.0709 0.1052 0.1052 0.8435 0.8435 0.8986 0.8986 1.0108 1.0108 1.0112 1.0112 1.4406 1.4406 1.8805 1.8805 1.9085 1.9085 1.9901 1.9901 2.1912 2.1912 2.1923 2.1923 2.6399 2.6399 2.6417 2.6417 3.2756 3.2756 3.2896 3.2896 3.4834 3.4834 3.5858 3.5858 9.7470 9.7470 10.4114 10.4114 10.4602 10.4602 10.9508 10.9508 10.9642 10.9642 11.5861 11.5861 12.6335 12.6335 k = 0.3333 0.5774 0.1943 ( 6945 PWs) bands (ev): -21.7708 -21.7708 -14.6430 -14.6430 -14.6422 -14.6422 -13.7166 -13.7166 -13.7145 -13.7145 -13.2728 -13.2728 -13.2458 -13.2458 -12.7658 -12.7658 -12.7657 -12.7657 -8.3332 -8.3332 -6.3682 -6.3682 -6.2686 -6.2686 -2.4480 -2.4480 -2.4440 -2.4440 -1.5731 -1.5731 -1.5731 -1.5731 -0.8018 -0.8018 -0.7977 -0.7977 0.0741 0.0741 0.1042 0.1042 0.8411 0.8411 0.9039 0.9039 1.0290 1.0290 1.0303 1.0303 1.4500 1.4500 1.8787 1.8787 1.9085 1.9085 1.9623 1.9623 2.1724 2.1724 2.1730 2.1730 2.6362 2.6362 2.6380 2.6380 3.2877 3.2877 3.3016 3.3016 3.4978 3.4978 3.5864 3.5864 9.7682 9.7682 10.4077 10.4077 10.4569 10.4569 10.9410 10.9410 10.9543 10.9543 11.5143 11.5143 12.6434 12.6434 k = 0.3333 0.5774 0.2105 ( 6954 PWs) bands (ev): -21.7708 -21.7708 -14.6425 -14.6425 -14.6417 -14.6417 -13.7180 -13.7180 -13.7160 -13.7160 -13.2725 -13.2725 -13.2461 -13.2461 -12.7647 -12.7647 -12.7646 -12.7646 -8.3333 -8.3333 -6.3683 -6.3683 -6.2689 -6.2689 -2.4491 -2.4491 -2.4451 -2.4451 -1.5670 -1.5670 -1.5669 -1.5669 -0.8127 -0.8127 -0.8081 -0.8081 0.0756 0.0756 0.1047 0.1047 0.8368 0.8368 0.9120 0.9120 1.0474 1.0474 1.0502 1.0502 1.4588 1.4588 1.8764 1.8764 1.9081 1.9081 1.9360 1.9360 2.1532 2.1532 2.1533 2.1533 2.6324 2.6324 2.6342 2.6342 3.3001 3.3001 3.3140 3.3140 3.5107 3.5107 3.5871 3.5871 9.7906 9.7906 10.4040 10.4040 10.4537 10.4537 10.9317 10.9317 10.9448 10.9448 11.4451 11.4451 12.6505 12.6505 k = 0.3333 0.5774 0.2267 ( 6954 PWs) bands (ev): -21.7708 -21.7708 -14.6420 -14.6420 -14.6413 -14.6413 -13.7193 -13.7193 -13.7173 -13.7173 -13.2723 -13.2723 -13.2463 -13.2463 -12.7637 -12.7637 -12.7635 -12.7635 -8.3334 -8.3334 -6.3683 -6.3683 -6.2691 -6.2691 -2.4501 -2.4501 -2.4461 -2.4461 -1.5613 -1.5613 -1.5612 -1.5612 -0.8229 -0.8229 -0.8179 -0.8179 0.0752 0.0752 0.1067 0.1067 0.8315 0.8315 0.9219 0.9219 1.0660 1.0660 1.0701 1.0701 1.4665 1.4665 1.8734 1.8734 1.9070 1.9070 1.9119 1.9119 2.1335 2.1335 2.1343 2.1343 2.6287 2.6287 2.6305 2.6305 3.3127 3.3127 3.3263 3.3263 3.5220 3.5220 3.5877 3.5877 9.8136 9.8136 10.4005 10.4005 10.4507 10.4507 10.9230 10.9230 10.9360 10.9360 11.3791 11.3791 12.6552 12.6552 k = 0.3333 0.5774 0.2429 ( 6951 PWs) bands (ev): -21.7708 -21.7708 -14.6416 -14.6416 -14.6409 -14.6409 -13.7204 -13.7204 -13.7185 -13.7185 -13.2722 -13.2722 -13.2465 -13.2465 -12.7629 -12.7629 -12.7626 -12.7626 -8.3335 -8.3335 -6.3684 -6.3684 -6.2692 -6.2692 -2.4510 -2.4510 -2.4471 -2.4471 -1.5562 -1.5562 -1.5560 -1.5560 -0.8323 -0.8323 -0.8267 -0.8267 0.0732 0.0732 0.1098 0.1098 0.8257 0.8257 0.9330 0.9330 1.0845 1.0845 1.0896 1.0896 1.4727 1.4727 1.8693 1.8693 1.8913 1.8913 1.9052 1.9052 2.1145 2.1145 2.1159 2.1159 2.6250 2.6250 2.6269 2.6269 3.3250 3.3250 3.3385 3.3385 3.5315 3.5315 3.5881 3.5881 9.8369 9.8369 10.3973 10.3973 10.4480 10.4480 10.9152 10.9152 10.9280 10.9280 11.3171 11.3171 12.6581 12.6581 k = 0.3333 0.5774 0.2591 ( 6945 PWs) bands (ev): -21.7708 -21.7708 -14.6412 -14.6412 -14.6405 -14.6405 -13.7214 -13.7214 -13.7196 -13.7196 -13.2721 -13.2721 -13.2465 -13.2465 -12.7621 -12.7621 -12.7618 -12.7618 -8.3335 -8.3335 -6.3685 -6.3685 -6.2693 -6.2693 -2.4518 -2.4518 -2.4479 -2.4479 -1.5520 -1.5520 -1.5516 -1.5516 -0.8404 -0.8404 -0.8345 -0.8345 0.0702 0.0702 0.1136 0.1136 0.8199 0.8199 0.9449 0.9449 1.1025 1.1025 1.1082 1.1082 1.4767 1.4767 1.8628 1.8628 1.8762 1.8762 1.9025 1.9025 2.0967 2.0967 2.0986 2.0986 2.6215 2.6215 2.6235 2.6235 3.3368 3.3368 3.3503 3.3503 3.5393 3.5393 3.5884 3.5884 9.8598 9.8598 10.3944 10.3944 10.4455 10.4455 10.9083 10.9083 10.9210 10.9210 11.2599 11.2599 12.6593 12.6593 k = 0.3333 0.5774 0.2753 ( 6963 PWs) bands (ev): -21.7708 -21.7708 -14.6410 -14.6410 -14.6403 -14.6403 -13.7222 -13.7222 -13.7204 -13.7204 -13.2722 -13.2722 -13.2464 -13.2464 -12.7615 -12.7615 -12.7612 -12.7612 -8.3336 -8.3336 -6.3685 -6.3685 -6.2694 -6.2694 -2.4525 -2.4525 -2.4486 -2.4486 -1.5486 -1.5486 -1.5482 -1.5482 -0.8472 -0.8472 -0.8410 -0.8410 0.0666 0.0666 0.1175 0.1175 0.8141 0.8141 0.9574 0.9574 1.1195 1.1195 1.1256 1.1256 1.4781 1.4781 1.8537 1.8537 1.8677 1.8677 1.8988 1.8988 2.0807 2.0807 2.0829 2.0829 2.6182 2.6182 2.6204 2.6204 3.3480 3.3480 3.3613 3.3613 3.5453 3.5453 3.5883 3.5883 9.8817 9.8817 10.3918 10.3918 10.4434 10.4434 10.9025 10.9025 10.9150 10.9150 11.2083 11.2083 12.6591 12.6591 k = 0.3333 0.5774 0.2915 ( 6957 PWs) bands (ev): -21.7708 -21.7708 -14.6407 -14.6407 -14.6400 -14.6400 -13.7229 -13.7229 -13.7211 -13.7211 -13.2724 -13.2724 -13.2462 -13.2462 -12.7611 -12.7611 -12.7607 -12.7607 -8.3336 -8.3336 -6.3685 -6.3685 -6.2693 -6.2693 -2.4530 -2.4530 -2.4492 -2.4492 -1.5463 -1.5463 -1.5457 -1.5457 -0.8525 -0.8525 -0.8460 -0.8460 0.0625 0.0625 0.1214 0.1214 0.8086 0.8086 0.9703 0.9703 1.1351 1.1351 1.1410 1.1410 1.4762 1.4762 1.8466 1.8466 1.8620 1.8620 1.8939 1.8939 2.0673 2.0673 2.0692 2.0692 2.6151 2.6151 2.6175 2.6175 3.3583 3.3583 3.3715 3.3715 3.5496 3.5496 3.5877 3.5877 9.9018 9.9018 10.3897 10.3897 10.4417 10.4417 10.8980 10.8980 10.9102 10.9102 11.1631 11.1631 12.6579 12.6579 k = 0.3333 0.5774 0.3077 ( 6957 PWs) bands (ev): -21.7708 -21.7708 -14.6406 -14.6406 -14.6399 -14.6399 -13.7233 -13.7233 -13.7215 -13.7215 -13.2727 -13.2727 -13.2459 -13.2459 -12.7608 -12.7608 -12.7604 -12.7604 -8.3336 -8.3336 -6.3685 -6.3685 -6.2693 -6.2693 -2.4533 -2.4533 -2.4497 -2.4497 -1.5451 -1.5451 -1.5443 -1.5443 -0.8561 -0.8561 -0.8495 -0.8495 0.0582 0.0582 0.1251 0.1251 0.8033 0.8033 0.9833 0.9833 1.1488 1.1488 1.1542 1.1542 1.4707 1.4707 1.8440 1.8440 1.8571 1.8571 1.8879 1.8879 2.0568 2.0568 2.0578 2.0578 2.6123 2.6123 2.6149 2.6149 3.3676 3.3676 3.3806 3.3806 3.5522 3.5522 3.5866 3.5866 9.9194 9.9194 10.3881 10.3881 10.4405 10.4405 10.8947 10.8947 10.9066 10.9066 11.1254 11.1254 12.6558 12.6558 k = 0.3333 0.5774 0.3239 ( 6963 PWs) bands (ev): -21.7708 -21.7708 -14.6405 -14.6405 -14.6398 -14.6398 -13.7234 -13.7234 -13.7216 -13.7216 -13.2731 -13.2731 -13.2456 -13.2456 -12.7607 -12.7607 -12.7603 -12.7603 -8.3335 -8.3335 -6.3684 -6.3684 -6.2691 -6.2691 -2.4535 -2.4535 -2.4499 -2.4499 -1.5450 -1.5450 -1.5441 -1.5441 -0.8579 -0.8579 -0.8512 -0.8512 0.0536 0.0536 0.1286 0.1286 0.7982 0.7982 0.9964 0.9964 1.1602 1.1602 1.1644 1.1644 1.4618 1.4618 1.8468 1.8468 1.8527 1.8527 1.8812 1.8812 2.0491 2.0491 2.0495 2.0495 2.6098 2.6098 2.6125 2.6125 3.3758 3.3758 3.3886 3.3886 3.5530 3.5530 3.5850 3.5850 9.9336 9.9336 10.3869 10.3869 10.4397 10.4397 10.8928 10.8928 10.9043 10.9043 11.0961 11.0961 12.6530 12.6530 k = 0.3333 0.5774 0.3401 ( 6972 PWs) bands (ev): -21.7708 -21.7708 -14.6405 -14.6405 -14.6398 -14.6398 -13.7234 -13.7234 -13.7215 -13.7215 -13.2735 -13.2735 -13.2451 -13.2451 -12.7608 -12.7608 -12.7604 -12.7604 -8.3334 -8.3334 -6.3683 -6.3683 -6.2689 -6.2689 -2.4534 -2.4534 -2.4501 -2.4501 -1.5461 -1.5461 -1.5451 -1.5451 -0.8580 -0.8580 -0.8512 -0.8512 0.0490 0.0490 0.1317 0.1317 0.7935 0.7935 1.0095 1.0095 1.1689 1.1689 1.1714 1.1714 1.4498 1.4498 1.8490 1.8490 1.8547 1.8547 1.8742 1.8742 2.0430 2.0430 2.0453 2.0453 2.6075 2.6075 2.6104 2.6104 3.3826 3.3826 3.3953 3.3953 3.5517 3.5517 3.5833 3.5833 9.9436 9.9436 10.3864 10.3864 10.4393 10.4393 10.8924 10.8924 10.9033 10.9033 11.0760 11.0760 12.6496 12.6496 Writing output data file BaAl2xSiO4x2.save init_run : 0.51s CPU 0.69s WALL ( 1 calls) electrons : 505.13s CPU 510.98s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 505.12s CPU 510.96s 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 : 0.13s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.15s WALL ( 262 calls) cegterg : 479.50s CPU 484.21s WALL ( 695 calls) Called by sum_band: Called by *egterg: h_psi : 230.40s CPU 232.65s WALL ( 12349 calls) s_psi : 26.26s CPU 26.41s WALL ( 12349 calls) g_psi : 0.68s CPU 0.74s WALL ( 11392 calls) cdiaghg : 176.50s CPU 178.67s WALL ( 11654 calls) cegterg:over : 24.72s CPU 24.61s WALL ( 11392 calls) cegterg:upda : 22.12s CPU 22.53s WALL ( 11392 calls) cegterg:last : 10.78s CPU 10.76s WALL ( 1481 calls) cdiaghg:chol : 9.94s CPU 10.49s WALL ( 11654 calls) cdiaghg:inve : 7.90s CPU 7.76s WALL ( 11654 calls) cdiaghg:para : 13.46s CPU 13.60s WALL ( 23308 calls) Called by h_psi: h_psi:vloc : 176.72s CPU 179.05s WALL ( 12349 calls) h_psi:vnl : 52.71s CPU 52.78s WALL ( 12349 calls) add_vuspsi : 27.98s CPU 27.93s WALL ( 12349 calls) General routines calbec : 24.66s CPU 24.81s WALL ( 12349 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 163.23s CPU 165.39s WALL ( 1524328 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.72s WALL ( 524 calls) Parallel routines fft_scatter : 54.07s CPU 55.20s WALL ( 1524351 calls) PWSCF : 8m53.50s CPU 9m12.34s WALL This run was terminated on: 18:38: 2 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=