Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:11:23 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: ./ZrP2xHO3x2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 39 11 2615 1257 195 Max 66 40 12 2618 1278 198 Sum 2347 1429 421 94171 45599 7069 bravais-lattice index = 14 lattice parameter (alat) = 10.2385 a.u. unit-cell volume = 957.1092 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.238535 celldm(2)= 1.000000 celldm(3)= 1.029716 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 1.029716 ) 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 0.971142 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Zr 4.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) P 5.00 30.97380 P( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0035461 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0035461 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0035461 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0035461 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0035461 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0035461 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0035461 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0035461 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0035461 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0035461 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0035461 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0035461 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0035461 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0035461 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0035461 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0035461 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0035461 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0035461 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0035461 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0035461 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0035461 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0035461 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0035461 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0035461 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0035461 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0035461 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0035461 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0035461 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0035461 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0035461 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0035461 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0035461 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0035461 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035461 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035461 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0035461 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0035461 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0035461 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0035461 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0035461 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0035461 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0035461 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0035461 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0035461 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035461 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0035461 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0035461 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0035461 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0035461 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0035461 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0035461 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0035461 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0035461 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0035461 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035461 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035461 k( 58) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0035461 k( 59) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0035461 k( 60) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0035461 k( 61) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0035461 k( 62) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0035461 k( 63) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0035461 k( 64) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0035461 k( 65) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0035461 k( 66) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0035461 k( 67) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0035461 k( 68) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0035461 k( 69) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0035461 k( 70) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0035461 k( 71) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0035461 k( 72) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0035461 k( 73) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0035461 k( 74) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0035461 k( 75) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0035461 k( 76) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0035461 k( 77) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0035461 k( 78) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0035461 k( 79) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0035461 k( 80) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0035461 k( 81) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0035461 k( 82) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0035461 k( 83) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0035461 k( 84) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0035461 k( 85) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0035461 k( 86) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0035461 k( 87) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0035461 k( 88) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0035461 k( 89) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0035461 k( 90) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0035461 k( 91) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0035461 k( 92) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0035461 k( 93) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0035461 k( 94) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0035461 k( 95) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0035461 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 98) = ( 0.0000000 0.0000000 0.0167438), wk = 0.0035461 k( 99) = ( 0.0000000 0.0000000 0.0334876), wk = 0.0035461 k( 100) = ( 0.0000000 0.0000000 0.0502315), wk = 0.0035461 k( 101) = ( 0.0000000 0.0000000 0.0669753), wk = 0.0035461 k( 102) = ( 0.0000000 0.0000000 0.0837191), wk = 0.0035461 k( 103) = ( 0.0000000 0.0000000 0.1004629), wk = 0.0035461 k( 104) = ( 0.0000000 0.0000000 0.1172068), wk = 0.0035461 k( 105) = ( 0.0000000 0.0000000 0.1339506), wk = 0.0035461 k( 106) = ( 0.0000000 0.0000000 0.1506944), wk = 0.0035461 k( 107) = ( 0.0000000 0.0000000 0.1674382), wk = 0.0035461 k( 108) = ( 0.0000000 0.0000000 0.1841821), wk = 0.0035461 k( 109) = ( 0.0000000 0.0000000 0.2009259), wk = 0.0035461 k( 110) = ( 0.0000000 0.0000000 0.2176697), wk = 0.0035461 k( 111) = ( 0.0000000 0.0000000 0.2344135), wk = 0.0035461 k( 112) = ( 0.0000000 0.0000000 0.2511574), wk = 0.0035461 k( 113) = ( 0.0000000 0.0000000 0.2679012), wk = 0.0035461 k( 114) = ( 0.0000000 0.0000000 0.2846450), wk = 0.0035461 k( 115) = ( 0.0000000 0.0000000 0.3013888), wk = 0.0035461 k( 116) = ( 0.0000000 0.0000000 0.3181327), wk = 0.0035461 k( 117) = ( 0.0000000 0.0000000 0.3348765), wk = 0.0035461 k( 118) = ( 0.0000000 0.0000000 0.3516203), wk = 0.0035461 k( 119) = ( 0.0000000 0.0000000 0.3683641), wk = 0.0035461 k( 120) = ( 0.0000000 0.0000000 0.3851079), wk = 0.0035461 k( 121) = ( 0.0000000 0.0000000 0.4018518), wk = 0.0035461 k( 122) = ( 0.0000000 0.0000000 0.4185956), wk = 0.0035461 k( 123) = ( 0.0000000 0.0000000 0.4353394), wk = 0.0035461 k( 124) = ( 0.0000000 0.0000000 0.4520832), wk = 0.0035461 k( 125) = ( 0.0000000 0.0000000 0.4688271), wk = 0.0035461 k( 126) = ( 0.0000000 0.0000000 0.4855709), wk = 0.0035461 k( 127) = ( 0.0000000 0.0000000 0.4855709), wk = 0.0035461 k( 128) = ( 0.0147059 0.0084904 0.4855709), wk = 0.0035461 k( 129) = ( 0.0294118 0.0169809 0.4855709), wk = 0.0035461 k( 130) = ( 0.0441177 0.0254713 0.4855709), wk = 0.0035461 k( 131) = ( 0.0588235 0.0339618 0.4855709), wk = 0.0035461 k( 132) = ( 0.0735294 0.0424522 0.4855709), wk = 0.0035461 k( 133) = ( 0.0882353 0.0509427 0.4855709), wk = 0.0035461 k( 134) = ( 0.1029412 0.0594331 0.4855709), wk = 0.0035461 k( 135) = ( 0.1176471 0.0679236 0.4855709), wk = 0.0035461 k( 136) = ( 0.1323529 0.0764140 0.4855709), wk = 0.0035461 k( 137) = ( 0.1470588 0.0849044 0.4855709), wk = 0.0035461 k( 138) = ( 0.1617647 0.0933949 0.4855709), wk = 0.0035461 k( 139) = ( 0.1764706 0.1018853 0.4855709), wk = 0.0035461 k( 140) = ( 0.1911765 0.1103758 0.4855709), wk = 0.0035461 k( 141) = ( 0.2058823 0.1188662 0.4855709), wk = 0.0035461 k( 142) = ( 0.2205882 0.1273567 0.4855709), wk = 0.0035461 k( 143) = ( 0.2352941 0.1358471 0.4855709), wk = 0.0035461 k( 144) = ( 0.2500000 0.1443376 0.4855709), wk = 0.0035461 k( 145) = ( 0.2647059 0.1528280 0.4855709), wk = 0.0035461 k( 146) = ( 0.2794118 0.1613185 0.4855709), wk = 0.0035461 k( 147) = ( 0.2941177 0.1698089 0.4855709), wk = 0.0035461 k( 148) = ( 0.3088235 0.1782993 0.4855709), wk = 0.0035461 k( 149) = ( 0.3235294 0.1867898 0.4855709), wk = 0.0035461 k( 150) = ( 0.3382353 0.1952802 0.4855709), wk = 0.0035461 k( 151) = ( 0.3529412 0.2037707 0.4855709), wk = 0.0035461 k( 152) = ( 0.3676471 0.2122611 0.4855709), wk = 0.0035461 k( 153) = ( 0.3823529 0.2207516 0.4855709), wk = 0.0035461 k( 154) = ( 0.3970588 0.2292420 0.4855709), wk = 0.0035461 k( 155) = ( 0.4117647 0.2377325 0.4855709), wk = 0.0035461 k( 156) = ( 0.4264706 0.2462229 0.4855709), wk = 0.0035461 k( 157) = ( 0.4411765 0.2547134 0.4855709), wk = 0.0035461 k( 158) = ( 0.4558823 0.2632038 0.4855709), wk = 0.0035461 k( 159) = ( 0.4705882 0.2716942 0.4855709), wk = 0.0035461 k( 160) = ( 0.4852941 0.2801847 0.4855709), wk = 0.0035461 k( 161) = ( 0.5000000 0.2886751 0.4855709), wk = 0.0035461 k( 162) = ( 0.5000000 0.2886751 0.4855709), wk = 0.0035461 k( 163) = ( 0.4916667 0.3031089 0.4855709), wk = 0.0035461 k( 164) = ( 0.4833333 0.3175426 0.4855709), wk = 0.0035461 k( 165) = ( 0.4750000 0.3319764 0.4855709), wk = 0.0035461 k( 166) = ( 0.4666667 0.3464102 0.4855709), wk = 0.0035461 k( 167) = ( 0.4583333 0.3608439 0.4855709), wk = 0.0035461 k( 168) = ( 0.4500000 0.3752777 0.4855709), wk = 0.0035461 k( 169) = ( 0.4416667 0.3897114 0.4855709), wk = 0.0035461 k( 170) = ( 0.4333333 0.4041452 0.4855709), wk = 0.0035461 k( 171) = ( 0.4250000 0.4185789 0.4855709), wk = 0.0035461 k( 172) = ( 0.4166667 0.4330127 0.4855709), wk = 0.0035461 k( 173) = ( 0.4083333 0.4474465 0.4855709), wk = 0.0035461 k( 174) = ( 0.4000000 0.4618802 0.4855709), wk = 0.0035461 k( 175) = ( 0.3916667 0.4763140 0.4855709), wk = 0.0035461 k( 176) = ( 0.3833333 0.4907477 0.4855709), wk = 0.0035461 k( 177) = ( 0.3750000 0.5051815 0.4855709), wk = 0.0035461 k( 178) = ( 0.3666667 0.5196152 0.4855709), wk = 0.0035461 k( 179) = ( 0.3583333 0.5340490 0.4855709), wk = 0.0035461 k( 180) = ( 0.3500000 0.5484828 0.4855709), wk = 0.0035461 k( 181) = ( 0.3416667 0.5629165 0.4855709), wk = 0.0035461 k( 182) = ( 0.3333333 0.5773503 0.4855709), wk = 0.0035461 k( 183) = ( 0.3333333 0.5773503 0.4855709), wk = 0.0035461 k( 184) = ( 0.3247863 0.5625464 0.4855709), wk = 0.0035461 k( 185) = ( 0.3162393 0.5477426 0.4855709), wk = 0.0035461 k( 186) = ( 0.3076923 0.5329387 0.4855709), wk = 0.0035461 k( 187) = ( 0.2991453 0.5181349 0.4855709), wk = 0.0035461 k( 188) = ( 0.2905983 0.5033310 0.4855709), wk = 0.0035461 k( 189) = ( 0.2820513 0.4885271 0.4855709), wk = 0.0035461 k( 190) = ( 0.2735043 0.4737233 0.4855709), wk = 0.0035461 k( 191) = ( 0.2649573 0.4589194 0.4855709), wk = 0.0035461 k( 192) = ( 0.2564103 0.4441156 0.4855709), wk = 0.0035461 k( 193) = ( 0.2478633 0.4293117 0.4855709), wk = 0.0035461 k( 194) = ( 0.2393162 0.4145079 0.4855709), wk = 0.0035461 k( 195) = ( 0.2307692 0.3997040 0.4855709), wk = 0.0035461 k( 196) = ( 0.2222222 0.3849002 0.4855709), wk = 0.0035461 k( 197) = ( 0.2136752 0.3700963 0.4855709), wk = 0.0035461 k( 198) = ( 0.2051282 0.3552925 0.4855709), wk = 0.0035461 k( 199) = ( 0.1965812 0.3404886 0.4855709), wk = 0.0035461 k( 200) = ( 0.1880342 0.3256848 0.4855709), wk = 0.0035461 k( 201) = ( 0.1794872 0.3108809 0.4855709), wk = 0.0035461 k( 202) = ( 0.1709402 0.2960771 0.4855709), wk = 0.0035461 k( 203) = ( 0.1623932 0.2812732 0.4855709), wk = 0.0035461 k( 204) = ( 0.1538461 0.2664693 0.4855709), wk = 0.0035461 k( 205) = ( 0.1452991 0.2516655 0.4855709), wk = 0.0035461 k( 206) = ( 0.1367521 0.2368617 0.4855709), wk = 0.0035461 k( 207) = ( 0.1282051 0.2220578 0.4855709), wk = 0.0035461 k( 208) = ( 0.1196581 0.2072539 0.4855709), wk = 0.0035461 k( 209) = ( 0.1111111 0.1924501 0.4855709), wk = 0.0035461 k( 210) = ( 0.1025641 0.1776462 0.4855709), wk = 0.0035461 k( 211) = ( 0.0940171 0.1628424 0.4855709), wk = 0.0035461 k( 212) = ( 0.0854701 0.1480385 0.4855709), wk = 0.0035461 k( 213) = ( 0.0769231 0.1332347 0.4855709), wk = 0.0035461 k( 214) = ( 0.0683761 0.1184308 0.4855709), wk = 0.0035461 k( 215) = ( 0.0598291 0.1036270 0.4855709), wk = 0.0035461 k( 216) = ( 0.0512821 0.0888231 0.4855709), wk = 0.0035461 k( 217) = ( 0.0427350 0.0740193 0.4855709), wk = 0.0035461 k( 218) = ( 0.0341880 0.0592154 0.4855709), wk = 0.0035461 k( 219) = ( 0.0256410 0.0444116 0.4855709), wk = 0.0035461 k( 220) = ( 0.0170940 0.0296077 0.4855709), wk = 0.0035461 k( 221) = ( 0.0085470 0.0148039 0.4855709), wk = 0.0035461 k( 222) = ( 0.0000000 0.0000000 0.4855709), wk = 0.0035461 k( 223) = ( 0.5000000 0.2886751 0.4855709), wk = 0.0035461 k( 224) = ( 0.5000000 0.2886751 0.4688271), wk = 0.0035461 k( 225) = ( 0.5000000 0.2886751 0.4520832), wk = 0.0035461 k( 226) = ( 0.5000000 0.2886751 0.4353394), wk = 0.0035461 k( 227) = ( 0.5000000 0.2886751 0.4185956), wk = 0.0035461 k( 228) = ( 0.5000000 0.2886751 0.4018518), wk = 0.0035461 k( 229) = ( 0.5000000 0.2886751 0.3851079), wk = 0.0035461 k( 230) = ( 0.5000000 0.2886751 0.3683641), wk = 0.0035461 k( 231) = ( 0.5000000 0.2886751 0.3516203), wk = 0.0035461 k( 232) = ( 0.5000000 0.2886751 0.3348765), wk = 0.0035461 k( 233) = ( 0.5000000 0.2886751 0.3181327), wk = 0.0035461 k( 234) = ( 0.5000000 0.2886751 0.3013888), wk = 0.0035461 k( 235) = ( 0.5000000 0.2886751 0.2846450), wk = 0.0035461 k( 236) = ( 0.5000000 0.2886751 0.2679012), wk = 0.0035461 k( 237) = ( 0.5000000 0.2886751 0.2511574), wk = 0.0035461 k( 238) = ( 0.5000000 0.2886751 0.2344135), wk = 0.0035461 k( 239) = ( 0.5000000 0.2886751 0.2176697), wk = 0.0035461 k( 240) = ( 0.5000000 0.2886751 0.2009259), wk = 0.0035461 k( 241) = ( 0.5000000 0.2886751 0.1841821), wk = 0.0035461 k( 242) = ( 0.5000000 0.2886751 0.1674382), wk = 0.0035461 k( 243) = ( 0.5000000 0.2886751 0.1506944), wk = 0.0035461 k( 244) = ( 0.5000000 0.2886751 0.1339506), wk = 0.0035461 k( 245) = ( 0.5000000 0.2886751 0.1172068), wk = 0.0035461 k( 246) = ( 0.5000000 0.2886751 0.1004629), wk = 0.0035461 k( 247) = ( 0.5000000 0.2886751 0.0837191), wk = 0.0035461 k( 248) = ( 0.5000000 0.2886751 0.0669753), wk = 0.0035461 k( 249) = ( 0.5000000 0.2886751 0.0502315), wk = 0.0035461 k( 250) = ( 0.5000000 0.2886751 0.0334876), wk = 0.0035461 k( 251) = ( 0.5000000 0.2886751 0.0167438), wk = 0.0035461 k( 252) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035461 k( 253) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035461 k( 254) = ( 0.3333333 0.5773503 0.0167438), wk = 0.0035461 k( 255) = ( 0.3333333 0.5773503 0.0334876), wk = 0.0035461 k( 256) = ( 0.3333333 0.5773503 0.0502315), wk = 0.0035461 k( 257) = ( 0.3333333 0.5773503 0.0669753), wk = 0.0035461 k( 258) = ( 0.3333333 0.5773503 0.0837191), wk = 0.0035461 k( 259) = ( 0.3333333 0.5773503 0.1004629), wk = 0.0035461 k( 260) = ( 0.3333333 0.5773503 0.1172068), wk = 0.0035461 k( 261) = ( 0.3333333 0.5773503 0.1339506), wk = 0.0035461 k( 262) = ( 0.3333333 0.5773503 0.1506944), wk = 0.0035461 k( 263) = ( 0.3333333 0.5773503 0.1674382), wk = 0.0035461 k( 264) = ( 0.3333333 0.5773503 0.1841821), wk = 0.0035461 k( 265) = ( 0.3333333 0.5773503 0.2009259), wk = 0.0035461 k( 266) = ( 0.3333333 0.5773503 0.2176697), wk = 0.0035461 k( 267) = ( 0.3333333 0.5773503 0.2344135), wk = 0.0035461 k( 268) = ( 0.3333333 0.5773503 0.2511574), wk = 0.0035461 k( 269) = ( 0.3333333 0.5773503 0.2679012), wk = 0.0035461 k( 270) = ( 0.3333333 0.5773503 0.2846450), wk = 0.0035461 k( 271) = ( 0.3333333 0.5773503 0.3013888), wk = 0.0035461 k( 272) = ( 0.3333333 0.5773503 0.3181327), wk = 0.0035461 k( 273) = ( 0.3333333 0.5773503 0.3348765), wk = 0.0035461 k( 274) = ( 0.3333333 0.5773503 0.3516203), wk = 0.0035461 k( 275) = ( 0.3333333 0.5773503 0.3683641), wk = 0.0035461 k( 276) = ( 0.3333333 0.5773503 0.3851079), wk = 0.0035461 k( 277) = ( 0.3333333 0.5773503 0.4018518), wk = 0.0035461 k( 278) = ( 0.3333333 0.5773503 0.4185956), wk = 0.0035461 k( 279) = ( 0.3333333 0.5773503 0.4353394), wk = 0.0035461 k( 280) = ( 0.3333333 0.5773503 0.4520832), wk = 0.0035461 k( 281) = ( 0.3333333 0.5773503 0.4688271), wk = 0.0035461 k( 282) = ( 0.3333333 0.5773503 0.4855709), wk = 0.0035461 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0035461 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0035461 k( 4) = ( 0.0441177 -0.0000000 -0.0000000), wk = 0.0035461 k( 5) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0035461 k( 6) = ( 0.0735294 -0.0000000 -0.0000000), wk = 0.0035461 k( 7) = ( 0.0882353 -0.0000000 0.0000000), wk = 0.0035461 k( 8) = ( 0.1029412 -0.0000000 0.0000000), wk = 0.0035461 k( 9) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0035461 k( 10) = ( 0.1323529 -0.0000000 0.0000000), wk = 0.0035461 k( 11) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0035461 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0035461 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0035461 k( 14) = ( 0.1911765 -0.0000000 0.0000000), wk = 0.0035461 k( 15) = ( 0.2058823 -0.0000000 0.0000000), wk = 0.0035461 k( 16) = ( 0.2205882 -0.0000000 0.0000000), wk = 0.0035461 k( 17) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0035461 k( 18) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0035461 k( 19) = ( 0.2647059 -0.0000000 0.0000000), wk = 0.0035461 k( 20) = ( 0.2794118 -0.0000000 0.0000000), wk = 0.0035461 k( 21) = ( 0.2941177 -0.0000000 0.0000000), wk = 0.0035461 k( 22) = ( 0.3088235 -0.0000000 0.0000000), wk = 0.0035461 k( 23) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0035461 k( 24) = ( 0.3382353 -0.0000000 -0.0000000), wk = 0.0035461 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0035461 k( 26) = ( 0.3676471 -0.0000000 -0.0000000), wk = 0.0035461 k( 27) = ( 0.3823529 -0.0000000 0.0000000), wk = 0.0035461 k( 28) = ( 0.3970588 -0.0000000 0.0000000), wk = 0.0035461 k( 29) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0035461 k( 30) = ( 0.4264706 -0.0000000 0.0000000), wk = 0.0035461 k( 31) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0035461 k( 32) = ( 0.4558823 -0.0000000 -0.0000000), wk = 0.0035461 k( 33) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0035461 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0035461 k( 35) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0035461 k( 36) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0035461 k( 37) = ( 0.4916667 0.0166667 -0.0000000), wk = 0.0035461 k( 38) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0035461 k( 39) = ( 0.4750000 0.0500000 0.0000000), wk = 0.0035461 k( 40) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0035461 k( 41) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0035461 k( 42) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0035461 k( 43) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0035461 k( 44) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0035461 k( 45) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0035461 k( 46) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0035461 k( 47) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0035461 k( 48) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0035461 k( 49) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0035461 k( 50) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0035461 k( 51) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0035461 k( 52) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0035461 k( 53) = ( 0.3583333 0.2833333 -0.0000000), wk = 0.0035461 k( 54) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0035461 k( 55) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0035461 k( 56) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035461 k( 57) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035461 k( 58) = ( 0.3247863 0.3247863 -0.0000000), wk = 0.0035461 k( 59) = ( 0.3162393 0.3162393 0.0000000), wk = 0.0035461 k( 60) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0035461 k( 61) = ( 0.2991453 0.2991453 0.0000000), wk = 0.0035461 k( 62) = ( 0.2905983 0.2905983 0.0000000), wk = 0.0035461 k( 63) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0035461 k( 64) = ( 0.2735043 0.2735043 -0.0000000), wk = 0.0035461 k( 65) = ( 0.2649573 0.2649573 0.0000000), wk = 0.0035461 k( 66) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0035461 k( 67) = ( 0.2478633 0.2478633 0.0000000), wk = 0.0035461 k( 68) = ( 0.2393162 0.2393162 0.0000000), wk = 0.0035461 k( 69) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0035461 k( 70) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0035461 k( 71) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0035461 k( 72) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0035461 k( 73) = ( 0.1965812 0.1965812 -0.0000000), wk = 0.0035461 k( 74) = ( 0.1880342 0.1880342 -0.0000000), wk = 0.0035461 k( 75) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0035461 k( 76) = ( 0.1709402 0.1709402 0.0000000), wk = 0.0035461 k( 77) = ( 0.1623932 0.1623932 -0.0000000), wk = 0.0035461 k( 78) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0035461 k( 79) = ( 0.1452991 0.1452991 -0.0000000), wk = 0.0035461 k( 80) = ( 0.1367521 0.1367521 0.0000000), wk = 0.0035461 k( 81) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0035461 k( 82) = ( 0.1196581 0.1196581 0.0000000), wk = 0.0035461 k( 83) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0035461 k( 84) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0035461 k( 85) = ( 0.0940171 0.0940171 0.0000000), wk = 0.0035461 k( 86) = ( 0.0854701 0.0854701 0.0000000), wk = 0.0035461 k( 87) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0035461 k( 88) = ( 0.0683761 0.0683761 0.0000000), wk = 0.0035461 k( 89) = ( 0.0598291 0.0598291 0.0000000), wk = 0.0035461 k( 90) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0035461 k( 91) = ( 0.0427350 0.0427350 0.0000000), wk = 0.0035461 k( 92) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0035461 k( 93) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0035461 k( 94) = ( 0.0170940 0.0170940 0.0000000), wk = 0.0035461 k( 95) = ( 0.0085470 0.0085470 0.0000000), wk = 0.0035461 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 98) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0035461 k( 99) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0035461 k( 100) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0035461 k( 101) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0035461 k( 102) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0035461 k( 103) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0035461 k( 104) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0035461 k( 105) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0035461 k( 106) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0035461 k( 107) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0035461 k( 108) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0035461 k( 109) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0035461 k( 110) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0035461 k( 111) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0035461 k( 112) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0035461 k( 113) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0035461 k( 114) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0035461 k( 115) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0035461 k( 116) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0035461 k( 117) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0035461 k( 118) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0035461 k( 119) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0035461 k( 120) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0035461 k( 121) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0035461 k( 122) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0035461 k( 123) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0035461 k( 124) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0035461 k( 125) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0035461 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 128) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0035461 k( 129) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0035461 k( 130) = ( 0.0441177 -0.0000000 0.5000000), wk = 0.0035461 k( 131) = ( 0.0588235 -0.0000000 0.5000000), wk = 0.0035461 k( 132) = ( 0.0735294 -0.0000000 0.5000000), wk = 0.0035461 k( 133) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0035461 k( 134) = ( 0.1029412 -0.0000000 0.5000000), wk = 0.0035461 k( 135) = ( 0.1176471 -0.0000000 0.5000000), wk = 0.0035461 k( 136) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0035461 k( 137) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0035461 k( 138) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0035461 k( 139) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0035461 k( 140) = ( 0.1911765 -0.0000000 0.5000000), wk = 0.0035461 k( 141) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0035461 k( 142) = ( 0.2205882 -0.0000000 0.5000000), wk = 0.0035461 k( 143) = ( 0.2352941 -0.0000000 0.5000000), wk = 0.0035461 k( 144) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0035461 k( 145) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0035461 k( 146) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0035461 k( 147) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0035461 k( 148) = ( 0.3088235 -0.0000000 0.5000000), wk = 0.0035461 k( 149) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0035461 k( 150) = ( 0.3382353 -0.0000000 0.5000000), wk = 0.0035461 k( 151) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0035461 k( 152) = ( 0.3676471 -0.0000000 0.5000000), wk = 0.0035461 k( 153) = ( 0.3823529 -0.0000000 0.5000000), wk = 0.0035461 k( 154) = ( 0.3970588 -0.0000000 0.5000000), wk = 0.0035461 k( 155) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0035461 k( 156) = ( 0.4264706 -0.0000000 0.5000000), wk = 0.0035461 k( 157) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0035461 k( 158) = ( 0.4558823 -0.0000000 0.5000000), wk = 0.0035461 k( 159) = ( 0.4705882 -0.0000000 0.5000000), wk = 0.0035461 k( 160) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0035461 k( 161) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035461 k( 162) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035461 k( 163) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0035461 k( 164) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0035461 k( 165) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0035461 k( 166) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0035461 k( 167) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0035461 k( 168) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0035461 k( 169) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0035461 k( 170) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0035461 k( 171) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0035461 k( 172) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035461 k( 173) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0035461 k( 174) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0035461 k( 175) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0035461 k( 176) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0035461 k( 177) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0035461 k( 178) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0035461 k( 179) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0035461 k( 180) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0035461 k( 181) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0035461 k( 182) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035461 k( 183) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035461 k( 184) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0035461 k( 185) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0035461 k( 186) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0035461 k( 187) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0035461 k( 188) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0035461 k( 189) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0035461 k( 190) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0035461 k( 191) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0035461 k( 192) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0035461 k( 193) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0035461 k( 194) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0035461 k( 195) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0035461 k( 196) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0035461 k( 197) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0035461 k( 198) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0035461 k( 199) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0035461 k( 200) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0035461 k( 201) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0035461 k( 202) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0035461 k( 203) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0035461 k( 204) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0035461 k( 205) = ( 0.1452991 0.1452991 0.5000000), wk = 0.0035461 k( 206) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0035461 k( 207) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0035461 k( 208) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0035461 k( 209) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0035461 k( 210) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0035461 k( 211) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0035461 k( 212) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0035461 k( 213) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0035461 k( 214) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0035461 k( 215) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0035461 k( 216) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0035461 k( 217) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0035461 k( 218) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0035461 k( 219) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0035461 k( 220) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0035461 k( 221) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0035461 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035461 k( 223) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035461 k( 224) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0035461 k( 225) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0035461 k( 226) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0035461 k( 227) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0035461 k( 228) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0035461 k( 229) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0035461 k( 230) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0035461 k( 231) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0035461 k( 232) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0035461 k( 233) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0035461 k( 234) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0035461 k( 235) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0035461 k( 236) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0035461 k( 237) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0035461 k( 238) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0035461 k( 239) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0035461 k( 240) = ( 0.5000000 -0.0000000 0.2068966), wk = 0.0035461 k( 241) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0035461 k( 242) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0035461 k( 243) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0035461 k( 244) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0035461 k( 245) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0035461 k( 246) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0035461 k( 247) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0035461 k( 248) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0035461 k( 249) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0035461 k( 250) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0035461 k( 251) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0035461 k( 252) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0035461 k( 253) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035461 k( 254) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0035461 k( 255) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0035461 k( 256) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0035461 k( 257) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0035461 k( 258) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0035461 k( 259) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0035461 k( 260) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0035461 k( 261) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0035461 k( 262) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0035461 k( 263) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0035461 k( 264) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0035461 k( 265) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0035461 k( 266) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0035461 k( 267) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0035461 k( 268) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0035461 k( 269) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0035461 k( 270) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0035461 k( 271) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0035461 k( 272) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0035461 k( 273) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0035461 k( 274) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0035461 k( 275) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0035461 k( 276) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0035461 k( 277) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0035461 k( 278) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0035461 k( 279) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0035461 k( 280) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0035461 k( 281) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0035461 k( 282) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035461 Dense grid: 94171 G-vectors FFT dimensions: ( 60, 60, 64) Smooth grid: 45599 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 330, 62) NL pseudopotentials 0.43 Mb ( 165, 172) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2617) G-vector shells 0.01 Mb ( 1240) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 330, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.33 Mb ( 172, 2, 62) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ZrP2xHO3x2.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 10.3 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.2 secs Computing kpt #: 10 total cpu time spent up to now is 13.2 secs Computing kpt #: 11 total cpu time spent up to now is 14.2 secs Computing kpt #: 12 total cpu time spent up to now is 15.1 secs Computing kpt #: 13 total cpu time spent up to now is 16.1 secs Computing kpt #: 14 total cpu time spent up to now is 17.0 secs Computing kpt #: 15 total cpu time spent up to now is 18.1 secs Computing kpt #: 16 total cpu time spent up to now is 20.1 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.2 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.3 secs Computing kpt #: 19 total cpu time spent up to now is 25.7 secs Computing kpt #: 20 total cpu time spent up to now is 27.5 secs Computing kpt #: 21 total cpu time spent up to now is 29.0 secs Computing kpt #: 22 total cpu time spent up to now is 30.7 secs Computing kpt #: 23 total cpu time spent up to now is 32.1 secs Computing kpt #: 24 total cpu time spent up to now is 33.8 secs Computing kpt #: 25 total cpu time spent up to now is 35.4 secs Computing kpt #: 26 total cpu time spent up to now is 36.9 secs Computing kpt #: 27 total cpu time spent up to now is 38.8 secs Computing kpt #: 28 total cpu time spent up to now is 40.3 secs Computing kpt #: 29 total cpu time spent up to now is 42.0 secs Computing kpt #: 30 total cpu time spent up to now is 43.5 secs Computing kpt #: 31 total cpu time spent up to now is 45.1 secs Computing kpt #: 32 total cpu time spent up to now is 46.7 secs Computing kpt #: 33 total cpu time spent up to now is 48.0 secs Computing kpt #: 34 total cpu time spent up to now is 49.5 secs Computing kpt #: 35 total cpu time spent up to now is 54.4 secs Computing kpt #: 36 total cpu time spent up to now is 56.0 secs Computing kpt #: 37 total cpu time spent up to now is 57.7 secs Computing kpt #: 38 total cpu time spent up to now is 59.3 secs Computing kpt #: 39 total cpu time spent up to now is 60.8 secs Computing kpt #: 40 total cpu time spent up to now is 62.3 secs Computing kpt #: 41 total cpu time spent up to now is 63.6 secs Computing kpt #: 42 total cpu time spent up to now is 65.0 secs Computing kpt #: 43 total cpu time spent up to now is 66.5 secs Computing kpt #: 44 total cpu time spent up to now is 67.7 secs Computing kpt #: 45 total cpu time spent up to now is 69.0 secs Computing kpt #: 46 total cpu time spent up to now is 70.2 secs Computing kpt #: 47 total cpu time spent up to now is 71.4 secs Computing kpt #: 48 total cpu time spent up to now is 72.7 secs Computing kpt #: 49 total cpu time spent up to now is 73.9 secs Computing kpt #: 50 total cpu time spent up to now is 75.1 secs Computing kpt #: 51 total cpu time spent up to now is 76.3 secs Computing kpt #: 52 total cpu time spent up to now is 77.4 secs Computing kpt #: 53 total cpu time spent up to now is 78.6 secs Computing kpt #: 54 total cpu time spent up to now is 79.8 secs Computing kpt #: 55 total cpu time spent up to now is 81.0 secs Computing kpt #: 56 total cpu time spent up to now is 82.1 secs Computing kpt #: 57 total cpu time spent up to now is 83.3 secs Computing kpt #: 58 total cpu time spent up to now is 84.8 secs Computing kpt #: 59 total cpu time spent up to now is 86.0 secs Computing kpt #: 60 total cpu time spent up to now is 87.2 secs Computing kpt #: 61 total cpu time spent up to now is 88.3 secs Computing kpt #: 62 total cpu time spent up to now is 89.5 secs Computing kpt #: 63 total cpu time spent up to now is 90.7 secs Computing kpt #: 64 total cpu time spent up to now is 91.8 secs Computing kpt #: 65 total cpu time spent up to now is 93.0 secs Computing kpt #: 66 total cpu time spent up to now is 94.2 secs Computing kpt #: 67 total cpu time spent up to now is 95.3 secs Computing kpt #: 68 total cpu time spent up to now is 96.4 secs Computing kpt #: 69 total cpu time spent up to now is 97.6 secs Computing kpt #: 70 total cpu time spent up to now is 98.7 secs Computing kpt #: 71 total cpu time spent up to now is 99.9 secs Computing kpt #: 72 total cpu time spent up to now is 101.1 secs Computing kpt #: 73 total cpu time spent up to now is 102.4 secs Computing kpt #: 74 total cpu time spent up to now is 103.6 secs Computing kpt #: 75 total cpu time spent up to now is 104.9 secs Computing kpt #: 76 total cpu time spent up to now is 106.1 secs Computing kpt #: 77 total cpu time spent up to now is 107.4 secs Computing kpt #: 78 total cpu time spent up to now is 109.2 secs Computing kpt #: 79 total cpu time spent up to now is 110.4 secs Computing kpt #: 80 total cpu time spent up to now is 111.7 secs Computing kpt #: 81 total cpu time spent up to now is 113.1 secs Computing kpt #: 82 total cpu time spent up to now is 114.1 secs Computing kpt #: 83 total cpu time spent up to now is 115.0 secs Computing kpt #: 84 total cpu time spent up to now is 115.9 secs Computing kpt #: 85 total cpu time spent up to now is 116.8 secs Computing kpt #: 86 total cpu time spent up to now is 117.7 secs Computing kpt #: 87 total cpu time spent up to now is 118.7 secs Computing kpt #: 88 total cpu time spent up to now is 119.6 secs Computing kpt #: 89 total cpu time spent up to now is 120.6 secs Computing kpt #: 90 total cpu time spent up to now is 121.6 secs Computing kpt #: 91 total cpu time spent up to now is 122.6 secs Computing kpt #: 92 total cpu time spent up to now is 123.6 secs Computing kpt #: 93 total cpu time spent up to now is 124.6 secs Computing kpt #: 94 total cpu time spent up to now is 125.6 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.0 secs Computing kpt #: 97 total cpu time spent up to now is 131.0 secs Computing kpt #: 98 total cpu time spent up to now is 132.1 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.3 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.6 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.8 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 143.0 secs Computing kpt #: 104 total cpu time spent up to now is 144.3 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.4 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.6 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.8 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 155.0 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.2 secs Computing kpt #: 112 total cpu time spent up to now is 160.7 secs Computing kpt #: 113 total cpu time spent up to now is 161.9 secs Computing kpt #: 114 total cpu time spent up to now is 163.2 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.2 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.3 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.4 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 171.5 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 173.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 175.7 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 177.8 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.9 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 182.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 184.1 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.2 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.2 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 190.3 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.4 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.5 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.7 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.8 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 201.0 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.1 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.4 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.9 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.0 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.0 secs Computing kpt #: 139 total cpu time spent up to now is 215.8 secs Computing kpt #: 140 total cpu time spent up to now is 217.1 secs Computing kpt #: 141 total cpu time spent up to now is 218.3 secs Computing kpt #: 142 total cpu time spent up to now is 219.5 secs Computing kpt #: 143 total cpu time spent up to now is 220.7 secs Computing kpt #: 144 total cpu time spent up to now is 221.9 secs Computing kpt #: 145 total cpu time spent up to now is 223.1 secs Computing kpt #: 146 total cpu time spent up to now is 224.3 secs Computing kpt #: 147 total cpu time spent up to now is 225.5 secs Computing kpt #: 148 total cpu time spent up to now is 226.7 secs Computing kpt #: 149 total cpu time spent up to now is 227.8 secs Computing kpt #: 150 total cpu time spent up to now is 229.0 secs Computing kpt #: 151 total cpu time spent up to now is 230.2 secs Computing kpt #: 152 total cpu time spent up to now is 231.4 secs Computing kpt #: 153 total cpu time spent up to now is 232.6 secs Computing kpt #: 154 total cpu time spent up to now is 233.8 secs Computing kpt #: 155 total cpu time spent up to now is 234.7 secs Computing kpt #: 156 total cpu time spent up to now is 235.6 secs Computing kpt #: 157 total cpu time spent up to now is 236.5 secs Computing kpt #: 158 total cpu time spent up to now is 237.4 secs Computing kpt #: 159 total cpu time spent up to now is 238.2 secs Computing kpt #: 160 total cpu time spent up to now is 239.1 secs Computing kpt #: 161 total cpu time spent up to now is 240.1 secs Computing kpt #: 162 total cpu time spent up to now is 241.1 secs Computing kpt #: 163 total cpu time spent up to now is 242.1 secs Computing kpt #: 164 total cpu time spent up to now is 243.2 secs Computing kpt #: 165 total cpu time spent up to now is 244.2 secs Computing kpt #: 166 total cpu time spent up to now is 245.2 secs Computing kpt #: 167 total cpu time spent up to now is 246.2 secs Computing kpt #: 168 total cpu time spent up to now is 247.2 secs Computing kpt #: 169 total cpu time spent up to now is 248.3 secs Computing kpt #: 170 total cpu time spent up to now is 249.3 secs Computing kpt #: 171 total cpu time spent up to now is 250.3 secs Computing kpt #: 172 total cpu time spent up to now is 251.3 secs Computing kpt #: 173 total cpu time spent up to now is 252.3 secs Computing kpt #: 174 total cpu time spent up to now is 253.3 secs Computing kpt #: 175 total cpu time spent up to now is 254.3 secs Computing kpt #: 176 total cpu time spent up to now is 255.2 secs Computing kpt #: 177 total cpu time spent up to now is 256.2 secs Computing kpt #: 178 total cpu time spent up to now is 257.1 secs Computing kpt #: 179 total cpu time spent up to now is 258.1 secs Computing kpt #: 180 total cpu time spent up to now is 259.0 secs Computing kpt #: 181 total cpu time spent up to now is 259.9 secs Computing kpt #: 182 total cpu time spent up to now is 260.7 secs Computing kpt #: 183 total cpu time spent up to now is 261.6 secs Computing kpt #: 184 total cpu time spent up to now is 262.5 secs Computing kpt #: 185 total cpu time spent up to now is 263.4 secs Computing kpt #: 186 total cpu time spent up to now is 264.4 secs Computing kpt #: 187 total cpu time spent up to now is 265.4 secs Computing kpt #: 188 total cpu time spent up to now is 266.3 secs Computing kpt #: 189 total cpu time spent up to now is 267.3 secs Computing kpt #: 190 total cpu time spent up to now is 268.3 secs Computing kpt #: 191 total cpu time spent up to now is 269.2 secs Computing kpt #: 192 total cpu time spent up to now is 270.1 secs Computing kpt #: 193 total cpu time spent up to now is 271.1 secs Computing kpt #: 194 total cpu time spent up to now is 272.0 secs Computing kpt #: 195 total cpu time spent up to now is 273.0 secs Computing kpt #: 196 total cpu time spent up to now is 273.9 secs Computing kpt #: 197 total cpu time spent up to now is 274.9 secs Computing kpt #: 198 total cpu time spent up to now is 275.8 secs Computing kpt #: 199 total cpu time spent up to now is 276.7 secs Computing kpt #: 200 total cpu time spent up to now is 277.7 secs Computing kpt #: 201 total cpu time spent up to now is 278.6 secs Computing kpt #: 202 total cpu time spent up to now is 279.6 secs Computing kpt #: 203 total cpu time spent up to now is 280.5 secs Computing kpt #: 204 total cpu time spent up to now is 281.5 secs Computing kpt #: 205 total cpu time spent up to now is 282.4 secs Computing kpt #: 206 total cpu time spent up to now is 283.4 secs Computing kpt #: 207 total cpu time spent up to now is 284.3 secs Computing kpt #: 208 total cpu time spent up to now is 285.3 secs Computing kpt #: 209 total cpu time spent up to now is 286.2 secs Computing kpt #: 210 total cpu time spent up to now is 287.2 secs Computing kpt #: 211 total cpu time spent up to now is 288.2 secs Computing kpt #: 212 total cpu time spent up to now is 289.2 secs Computing kpt #: 213 total cpu time spent up to now is 290.2 secs Computing kpt #: 214 total cpu time spent up to now is 291.2 secs Computing kpt #: 215 total cpu time spent up to now is 292.2 secs Computing kpt #: 216 total cpu time spent up to now is 293.8 secs Computing kpt #: 217 total cpu time spent up to now is 295.7 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.8 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.9 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.0 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.1 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.2 secs Computing kpt #: 223 total cpu time spent up to now is 307.1 secs Computing kpt #: 224 total cpu time spent up to now is 308.0 secs Computing kpt #: 225 total cpu time spent up to now is 308.8 secs Computing kpt #: 226 total cpu time spent up to now is 309.7 secs Computing kpt #: 227 total cpu time spent up to now is 310.6 secs Computing kpt #: 228 total cpu time spent up to now is 311.5 secs Computing kpt #: 229 total cpu time spent up to now is 312.3 secs Computing kpt #: 230 total cpu time spent up to now is 313.2 secs Computing kpt #: 231 total cpu time spent up to now is 314.1 secs Computing kpt #: 232 total cpu time spent up to now is 315.0 secs Computing kpt #: 233 total cpu time spent up to now is 315.9 secs Computing kpt #: 234 total cpu time spent up to now is 316.8 secs Computing kpt #: 235 total cpu time spent up to now is 317.6 secs Computing kpt #: 236 total cpu time spent up to now is 318.5 secs Computing kpt #: 237 total cpu time spent up to now is 319.4 secs Computing kpt #: 238 total cpu time spent up to now is 320.3 secs Computing kpt #: 239 total cpu time spent up to now is 321.2 secs Computing kpt #: 240 total cpu time spent up to now is 322.1 secs Computing kpt #: 241 total cpu time spent up to now is 323.1 secs Computing kpt #: 242 total cpu time spent up to now is 324.0 secs Computing kpt #: 243 total cpu time spent up to now is 325.0 secs Computing kpt #: 244 total cpu time spent up to now is 326.0 secs Computing kpt #: 245 total cpu time spent up to now is 327.0 secs Computing kpt #: 246 total cpu time spent up to now is 328.1 secs Computing kpt #: 247 total cpu time spent up to now is 329.3 secs Computing kpt #: 248 total cpu time spent up to now is 330.6 secs Computing kpt #: 249 total cpu time spent up to now is 331.8 secs Computing kpt #: 250 total cpu time spent up to now is 333.5 secs Computing kpt #: 251 total cpu time spent up to now is 335.4 secs Computing kpt #: 252 total cpu time spent up to now is 337.4 secs Computing kpt #: 253 total cpu time spent up to now is 338.7 secs Computing kpt #: 254 total cpu time spent up to now is 339.8 secs Computing kpt #: 255 total cpu time spent up to now is 340.9 secs Computing kpt #: 256 total cpu time spent up to now is 342.0 secs Computing kpt #: 257 total cpu time spent up to now is 343.2 secs Computing kpt #: 258 total cpu time spent up to now is 344.4 secs Computing kpt #: 259 total cpu time spent up to now is 345.5 secs Computing kpt #: 260 total cpu time spent up to now is 346.6 secs Computing kpt #: 261 total cpu time spent up to now is 347.7 secs Computing kpt #: 262 total cpu time spent up to now is 348.8 secs Computing kpt #: 263 total cpu time spent up to now is 350.0 secs Computing kpt #: 264 total cpu time spent up to now is 351.0 secs Computing kpt #: 265 total cpu time spent up to now is 352.0 secs Computing kpt #: 266 total cpu time spent up to now is 353.0 secs Computing kpt #: 267 total cpu time spent up to now is 354.0 secs Computing kpt #: 268 total cpu time spent up to now is 354.9 secs Computing kpt #: 269 total cpu time spent up to now is 355.9 secs Computing kpt #: 270 total cpu time spent up to now is 356.8 secs Computing kpt #: 271 total cpu time spent up to now is 357.7 secs Computing kpt #: 272 total cpu time spent up to now is 358.5 secs Computing kpt #: 273 total cpu time spent up to now is 359.4 secs Computing kpt #: 274 total cpu time spent up to now is 360.3 secs Computing kpt #: 275 total cpu time spent up to now is 361.1 secs Computing kpt #: 276 total cpu time spent up to now is 362.0 secs Computing kpt #: 277 total cpu time spent up to now is 362.9 secs Computing kpt #: 278 total cpu time spent up to now is 363.7 secs Computing kpt #: 279 total cpu time spent up to now is 364.6 secs Computing kpt #: 280 total cpu time spent up to now is 365.4 secs Computing kpt #: 281 total cpu time spent up to now is 366.3 secs Computing kpt #: 282 total cpu time spent up to now is 367.1 secs ethr = 1.92E-08, avg # of iterations = 55.0 total cpu time spent up to now is 367.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5747 PWs) bands (ev): -17.8287 -17.8287 -17.5246 -17.5246 -15.6119 -15.6119 -15.6059 -15.6059 -15.4442 -15.4442 -15.4231 -15.4231 -6.4218 -6.4218 -5.4199 -5.4199 -3.7509 -3.7509 -3.7428 -3.7428 -3.6316 -3.6316 -2.4870 -2.4870 -2.4255 -2.4255 -2.3921 -2.3921 -1.1613 -1.1613 -1.1558 -1.1558 0.0447 0.0447 0.1362 0.1362 0.1496 0.1496 1.0080 1.0080 1.0224 1.0224 1.1175 1.1175 1.2083 1.2083 1.2178 1.2178 1.8666 1.8666 2.2241 2.2241 6.3484 6.3484 6.6125 6.6125 6.6537 6.6537 9.3273 9.3273 9.5014 9.5014 k = 0.0147 0.0085-0.0000 ( 5743 PWs) bands (ev): -17.8284 -17.8284 -17.5248 -17.5248 -15.6116 -15.6116 -15.6056 -15.6056 -15.4446 -15.4446 -15.4235 -15.4235 -6.4205 -6.4205 -5.4226 -5.4226 -3.7493 -3.7493 -3.7405 -3.7405 -3.6308 -3.6308 -2.4876 -2.4876 -2.4260 -2.4260 -2.3929 -2.3929 -1.1605 -1.1605 -1.1548 -1.1548 0.0270 0.0270 0.1407 0.1407 0.1625 0.1625 1.0063 1.0063 1.0208 1.0208 1.1152 1.1152 1.2090 1.2090 1.2186 1.2186 1.8651 1.8651 2.2231 2.2231 6.3502 6.3502 6.6135 6.6135 6.6548 6.6548 9.3281 9.3281 9.5005 9.5006 k = 0.0294 0.0170-0.0000 ( 5748 PWs) bands (ev): -17.8273 -17.8273 -17.5255 -17.5255 -15.6111 -15.6111 -15.6049 -15.6049 -15.4456 -15.4456 -15.4245 -15.4245 -6.4164 -6.4164 -5.4309 -5.4309 -3.7468 -3.7468 -3.7314 -3.7314 -3.6283 -3.6283 -2.4891 -2.4891 -2.4277 -2.4277 -2.3949 -2.3949 -1.1583 -1.1583 -1.1516 -1.1516 -0.0092 -0.0092 0.1416 0.1416 0.1970 0.1970 1.0002 1.0002 1.0170 1.0170 1.1091 1.1091 1.2093 1.2093 1.2223 1.2223 1.8608 1.8608 2.2200 2.2200 6.3556 6.3556 6.6162 6.6162 6.6583 6.6583 9.3307 9.3307 9.4975 9.4975 k = 0.0441 0.0255-0.0000 ( 5750 PWs) bands (ev): -17.8256 -17.8256 -17.5268 -17.5268 -15.6103 -15.6103 -15.6035 -15.6035 -15.4476 -15.4476 -15.4260 -15.4260 -6.4097 -6.4097 -5.4444 -5.4444 -3.7448 -3.7448 -3.7146 -3.7146 -3.6241 -3.6241 -2.4919 -2.4919 -2.4309 -2.4309 -2.3977 -2.3977 -1.1554 -1.1554 -1.1454 -1.1454 -0.0504 -0.0504 0.1411 0.1411 0.2373 0.2373 0.9881 0.9881 1.0127 1.0127 1.1003 1.1003 1.2079 1.2079 1.2289 1.2289 1.8538 1.8538 2.2150 2.2150 6.3645 6.3645 6.6199 6.6199 6.6649 6.6649 9.3348 9.3348 9.4917 9.4917 k = 0.0588 0.0340-0.0000 ( 5756 PWs) bands (ev): -17.8232 -17.8232 -17.5284 -17.5284 -15.6095 -15.6095 -15.6012 -15.6012 -15.4505 -15.4505 -15.4278 -15.4278 -6.4004 -6.4004 -5.4625 -5.4625 -3.7426 -3.7426 -3.6912 -3.6912 -3.6181 -3.6181 -2.4962 -2.4962 -2.4357 -2.4357 -2.4007 -2.4007 -1.1519 -1.1519 -1.1364 -1.1364 -0.0931 -0.0931 0.1401 0.1401 0.2792 0.2792 0.9699 0.9699 1.0080 1.0080 1.0900 1.0900 1.2050 1.2050 1.2370 1.2370 1.8443 1.8443 2.2080 2.2080 6.3766 6.3766 6.6237 6.6237 6.6753 6.6753 9.3406 9.3406 9.4831 9.4832 k = 0.0735 0.0425-0.0000 ( 5752 PWs) bands (ev): -17.8202 -17.8202 -17.5306 -17.5306 -15.6088 -15.6088 -15.5981 -15.5981 -15.4548 -15.4548 -15.4297 -15.4297 -6.3886 -6.3886 -5.4849 -5.4849 -3.7400 -3.7400 -3.6623 -3.6623 -3.6101 -3.6101 -2.5024 -2.5024 -2.4423 -2.4423 -2.4032 -2.4032 -1.1478 -1.1478 -1.1247 -1.1247 -0.1362 -0.1362 0.1387 0.1387 0.3214 0.3214 0.9462 0.9462 1.0027 1.0027 1.0790 1.0790 1.2007 1.2007 1.2454 1.2454 1.8325 1.8325 2.1991 2.1991 6.3916 6.3916 6.6273 6.6273 6.6898 6.6898 9.3480 9.3480 9.4724 9.4724 k = 0.0882 0.0509-0.0000 ( 5748 PWs) bands (ev): -17.8165 -17.8165 -17.5331 -17.5331 -15.6082 -15.6082 -15.5941 -15.5941 -15.4603 -15.4603 -15.4314 -15.4314 -6.3743 -6.3743 -5.5109 -5.5109 -3.7370 -3.7370 -3.6299 -3.6299 -3.5989 -3.5989 -2.5110 -2.5110 -2.4501 -2.4501 -2.4050 -2.4050 -1.1430 -1.1430 -1.1103 -1.1103 -0.1790 -0.1790 0.1371 0.1371 0.3632 0.3632 0.9175 0.9175 0.9964 0.9964 1.0678 1.0678 1.1950 1.1950 1.2534 1.2534 1.8188 1.8188 2.1883 2.1883 6.4092 6.4092 6.6306 6.6306 6.7084 6.7084 9.3568 9.3568 9.4607 9.4607 k = 0.1029 0.0594-0.0000 ( 5744 PWs) bands (ev): -17.8122 -17.8122 -17.5361 -17.5361 -15.6075 -15.6075 -15.5894 -15.5894 -15.4672 -15.4672 -15.4330 -15.4330 -6.3578 -6.3578 -5.5397 -5.5397 -3.7336 -3.7336 -3.6019 -3.6019 -3.5776 -3.5776 -2.5227 -2.5227 -2.4585 -2.4585 -2.4059 -2.4059 -1.1376 -1.1376 -1.0935 -1.0935 -0.2212 -0.2212 0.1351 0.1351 0.4045 0.4045 0.8843 0.8843 0.9890 0.9890 1.0568 1.0568 1.1879 1.1879 1.2605 1.2605 1.8037 1.8037 2.1757 2.1757 6.4289 6.4289 6.6339 6.6339 6.7306 6.7306 9.3670 9.3670 9.4485 9.4486 k = 0.1176 0.0679-0.0000 ( 5732 PWs) bands (ev): -17.8073 -17.8073 -17.5394 -17.5394 -15.6069 -15.6069 -15.5841 -15.5841 -15.4753 -15.4753 -15.4345 -15.4345 -6.3390 -6.3390 -5.5707 -5.5707 -3.7297 -3.7297 -3.5852 -3.5852 -3.5399 -3.5399 -2.5375 -2.5375 -2.4668 -2.4668 -2.4061 -2.4061 -1.1317 -1.1317 -1.0744 -1.0744 -0.2625 -0.2625 0.1329 0.1329 0.4450 0.4450 0.8469 0.8469 0.9803 0.9803 1.0462 1.0462 1.1792 1.1792 1.2665 1.2665 1.7876 1.7876 2.1614 2.1614 6.4501 6.4501 6.6374 6.6374 6.7561 6.7561 9.3778 9.3778 9.4371 9.4371 k = 0.1324 0.0764-0.0000 ( 5732 PWs) bands (ev): -17.8019 -17.8019 -17.5431 -17.5431 -15.6062 -15.6062 -15.5783 -15.5783 -15.4845 -15.4845 -15.4359 -15.4359 -6.3184 -6.3184 -5.6033 -5.6033 -3.7255 -3.7255 -3.5709 -3.5709 -3.4958 -3.4958 -2.5553 -2.5553 -2.4748 -2.4748 -2.4055 -2.4055 -1.1253 -1.1253 -1.0530 -1.0530 -0.3026 -0.3026 0.1305 0.1305 0.4842 0.4842 0.8060 0.8060 0.9703 0.9703 1.0362 1.0362 1.1689 1.1689 1.2711 1.2711 1.7709 1.7709 2.1456 2.1456 6.4720 6.4720 6.6416 6.6416 6.7844 6.7844 9.3872 9.3872 9.4285 9.4285 k = 0.1471 0.0849-0.0000 ( 5730 PWs) bands (ev): -17.7959 -17.7959 -17.5470 -17.5470 -15.6055 -15.6055 -15.5722 -15.5722 -15.4944 -15.4944 -15.4372 -15.4372 -6.2961 -6.2961 -5.6366 -5.6366 -3.7210 -3.7210 -3.5560 -3.5560 -3.4492 -3.4492 -2.5756 -2.5756 -2.4826 -2.4826 -2.4042 -2.4042 -1.1186 -1.1186 -1.0295 -1.0295 -0.3414 -0.3414 0.1278 0.1278 0.5217 0.5217 0.7624 0.7624 0.9587 0.9587 1.0269 1.0269 1.1569 1.1569 1.2741 1.2741 1.7542 1.7542 2.1282 2.1282 6.4938 6.4938 6.6471 6.6471 6.8151 6.8151 9.3894 9.3894 9.4289 9.4289 k = 0.1618 0.0934-0.0000 ( 5726 PWs) bands (ev): -17.7895 -17.7895 -17.5512 -17.5512 -15.6048 -15.6048 -15.5661 -15.5661 -15.5049 -15.5049 -15.4386 -15.4386 -6.2724 -6.2724 -5.6701 -5.6701 -3.7162 -3.7162 -3.5402 -3.5402 -3.4014 -3.4014 -2.5974 -2.5974 -2.4905 -2.4905 -2.4022 -2.4022 -1.1118 -1.1118 -1.0040 -1.0040 -0.3784 -0.3784 0.1250 0.1250 0.5560 0.5560 0.7177 0.7177 0.9453 0.9453 1.0184 1.0184 1.1432 1.1432 1.2754 1.2754 1.7378 1.7378 2.1096 2.1096 6.5145 6.5145 6.6543 6.6543 6.8477 6.8477 9.3820 9.3820 9.4404 9.4404 k = 0.1765 0.1019-0.0000 ( 5730 PWs) bands (ev): -17.7826 -17.7826 -17.5555 -17.5555 -15.6040 -15.6040 -15.5606 -15.5606 -15.5151 -15.5151 -15.4399 -15.4399 -6.2479 -6.2479 -5.7029 -5.7029 -3.7112 -3.7112 -3.5234 -3.5234 -3.3537 -3.3537 -2.6198 -2.6198 -2.4986 -2.4986 -2.3994 -2.3994 -1.1050 -1.1050 -0.9766 -0.9766 -0.4134 -0.4134 0.1220 0.1220 0.5813 0.5813 0.6780 0.6780 0.9300 0.9300 1.0109 1.0109 1.1279 1.1279 1.2751 1.2751 1.7223 1.7223 2.0897 2.0897 6.5328 6.5328 6.6642 6.6642 6.8821 6.8821 9.3703 9.3703 9.4578 9.4578 k = 0.1912 0.1104-0.0000 ( 5732 PWs) bands (ev): -17.7754 -17.7754 -17.5601 -17.5601 -15.6032 -15.6032 -15.5575 -15.5575 -15.5233 -15.5233 -15.4412 -15.4412 -6.2232 -6.2232 -5.7341 -5.7341 -3.7060 -3.7060 -3.5057 -3.5057 -3.3073 -3.3073 -2.6416 -2.6416 -2.5070 -2.5070 -2.3958 -2.3958 -1.0985 -1.0985 -0.9475 -0.9475 -0.4461 -0.4461 0.1188 0.1188 0.5750 0.5750 0.6661 0.6661 0.9125 0.9125 1.0042 1.0042 1.1113 1.1113 1.2730 1.2730 1.7079 1.7079 2.0689 2.0689 6.5479 6.5479 6.6771 6.6771 6.9177 6.9177 9.3571 9.3571 9.4782 9.4782 k = 0.2059 0.1189-0.0000 ( 5732 PWs) bands (ev): -17.7678 -17.7678 -17.5647 -17.5647 -15.6023 -15.6023 -15.5602 -15.5602 -15.5260 -15.5260 -15.4425 -15.4425 -6.1992 -6.1992 -5.7628 -5.7628 -3.7008 -3.7008 -3.4874 -3.4874 -3.2637 -3.2637 -2.6614 -2.6614 -2.5159 -2.5159 -2.3916 -2.3916 -1.0924 -1.0924 -0.9168 -0.9168 -0.4761 -0.4761 0.1155 0.1155 0.5334 0.5334 0.6861 0.6861 0.8925 0.8925 0.9986 0.9986 1.0935 1.0935 1.2692 1.2692 1.6949 1.6949 2.0472 2.0472 6.5592 6.5592 6.6932 6.6932 6.9542 6.9542 9.3431 9.3431 9.5010 9.5010 k = 0.2206 0.1274-0.0000 ( 5732 PWs) bands (ev): -17.7600 -17.7600 -17.5694 -17.5694 -15.6014 -15.6014 -15.5692 -15.5692 -15.5226 -15.5226 -15.4439 -15.4439 -6.1770 -6.1770 -5.7875 -5.7875 -3.6954 -3.6954 -3.4686 -3.4686 -3.2247 -3.2247 -2.6774 -2.6774 -2.5252 -2.5252 -2.3865 -2.3865 -1.0871 -1.0871 -0.8846 -0.8846 -0.5032 -0.5032 0.1121 0.1121 0.4807 0.4807 0.7138 0.7138 0.8699 0.8699 0.9940 0.9940 1.0750 1.0750 1.2640 1.2640 1.6834 1.6834 2.0248 2.0248 6.5670 6.5670 6.7118 6.7118 6.9913 6.9913 9.3284 9.3284 9.5255 9.5255 k = 0.2353 0.1358-0.0000 ( 5724 PWs) bands (ev): -17.7520 -17.7520 -17.5741 -17.5741 -15.6005 -15.6005 -15.5814 -15.5814 -15.5163 -15.5163 -15.4452 -15.4452 -6.1584 -6.1584 -5.8066 -5.8066 -3.6901 -3.6901 -3.4497 -3.4497 -3.1922 -3.1922 -2.6875 -2.6875 -2.5350 -2.5350 -2.3808 -2.3808 -1.0828 -1.0828 -0.8510 -0.8510 -0.5269 -0.5269 0.1086 0.1086 0.4245 0.4245 0.7418 0.7418 0.8446 0.8446 0.9904 0.9904 1.0561 1.0561 1.2573 1.2573 1.6735 1.6735 2.0019 2.0019 6.5719 6.5719 6.7319 6.7319 7.0286 7.0286 9.3134 9.3134 9.5481 9.5482 k = 0.2500 0.1443-0.0000 ( 5720 PWs) bands (ev): -17.7439 -17.7439 -17.5787 -17.5787 -15.5998 -15.5998 -15.5948 -15.5948 -15.5088 -15.5088 -15.4466 -15.4466 -6.1451 -6.1451 -5.8181 -5.8181 -3.6849 -3.6849 -3.4312 -3.4312 -3.1681 -3.1681 -2.6898 -2.6898 -2.5450 -2.5450 -2.3744 -2.3744 -1.0798 -1.0798 -0.8163 -0.8163 -0.5469 -0.5469 0.1050 0.1050 0.3667 0.3667 0.7684 0.7684 0.8168 0.8168 0.9878 0.9878 1.0370 1.0370 1.2497 1.2497 1.6651 1.6651 1.9788 1.9788 6.5746 6.5746 6.7527 6.7527 7.0657 7.0657 9.2980 9.2980 9.5592 9.5593 k = 0.2647 0.1528-0.0000 ( 5726 PWs) bands (ev): -17.7358 -17.7358 -17.5833 -17.5833 -15.6092 -15.6092 -15.5985 -15.5985 -15.5010 -15.5010 -15.4479 -15.4479 -6.1388 -6.1388 -5.8205 -5.8205 -3.6798 -3.6798 -3.4139 -3.4139 -3.1531 -3.1531 -2.6833 -2.6833 -2.5550 -2.5550 -2.3673 -2.3673 -1.0785 -1.0785 -0.7806 -0.7806 -0.5630 -0.5630 0.1012 0.1012 0.3082 0.3082 0.7852 0.7852 0.7939 0.7939 0.9861 0.9861 1.0181 1.0181 1.2413 1.2413 1.6583 1.6583 1.9555 1.9555 6.5755 6.5755 6.7732 6.7732 7.1025 7.1025 9.2825 9.2825 9.5684 9.5684 k = 0.2794 0.1613-0.0000 ( 5724 PWs) bands (ev): -17.7277 -17.7277 -17.5876 -17.5876 -15.6235 -15.6235 -15.5976 -15.5976 -15.4931 -15.4931 -15.4491 -15.4491 -6.1401 -6.1401 -5.8133 -5.8133 -3.6748 -3.6748 -3.3988 -3.3988 -3.1464 -3.1464 -2.6688 -2.6688 -2.5639 -2.5639 -2.3597 -2.3597 -1.0789 -1.0789 -0.7439 -0.7439 -0.5749 -0.5749 0.0972 0.0972 0.2497 0.2497 0.7536 0.7536 0.8146 0.8146 0.9850 0.9850 0.9997 0.9997 1.2327 1.2327 1.6530 1.6530 1.9324 1.9324 6.5752 6.5752 6.7929 6.7929 7.1385 7.1385 9.2671 9.2671 9.5782 9.5782 k = 0.2941 0.1698-0.0000 ( 5728 PWs) bands (ev): -17.7197 -17.7197 -17.5918 -17.5918 -15.6377 -15.6377 -15.5966 -15.5966 -15.4853 -15.4853 -15.4503 -15.4503 -6.1481 -6.1481 -5.7974 -5.7974 -3.6700 -3.6700 -3.3874 -3.3874 -3.1451 -3.1451 -2.6506 -2.6506 -2.5691 -2.5691 -2.3517 -2.3517 -1.0813 -1.0813 -0.7065 -0.7065 -0.5826 -0.5826 0.0929 0.0929 0.1916 0.1916 0.7195 0.7195 0.8328 0.8328 0.9791 0.9791 0.9871 0.9871 1.2244 1.2244 1.6489 1.6489 1.9095 1.9095 6.5738 6.5738 6.8114 6.8114 7.1735 7.1735 9.2520 9.2520 9.5888 9.5888 k = 0.3088 0.1783-0.0000 ( 5720 PWs) bands (ev): -17.7120 -17.7120 -17.5957 -17.5957 -15.6518 -15.6518 -15.5957 -15.5957 -15.4778 -15.4778 -15.4512 -15.4512 -6.1611 -6.1611 -5.7749 -5.7749 -3.6654 -3.6654 -3.3817 -3.3817 -3.1454 -3.1454 -2.6379 -2.6379 -2.5633 -2.5633 -2.3432 -2.3432 -1.0856 -1.0856 -0.6687 -0.6687 -0.5860 -0.5860 0.0880 0.0880 0.1347 0.1347 0.6843 0.6843 0.8477 0.8477 0.9619 0.9619 0.9862 0.9862 1.2172 1.2172 1.6460 1.6460 1.8871 1.8871 6.5716 6.5716 6.8285 6.8285 7.2072 7.2072 9.2374 9.2374 9.6003 9.6003 k = 0.3235 0.1868-0.0000 ( 5728 PWs) bands (ev): -17.7047 -17.7047 -17.5992 -17.5992 -15.6655 -15.6655 -15.5947 -15.5947 -15.4709 -15.4709 -15.4518 -15.4518 -6.1771 -6.1771 -5.7477 -5.7477 -3.6610 -3.6610 -3.3833 -3.3833 -3.1433 -3.1433 -2.6384 -2.6384 -2.5410 -2.5410 -2.3345 -2.3345 -1.0918 -1.0918 -0.6305 -0.6305 -0.5852 -0.5852 0.0739 0.0739 0.0878 0.0878 0.6486 0.6486 0.8591 0.8591 0.9443 0.9443 0.9860 0.9860 1.2115 1.2115 1.6442 1.6442 1.8654 1.8654 6.5688 6.5688 6.8440 6.8440 7.2393 7.2393 9.2234 9.2234 9.6125 9.6125 k = 0.3382 0.1953-0.0000 ( 5732 PWs) bands (ev): -17.6978 -17.6978 -17.6023 -17.6023 -15.6787 -15.6787 -15.5938 -15.5938 -15.4652 -15.4652 -15.4515 -15.4515 -6.1946 -6.1946 -5.7177 -5.7177 -3.6570 -3.6570 -3.3930 -3.3930 -3.1363 -3.1363 -2.6481 -2.6481 -2.5084 -2.5084 -2.3255 -2.3255 -1.0995 -1.0995 -0.5933 -0.5933 -0.5797 -0.5797 0.0227 0.0227 0.0793 0.0793 0.6129 0.6129 0.8671 0.8671 0.9269 0.9269 0.9853 0.9853 1.2080 1.2080 1.6434 1.6434 1.8444 1.8444 6.5654 6.5654 6.8579 6.8579 7.2697 7.2697 9.2104 9.2104 9.6254 9.6254 k = 0.3529 0.2038-0.0000 ( 5718 PWs) bands (ev): -17.6914 -17.6914 -17.6050 -17.6050 -15.6913 -15.6913 -15.5930 -15.5930 -15.4618 -15.4618 -15.4493 -15.4493 -6.2125 -6.2125 -5.6863 -5.6863 -3.6532 -3.6532 -3.4096 -3.4096 -3.1240 -3.1240 -2.6618 -2.6618 -2.4720 -2.4720 -2.3165 -2.3165 -1.1084 -1.1084 -0.5751 -0.5751 -0.5520 -0.5520 -0.0294 -0.0294 0.0728 0.0728 0.5779 0.5779 0.8719 0.8719 0.9099 0.9099 0.9836 0.9836 1.2069 1.2069 1.6435 1.6435 1.8243 1.8243 6.5617 6.5617 6.8702 6.8702 7.2980 7.2980 9.1983 9.1983 9.6389 9.6389 k = 0.3676 0.2123-0.0000 ( 5712 PWs) bands (ev): -17.6858 -17.6858 -17.6071 -17.6071 -15.7031 -15.7031 -15.5921 -15.5921 -15.4607 -15.4607 -15.4450 -15.4450 -6.2300 -6.2300 -5.6546 -5.6546 -3.6498 -3.6498 -3.4311 -3.4311 -3.1071 -3.1071 -2.6778 -2.6778 -2.4350 -2.4350 -2.3075 -2.3075 -1.1183 -1.1183 -0.5644 -0.5644 -0.5142 -0.5142 -0.0792 -0.0792 0.0657 0.0657 0.5443 0.5443 0.8736 0.8736 0.8936 0.8936 0.9810 0.9810 1.2081 1.2081 1.6443 1.6443 1.8052 1.8052 6.5578 6.5578 6.8809 6.8809 7.3242 7.3242 9.1873 9.1873 9.6526 9.6526 k = 0.3824 0.2208-0.0000 ( 5708 PWs) bands (ev): -17.6809 -17.6809 -17.6087 -17.6087 -15.7140 -15.7140 -15.5914 -15.5914 -15.4609 -15.4609 -15.4401 -15.4401 -6.2466 -6.2466 -5.6236 -5.6236 -3.6467 -3.6467 -3.4555 -3.4555 -3.0869 -3.0869 -2.6952 -2.6952 -2.3991 -2.3991 -2.2985 -2.2985 -1.1286 -1.1286 -0.5519 -0.5519 -0.4766 -0.4766 -0.1264 -0.1264 0.0574 0.0574 0.5126 0.5126 0.8726 0.8726 0.8781 0.8781 0.9779 0.9779 1.2113 1.2113 1.6460 1.6460 1.7872 1.7872 6.5538 6.5538 6.8900 6.8900 7.3481 7.3481 9.1775 9.1775 9.6664 9.6664 k = 0.3971 0.2292-0.0000 ( 5708 PWs) bands (ev): -17.6767 -17.6767 -17.6098 -17.6098 -15.7240 -15.7240 -15.5906 -15.5906 -15.4614 -15.4614 -15.4352 -15.4352 -6.2618 -6.2618 -5.5941 -5.5941 -3.6440 -3.6440 -3.4808 -3.4808 -3.0645 -3.0645 -2.7138 -2.7138 -2.3659 -2.3659 -2.2893 -2.2893 -1.1389 -1.1389 -0.5377 -0.5377 -0.4398 -0.4398 -0.1706 -0.1706 0.0479 0.0479 0.4834 0.4834 0.8629 0.8629 0.8700 0.8700 0.9746 0.9746 1.2158 1.2158 1.6483 1.6483 1.7704 1.7704 6.5498 6.5498 6.8978 6.8978 7.3695 7.3695 9.1689 9.1689 9.6801 9.6801 k = 0.4118 0.2377-0.0000 ( 5696 PWs) bands (ev): -17.6734 -17.6734 -17.6103 -17.6103 -15.7328 -15.7328 -15.5900 -15.5900 -15.4620 -15.4620 -15.4308 -15.4308 -6.2754 -6.2754 -5.5668 -5.5668 -3.6416 -3.6416 -3.5055 -3.5055 -3.0408 -3.0408 -2.7332 -2.7332 -2.3368 -2.3368 -2.2796 -2.2796 -1.1490 -1.1490 -0.5222 -0.5222 -0.4042 -0.4042 -0.2116 -0.2116 0.0369 0.0369 0.4573 0.4573 0.8495 0.8495 0.8651 0.8651 0.9717 0.9717 1.2210 1.2210 1.6514 1.6514 1.7548 1.7548 6.5460 6.5460 6.9042 6.9042 7.3883 7.3883 9.1616 9.1616 9.6932 9.6932 k = 0.4265 0.2462-0.0000 ( 5694 PWs) bands (ev): -17.6709 -17.6709 -17.6104 -17.6104 -15.7404 -15.7404 -15.5895 -15.5895 -15.4625 -15.4625 -15.4269 -15.4269 -6.2872 -6.2872 -5.5423 -5.5423 -3.6396 -3.6396 -3.5283 -3.5283 -3.0164 -3.0164 -2.7533 -2.7533 -2.3133 -2.3133 -2.2685 -2.2685 -1.1583 -1.1583 -0.5057 -0.5057 -0.3705 -0.3705 -0.2491 -0.2491 0.0247 0.0247 0.4348 0.4348 0.8375 0.8375 0.8592 0.8592 0.9693 0.9693 1.2264 1.2264 1.6551 1.6551 1.7404 1.7404 6.5426 6.5426 6.9095 6.9095 7.4043 7.4043 9.1554 9.1554 9.7053 9.7053 k = 0.4412 0.2547-0.0000 ( 5688 PWs) bands (ev): -17.6691 -17.6691 -17.6102 -17.6102 -15.7468 -15.7468 -15.5890 -15.5890 -15.4631 -15.4631 -15.4236 -15.4236 -6.2970 -6.2970 -5.5214 -5.5214 -3.6380 -3.6380 -3.5484 -3.5484 -2.9919 -2.9919 -2.7739 -2.7739 -2.2970 -2.2970 -2.2555 -2.2555 -1.1666 -1.1666 -0.4886 -0.4886 -0.3395 -0.3395 -0.2831 -0.2831 0.0115 0.0115 0.4162 0.4162 0.8272 0.8272 0.8531 0.8531 0.9675 0.9675 1.2314 1.2314 1.6596 1.6596 1.7272 1.7272 6.5395 6.5395 6.9136 6.9136 7.4176 7.4176 9.1503 9.1503 9.7161 9.7161 k = 0.4559 0.2632-0.0000 ( 5680 PWs) bands (ev): -17.6678 -17.6678 -17.6098 -17.6098 -15.7518 -15.7518 -15.5886 -15.5886 -15.4635 -15.4635 -15.4210 -15.4210 -6.3047 -6.3047 -5.5045 -5.5045 -3.6367 -3.6367 -3.5647 -3.5647 -2.9682 -2.9682 -2.7943 -2.7943 -2.2868 -2.2868 -2.2420 -2.2420 -1.1734 -1.1734 -0.4713 -0.4713 -0.3165 -0.3165 -0.3090 -0.3090 -0.0018 -0.0018 0.4017 0.4017 0.8189 0.8189 0.8475 0.8475 0.9662 0.9662 1.2357 1.2357 1.6649 1.6649 1.7151 1.7151 6.5371 6.5371 6.9168 6.9168 7.4279 7.4279 9.1465 9.1465 9.7250 9.7250 k = 0.4706 0.2717-0.0000 ( 5674 PWs) bands (ev): -17.6670 -17.6670 -17.6094 -17.6094 -15.7554 -15.7554 -15.5883 -15.5883 -15.4638 -15.4638 -15.4192 -15.4192 -6.3103 -6.3103 -5.4920 -5.4920 -3.6358 -3.6358 -3.5769 -3.5769 -2.9464 -2.9464 -2.8137 -2.8137 -2.2809 -2.2809 -2.2306 -2.2306 -1.1785 -1.1785 -0.4543 -0.4543 -0.3400 -0.3400 -0.2896 -0.2896 -0.0137 -0.0137 0.3913 0.3913 0.8127 0.8127 0.8430 0.8430 0.9654 0.9654 1.2390 1.2390 1.6709 1.6709 1.7043 1.7043 6.5352 6.5352 6.9189 6.9189 7.4354 7.4354 9.1438 9.1438 9.7318 9.7318 k = 0.4853 0.2802-0.0000 ( 5676 PWs) bands (ev): -17.6665 -17.6665 -17.6092 -17.6092 -15.7576 -15.7576 -15.5882 -15.5882 -15.4640 -15.4640 -15.4180 -15.4180 -6.3137 -6.3137 -5.4844 -5.4844 -3.6353 -3.6353 -3.5844 -3.5844 -2.9291 -2.9291 -2.8295 -2.8295 -2.2777 -2.2777 -2.2232 -2.2232 -1.1817 -1.1817 -0.4396 -0.4396 -0.3600 -0.3600 -0.2751 -0.2751 -0.0222 -0.0222 0.3851 0.3851 0.8089 0.8089 0.8401 0.8401 0.9649 0.9649 1.2410 1.2410 1.6777 1.6777 1.6945 1.6945 6.5341 6.5341 6.9202 6.9202 7.4399 7.4399 9.1421 9.1421 9.7360 9.7360 k = 0.5000 0.2887-0.0000 ( 5688 PWs) bands (ev): -17.6664 -17.6664 -17.6091 -17.6091 -15.7584 -15.7584 -15.5881 -15.5881 -15.4641 -15.4641 -15.4177 -15.4177 -6.3148 -6.3148 -5.4819 -5.4819 -3.6351 -3.6351 -3.5869 -3.5869 -2.9219 -2.9219 -2.8362 -2.8362 -2.2767 -2.2767 -2.2207 -2.2207 -1.1828 -1.1828 -0.4329 -0.4329 -0.3685 -0.3685 -0.2700 -0.2700 -0.0254 -0.0254 0.3831 0.3831 0.8077 0.8077 0.8391 0.8391 0.9648 0.9648 1.2417 1.2417 1.6841 1.6841 1.6871 1.6871 6.5337 6.5337 6.9207 6.9207 7.4414 7.4414 9.1416 9.1416 9.7374 9.7374 k = 0.5000 0.2887-0.0000 ( 5688 PWs) bands (ev): -17.6664 -17.6664 -17.6091 -17.6091 -15.7584 -15.7584 -15.5881 -15.5881 -15.4641 -15.4641 -15.4177 -15.4177 -6.3148 -6.3148 -5.4819 -5.4819 -3.6351 -3.6351 -3.5869 -3.5869 -2.9219 -2.9219 -2.8362 -2.8362 -2.2767 -2.2767 -2.2207 -2.2207 -1.1828 -1.1828 -0.4329 -0.4329 -0.3685 -0.3685 -0.2700 -0.2700 -0.0254 -0.0254 0.3831 0.3831 0.8077 0.8077 0.8391 0.8391 0.9648 0.9648 1.2417 1.2417 1.6841 1.6841 1.6871 1.6871 6.5337 6.5337 6.9207 6.9207 7.4414 7.4414 9.1416 9.1416 9.7374 9.7374 k = 0.4917 0.3031-0.0000 ( 5682 PWs) bands (ev): -17.6662 -17.6662 -17.6092 -17.6092 -15.7585 -15.7585 -15.5879 -15.5879 -15.4643 -15.4643 -15.4176 -15.4176 -6.3135 -6.3135 -5.4840 -5.4840 -3.6337 -3.6337 -3.5867 -3.5867 -2.9199 -2.9199 -2.8374 -2.8374 -2.2776 -2.2776 -2.2213 -2.2213 -1.1809 -1.1809 -0.4370 -0.4370 -0.3742 -0.3742 -0.2653 -0.2653 -0.0208 -0.0208 0.3836 0.3836 0.8077 0.8077 0.8396 0.8396 0.9651 0.9651 1.2408 1.2408 1.6820 1.6820 1.6859 1.6859 6.5360 6.5360 6.9207 6.9207 7.4401 7.4401 9.1422 9.1422 9.7317 9.7317 k = 0.4833 0.3175-0.0000 ( 5684 PWs) bands (ev): -17.6657 -17.6657 -17.6095 -17.6095 -15.7589 -15.7589 -15.5873 -15.5873 -15.4651 -15.4651 -15.4175 -15.4175 -6.3098 -6.3098 -5.4903 -5.4903 -3.6293 -3.6293 -3.5863 -3.5863 -2.9139 -2.9139 -2.8411 -2.8411 -2.2803 -2.2803 -2.2229 -2.2229 -1.1753 -1.1753 -0.4487 -0.4487 -0.3889 -0.3889 -0.2538 -0.2538 -0.0077 -0.0077 0.3853 0.3853 0.8079 0.8079 0.8412 0.8412 0.9660 0.9660 1.2381 1.2381 1.6756 1.6756 1.6823 1.6823 6.5430 6.5430 6.9207 6.9207 7.4365 7.4365 9.1440 9.1440 9.7161 9.7161 k = 0.4750 0.3320-0.0000 ( 5690 PWs) bands (ev): -17.6649 -17.6649 -17.6100 -17.6100 -15.7596 -15.7596 -15.5863 -15.5863 -15.4663 -15.4663 -15.4172 -15.4172 -6.3035 -6.3035 -5.5006 -5.5006 -3.6221 -3.6221 -3.5856 -3.5856 -2.9040 -2.9040 -2.8473 -2.8473 -2.2846 -2.2846 -2.2254 -2.2254 -1.1661 -1.1661 -0.4665 -0.4665 -0.4087 -0.4087 -0.2391 -0.2391 0.0126 0.0126 0.3880 0.3880 0.8080 0.8080 0.8438 0.8438 0.9675 0.9675 1.2336 1.2336 1.6652 1.6652 1.6762 1.6762 6.5545 6.5545 6.9208 6.9208 7.4305 7.4305 9.1470 9.1470 9.6938 9.6938 k = 0.4667 0.3464-0.0000 ( 5698 PWs) bands (ev): -17.6638 -17.6638 -17.6107 -17.6107 -15.7605 -15.7605 -15.5849 -15.5849 -15.4679 -15.4679 -15.4168 -15.4168 -6.2948 -6.2948 -5.5146 -5.5146 -3.6123 -3.6123 -3.5847 -3.5847 -2.8905 -2.8905 -2.8557 -2.8557 -2.2903 -2.2903 -2.2289 -2.2289 -1.1538 -1.1538 -0.4890 -0.4890 -0.4313 -0.4313 -0.2235 -0.2235 0.0384 0.0384 0.3918 0.3918 0.8079 0.8079 0.8475 0.8475 0.9696 0.9696 1.2274 1.2274 1.6511 1.6511 1.6679 1.6679 6.5702 6.5702 6.9209 6.9209 7.4221 7.4221 9.1513 9.1513 9.6680 9.6680 k = 0.4583 0.3608-0.0000 ( 5698 PWs) bands (ev): -17.6624 -17.6624 -17.6115 -17.6115 -15.7616 -15.7616 -15.5831 -15.5831 -15.4700 -15.4700 -15.4163 -15.4163 -6.2838 -6.2838 -5.5322 -5.5322 -3.6004 -3.6004 -3.5833 -3.5833 -2.8765 -2.8765 -2.8637 -2.8637 -2.2972 -2.2972 -2.2330 -2.2330 -1.1387 -1.1387 -0.5144 -0.5144 -0.4556 -0.4556 -0.2081 -0.2081 0.0682 0.0682 0.3967 0.3967 0.8073 0.8073 0.8522 0.8522 0.9722 0.9722 1.2195 1.2195 1.6338 1.6338 1.6574 1.6574 6.5900 6.5900 6.9210 6.9210 7.4115 7.4115 9.1570 9.1570 9.6412 9.6412 k = 0.4500 0.3753-0.0000 ( 5690 PWs) bands (ev): -17.6608 -17.6608 -17.6125 -17.6125 -15.7630 -15.7630 -15.5809 -15.5809 -15.4725 -15.4725 -15.4157 -15.4157 -6.2704 -6.2704 -5.5528 -5.5528 -3.5875 -3.5875 -3.5804 -3.5804 -2.8840 -2.8840 -2.8494 -2.8494 -2.3047 -2.3047 -2.2379 -2.2379 -1.1212 -1.1212 -0.5418 -0.5418 -0.4808 -0.4808 -0.1932 -0.1932 0.1007 0.1007 0.4026 0.4026 0.8059 0.8059 0.8581 0.8581 0.9754 0.9754 1.2099 1.2099 1.6138 1.6138 1.6447 1.6447 6.6133 6.6133 6.9212 6.9212 7.3988 7.3988 9.1641 9.1641 9.6148 9.6148 k = 0.4417 0.3897-0.0000 ( 5692 PWs) bands (ev): -17.6589 -17.6589 -17.6137 -17.6137 -15.7646 -15.7646 -15.5784 -15.5784 -15.4754 -15.4754 -15.4150 -15.4150 -6.2550 -6.2550 -5.5761 -5.5761 -3.5819 -3.5819 -3.5682 -3.5682 -2.9004 -2.9004 -2.8256 -2.8256 -2.3127 -2.3127 -2.2434 -2.2434 -1.1020 -1.1020 -0.5702 -0.5702 -0.5064 -0.5064 -0.1792 -0.1792 0.1351 0.1351 0.4095 0.4095 0.8033 0.8033 0.8649 0.8649 0.9792 0.9792 1.1988 1.1988 1.5918 1.5918 1.6302 1.6302 6.6397 6.6397 6.9213 6.9213 7.3840 7.3840 9.1727 9.1727 9.5896 9.5896 k = 0.4333 0.4041-0.0000 ( 5688 PWs) bands (ev): -17.6568 -17.6568 -17.6150 -17.6150 -15.7664 -15.7664 -15.5756 -15.5756 -15.4787 -15.4787 -15.4142 -15.4142 -6.2374 -6.2374 -5.6017 -5.6017 -3.5797 -3.5797 -3.5508 -3.5508 -2.9200 -2.9200 -2.7984 -2.7984 -2.3207 -2.3207 -2.2494 -2.2494 -1.0814 -1.0814 -0.5989 -0.5989 -0.5322 -0.5322 -0.1659 -0.1659 0.1706 0.1706 0.4175 0.4175 0.7993 0.7993 0.8727 0.8727 0.9834 0.9834 1.1862 1.1862 1.5685 1.5685 1.6140 1.6140 6.6688 6.6688 6.9215 6.9215 7.3673 7.3673 9.1828 9.1828 9.5662 9.5662 k = 0.4250 0.4186-0.0000 ( 5678 PWs) bands (ev): -17.6545 -17.6545 -17.6164 -17.6164 -15.7683 -15.7683 -15.5725 -15.5725 -15.4822 -15.4822 -15.4134 -15.4134 -6.2181 -6.2181 -5.6291 -5.6291 -3.5777 -3.5777 -3.5317 -3.5317 -2.9422 -2.9422 -2.7685 -2.7685 -2.3285 -2.3285 -2.2560 -2.2560 -1.0599 -1.0599 -0.6274 -0.6274 -0.5578 -0.5578 -0.1535 -0.1535 0.2064 0.2064 0.4264 0.4264 0.7934 0.7934 0.8813 0.8813 0.9882 0.9882 1.1722 1.1722 1.5448 1.5448 1.5963 1.5963 6.7001 6.7001 6.9216 6.9216 7.3489 7.3489 9.1947 9.1947 9.5448 9.5448 k = 0.4167 0.4330-0.0000 ( 5680 PWs) bands (ev): -17.6521 -17.6521 -17.6179 -17.6179 -15.7704 -15.7704 -15.5692 -15.5692 -15.4860 -15.4860 -15.4124 -15.4124 -6.1970 -6.1970 -5.6580 -5.6580 -3.5756 -3.5756 -3.5113 -3.5113 -2.9669 -2.9669 -2.7364 -2.7364 -2.3360 -2.3360 -2.2631 -2.2631 -1.0379 -1.0379 -0.6554 -0.6554 -0.5830 -0.5830 -0.1417 -0.1417 0.2420 0.2420 0.4363 0.4363 0.7853 0.7853 0.8905 0.8905 0.9933 0.9933 1.1570 1.1570 1.5214 1.5214 1.5774 1.5774 6.7330 6.7330 6.9219 6.9219 7.3289 7.3289 9.2084 9.2084 9.5256 9.5256 k = 0.4083 0.4474-0.0000 ( 5684 PWs) bands (ev): -17.6496 -17.6496 -17.6194 -17.6194 -15.7725 -15.7725 -15.5657 -15.5657 -15.4900 -15.4900 -15.4115 -15.4115 -6.1744 -6.1744 -5.6878 -5.6878 -3.5734 -3.5734 -3.4899 -3.4899 -2.9937 -2.9937 -2.7026 -2.7026 -2.3431 -2.3431 -2.2707 -2.2707 -1.0158 -1.0158 -0.6824 -0.6824 -0.6076 -0.6076 -0.1304 -0.1304 0.2769 0.2769 0.4472 0.4472 0.7746 0.7746 0.9003 0.9003 0.9987 0.9987 1.1408 1.1408 1.4992 1.4992 1.5576 1.5576 6.7668 6.7668 6.9224 6.9224 7.3075 7.3075 9.2238 9.2238 9.5085 9.5085 k = 0.4000 0.4619-0.0000 ( 5684 PWs) bands (ev): -17.6471 -17.6471 -17.6210 -17.6210 -15.7747 -15.7747 -15.5619 -15.5619 -15.4942 -15.4942 -15.4105 -15.4105 -6.1505 -6.1505 -5.7182 -5.7182 -3.5712 -3.5712 -3.4677 -3.4677 -3.0224 -3.0224 -2.6675 -2.6675 -2.3500 -2.3500 -2.2787 -2.2787 -0.9939 -0.9939 -0.7082 -0.7082 -0.6314 -0.6314 -0.1196 -0.1196 0.3105 0.3105 0.4592 0.4592 0.7612 0.7612 0.9104 0.9104 1.0043 1.0043 1.1239 1.1239 1.4790 1.4790 1.5374 1.5374 6.8009 6.8009 6.9232 6.9232 7.2850 7.2850 9.2412 9.2412 9.4934 9.4935 k = 0.3917 0.4763-0.0000 ( 5694 PWs) bands (ev): -17.6446 -17.6446 -17.6225 -17.6225 -15.7769 -15.7769 -15.5580 -15.5580 -15.4985 -15.4985 -15.4096 -15.4096 -6.1256 -6.1256 -5.7489 -5.7489 -3.5689 -3.5689 -3.4446 -3.4446 -3.0525 -3.0525 -2.6318 -2.6318 -2.3567 -2.3567 -2.2871 -2.2871 -0.9725 -0.9725 -0.7325 -0.7325 -0.6543 -0.6543 -0.1091 -0.1091 0.3422 0.3422 0.4723 0.4723 0.7450 0.7450 0.9208 0.9208 1.0098 1.0098 1.1067 1.1067 1.4612 1.4612 1.5170 1.5170 6.8343 6.8343 6.9250 6.9250 7.2615 7.2615 9.2604 9.2604 9.4804 9.4804 k = 0.3833 0.4907-0.0000 ( 5690 PWs) bands (ev): -17.6422 -17.6422 -17.6240 -17.6240 -15.7790 -15.7790 -15.5540 -15.5540 -15.5029 -15.5029 -15.4086 -15.4086 -6.0999 -6.0999 -5.7795 -5.7795 -3.5667 -3.5667 -3.4209 -3.4209 -3.0836 -3.0836 -2.5960 -2.5960 -2.3635 -2.3635 -2.2959 -2.2959 -0.9515 -0.9515 -0.7552 -0.7552 -0.6760 -0.6760 -0.0990 -0.0990 0.3711 0.3711 0.4867 0.4867 0.7260 0.7260 0.9311 0.9311 1.0149 1.0149 1.0897 1.0897 1.4464 1.4464 1.4970 1.4970 6.8650 6.8650 6.9291 6.9291 7.2373 7.2373 9.2815 9.2815 9.4691 9.4691 k = 0.3750 0.5052-0.0000 ( 5674 PWs) bands (ev): -17.6399 -17.6399 -17.6255 -17.6255 -15.7809 -15.7809 -15.5499 -15.5499 -15.5073 -15.5073 -15.4077 -15.4077 -6.0737 -6.0737 -5.8096 -5.8096 -3.5645 -3.5645 -3.3965 -3.3965 -3.1153 -3.1153 -2.5607 -2.5607 -2.3706 -2.3706 -2.3050 -2.3050 -0.9313 -0.9313 -0.7760 -0.7760 -0.6964 -0.6964 -0.0892 -0.0892 0.3966 0.3966 0.5024 0.5024 0.7048 0.7048 0.9414 0.9414 1.0188 1.0188 1.0740 1.0740 1.4347 1.4347 1.4780 1.4780 6.8888 6.8888 6.9392 6.9392 7.2127 7.2127 9.3043 9.3043 9.4595 9.4595 k = 0.3667 0.5196-0.0000 ( 5678 PWs) bands (ev): -17.6378 -17.6378 -17.6268 -17.6268 -15.7827 -15.7827 -15.5458 -15.5458 -15.5117 -15.5117 -15.4069 -15.4069 -6.0473 -6.0473 -5.8390 -5.8390 -3.5625 -3.5625 -3.3716 -3.3716 -3.1473 -3.1473 -2.5266 -2.5266 -2.3781 -2.3781 -2.3142 -2.3142 -0.9117 -0.9117 -0.7947 -0.7947 -0.7152 -0.7152 -0.0802 -0.0802 0.4179 0.4179 0.5196 0.5196 0.6820 0.6820 0.9515 0.9515 1.0196 1.0196 1.0616 1.0616 1.4261 1.4261 1.4604 1.4604 6.9015 6.9015 6.9592 6.9592 7.1880 7.1880 9.3287 9.3287 9.4514 9.4514 k = 0.3583 0.5340-0.0000 ( 5678 PWs) bands (ev): -17.6361 -17.6361 -17.6279 -17.6279 -15.7842 -15.7842 -15.5416 -15.5416 -15.5161 -15.5161 -15.4062 -15.4062 -6.0210 -6.0210 -5.8675 -5.8675 -3.5607 -3.5607 -3.3462 -3.3462 -3.1789 -3.1789 -2.4945 -2.4945 -2.3864 -2.3864 -2.3234 -2.3234 -0.8930 -0.8930 -0.8113 -0.8113 -0.7321 -0.7321 -0.0721 -0.0721 0.4347 0.4347 0.5378 0.5378 0.6583 0.6583 0.9611 0.9611 1.0151 1.0151 1.0551 1.0551 1.4206 1.4206 1.4450 1.4450 6.9065 6.9065 6.9847 6.9847 7.1638 7.1638 9.3543 9.3543 9.4449 9.4449 k = 0.3500 0.5485-0.0000 ( 5670 PWs) bands (ev): -17.6347 -17.6347 -17.6288 -17.6288 -15.7854 -15.7854 -15.5374 -15.5374 -15.5205 -15.5205 -15.4057 -15.4057 -5.9953 -5.9953 -5.8946 -5.8946 -3.5592 -3.5592 -3.3204 -3.3204 -3.2097 -3.2097 -2.4657 -2.4657 -2.3953 -2.3953 -2.3319 -2.3319 -0.8755 -0.8755 -0.8253 -0.8253 -0.7465 -0.7465 -0.0655 -0.0655 0.4467 0.4467 0.5566 0.5566 0.6348 0.6348 0.9702 0.9702 1.0063 1.0063 1.0537 1.0537 1.4178 1.4178 1.4325 1.4325 6.9085 6.9085 7.0099 7.0099 7.1412 7.1412 9.3804 9.3804 9.4399 9.4399 k = 0.3417 0.5629-0.0000 ( 5664 PWs) bands (ev): -17.6339 -17.6339 -17.6293 -17.6293 -15.7861 -15.7861 -15.5333 -15.5333 -15.5247 -15.5247 -15.4054 -15.4054 -5.9706 -5.9706 -5.9199 -5.9199 -3.5582 -3.5582 -3.2941 -3.2941 -3.2393 -3.2393 -2.4426 -2.4426 -2.4043 -2.4043 -2.3389 -2.3389 -0.8607 -0.8607 -0.8365 -0.8365 -0.7570 -0.7570 -0.0610 -0.0610 0.4540 0.4540 0.5752 0.5752 0.6128 0.6128 0.9785 0.9785 0.9967 0.9967 1.0543 1.0543 1.4173 1.4173 1.4236 1.4236 6.9094 6.9094 7.0303 7.0303 7.1228 7.1228 9.4045 9.4045 9.4384 9.4384 k = 0.3333 0.5774-0.0000 ( 5652 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7864 -15.7864 -15.5300 -15.5300 -15.5280 -15.5280 -15.4053 -15.4053 -5.9529 -5.9529 -5.9378 -5.9378 -3.5578 -3.5578 -3.2701 -3.2701 -3.2646 -3.2646 -2.4324 -2.4324 -2.4089 -2.4089 -2.3420 -2.3420 -0.8535 -0.8535 -0.8419 -0.8419 -0.7612 -0.7612 -0.0594 -0.0594 0.4564 0.4564 0.5928 0.5928 0.5939 0.5939 0.9834 0.9834 0.9911 0.9911 1.0548 1.0548 1.4187 1.4187 1.4191 1.4191 6.9096 6.9096 7.0389 7.0389 7.1150 7.1150 9.4154 9.4154 9.4486 9.4486 k = 0.3333 0.5774-0.0000 ( 5652 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7864 -15.7864 -15.5300 -15.5300 -15.5280 -15.5280 -15.4053 -15.4053 -5.9529 -5.9529 -5.9378 -5.9378 -3.5578 -3.5578 -3.2701 -3.2701 -3.2646 -3.2646 -2.4324 -2.4324 -2.4089 -2.4089 -2.3420 -2.3420 -0.8535 -0.8535 -0.8419 -0.8419 -0.7612 -0.7612 -0.0594 -0.0594 0.4564 0.4564 0.5928 0.5928 0.5939 0.5939 0.9834 0.9834 0.9911 0.9911 1.0548 1.0548 1.4187 1.4187 1.4191 1.4191 6.9096 6.9096 7.0389 7.0389 7.1150 7.1150 9.4154 9.4154 9.4486 9.4486 k = 0.3248 0.5625-0.0000 ( 5664 PWs) bands (ev): -17.6338 -17.6338 -17.6294 -17.6294 -15.7861 -15.7861 -15.5333 -15.5333 -15.5247 -15.5247 -15.4054 -15.4054 -5.9697 -5.9697 -5.9210 -5.9210 -3.5583 -3.5583 -3.2937 -3.2937 -3.2395 -3.2395 -2.4401 -2.4401 -2.4080 -2.4080 -2.3380 -2.3380 -0.8575 -0.8575 -0.8405 -0.8405 -0.7560 -0.7560 -0.0614 -0.0614 0.4539 0.4539 0.5774 0.5774 0.6111 0.6111 0.9799 0.9799 0.9956 0.9956 1.0541 1.0541 1.4188 1.4188 1.4223 1.4223 6.9094 6.9094 7.0307 7.0307 7.1224 7.1224 9.4072 9.4072 9.4343 9.4343 k = 0.3162 0.5477-0.0000 ( 5674 PWs) bands (ev): -17.6341 -17.6341 -17.6295 -17.6295 -15.7851 -15.7851 -15.5373 -15.5373 -15.5206 -15.5206 -15.4058 -15.4058 -5.9901 -5.9901 -5.9002 -5.9002 -3.5599 -3.5599 -3.3169 -3.3169 -3.2116 -3.2116 -2.4547 -2.4547 -2.4124 -2.4124 -2.3275 -2.3275 -0.8623 -0.8623 -0.8429 -0.8429 -0.7409 -0.7409 -0.0677 -0.0677 0.4463 0.4463 0.5664 0.5664 0.6278 0.6278 0.9768 0.9768 1.0015 1.0015 1.0521 1.0521 1.4238 1.4238 1.4270 1.4270 6.9086 6.9086 7.0128 7.0128 7.1379 7.1379 9.3898 9.3898 9.4285 9.4285 k = 0.3077 0.5329-0.0000 ( 5670 PWs) bands (ev): -17.6343 -17.6343 -17.6299 -17.6299 -15.7834 -15.7834 -15.5412 -15.5412 -15.5166 -15.5166 -15.4066 -15.4066 -6.0088 -6.0088 -5.8813 -5.8813 -3.5628 -3.5628 -3.3368 -3.3368 -3.1835 -3.1835 -2.4723 -2.4723 -2.4220 -2.4220 -2.3150 -2.3150 -0.8656 -0.8656 -0.8484 -0.8484 -0.7189 -0.7189 -0.0788 -0.0788 0.4342 0.4342 0.5611 0.5611 0.6437 0.6437 0.9762 0.9762 1.0066 1.0066 1.0488 1.0488 1.4326 1.4326 1.4340 1.4340 6.9071 6.9071 6.9922 6.9922 7.1546 7.1546 9.3717 9.3717 9.4263 9.4263 k = 0.2991 0.5181-0.0000 ( 5682 PWs) bands (ev): -17.6347 -17.6347 -17.6305 -17.6305 -15.7809 -15.7809 -15.5450 -15.5450 -15.5127 -15.5127 -15.4077 -15.4077 -6.0253 -6.0253 -5.8649 -5.8649 -3.5673 -3.5673 -3.3529 -3.3529 -3.1554 -3.1554 -2.4919 -2.4919 -2.4345 -2.4345 -2.3035 -2.3035 -0.8676 -0.8676 -0.8546 -0.8546 -0.6921 -0.6921 -0.0945 -0.0945 0.4180 0.4180 0.5619 0.5619 0.6587 0.6587 0.9780 0.9780 1.0106 1.0106 1.0447 1.0447 1.4394 1.4394 1.4484 1.4484 6.9042 6.9042 6.9718 6.9718 7.1701 7.1701 9.3554 9.3554 9.4255 9.4255 k = 0.2906 0.5033-0.0000 ( 5694 PWs) bands (ev): -17.6356 -17.6356 -17.6310 -17.6310 -15.7776 -15.7776 -15.5486 -15.5486 -15.5089 -15.5089 -15.4093 -15.4093 -6.0393 -6.0393 -5.8514 -5.8514 -3.5733 -3.5733 -3.3650 -3.3650 -3.1272 -3.1272 -2.5134 -2.5134 -2.4488 -2.4488 -2.2943 -2.2943 -0.8689 -0.8689 -0.8600 -0.8600 -0.6618 -0.6618 -0.1143 -0.1143 0.3985 0.3985 0.5684 0.5684 0.6729 0.6729 0.9816 0.9816 1.0134 1.0134 1.0408 1.0408 1.4468 1.4468 1.4670 1.4670 6.8988 6.8988 6.9537 6.9537 7.1835 7.1835 9.3413 9.3413 9.4257 9.4257 k = 0.2821 0.4885-0.0000 ( 5694 PWs) bands (ev): -17.6373 -17.6373 -17.6308 -17.6308 -15.7734 -15.7734 -15.5520 -15.5520 -15.5052 -15.5052 -15.4112 -15.4112 -6.0509 -6.0509 -5.8411 -5.8411 -3.5807 -3.5807 -3.3732 -3.3732 -3.0993 -3.0993 -2.5365 -2.5365 -2.4645 -2.4645 -2.2879 -2.2879 -0.8707 -0.8707 -0.8633 -0.8633 -0.6287 -0.6287 -0.1375 -0.1375 0.3768 0.3768 0.5802 0.5802 0.6862 0.6862 0.9859 0.9859 1.0147 1.0147 1.0379 1.0379 1.4545 1.4545 1.4890 1.4890 6.8894 6.8894 6.9396 6.9396 7.1944 7.1944 9.3297 9.3297 9.4268 9.4268 k = 0.2735 0.4737-0.0000 ( 5696 PWs) bands (ev): -17.6400 -17.6400 -17.6300 -17.6300 -15.7682 -15.7682 -15.5553 -15.5553 -15.5017 -15.5017 -15.4135 -15.4135 -6.0599 -6.0599 -5.8341 -5.8341 -3.5890 -3.5890 -3.3779 -3.3779 -3.0716 -3.0716 -2.5608 -2.5608 -2.4812 -2.4812 -2.2842 -2.2842 -0.8733 -0.8733 -0.8643 -0.8643 -0.5935 -0.5935 -0.1629 -0.1629 0.3535 0.3535 0.5967 0.5967 0.6987 0.6987 0.9897 0.9897 1.0147 1.0147 1.0374 1.0374 1.4627 1.4627 1.5137 1.5137 6.8757 6.8757 6.9299 6.9299 7.2027 7.2027 9.3204 9.3204 9.4286 9.4286 k = 0.2650 0.4589-0.0000 ( 5694 PWs) bands (ev): -17.6435 -17.6435 -17.6288 -17.6288 -15.7621 -15.7621 -15.5585 -15.5585 -15.4983 -15.4983 -15.4163 -15.4163 -6.0662 -6.0662 -5.8307 -5.8307 -3.5980 -3.5980 -3.3795 -3.3795 -3.0446 -3.0446 -2.5859 -2.5859 -2.4990 -2.4990 -2.2831 -2.2831 -0.8753 -0.8753 -0.8646 -0.8646 -0.5572 -0.5572 -0.1887 -0.1887 0.3296 0.3296 0.6170 0.6170 0.7104 0.7104 0.9919 0.9919 1.0131 1.0131 1.0408 1.0408 1.4711 1.4711 1.5407 1.5407 6.8591 6.8591 6.9231 6.9231 7.2082 7.2082 9.3134 9.3134 9.4312 9.4312 k = 0.2564 0.4441-0.0000 ( 5698 PWs) bands (ev): -17.6476 -17.6476 -17.6272 -17.6272 -15.7551 -15.7551 -15.5615 -15.5615 -15.4952 -15.4952 -15.4194 -15.4194 -6.0699 -6.0699 -5.8309 -5.8309 -3.6071 -3.6071 -3.3786 -3.3786 -3.0184 -3.0184 -2.6114 -2.6114 -2.5178 -2.5178 -2.2843 -2.2843 -0.8760 -0.8760 -0.8654 -0.8654 -0.5213 -0.5213 -0.2127 -0.2127 0.3058 0.3058 0.6404 0.6404 0.7214 0.7214 0.9922 0.9922 1.0098 1.0098 1.0481 1.0481 1.4798 1.4798 1.5694 1.5694 6.8413 6.8413 6.9174 6.9174 7.2110 7.2110 9.3086 9.3086 9.4344 9.4344 k = 0.2479 0.4293-0.0000 ( 5710 PWs) bands (ev): -17.6524 -17.6524 -17.6252 -17.6252 -15.7472 -15.7472 -15.5643 -15.5643 -15.4923 -15.4923 -15.4230 -15.4230 -6.0708 -6.0708 -5.8347 -5.8347 -3.6161 -3.6161 -3.3760 -3.3760 -2.9934 -2.9934 -2.6368 -2.6368 -2.5373 -2.5373 -2.2876 -2.2876 -0.8753 -0.8753 -0.8673 -0.8673 -0.4890 -0.4890 -0.2313 -0.2313 0.2827 0.2827 0.6661 0.6661 0.7318 0.7318 0.9911 0.9911 1.0048 1.0048 1.0588 1.0588 1.4888 1.4888 1.5993 1.5993 6.8233 6.8233 6.9116 6.9116 7.2111 7.2111 9.3057 9.3057 9.4382 9.4382 k = 0.2393 0.4145-0.0000 ( 5716 PWs) bands (ev): -17.6578 -17.6578 -17.6229 -17.6229 -15.7383 -15.7383 -15.5670 -15.5670 -15.4896 -15.4896 -15.4268 -15.4268 -6.0689 -6.0689 -5.8422 -5.8422 -3.6247 -3.6247 -3.3723 -3.3723 -2.9702 -2.9702 -2.6614 -2.6614 -2.5574 -2.5574 -2.2924 -2.2924 -0.8733 -0.8733 -0.8704 -0.8704 -0.4657 -0.4657 -0.2386 -0.2386 0.2608 0.2608 0.6937 0.6937 0.7418 0.7418 0.9892 0.9892 0.9986 0.9986 1.0717 1.0717 1.4979 1.4979 1.6301 1.6301 6.8057 6.8057 6.9050 6.9050 7.2086 7.2086 9.3047 9.3047 9.4427 9.4427 k = 0.2308 0.3997-0.0000 ( 5707 PWs) bands (ev): -17.6637 -17.6637 -17.6203 -17.6203 -15.7286 -15.7286 -15.5696 -15.5696 -15.4874 -15.4874 -15.4309 -15.4309 -6.0643 -6.0643 -5.8531 -5.8531 -3.6328 -3.6328 -3.3680 -3.3680 -2.9494 -2.9494 -2.6845 -2.6845 -2.5775 -2.5775 -2.2986 -2.2986 -0.8764 -0.8764 -0.8688 -0.8688 -0.4572 -0.4572 -0.2284 -0.2284 0.2404 0.2404 0.7223 0.7223 0.7516 0.7516 0.9852 0.9852 0.9928 0.9928 1.0863 1.0863 1.5074 1.5074 1.6615 1.6615 6.7888 6.7888 6.8971 6.8971 7.2035 7.2035 9.3054 9.3054 9.4476 9.4476 k = 0.2222 0.3849-0.0000 ( 5709 PWs) bands (ev): -17.6702 -17.6702 -17.6173 -17.6173 -15.7181 -15.7181 -15.5719 -15.5719 -15.4856 -15.4856 -15.4352 -15.4352 -6.0570 -6.0570 -5.8673 -5.8673 -3.6404 -3.6404 -3.3640 -3.3640 -2.9321 -2.9321 -2.7056 -2.7056 -2.5969 -2.5969 -2.3056 -2.3056 -0.8836 -0.8836 -0.8638 -0.8638 -0.4642 -0.4642 -0.1996 -0.1996 0.2218 0.2218 0.7513 0.7513 0.7617 0.7617 0.9767 0.9767 0.9902 0.9902 1.1020 1.1020 1.5171 1.5171 1.6932 1.6932 6.7725 6.7725 6.8876 6.8876 7.1961 7.1961 9.3075 9.3075 9.4529 9.4529 k = 0.2137 0.3701-0.0000 ( 5713 PWs) bands (ev): -17.6771 -17.6771 -17.6141 -17.6141 -15.7069 -15.7069 -15.5741 -15.5741 -15.4845 -15.4845 -15.4393 -15.4393 -6.0469 -6.0469 -5.8845 -5.8845 -3.6474 -3.6474 -3.3609 -3.3609 -2.9197 -2.9197 -2.7237 -2.7237 -2.6144 -2.6144 -2.3133 -2.3133 -0.8928 -0.8928 -0.8577 -0.8577 -0.4815 -0.4815 -0.1573 -0.1573 0.2052 0.2052 0.7705 0.7705 0.7818 0.7818 0.9654 0.9654 0.9893 0.9893 1.1184 1.1184 1.5271 1.5271 1.7249 1.7249 6.7571 6.7571 6.8763 6.8763 7.1862 7.1862 9.3108 9.3108 9.4586 9.4586 k = 0.2051 0.3553-0.0000 ( 5721 PWs) bands (ev): -17.6845 -17.6845 -17.6105 -17.6105 -15.6950 -15.6950 -15.5761 -15.5761 -15.4842 -15.4842 -15.4432 -15.4432 -6.0343 -6.0343 -5.9045 -5.9045 -3.6539 -3.6539 -3.3595 -3.3595 -2.9139 -2.9139 -2.7381 -2.7381 -2.6284 -2.6284 -2.3213 -2.3213 -0.9040 -0.9040 -0.8510 -0.8510 -0.5033 -0.5033 -0.1064 -0.1064 0.1905 0.1905 0.7811 0.7811 0.8099 0.8099 0.9529 0.9529 0.9891 0.9891 1.1352 1.1352 1.5376 1.5376 1.7566 1.7566 6.7424 6.7424 6.8630 6.8630 7.1741 7.1741 9.3151 9.3151 9.4644 9.4644 k = 0.1966 0.3405-0.0000 ( 5725 PWs) bands (ev): -17.6922 -17.6922 -17.6067 -17.6067 -15.6826 -15.6826 -15.5779 -15.5779 -15.4852 -15.4852 -15.4463 -15.4463 -6.0190 -6.0190 -5.9269 -5.9269 -3.6601 -3.6601 -3.3602 -3.3602 -2.9166 -2.9166 -2.7484 -2.7484 -2.6373 -2.6373 -2.3295 -2.3295 -0.9168 -0.9168 -0.8446 -0.8446 -0.5258 -0.5258 -0.0503 -0.0503 0.1777 0.1777 0.7918 0.7918 0.8357 0.8357 0.9409 0.9409 0.9893 0.9893 1.1521 1.1521 1.5485 1.5485 1.7880 1.7880 6.7286 6.7286 6.8478 6.8478 7.1598 7.1598 9.3202 9.3202 9.4704 9.4704 k = 0.1880 0.3257-0.0000 ( 5731 PWs) bands (ev): -17.7002 -17.7002 -17.6027 -17.6027 -15.6699 -15.6699 -15.5793 -15.5793 -15.4877 -15.4877 -15.4484 -15.4484 -6.0016 -6.0016 -5.9511 -5.9511 -3.6659 -3.6659 -3.3636 -3.3636 -2.9286 -2.9286 -2.7540 -2.7540 -2.6399 -2.6399 -2.3375 -2.3375 -0.9311 -0.9311 -0.8394 -0.8394 -0.5464 -0.5464 0.0092 0.0092 0.1668 0.1668 0.8031 0.8031 0.8545 0.8545 0.9336 0.9336 0.9899 0.9899 1.1689 1.1689 1.5600 1.5600 1.8189 1.8189 6.7155 6.7155 6.8307 6.8307 7.1432 7.1432 9.3258 9.3258 9.4762 9.4762 k = 0.1795 0.3109-0.0000 ( 5735 PWs) bands (ev): -17.7084 -17.7084 -17.5984 -17.5984 -15.6570 -15.6570 -15.5804 -15.5804 -15.4916 -15.4916 -15.4495 -15.4495 -5.9869 -5.9869 -5.9719 -5.9719 -3.6714 -3.6714 -3.3700 -3.3700 -2.9498 -2.9498 -2.7548 -2.7548 -2.6366 -2.6366 -2.3454 -2.3454 -0.9466 -0.9466 -0.8369 -0.8369 -0.5628 -0.5628 0.0710 0.0710 0.1577 0.1577 0.8149 0.8149 0.8581 0.8581 0.9390 0.9390 0.9909 0.9909 1.1851 1.1851 1.5720 1.5720 1.8494 1.8494 6.7032 6.7032 6.8117 6.8117 7.1245 7.1245 9.3319 9.3319 9.4819 9.4819 k = 0.1709 0.2961-0.0000 ( 5747 PWs) bands (ev): -17.7168 -17.7168 -17.5940 -17.5940 -15.6442 -15.6442 -15.5809 -15.5809 -15.4968 -15.4968 -15.4497 -15.4497 -6.0078 -6.0078 -5.9563 -5.9563 -3.6767 -3.6767 -3.3793 -3.3793 -2.9789 -2.9789 -2.7510 -2.7510 -2.6285 -2.6285 -2.3529 -2.3529 -0.9628 -0.9628 -0.8385 -0.8385 -0.5729 -0.5729 0.1336 0.1336 0.1509 0.1509 0.8270 0.8270 0.8466 0.8466 0.9569 0.9569 0.9923 0.9923 1.2006 1.2006 1.5847 1.5847 1.8792 1.8792 6.6913 6.6913 6.7911 6.7911 7.1036 7.1036 9.3382 9.3382 9.4872 9.4872 k = 0.1624 0.2813-0.0000 ( 5739 PWs) bands (ev): -17.7253 -17.7253 -17.5894 -17.5894 -15.6320 -15.6320 -15.5804 -15.5804 -15.5030 -15.5030 -15.4492 -15.4492 -6.0362 -6.0362 -5.9319 -5.9319 -3.6819 -3.6819 -3.3915 -3.3915 -3.0143 -3.0143 -2.7427 -2.7427 -2.6171 -2.6171 -2.3601 -2.3601 -0.9795 -0.9795 -0.8454 -0.8454 -0.5753 -0.5753 0.1434 0.1434 0.1991 0.1991 0.8259 0.8259 0.8407 0.8407 0.9798 0.9798 0.9944 0.9944 1.2152 1.2152 1.5981 1.5981 1.9084 1.9084 6.6798 6.6798 6.7692 6.7692 7.0806 7.0806 9.3446 9.3446 9.4919 9.4920 k = 0.1538 0.2665-0.0000 ( 5729 PWs) bands (ev): -17.7338 -17.7338 -17.5847 -17.5847 -15.6213 -15.6213 -15.5782 -15.5782 -15.5099 -15.5099 -15.4483 -15.4483 -6.0659 -6.0659 -5.9050 -5.9050 -3.6869 -3.6869 -3.4060 -3.4060 -3.0545 -3.0545 -2.7305 -2.7305 -2.6038 -2.6038 -2.3668 -2.3668 -0.9963 -0.9963 -0.8578 -0.8578 -0.5697 -0.5697 0.1387 0.1387 0.2634 0.2634 0.8025 0.8025 0.8536 0.8536 0.9950 0.9950 1.0057 1.0057 1.2285 1.2285 1.6122 1.6122 1.9367 1.9367 6.6683 6.6683 6.7467 6.7467 7.0557 7.0557 9.3512 9.3512 9.4960 9.4960 k = 0.1453 0.2517-0.0000 ( 5725 PWs) bands (ev): -17.7423 -17.7423 -17.5799 -17.5799 -15.6132 -15.6132 -15.5734 -15.5734 -15.5172 -15.5172 -15.4472 -15.4472 -6.0960 -6.0960 -5.8761 -5.8761 -3.6918 -3.6918 -3.4223 -3.4223 -3.0985 -3.0985 -2.7150 -2.7150 -2.5894 -2.5894 -2.3731 -2.3731 -1.0129 -1.0129 -0.8748 -0.8748 -0.5567 -0.5567 0.1350 0.1350 0.3275 0.3275 0.7762 0.7762 0.8670 0.8670 0.9981 0.9981 1.0292 1.0292 1.2404 1.2404 1.6271 1.6271 1.9642 1.9642 6.6561 6.6561 6.7245 6.7245 7.0288 7.0288 9.3578 9.3578 9.4990 9.4990 k = 0.1368 0.2369-0.0000 ( 5737 PWs) bands (ev): -17.7507 -17.7507 -17.5750 -17.5750 -15.6082 -15.6082 -15.5655 -15.5655 -15.5248 -15.5248 -15.4459 -15.4459 -6.1262 -6.1262 -5.8456 -5.8456 -3.6967 -3.6967 -3.4401 -3.4401 -3.1453 -3.1453 -2.6968 -2.6968 -2.5746 -2.5746 -2.3789 -2.3789 -1.0292 -1.0292 -0.8952 -0.8952 -0.5375 -0.5375 0.1323 0.1323 0.3906 0.3906 0.7481 0.7481 0.8806 0.8806 1.0012 1.0012 1.0521 1.0521 1.2508 1.2508 1.6428 1.6428 1.9908 1.9908 6.6420 6.6420 6.7039 6.7039 7.0004 7.0004 9.3647 9.3647 9.4998 9.4998 k = 0.1282 0.2221-0.0000 ( 5739 PWs) bands (ev): -17.7589 -17.7589 -17.5702 -17.5702 -15.6057 -15.6057 -15.5554 -15.5554 -15.5322 -15.5322 -15.4445 -15.4445 -6.1563 -6.1563 -5.8134 -5.8134 -3.7014 -3.7014 -3.4586 -3.4586 -3.1942 -3.1942 -2.6767 -2.6767 -2.5600 -2.5600 -2.3841 -2.3841 -1.0448 -1.0448 -0.9178 -0.9178 -0.5134 -0.5134 0.1306 0.1306 0.4518 0.4518 0.7190 0.7190 0.8943 0.8943 1.0047 1.0047 1.0738 1.0738 1.2594 1.2594 1.6593 1.6593 2.0164 2.0164 6.6247 6.6247 6.6864 6.6864 6.9705 6.9705 9.3717 9.3717 9.4941 9.4941 k = 0.1197 0.2073-0.0000 ( 5739 PWs) bands (ev): -17.7669 -17.7669 -17.5653 -17.5653 -15.6048 -15.6048 -15.5465 -15.5465 -15.5373 -15.5373 -15.4431 -15.4431 -6.1858 -6.1858 -5.7801 -5.7801 -3.7060 -3.7060 -3.4775 -3.4775 -3.2445 -3.2445 -2.6554 -2.6554 -2.5457 -2.5457 -2.3889 -2.3889 -1.0597 -1.0597 -0.9416 -0.9416 -0.4853 -0.4853 0.1296 0.1296 0.5092 0.5092 0.6906 0.6906 0.9079 0.9079 1.0088 1.0088 1.0939 1.0939 1.2661 1.2661 1.6765 1.6765 2.0409 2.0409 6.6038 6.6038 6.6730 6.6730 6.9396 6.9396 9.3792 9.3792 9.4790 9.4790 k = 0.1111 0.1925-0.0000 ( 5735 PWs) bands (ev): -17.7746 -17.7746 -17.5606 -17.5606 -15.6046 -15.6046 -15.5499 -15.5499 -15.5295 -15.5295 -15.4417 -15.4417 -6.2145 -6.2145 -5.7458 -5.7458 -3.7105 -3.7105 -3.4963 -3.4963 -3.2955 -3.2955 -2.6334 -2.6334 -2.5320 -2.5320 -2.3931 -2.3931 -1.0737 -1.0737 -0.9658 -0.9658 -0.4540 -0.4540 0.1294 0.1294 0.5570 0.5570 0.6683 0.6683 0.9212 0.9212 1.0134 1.0134 1.1124 1.1124 1.2710 1.2710 1.6942 1.6942 2.0642 2.0642 6.5799 6.5799 6.6630 6.6630 6.9079 6.9079 9.3871 9.3871 9.4608 9.4609 k = 0.1026 0.1776-0.0000 ( 5731 PWs) bands (ev): -17.7820 -17.7820 -17.5560 -17.5560 -15.6048 -15.6048 -15.5570 -15.5570 -15.5179 -15.5179 -15.4402 -15.4402 -6.2422 -6.2422 -5.7108 -5.7108 -3.7149 -3.7149 -3.5146 -3.5146 -3.3468 -3.3468 -2.6114 -2.6114 -2.5189 -2.5189 -2.3967 -2.3967 -1.0866 -1.0866 -0.9898 -0.9898 -0.4200 -0.4200 0.1296 0.1296 0.5743 0.5743 0.6727 0.6727 0.9343 0.9343 1.0188 1.0188 1.1292 1.1292 1.2738 1.2738 1.7125 1.7125 2.0863 2.0863 6.5544 6.5544 6.6554 6.6554 6.8761 6.8761 9.3957 9.3957 9.4427 9.4427 k = 0.0940 0.1628-0.0000 ( 5737 PWs) bands (ev): -17.7889 -17.7889 -17.5515 -17.5515 -15.6053 -15.6053 -15.5642 -15.5642 -15.5064 -15.5064 -15.4389 -15.4389 -6.2686 -6.2686 -5.6756 -5.6756 -3.7191 -3.7191 -3.5323 -3.5323 -3.3976 -3.3976 -2.5900 -2.5900 -2.5065 -2.5065 -2.3998 -2.3998 -1.0985 -1.0985 -1.0132 -1.0132 -0.3839 -0.3839 0.1304 0.1304 0.5547 0.5547 0.7099 0.7099 0.9468 0.9468 1.0248 1.0248 1.1442 1.1442 1.2748 1.2748 1.7310 1.7310 2.1070 2.1070 6.5283 6.5283 6.6494 6.6494 6.8445 6.8445 9.4049 9.4049 9.4253 9.4253 k = 0.0855 0.1480-0.0000 ( 5729 PWs) bands (ev): -17.7955 -17.7955 -17.5473 -17.5473 -15.6058 -15.6058 -15.5711 -15.5711 -15.4954 -15.4954 -15.4375 -15.4375 -6.2934 -6.2934 -5.6406 -5.6406 -3.7232 -3.7232 -3.5489 -3.5489 -3.4475 -3.4475 -2.5697 -2.5697 -2.4947 -2.4947 -2.4022 -2.4022 -1.1093 -1.1093 -1.0357 -1.0357 -0.3459 -0.3459 0.1315 0.1315 0.5221 0.5221 0.7556 0.7556 0.9586 0.9586 1.0317 1.0317 1.1575 1.1575 1.2739 1.2739 1.7496 1.7496 2.1264 2.1264 6.5024 6.5024 6.6445 6.6445 6.8136 6.8136 9.4087 9.4087 9.4152 9.4152 k = 0.0769 0.1332-0.0000 ( 5735 PWs) bands (ev): -17.8015 -17.8015 -17.5433 -17.5433 -15.6064 -15.6064 -15.5776 -15.5776 -15.4851 -15.4851 -15.4361 -15.4361 -6.3165 -6.3165 -5.6062 -5.6062 -3.7271 -3.7271 -3.5645 -3.5645 -3.4957 -3.4957 -2.5512 -2.5512 -2.4833 -2.4833 -2.4039 -2.4039 -1.1190 -1.1190 -1.0569 -1.0569 -0.3063 -0.3063 0.1329 0.1329 0.4853 0.4853 0.8008 0.8008 0.9695 0.9695 1.0395 1.0395 1.1692 1.1692 1.2711 1.2711 1.7679 1.7679 2.1442 2.1442 6.4771 6.4771 6.6405 6.6405 6.7841 6.7841 9.3938 9.3938 9.4257 9.4257 k = 0.0684 0.1184-0.0000 ( 5743 PWs) bands (ev): -17.8070 -17.8070 -17.5396 -17.5396 -15.6070 -15.6070 -15.5836 -15.5836 -15.4758 -15.4758 -15.4347 -15.4347 -6.3377 -6.3377 -5.5729 -5.5729 -3.7308 -3.7308 -3.5789 -3.5789 -3.5414 -3.5414 -2.5350 -2.5350 -2.4723 -2.4723 -2.4050 -2.4050 -1.1276 -1.1276 -1.0767 -1.0767 -0.2655 -0.2655 0.1344 0.1344 0.4463 0.4463 0.8432 0.8432 0.9795 0.9795 1.0481 1.0481 1.1792 1.1792 1.2667 1.2667 1.7856 1.7856 2.1604 2.1604 6.4531 6.4531 6.6369 6.6369 6.7564 6.7564 9.3802 9.3802 9.4370 9.4370 k = 0.0598 0.1036-0.0000 ( 5739 PWs) bands (ev): -17.8120 -17.8120 -17.5362 -17.5362 -15.6076 -15.6076 -15.5891 -15.5891 -15.4676 -15.4676 -15.4331 -15.4331 -6.3568 -6.3568 -5.5413 -5.5413 -3.7342 -3.7342 -3.5942 -3.5942 -3.5817 -3.5817 -2.5214 -2.5214 -2.4617 -2.4617 -2.4053 -2.4053 -1.1352 -1.1352 -1.0947 -1.0947 -0.2236 -0.2236 0.1360 0.1360 0.4060 0.4060 0.8817 0.8817 0.9883 0.9883 1.0577 1.0577 1.1877 1.1877 1.2608 1.2608 1.8025 1.8025 2.1750 2.1750 6.4307 6.4307 6.6338 6.6338 6.7312 6.7312 9.3681 9.3681 9.4488 9.4488 k = 0.0513 0.0888-0.0000 ( 5743 PWs) bands (ev): -17.8163 -17.8163 -17.5332 -17.5332 -15.6082 -15.6082 -15.5939 -15.5939 -15.4606 -15.4606 -15.4315 -15.4315 -6.3737 -6.3737 -5.5121 -5.5121 -3.7374 -3.7374 -3.6262 -3.6262 -3.6002 -3.6002 -2.5106 -2.5106 -2.4518 -2.4518 -2.4047 -2.4047 -1.1416 -1.1416 -1.1108 -1.1108 -0.1809 -0.1809 0.1375 0.1375 0.3646 0.3646 0.9159 0.9159 0.9959 0.9959 1.0681 1.0681 1.1948 1.1948 1.2537 1.2537 1.8180 1.8180 2.1878 2.1878 6.4103 6.4103 6.6307 6.6307 6.7090 6.7090 9.3574 9.3574 9.4608 9.4608 k = 0.0427 0.0740-0.0000 ( 5751 PWs) bands (ev): -17.8201 -17.8201 -17.5307 -17.5307 -15.6088 -15.6088 -15.5979 -15.5979 -15.4549 -15.4549 -15.4297 -15.4297 -6.3881 -6.3881 -5.4858 -5.4858 -3.7402 -3.7402 -3.6606 -3.6606 -3.6101 -3.6101 -2.5023 -2.5023 -2.4430 -2.4430 -2.4031 -2.4031 -1.1471 -1.1471 -1.1248 -1.1248 -0.1377 -0.1377 0.1389 0.1389 0.3226 0.3226 0.9452 0.9452 1.0024 1.0024 1.0789 1.0789 1.2005 1.2005 1.2457 1.2457 1.8320 1.8320 2.1987 2.1987 6.3923 6.3923 6.6274 6.6274 6.6903 6.6903 9.3483 9.3483 9.4724 9.4724 k = 0.0342 0.0592-0.0000 ( 5747 PWs) bands (ev): -17.8232 -17.8232 -17.5285 -17.5285 -15.6095 -15.6095 -15.6011 -15.6011 -15.4506 -15.4506 -15.4279 -15.4279 -6.4001 -6.4001 -5.4631 -5.4631 -3.7427 -3.7427 -3.6903 -3.6903 -3.6180 -3.6180 -2.4962 -2.4962 -2.4360 -2.4360 -2.4007 -2.4007 -1.1516 -1.1516 -1.1363 -1.1363 -0.0943 -0.0943 0.1402 0.1402 0.2803 0.2803 0.9693 0.9693 1.0078 1.0078 1.0898 1.0898 1.2049 1.2049 1.2372 1.2372 1.8440 1.8440 2.2078 2.2078 6.3770 6.3770 6.6238 6.6238 6.6756 6.6756 9.3408 9.3408 9.4830 9.4830 k = 0.0256 0.0444-0.0000 ( 5745 PWs) bands (ev): -17.8256 -17.8256 -17.5268 -17.5268 -15.6103 -15.6103 -15.6034 -15.6034 -15.4476 -15.4476 -15.4260 -15.4260 -6.4096 -6.4096 -5.4447 -5.4447 -3.7448 -3.7448 -3.7141 -3.7141 -3.6240 -3.6240 -2.4920 -2.4920 -2.4310 -2.4310 -2.3977 -2.3977 -1.1553 -1.1553 -1.1453 -1.1453 -0.0513 -0.0513 0.1411 0.1411 0.2381 0.2381 0.9878 0.9878 1.0126 1.0126 1.1001 1.1001 1.2079 1.2079 1.2291 1.2291 1.8536 1.8536 2.2149 2.2149 6.3647 6.3647 6.6200 6.6200 6.6651 6.6651 9.3349 9.3349 9.4916 9.4916 k = 0.0171 0.0296-0.0000 ( 5749 PWs) bands (ev): -17.8273 -17.8273 -17.5256 -17.5256 -15.6110 -15.6110 -15.6049 -15.6049 -15.4456 -15.4456 -15.4245 -15.4245 -6.4163 -6.4163 -5.4311 -5.4311 -3.7468 -3.7468 -3.7312 -3.7312 -3.6282 -3.6282 -2.4892 -2.4892 -2.4278 -2.4278 -2.3949 -2.3949 -1.1582 -1.1582 -1.1515 -1.1515 -0.0097 -0.0097 0.1416 0.1416 0.1975 0.1975 1.0001 1.0001 1.0170 1.0170 1.1090 1.1090 1.2093 1.2093 1.2224 1.2224 1.8608 1.8608 2.2200 2.2200 6.3557 6.3557 6.6162 6.6162 6.6584 6.6584 9.3307 9.3307 9.4975 9.4975 k = 0.0085 0.0148-0.0000 ( 5747 PWs) bands (ev): -17.8284 -17.8284 -17.5248 -17.5248 -15.6116 -15.6116 -15.6056 -15.6056 -15.4446 -15.4446 -15.4235 -15.4235 -6.4204 -6.4204 -5.4227 -5.4227 -3.7493 -3.7493 -3.7405 -3.7405 -3.6308 -3.6308 -2.4876 -2.4876 -2.4260 -2.4260 -2.3929 -2.3929 -1.1604 -1.1604 -1.1548 -1.1548 0.0268 0.0268 0.1408 0.1408 0.1627 0.1627 1.0063 1.0063 1.0208 1.0208 1.1152 1.1152 1.2090 1.2090 1.2187 1.2187 1.8651 1.8651 2.2231 2.2231 6.3502 6.3502 6.6135 6.6135 6.6548 6.6548 9.3282 9.3282 9.5006 9.5020 k = 0.0000 0.0000 0.0000 ( 5747 PWs) bands (ev): -17.8287 -17.8287 -17.5246 -17.5246 -15.6119 -15.6119 -15.6059 -15.6059 -15.4442 -15.4442 -15.4231 -15.4231 -6.4218 -6.4218 -5.4199 -5.4199 -3.7509 -3.7509 -3.7428 -3.7428 -3.6316 -3.6316 -2.4870 -2.4870 -2.4255 -2.4255 -2.3921 -2.3921 -1.1613 -1.1613 -1.1558 -1.1558 0.0447 0.0447 0.1362 0.1362 0.1496 0.1496 1.0080 1.0080 1.0224 1.0224 1.1175 1.1175 1.2083 1.2083 1.2178 1.2178 1.8666 1.8666 2.2241 2.2241 6.3484 6.3484 6.6125 6.6125 6.6537 6.6537 9.3273 9.3273 9.5019 9.5030 k = 0.0000 0.0000 0.0000 ( 5747 PWs) bands (ev): -17.8287 -17.8287 -17.5246 -17.5246 -15.6119 -15.6119 -15.6059 -15.6059 -15.4442 -15.4442 -15.4231 -15.4231 -6.4218 -6.4218 -5.4199 -5.4199 -3.7509 -3.7509 -3.7428 -3.7428 -3.6316 -3.6316 -2.4870 -2.4870 -2.4255 -2.4255 -2.3921 -2.3921 -1.1613 -1.1613 -1.1558 -1.1558 0.0447 0.0447 0.1362 0.1362 0.1496 0.1496 1.0080 1.0080 1.0224 1.0224 1.1175 1.1175 1.2083 1.2083 1.2178 1.2178 1.8666 1.8666 2.2241 2.2241 6.3484 6.3484 6.6125 6.6125 6.6537 6.6537 9.3273 9.3273 9.5014 9.5014 k = 0.0000 0.0000 0.0167 ( 5747 PWs) bands (ev): -17.8286 -17.8286 -17.5247 -17.5247 -15.6119 -15.6119 -15.6059 -15.6059 -15.4442 -15.4442 -15.4231 -15.4231 -6.4216 -6.4216 -5.4202 -5.4202 -3.7507 -3.7507 -3.7426 -3.7426 -3.6312 -3.6312 -2.4877 -2.4877 -2.4262 -2.4262 -2.3925 -2.3925 -1.1617 -1.1617 -1.1561 -1.1561 0.0450 0.0450 0.1367 0.1367 0.1501 0.1501 1.0078 1.0078 1.0220 1.0220 1.1185 1.1185 1.2089 1.2089 1.2183 1.2183 1.8667 1.8667 2.2240 2.2240 6.3486 6.3486 6.6126 6.6126 6.6538 6.6538 9.3240 9.3240 9.5017 9.5017 k = 0.0000 0.0000 0.0335 ( 5747 PWs) bands (ev): -17.8281 -17.8281 -17.5252 -17.5252 -15.6120 -15.6120 -15.6060 -15.6060 -15.4441 -15.4441 -15.4230 -15.4230 -6.4210 -6.4210 -5.4212 -5.4212 -3.7501 -3.7501 -3.7420 -3.7420 -3.6297 -3.6297 -2.4896 -2.4896 -2.4283 -2.4283 -2.3938 -2.3938 -1.1627 -1.1627 -1.1572 -1.1572 0.0456 0.0456 0.1382 0.1382 0.1517 0.1517 1.0069 1.0069 1.0211 1.0211 1.1217 1.1217 1.2105 1.2105 1.2201 1.2201 1.8670 1.8670 2.2236 2.2236 6.3490 6.3490 6.6130 6.6130 6.6543 6.6543 9.3141 9.3141 9.5027 9.5032 k = 0.0000 0.0000 0.0502 ( 5735 PWs) bands (ev): -17.8273 -17.8273 -17.5260 -17.5260 -15.6122 -15.6122 -15.6062 -15.6062 -15.4439 -15.4439 -15.4228 -15.4228 -6.4199 -6.4199 -5.4228 -5.4228 -3.7491 -3.7491 -3.7410 -3.7410 -3.6272 -3.6272 -2.4928 -2.4928 -2.4318 -2.4318 -2.3958 -2.3958 -1.1645 -1.1645 -1.1589 -1.1589 0.0468 0.0468 0.1407 0.1407 0.1543 0.1543 1.0056 1.0056 1.0195 1.0195 1.1270 1.1270 1.2133 1.2133 1.2229 1.2229 1.8676 1.8676 2.2230 2.2230 6.3498 6.3498 6.6136 6.6136 6.6550 6.6550 9.2980 9.2980 9.5043 9.5059 k = 0.0000 0.0000 0.0670 ( 5723 PWs) bands (ev): -17.8262 -17.8262 -17.5272 -17.5272 -15.6124 -15.6124 -15.6064 -15.6064 -15.4437 -15.4437 -15.4226 -15.4226 -6.4185 -6.4185 -5.4250 -5.4250 -3.7477 -3.7477 -3.7395 -3.7395 -3.6238 -3.6238 -2.4974 -2.4974 -2.4365 -2.4365 -2.3985 -2.3985 -1.1670 -1.1670 -1.1614 -1.1614 0.0483 0.0483 0.1441 0.1441 0.1579 0.1579 1.0038 1.0038 1.0175 1.0175 1.1343 1.1343 1.2169 1.2169 1.2266 1.2266 1.8684 1.8684 2.2221 2.2221 6.3509 6.3509 6.6145 6.6145 6.6560 6.6560 9.2762 9.2762 9.5088 9.5189 k = 0.0000 0.0000 0.0837 ( 5723 PWs) bands (ev): -17.8248 -17.8248 -17.5287 -17.5287 -15.6127 -15.6127 -15.6067 -15.6067 -15.4434 -15.4434 -15.4223 -15.4223 -6.4166 -6.4166 -5.4278 -5.4278 -3.7459 -3.7459 -3.7377 -3.7377 -3.6195 -3.6195 -2.5034 -2.5034 -2.4424 -2.4424 -2.4021 -2.4021 -1.1700 -1.1700 -1.1644 -1.1644 0.0502 0.0502 0.1484 0.1484 0.1624 0.1624 1.0017 1.0017 1.0151 1.0151 1.1436 1.1436 1.2214 1.2214 1.2313 1.2313 1.8694 1.8694 2.2211 2.2211 6.3522 6.3522 6.6156 6.6156 6.6573 6.6573 9.2493 9.2493 9.5108 9.5169 k = 0.0000 0.0000 0.1005 ( 5729 PWs) bands (ev): -17.8231 -17.8231 -17.5305 -17.5305 -15.6130 -15.6130 -15.6070 -15.6070 -15.4430 -15.4430 -15.4219 -15.4219 -6.4144 -6.4144 -5.4312 -5.4312 -3.7437 -3.7437 -3.7356 -3.7356 -3.6142 -3.6142 -2.5108 -2.5108 -2.4491 -2.4491 -2.4063 -2.4063 -1.1737 -1.1737 -1.1680 -1.1680 0.0524 0.0524 0.1535 0.1535 0.1677 0.1677 0.9994 0.9994 1.0125 1.0125 1.1548 1.1548 1.2266 1.2266 1.2366 1.2366 1.8706 1.8706 2.2198 2.2198 6.3537 6.3537 6.6169 6.6169 6.6588 6.6588 9.2180 9.2180 9.5150 9.5223 k = 0.0000 0.0000 0.1172 ( 5735 PWs) bands (ev): -17.8211 -17.8211 -17.5325 -17.5325 -15.6134 -15.6134 -15.6074 -15.6074 -15.4426 -15.4426 -15.4215 -15.4215 -6.4118 -6.4118 -5.4351 -5.4351 -3.7412 -3.7412 -3.7331 -3.7331 -3.6080 -3.6080 -2.5197 -2.5197 -2.4566 -2.4566 -2.4112 -2.4112 -1.1779 -1.1779 -1.1721 -1.1721 0.0549 0.0549 0.1594 0.1594 0.1738 0.1738 0.9970 0.9970 1.0097 1.0097 1.1678 1.1678 1.2324 1.2324 1.2425 1.2425 1.8719 1.8719 2.2183 2.2183 6.3555 6.3555 6.6184 6.6184 6.6606 6.6606 9.1832 9.1832 9.5164 9.5164 k = 0.0000 0.0000 0.1340 ( 5712 PWs) bands (ev): -17.8189 -17.8189 -17.5349 -17.5349 -15.6139 -15.6139 -15.6079 -15.6079 -15.4421 -15.4421 -15.4210 -15.4210 -6.4089 -6.4089 -5.4396 -5.4396 -3.7383 -3.7383 -3.7302 -3.7302 -3.6009 -3.6009 -2.5302 -2.5302 -2.4646 -2.4646 -2.4167 -2.4167 -1.1826 -1.1826 -1.1767 -1.1767 0.0577 0.0577 0.1659 0.1659 0.1806 0.1806 0.9946 0.9946 1.0069 1.0069 1.1824 1.1824 1.2386 1.2386 1.2488 1.2488 1.8735 1.8735 2.2166 2.2166 6.3574 6.3574 6.6202 6.6202 6.6626 6.6626 9.1457 9.1457 9.5215 9.5353 k = 0.0000 0.0000 0.1507 ( 5724 PWs) bands (ev): -17.8164 -17.8164 -17.5376 -17.5376 -15.6144 -15.6144 -15.6083 -15.6083 -15.4416 -15.4416 -15.4205 -15.4205 -6.4056 -6.4056 -5.4445 -5.4445 -3.7352 -3.7352 -3.7271 -3.7271 -3.5930 -3.5930 -2.5422 -2.5422 -2.4730 -2.4730 -2.4227 -2.4227 -1.1876 -1.1876 -1.1817 -1.1817 0.0606 0.0606 0.1729 0.1729 0.1880 0.1880 0.9922 0.9922 1.0042 1.0042 1.1984 1.1984 1.2450 1.2450 1.2554 1.2554 1.8752 1.8752 2.2147 2.2147 6.3593 6.3593 6.6221 6.6221 6.6648 6.6648 9.1061 9.1061 9.5268 9.5305 k = 0.0000 0.0000 0.1674 ( 5724 PWs) bands (ev): -17.8136 -17.8136 -17.5405 -17.5405 -15.6149 -15.6149 -15.6089 -15.6089 -15.4411 -15.4411 -15.4200 -15.4200 -6.4021 -6.4021 -5.4498 -5.4498 -3.7318 -3.7318 -3.7237 -3.7237 -3.5843 -3.5843 -2.5556 -2.5556 -2.4816 -2.4816 -2.4292 -2.4292 -1.1930 -1.1930 -1.1870 -1.1870 0.0637 0.0637 0.1804 0.1804 0.1959 0.1959 0.9900 0.9900 1.0016 1.0016 1.2158 1.2158 1.2517 1.2517 1.2621 1.2621 1.8771 1.8771 2.2126 2.2126 6.3614 6.3614 6.6242 6.6242 6.6672 6.6672 9.0652 9.0652 9.5322 9.5358 k = 0.0000 0.0000 0.1842 ( 5724 PWs) bands (ev): -17.8106 -17.8106 -17.5436 -17.5436 -15.6154 -15.6154 -15.6094 -15.6094 -15.4405 -15.4405 -15.4194 -15.4194 -6.3983 -6.3983 -5.4556 -5.4556 -3.7282 -3.7282 -3.7201 -3.7201 -3.5748 -3.5748 -2.5703 -2.5703 -2.4903 -2.4903 -2.4361 -2.4361 -1.1987 -1.1987 -1.1926 -1.1926 0.0669 0.0669 0.1883 0.1883 0.2041 0.2041 0.9881 0.9881 0.9992 0.9992 1.2342 1.2342 1.2584 1.2584 1.2690 1.2690 1.8791 1.8791 2.2104 2.2104 6.3634 6.3634 6.6264 6.6264 6.6698 6.6698 9.0236 9.0236 9.5388 9.5405 k = 0.0000 0.0000 0.2009 ( 5706 PWs) bands (ev): -17.8074 -17.8074 -17.5469 -17.5469 -15.6160 -15.6160 -15.6100 -15.6100 -15.4399 -15.4399 -15.4188 -15.4188 -6.3943 -6.3943 -5.4616 -5.4616 -3.7244 -3.7244 -3.7163 -3.7163 -3.5647 -3.5647 -2.5862 -2.5862 -2.4991 -2.4991 -2.4433 -2.4433 -1.2046 -1.2046 -1.1984 -1.1984 0.0702 0.0702 0.1964 0.1964 0.2125 0.2125 0.9864 0.9864 0.9971 0.9971 1.2534 1.2534 1.2652 1.2652 1.2757 1.2757 1.8813 1.8813 2.2081 2.2081 6.3655 6.3655 6.6287 6.6287 6.6725 6.6725 8.9821 8.9821 9.5461 9.5472 k = 0.0000 0.0000 0.2177 ( 5718 PWs) bands (ev): -17.8041 -17.8041 -17.5505 -17.5505 -15.6166 -15.6166 -15.6106 -15.6106 -15.4393 -15.4393 -15.4182 -15.4182 -6.3901 -6.3901 -5.4679 -5.4679 -3.7204 -3.7204 -3.7123 -3.7123 -3.5539 -3.5539 -2.6031 -2.6031 -2.5079 -2.5079 -2.4508 -2.4508 -1.2105 -1.2105 -1.2043 -1.2043 0.0735 0.0735 0.2046 0.2046 0.2211 0.2211 0.9850 0.9850 0.9953 0.9953 1.2707 1.2707 1.2745 1.2745 1.2824 1.2824 1.8835 1.8835 2.2057 2.2057 6.3674 6.3674 6.6311 6.6311 6.6753 6.6753 8.9410 8.9410 9.5540 9.5551 k = 0.0000 0.0000 0.2344 ( 5730 PWs) bands (ev): -17.8005 -17.8005 -17.5542 -17.5542 -15.6172 -15.6172 -15.6111 -15.6111 -15.4387 -15.4387 -15.4176 -15.4176 -6.3857 -6.3857 -5.4743 -5.4743 -3.7163 -3.7163 -3.7082 -3.7082 -3.5425 -3.5425 -2.6209 -2.6209 -2.5166 -2.5166 -2.4584 -2.4584 -1.2166 -1.2166 -1.2102 -1.2102 0.0767 0.0767 0.2128 0.2128 0.2298 0.2298 0.9839 0.9839 0.9939 0.9939 1.2778 1.2778 1.2889 1.2889 1.2942 1.2942 1.8858 1.8858 2.2032 2.2032 6.3692 6.3692 6.6337 6.6337 6.6782 6.6782 8.9009 8.9009 9.5646 9.5655 k = 0.0000 0.0000 0.2512 ( 5730 PWs) bands (ev): -17.7968 -17.7968 -17.5580 -17.5580 -15.6177 -15.6177 -15.6117 -15.6117 -15.4381 -15.4381 -15.4170 -15.4170 -6.3813 -6.3813 -5.4809 -5.4809 -3.7121 -3.7121 -3.7041 -3.7041 -3.5306 -3.5306 -2.6392 -2.6392 -2.5252 -2.5252 -2.4661 -2.4661 -1.2226 -1.2226 -1.2162 -1.2162 0.0799 0.0799 0.2210 0.2210 0.2383 0.2383 0.9831 0.9831 0.9927 0.9927 1.2840 1.2840 1.2951 1.2951 1.3148 1.3148 1.8882 1.8882 2.2006 2.2006 6.3709 6.3709 6.6362 6.6362 6.6811 6.6811 8.8622 8.8622 9.5707 9.5710 k = 0.0000 0.0000 0.2679 ( 5724 PWs) bands (ev): -17.7931 -17.7931 -17.5620 -17.5620 -15.6183 -15.6183 -15.6123 -15.6123 -15.4375 -15.4375 -15.4164 -15.4164 -6.3768 -6.3768 -5.4876 -5.4876 -3.7080 -3.7080 -3.6999 -3.6999 -3.5184 -3.5184 -2.6579 -2.6579 -2.5337 -2.5337 -2.4738 -2.4738 -1.2285 -1.2285 -1.2220 -1.2220 0.0829 0.0829 0.2289 0.2289 0.2467 0.2467 0.9827 0.9827 0.9919 0.9919 1.2898 1.2898 1.3010 1.3010 1.3353 1.3353 1.8906 1.8906 2.1980 2.1980 6.3724 6.3724 6.6388 6.6388 6.6841 6.6841 8.8252 8.8252 9.5801 9.5803 k = 0.0000 0.0000 0.2846 ( 5724 PWs) bands (ev): -17.7892 -17.7892 -17.5660 -17.5660 -15.6189 -15.6189 -15.6129 -15.6129 -15.4369 -15.4369 -15.4158 -15.4158 -6.3723 -6.3723 -5.4941 -5.4941 -3.7038 -3.7038 -3.6958 -3.6958 -3.5059 -3.5059 -2.6768 -2.6768 -2.5419 -2.5419 -2.4814 -2.4814 -1.2342 -1.2342 -1.2277 -1.2277 0.0859 0.0859 0.2367 0.2367 0.2548 0.2548 0.9825 0.9825 0.9914 0.9914 1.2953 1.2953 1.3066 1.3066 1.3556 1.3556 1.8930 1.8930 2.1954 2.1954 6.3737 6.3737 6.6413 6.6413 6.6870 6.6870 8.7902 8.7902 9.5896 9.5897 k = 0.0000 0.0000 0.3014 ( 5736 PWs) bands (ev): -17.7854 -17.7854 -17.5700 -17.5700 -15.6194 -15.6194 -15.6134 -15.6134 -15.4363 -15.4363 -15.4152 -15.4152 -6.3679 -6.3679 -5.5006 -5.5006 -3.6997 -3.6997 -3.6917 -3.6917 -3.4932 -3.4932 -2.6956 -2.6956 -2.5498 -2.5498 -2.4888 -2.4888 -1.2397 -1.2397 -1.2331 -1.2331 0.0887 0.0887 0.2440 0.2440 0.2625 0.2625 0.9827 0.9827 0.9912 0.9912 1.3004 1.3004 1.3117 1.3117 1.3753 1.3753 1.8954 1.8954 2.1929 2.1929 6.3747 6.3747 6.6438 6.6438 6.6898 6.6898 8.7575 8.7575 9.5970 9.5995 k = 0.0000 0.0000 0.3181 ( 5748 PWs) bands (ev): -17.7815 -17.7815 -17.5740 -17.5740 -15.6199 -15.6199 -15.6140 -15.6140 -15.4358 -15.4358 -15.4147 -15.4147 -6.3636 -6.3636 -5.5069 -5.5069 -3.6958 -3.6958 -3.6878 -3.6878 -3.4806 -3.4806 -2.7141 -2.7141 -2.5573 -2.5573 -2.4959 -2.4959 -1.2450 -1.2450 -1.2383 -1.2383 0.0913 0.0913 0.2510 0.2510 0.2698 0.2698 0.9830 0.9830 0.9913 0.9913 1.3051 1.3051 1.3165 1.3165 1.3943 1.3943 1.8977 1.8977 2.1904 2.1904 6.3756 6.3756 6.6462 6.6462 6.6926 6.6926 8.7272 8.7272 9.6062 9.6105 k = 0.0000 0.0000 0.3349 ( 5748 PWs) bands (ev): -17.7778 -17.7778 -17.5779 -17.5779 -15.6204 -15.6204 -15.6144 -15.6144 -15.4352 -15.4352 -15.4141 -15.4141 -6.3595 -6.3595 -5.5129 -5.5129 -3.6920 -3.6920 -3.6841 -3.6841 -3.4681 -3.4681 -2.7321 -2.7321 -2.5644 -2.5644 -2.5026 -2.5026 -1.2499 -1.2499 -1.2431 -1.2431 0.0937 0.0937 0.2575 0.2575 0.2766 0.2766 0.9836 0.9836 0.9915 0.9915 1.3094 1.3094 1.3208 1.3208 1.4122 1.4122 1.8999 1.8999 2.1881 2.1881 6.3763 6.3763 6.6485 6.6485 6.6952 6.6952 8.6996 8.6996 9.6126 9.6200 k = 0.0000 0.0000 0.3516 ( 5748 PWs) bands (ev): -17.7742 -17.7742 -17.5816 -17.5816 -15.6209 -15.6209 -15.6149 -15.6149 -15.4348 -15.4348 -15.4137 -15.4137 -6.3556 -6.3556 -5.5185 -5.5185 -3.6885 -3.6885 -3.6806 -3.6806 -3.4560 -3.4560 -2.7494 -2.7494 -2.5710 -2.5710 -2.5089 -2.5089 -1.2544 -1.2544 -1.2476 -1.2476 0.0959 0.0959 0.2634 0.2634 0.2829 0.2829 0.9843 0.9843 0.9919 0.9919 1.3132 1.3132 1.3246 1.3246 1.4289 1.4289 1.9019 1.9019 2.1858 2.1858 6.3768 6.3768 6.6507 6.6507 6.6977 6.6977 8.6747 8.6747 9.6272 9.6304 k = 0.0000 0.0000 0.3684 ( 5754 PWs) bands (ev): -17.7707 -17.7707 -17.5852 -17.5852 -15.6213 -15.6213 -15.6153 -15.6153 -15.4343 -15.4343 -15.4132 -15.4132 -6.3520 -6.3520 -5.5237 -5.5237 -3.6853 -3.6853 -3.6774 -3.6774 -3.4445 -3.4445 -2.7656 -2.7656 -2.5769 -2.5769 -2.5146 -2.5146 -1.2585 -1.2585 -1.2517 -1.2517 0.0979 0.0979 0.2687 0.2687 0.2885 0.2885 0.9851 0.9851 0.9925 0.9925 1.3165 1.3165 1.3280 1.3280 1.4442 1.4442 1.9039 1.9039 2.1838 2.1838 6.3771 6.3771 6.6526 6.6526 6.7000 6.7000 8.6527 8.6527 9.6375 9.6415 k = 0.0000 0.0000 0.3851 ( 5730 PWs) bands (ev): -17.7675 -17.7675 -17.5885 -17.5885 -15.6216 -15.6216 -15.6157 -15.6157 -15.4340 -15.4340 -15.4128 -15.4128 -6.3488 -6.3488 -5.5283 -5.5283 -3.6823 -3.6823 -3.6745 -3.6745 -3.4338 -3.4338 -2.7804 -2.7804 -2.5823 -2.5823 -2.5197 -2.5197 -1.2621 -1.2621 -1.2553 -1.2553 0.0997 0.0997 0.2734 0.2734 0.2934 0.2934 0.9859 0.9859 0.9931 0.9931 1.3194 1.3194 1.3310 1.3310 1.4579 1.4579 1.9056 1.9056 2.1819 2.1819 6.3774 6.3774 6.6544 6.6544 6.7020 6.7020 8.6335 8.6335 9.6392 9.6458 k = 0.0000 0.0000 0.4019 ( 5718 PWs) bands (ev): -17.7647 -17.7647 -17.5914 -17.5914 -15.6220 -15.6220 -15.6160 -15.6160 -15.4336 -15.4336 -15.4125 -15.4125 -6.3459 -6.3459 -5.5324 -5.5324 -3.6798 -3.6798 -3.6719 -3.6719 -3.4241 -3.4241 -2.7936 -2.7936 -2.5869 -2.5869 -2.5242 -2.5242 -1.2653 -1.2653 -1.2584 -1.2584 0.1012 0.1012 0.2775 0.2775 0.2977 0.2977 0.9867 0.9867 0.9937 0.9937 1.3219 1.3219 1.3335 1.3335 1.4698 1.4698 1.9071 1.9071 2.1803 2.1803 6.3775 6.3775 6.6560 6.6560 6.7038 6.7038 8.6173 8.6173 9.6433 9.6472 k = 0.0000 0.0000 0.4186 ( 5718 PWs) bands (ev): -17.7622 -17.7622 -17.5940 -17.5940 -15.6222 -15.6222 -15.6162 -15.6162 -15.4334 -15.4334 -15.4122 -15.4122 -6.3435 -6.3435 -5.5358 -5.5358 -3.6777 -3.6777 -3.6698 -3.6698 -3.4157 -3.4157 -2.8050 -2.8050 -2.5908 -2.5908 -2.5279 -2.5279 -1.2679 -1.2679 -1.2609 -1.2609 0.1025 0.1025 0.2808 0.2808 0.3012 0.3012 0.9875 0.9875 0.9943 0.9943 1.3238 1.3238 1.3355 1.3355 1.4797 1.4797 1.9084 1.9084 2.1789 2.1789 6.3775 6.3775 6.6573 6.6573 6.7052 6.7052 8.6040 8.6040 9.6494 9.6652 k = 0.0000 0.0000 0.4353 ( 5706 PWs) bands (ev): -17.7602 -17.7602 -17.5960 -17.5960 -15.6224 -15.6224 -15.6164 -15.6164 -15.4331 -15.4331 -15.4120 -15.4120 -6.3416 -6.3416 -5.5386 -5.5386 -3.6760 -3.6760 -3.6681 -3.6681 -3.4089 -3.4089 -2.8141 -2.8141 -2.5938 -2.5938 -2.5309 -2.5309 -1.2699 -1.2699 -1.2630 -1.2630 0.1035 0.1035 0.2834 0.2834 0.3040 0.3040 0.9881 0.9881 0.9947 0.9947 1.3254 1.3254 1.3370 1.3370 1.4876 1.4876 1.9095 1.9095 2.1778 2.1778 6.3775 6.3775 6.6583 6.6583 6.7064 6.7064 8.5937 8.5937 9.6704 9.6740 k = 0.0000 0.0000 0.4521 ( 5706 PWs) bands (ev): -17.7587 -17.7587 -17.5975 -17.5975 -15.6226 -15.6226 -15.6166 -15.6166 -15.4330 -15.4330 -15.4119 -15.4119 -6.3402 -6.3402 -5.5405 -5.5405 -3.6747 -3.6747 -3.6669 -3.6669 -3.4038 -3.4038 -2.8209 -2.8209 -2.5960 -2.5960 -2.5330 -2.5330 -1.2714 -1.2714 -1.2644 -1.2644 0.1042 0.1042 0.2853 0.2853 0.3059 0.3059 0.9886 0.9886 0.9951 0.9951 1.3265 1.3265 1.3381 1.3381 1.4932 1.4932 1.9102 1.9102 2.1770 2.1770 6.3775 6.3775 6.6591 6.6591 6.7073 6.7073 8.5863 8.5863 9.6684 9.6714 k = 0.0000 0.0000 0.4688 ( 5676 PWs) bands (ev): -17.7578 -17.7578 -17.5985 -17.5985 -15.6226 -15.6226 -15.6167 -15.6167 -15.4329 -15.4329 -15.4118 -15.4118 -6.3394 -6.3394 -5.5417 -5.5417 -3.6740 -3.6740 -3.6662 -3.6662 -3.4007 -3.4007 -2.8250 -2.8250 -2.5974 -2.5974 -2.5343 -2.5343 -1.2723 -1.2723 -1.2653 -1.2653 0.1046 0.1046 0.2864 0.2864 0.3071 0.3071 0.9889 0.9889 0.9954 0.9954 1.3271 1.3271 1.3388 1.3388 1.4967 1.4967 1.9107 1.9107 2.1765 2.1765 6.3775 6.3775 6.6595 6.6595 6.7078 6.7078 8.5819 8.5819 9.6623 9.6694 k = 0.0000 0.0000 0.4856 ( 5676 PWs) bands (ev): -17.7575 -17.7575 -17.5988 -17.5988 -15.6227 -15.6227 -15.6167 -15.6167 -15.4328 -15.4328 -15.4117 -15.4117 -6.3391 -6.3391 -5.5421 -5.5421 -3.6737 -3.6737 -3.6659 -3.6659 -3.3996 -3.3996 -2.8264 -2.8264 -2.5978 -2.5978 -2.5347 -2.5347 -1.2726 -1.2726 -1.2656 -1.2656 0.1047 0.1047 0.2868 0.2868 0.3075 0.3075 0.9890 0.9890 0.9955 0.9955 1.3273 1.3273 1.3390 1.3390 1.4978 1.4978 1.9108 1.9108 2.1763 2.1763 6.3774 6.3774 6.6597 6.6597 6.7080 6.7080 8.5804 8.5804 9.6616 9.6844 k = 0.0000 0.0000 0.4856 ( 5676 PWs) bands (ev): -17.7575 -17.7575 -17.5988 -17.5988 -15.6227 -15.6227 -15.6167 -15.6167 -15.4328 -15.4328 -15.4117 -15.4117 -6.3391 -6.3391 -5.5421 -5.5421 -3.6737 -3.6737 -3.6659 -3.6659 -3.3996 -3.3996 -2.8264 -2.8264 -2.5978 -2.5978 -2.5347 -2.5347 -1.2726 -1.2726 -1.2656 -1.2656 0.1047 0.1047 0.2868 0.2868 0.3075 0.3075 0.9890 0.9890 0.9955 0.9955 1.3273 1.3273 1.3390 1.3390 1.4978 1.4978 1.9108 1.9108 2.1763 2.1763 6.3774 6.3774 6.6597 6.6597 6.7080 6.7080 8.5804 8.5804 9.6602 9.6806 k = 0.0147 0.0085 0.4856 ( 5696 PWs) bands (ev): -17.7572 -17.7572 -17.5989 -17.5989 -15.6225 -15.6225 -15.6165 -15.6165 -15.4331 -15.4331 -15.4120 -15.4120 -6.3377 -6.3377 -5.5443 -5.5443 -3.6733 -3.6733 -3.6655 -3.6655 -3.3976 -3.3976 -2.8289 -2.8289 -2.5965 -2.5965 -2.5338 -2.5338 -1.2713 -1.2713 -1.2642 -1.2642 0.1036 0.1036 0.2865 0.2865 0.3072 0.3072 0.9880 0.9880 0.9945 0.9945 1.3264 1.3264 1.3381 1.3381 1.4969 1.4969 1.9095 1.9095 2.1754 2.1754 6.3789 6.3789 6.6604 6.6604 6.7088 6.7088 8.5826 8.5826 9.6573 9.6606 k = 0.0294 0.0170 0.4856 ( 5698 PWs) bands (ev): -17.7564 -17.7564 -17.5994 -17.5994 -15.6221 -15.6221 -15.6160 -15.6160 -15.4341 -15.4341 -15.4129 -15.4129 -6.3336 -6.3336 -5.5508 -5.5508 -3.6722 -3.6722 -3.6638 -3.6638 -3.3915 -3.3915 -2.8364 -2.8364 -2.5928 -2.5928 -2.5310 -2.5310 -1.2673 -1.2673 -1.2602 -1.2602 0.1003 0.1003 0.2855 0.2855 0.3062 0.3062 0.9848 0.9848 0.9921 0.9921 1.3236 1.3236 1.3355 1.3355 1.4942 1.4942 1.9058 1.9058 2.1727 2.1727 6.3833 6.3833 6.6624 6.6624 6.7115 6.7115 8.5890 8.5890 9.6480 9.6532 k = 0.0441 0.0255 0.4856 ( 5702 PWs) bands (ev): -17.7549 -17.7549 -17.6002 -17.6002 -15.6215 -15.6215 -15.6150 -15.6150 -15.4357 -15.4357 -15.4143 -15.4143 -6.3268 -6.3268 -5.5614 -5.5614 -3.6712 -3.6712 -3.6605 -3.6605 -3.3814 -3.3814 -2.8481 -2.8481 -2.5872 -2.5872 -2.5265 -2.5265 -1.2607 -1.2607 -1.2534 -1.2534 0.0948 0.0948 0.2837 0.2837 0.3045 0.3045 0.9788 0.9788 0.9888 0.9888 1.3185 1.3185 1.3314 1.3314 1.4897 1.4897 1.8996 1.8996 2.1682 2.1682 6.3906 6.3906 6.6652 6.6652 6.7164 6.7164 8.5997 8.5997 9.6324 9.6327 k = 0.0588 0.0340 0.4856 ( 5710 PWs) bands (ev): -17.7529 -17.7529 -17.6013 -17.6013 -15.6209 -15.6209 -15.6134 -15.6134 -15.4383 -15.4383 -15.4158 -15.4158 -6.3173 -6.3173 -5.5759 -5.5759 -3.6705 -3.6705 -3.6553 -3.6553 -3.3674 -3.3674 -2.8633 -2.8633 -2.5802 -2.5802 -2.5203 -2.5203 -1.2516 -1.2516 -1.2440 -1.2440 0.0874 0.0874 0.2811 0.2811 0.3020 0.3020 0.9703 0.9703 0.9846 0.9846 1.3108 1.3108 1.3262 1.3262 1.4833 1.4833 1.8911 1.8911 2.1619 2.1619 6.4006 6.4006 6.6681 6.6681 6.7242 6.7242 8.6145 8.6145 9.6135 9.6159 k = 0.0735 0.0425 0.4856 ( 5706 PWs) bands (ev): -17.7503 -17.7503 -17.6027 -17.6027 -15.6205 -15.6205 -15.6111 -15.6111 -15.4420 -15.4420 -15.4174 -15.4174 -6.3053 -6.3053 -5.5939 -5.5939 -3.6701 -3.6701 -3.6485 -3.6485 -3.3499 -3.3499 -2.8812 -2.8812 -2.5723 -2.5723 -2.5125 -2.5125 -1.2399 -1.2399 -1.2321 -1.2321 0.0781 0.0781 0.2774 0.2774 0.2985 0.2985 0.9599 0.9599 0.9795 0.9795 1.3002 1.3002 1.3203 1.3203 1.4752 1.4752 1.8807 1.8807 2.1539 2.1539 6.4133 6.4133 6.6706 6.6706 6.7353 6.7353 8.6332 8.6332 9.5905 9.5909 k = 0.0882 0.0509 0.4856 ( 5714 PWs) bands (ev): -17.7472 -17.7472 -17.6043 -17.6043 -15.6201 -15.6201 -15.6081 -15.6081 -15.4469 -15.4469 -15.4189 -15.4189 -6.2908 -6.2908 -5.6150 -5.6150 -3.6699 -3.6699 -3.6404 -3.6404 -3.3292 -3.3292 -2.9010 -2.9010 -2.5637 -2.5637 -2.5035 -2.5035 -1.2258 -1.2258 -1.2176 -1.2176 0.0672 0.0672 0.2725 0.2725 0.2937 0.2937 0.9481 0.9481 0.9730 0.9730 1.2869 1.2869 1.3135 1.3135 1.4653 1.4653 1.8685 1.8685 2.1442 2.1442 6.4283 6.4283 6.6724 6.6724 6.7496 6.7496 8.6555 8.6555 9.5666 9.5700 k = 0.1029 0.0594 0.4856 ( 5724 PWs) bands (ev): -17.7436 -17.7436 -17.6062 -17.6062 -15.6198 -15.6198 -15.6046 -15.6046 -15.4529 -15.4529 -15.4201 -15.4201 -6.2740 -6.2740 -5.6387 -5.6387 -3.6698 -3.6698 -3.6313 -3.6313 -3.3060 -3.3060 -2.9218 -2.9218 -2.5545 -2.5545 -2.4936 -2.4936 -1.2094 -1.2094 -1.2008 -1.2008 0.0548 0.0548 0.2663 0.2663 0.2873 0.2873 0.9355 0.9355 0.9650 0.9650 1.2709 1.2709 1.3060 1.3060 1.4536 1.4536 1.8549 1.8549 2.1330 2.1330 6.4455 6.4455 6.6738 6.6738 6.7670 6.7670 8.6811 8.6811 9.5412 9.5415 k = 0.1176 0.0679 0.4856 ( 5728 PWs) bands (ev): -17.7395 -17.7395 -17.6084 -17.6084 -15.6195 -15.6195 -15.6007 -15.6007 -15.4601 -15.4601 -15.4212 -15.4212 -6.2552 -6.2552 -5.6646 -5.6646 -3.6697 -3.6697 -3.6212 -3.6212 -3.2812 -3.2812 -2.9427 -2.9427 -2.5447 -2.5447 -2.4830 -2.4830 -1.1909 -1.1909 -1.1817 -1.1817 0.0411 0.0411 0.2588 0.2588 0.2792 0.2792 0.9229 0.9229 0.9553 0.9553 1.2522 1.2522 1.2978 1.2978 1.4402 1.4402 1.8401 1.8401 2.1202 2.1202 6.4645 6.4645 6.6749 6.6749 6.7869 6.7869 8.7095 8.7095 9.5168 9.5252 k = 0.1324 0.0764 0.4856 ( 5724 PWs) bands (ev): -17.7350 -17.7350 -17.6106 -17.6106 -15.6193 -15.6193 -15.5963 -15.5963 -15.4681 -15.4681 -15.4221 -15.4221 -6.2346 -6.2346 -5.6920 -5.6920 -3.6697 -3.6697 -3.6103 -3.6103 -3.2562 -3.2562 -2.9624 -2.9624 -2.5341 -2.5341 -2.4722 -2.4722 -1.1703 -1.1703 -1.1604 -1.1604 0.0263 0.0263 0.2496 0.2496 0.2694 0.2694 0.9108 0.9108 0.9437 0.9437 1.2310 1.2310 1.2890 1.2890 1.4252 1.4252 1.8247 1.8247 2.1060 2.1060 6.4850 6.4850 6.6762 6.6762 6.8091 6.8091 8.7403 8.7403 9.4924 9.4959 k = 0.1471 0.0849 0.4856 ( 5724 PWs) bands (ev): -17.7301 -17.7301 -17.6131 -17.6131 -15.6191 -15.6191 -15.5918 -15.5918 -15.4769 -15.4769 -15.4230 -15.4230 -6.2126 -6.2126 -5.7203 -5.7203 -3.6698 -3.6698 -3.5986 -3.5986 -3.2332 -3.2332 -2.9789 -2.9789 -2.5229 -2.5229 -2.4614 -2.4614 -1.1479 -1.1479 -1.1370 -1.1370 0.0105 0.0105 0.2383 0.2383 0.2579 0.2579 0.8996 0.8996 0.9299 0.9299 1.2073 1.2073 1.2799 1.2799 1.4085 1.4085 1.8088 1.8088 2.0904 2.0904 6.5064 6.5064 6.6781 6.6781 6.8329 6.8329 8.7727 8.7727 9.4688 9.4689 k = 0.1618 0.0934 0.4856 ( 5722 PWs) bands (ev): -17.7248 -17.7248 -17.6156 -17.6156 -15.6189 -15.6189 -15.5872 -15.5872 -15.4862 -15.4862 -15.4238 -15.4238 -6.1896 -6.1896 -5.7487 -5.7487 -3.6700 -3.6700 -3.5860 -3.5860 -3.2154 -3.2154 -2.9889 -2.9889 -2.5109 -2.5109 -2.4507 -2.4507 -1.1238 -1.1238 -1.1115 -1.1115 -0.0061 -0.0061 0.2245 0.2245 0.2454 0.2454 0.8897 0.8897 0.9136 0.9136 1.1813 1.1813 1.2705 1.2705 1.3902 1.3902 1.7929 1.7929 2.0736 2.0736 6.5279 6.5279 6.6810 6.6810 6.8581 6.8581 8.8061 8.8061 9.4465 9.4473 k = 0.1765 0.1019 0.4856 ( 5714 PWs) bands (ev): -17.7193 -17.7193 -17.6181 -17.6181 -15.6187 -15.6187 -15.5829 -15.5829 -15.4957 -15.4957 -15.4245 -15.4245 -6.1665 -6.1665 -5.7763 -5.7763 -3.6703 -3.6703 -3.5727 -3.5727 -3.2069 -3.2069 -2.9890 -2.9890 -2.4981 -2.4981 -2.4404 -2.4404 -1.0984 -1.0984 -1.0840 -1.0840 -0.0234 -0.0234 0.2077 0.2077 0.2323 0.2323 0.8812 0.8812 0.8950 0.8950 1.1531 1.1531 1.2612 1.2612 1.3705 1.3705 1.7771 1.7771 2.0558 2.0558 6.5486 6.5486 6.6860 6.6860 6.8843 6.8843 8.8396 8.8396 9.4257 9.4257 k = 0.1912 0.1104 0.4856 ( 5706 PWs) bands (ev): -17.7136 -17.7136 -17.6207 -17.6207 -15.6185 -15.6185 -15.5792 -15.5792 -15.5048 -15.5048 -15.4252 -15.4252 -6.1442 -6.1442 -5.8018 -5.8018 -3.6707 -3.6707 -3.5585 -3.5585 -3.2098 -3.2098 -2.9771 -2.9771 -2.4846 -2.4846 -2.4306 -2.4306 -1.0717 -1.0717 -1.0546 -1.0546 -0.0411 -0.0411 0.1881 0.1881 0.2187 0.2187 0.8706 0.8706 0.8775 0.8775 1.1229 1.1229 1.2522 1.2522 1.3494 1.3494 1.7618 1.7618 2.0370 2.0370 6.5673 6.5673 6.6941 6.6941 6.9111 6.9111 8.8724 8.8724 9.4066 9.4066 k = 0.2059 0.1189 0.4856 ( 5710 PWs) bands (ev): -17.7079 -17.7079 -17.6231 -17.6231 -15.6182 -15.6182 -15.5769 -15.5769 -15.5129 -15.5129 -15.4258 -15.4258 -6.1244 -6.1244 -5.8234 -5.8234 -3.6712 -3.6712 -3.5434 -3.5434 -3.2229 -3.2229 -2.9548 -2.9548 -2.4705 -2.4705 -2.4214 -2.4214 -1.0441 -1.0441 -1.0233 -1.0233 -0.0591 -0.0591 0.1660 0.1660 0.2046 0.2046 0.8477 0.8477 0.8711 0.8711 1.0910 1.0910 1.2435 1.2435 1.3269 1.3269 1.7472 1.7472 2.0175 2.0175 6.5826 6.5826 6.7063 6.7063 6.9381 6.9381 8.9035 8.9035 9.3897 9.3897 k = 0.2206 0.1274 0.4856 ( 5714 PWs) bands (ev): -17.7021 -17.7021 -17.6253 -17.6253 -15.6180 -15.6180 -15.5770 -15.5770 -15.5188 -15.5188 -15.4265 -15.4265 -6.1094 -6.1094 -5.8388 -5.8388 -3.6717 -3.6717 -3.5275 -3.5275 -3.2432 -3.2432 -2.9253 -2.9253 -2.4563 -2.4563 -2.4125 -2.4125 -1.0158 -1.0158 -0.9903 -0.9903 -0.0771 -0.0771 0.1422 0.1422 0.1897 0.1897 0.8206 0.8206 0.8675 0.8675 1.0575 1.0575 1.2354 1.2354 1.3033 1.3033 1.7333 1.7333 1.9973 1.9973 6.5937 6.5937 6.7233 6.7233 6.9650 6.9650 8.9323 8.9323 9.3750 9.3750 k = 0.2353 0.1358 0.4856 ( 5712 PWs) bands (ev): -17.6966 -17.6966 -17.6272 -17.6272 -15.6178 -15.6178 -15.5805 -15.5805 -15.5215 -15.5215 -15.4271 -15.4271 -6.1017 -6.1017 -5.8455 -5.8455 -3.6724 -3.6724 -3.5107 -3.5107 -3.2678 -3.2678 -2.8917 -2.8917 -2.4423 -2.4423 -2.4037 -2.4037 -0.9870 -0.9870 -0.9557 -0.9557 -0.0948 -0.0948 0.1172 0.1172 0.1739 0.1739 0.7908 0.7908 0.8651 0.8651 1.0229 1.0229 1.2279 1.2279 1.2787 1.2787 1.7204 1.7204 1.9766 1.9766 6.6009 6.6009 6.7446 6.7446 6.9916 6.9916 8.9586 8.9586 9.3626 9.3626 k = 0.2500 0.1443 0.4856 ( 5706 PWs) bands (ev): -17.6914 -17.6914 -17.6285 -17.6285 -15.6176 -15.6176 -15.5873 -15.5873 -15.5209 -15.5209 -15.4278 -15.4278 -6.1029 -6.1029 -5.8417 -5.8417 -3.6731 -3.6731 -3.4930 -3.4930 -3.2950 -3.2950 -2.8560 -2.8560 -2.4299 -2.4299 -2.3939 -2.3939 -0.9579 -0.9579 -0.9196 -0.9196 -0.1119 -0.1119 0.0916 0.0916 0.1573 0.1573 0.7584 0.7584 0.8630 0.8630 0.9879 0.9879 1.2210 1.2210 1.2535 1.2535 1.7085 1.7085 1.9555 1.9555 6.6051 6.6051 6.7692 6.7692 7.0176 7.0176 8.9824 8.9824 9.3524 9.3524 k = 0.2647 0.1528 0.4856 ( 5714 PWs) bands (ev): -17.6868 -17.6868 -17.6291 -17.6291 -15.6175 -15.6175 -15.5966 -15.5966 -15.5181 -15.5181 -15.4284 -15.4284 -6.1126 -6.1126 -5.8279 -5.8279 -3.6740 -3.6740 -3.4744 -3.4744 -3.3237 -3.3237 -2.8196 -2.8196 -2.4204 -2.4204 -2.3820 -2.3820 -0.9289 -0.9289 -0.8821 -0.8821 -0.1281 -0.1281 0.0661 0.0661 0.1399 0.1399 0.7239 0.7239 0.8601 0.8601 0.9535 0.9535 1.2141 1.2141 1.2284 1.2284 1.6976 1.6976 1.9344 1.9344 6.6072 6.6072 6.7958 6.7958 7.0427 7.0427 9.0041 9.0041 9.3445 9.3445 k = 0.2794 0.1613 0.4856 ( 5720 PWs) bands (ev): -17.6831 -17.6831 -17.6288 -17.6288 -15.6174 -15.6174 -15.6072 -15.6072 -15.5138 -15.5138 -15.4289 -15.4289 -6.1285 -6.1285 -5.8065 -5.8065 -3.6749 -3.6749 -3.4551 -3.4551 -3.3530 -3.3530 -2.7837 -2.7837 -2.4143 -2.4143 -2.3676 -2.3676 -0.9001 -0.9001 -0.8435 -0.8435 -0.1431 -0.1431 0.0410 0.0410 0.1216 0.1216 0.6875 0.6875 0.8533 0.8533 0.9225 0.9225 1.1986 1.1986 1.2121 1.2121 1.6878 1.6878 1.9132 1.9132 6.6080 6.6080 6.8236 6.8236 7.0667 7.0667 9.0244 9.0244 9.3388 9.3388 k = 0.2941 0.1698 0.4856 ( 5724 PWs) bands (ev): -17.6805 -17.6805 -17.6275 -17.6275 -15.6199 -15.6199 -15.6160 -15.6160 -15.5087 -15.5087 -15.4295 -15.4295 -6.1483 -6.1483 -5.7799 -5.7799 -3.6758 -3.6758 -3.4351 -3.4351 -3.3824 -3.3824 -2.7489 -2.7489 -2.4111 -2.4111 -2.3511 -2.3511 -0.8719 -0.8719 -0.8037 -0.8037 -0.1565 -0.1565 0.0169 0.0169 0.1025 0.1025 0.6497 0.6497 0.8370 0.8370 0.9006 0.9006 1.1735 1.1735 1.2063 1.2063 1.6790 1.6790 1.8922 1.8922 6.6079 6.6079 6.8518 6.8518 7.0894 7.0894 9.0439 9.0439 9.3350 9.3350 k = 0.3088 0.1783 0.4856 ( 5720 PWs) bands (ev): -17.6789 -17.6789 -17.6250 -17.6250 -15.6309 -15.6309 -15.6165 -15.6165 -15.5033 -15.5033 -15.4300 -15.4300 -6.1701 -6.1701 -5.7501 -5.7501 -3.6768 -3.6768 -3.4187 -3.4187 -3.4072 -3.4072 -2.7161 -2.7161 -2.4099 -2.4099 -2.3335 -2.3335 -0.8447 -0.8447 -0.7630 -0.7630 -0.1678 -0.1678 -0.0060 -0.0060 0.0828 0.0828 0.6107 0.6107 0.8090 0.8090 0.8896 0.8896 1.1480 1.1480 1.2020 1.2020 1.6713 1.6713 1.8715 1.8715 6.6073 6.6073 6.8800 6.8800 7.1108 7.1108 9.0634 9.0634 9.3331 9.3331 k = 0.3235 0.1868 0.4856 ( 5720 PWs) bands (ev): -17.6783 -17.6783 -17.6217 -17.6217 -15.6426 -15.6426 -15.6164 -15.6164 -15.4978 -15.4978 -15.4305 -15.4305 -6.1925 -6.1925 -5.7186 -5.7186 -3.6778 -3.6778 -3.4421 -3.4421 -3.3911 -3.3911 -2.6861 -2.6861 -2.4100 -2.4100 -2.3154 -2.3154 -0.8186 -0.8186 -0.7216 -0.7216 -0.1768 -0.1768 -0.0274 -0.0274 0.0624 0.0624 0.5710 0.5710 0.7749 0.7749 0.8838 0.8838 1.1235 1.1235 1.1984 1.1984 1.6646 1.6646 1.8513 1.8513 6.6064 6.6064 6.9076 6.9076 7.1307 7.1307 9.0833 9.0833 9.3328 9.3328 k = 0.3382 0.1953 0.4856 ( 5728 PWs) bands (ev): -17.6784 -17.6784 -17.6176 -17.6176 -15.6540 -15.6540 -15.6162 -15.6162 -15.4925 -15.4925 -15.4310 -15.4310 -6.2147 -6.2147 -5.6866 -5.6866 -3.6788 -3.6788 -3.4698 -3.4698 -3.3693 -3.3693 -2.6598 -2.6598 -2.4104 -2.4104 -2.2972 -2.2972 -0.7942 -0.7942 -0.6795 -0.6795 -0.1833 -0.1833 -0.0470 -0.0470 0.0416 0.0416 0.5309 0.5309 0.7389 0.7389 0.8789 0.8789 1.1008 1.1008 1.1952 1.1952 1.6590 1.6590 1.8317 1.8317 6.6053 6.6053 6.9343 6.9343 7.1490 7.1490 9.1040 9.1040 9.3340 9.3340 k = 0.3529 0.2038 0.4856 ( 5726 PWs) bands (ev): -17.6791 -17.6791 -17.6132 -17.6132 -15.6650 -15.6650 -15.6161 -15.6161 -15.4873 -15.4873 -15.4314 -15.4314 -6.2360 -6.2360 -5.6549 -5.6549 -3.6798 -3.6798 -3.4967 -3.4967 -3.3469 -3.3469 -2.6380 -2.6380 -2.4103 -2.4103 -2.2792 -2.2792 -0.7716 -0.7716 -0.6370 -0.6370 -0.1870 -0.1870 -0.0646 -0.0646 0.0204 0.0204 0.4909 0.4909 0.7027 0.7027 0.8727 0.8727 1.0805 1.0805 1.1925 1.1925 1.6544 1.6544 1.8129 1.8129 6.6041 6.6041 6.9598 6.9598 7.1656 7.1656 9.1256 9.1256 9.3362 9.3362 k = 0.3676 0.2123 0.4856 ( 5724 PWs) bands (ev): -17.6802 -17.6802 -17.6086 -17.6086 -15.6753 -15.6753 -15.6159 -15.6159 -15.4824 -15.4824 -15.4317 -15.4317 -6.2562 -6.2562 -5.6240 -5.6240 -3.6808 -3.6808 -3.5222 -3.5222 -3.3244 -3.3244 -2.6217 -2.6217 -2.4089 -2.4089 -2.2619 -2.2619 -0.7511 -0.7511 -0.5942 -0.5942 -0.1881 -0.1881 -0.0801 -0.0801 -0.0011 -0.0011 0.4515 0.4515 0.6673 0.6673 0.8645 0.8645 1.0635 1.0635 1.1901 1.1901 1.6508 1.6508 1.7950 1.7950 6.6029 6.6029 6.9838 6.9838 7.1807 7.1807 9.1481 9.1481 9.3394 9.3394 k = 0.3824 0.2208 0.4856 ( 5728 PWs) bands (ev): -17.6813 -17.6813 -17.6041 -17.6041 -15.6849 -15.6849 -15.6158 -15.6158 -15.4778 -15.4778 -15.4320 -15.4320 -6.2747 -6.2747 -5.5947 -5.5947 -3.6817 -3.6817 -3.5461 -3.5461 -3.3020 -3.3020 -2.6114 -2.6114 -2.4053 -2.4053 -2.2454 -2.2454 -0.7328 -0.7328 -0.5514 -0.5514 -0.1866 -0.1866 -0.0936 -0.0936 -0.0229 -0.0229 0.4130 0.4130 0.6334 0.6334 0.8538 0.8538 1.0499 1.0499 1.1880 1.1880 1.6482 1.6482 1.7780 1.7780 6.6018 6.6018 7.0060 7.0060 7.1940 7.1940 9.1714 9.1714 9.3431 9.3431 k = 0.3971 0.2292 0.4856 ( 5728 PWs) bands (ev): -17.6826 -17.6826 -17.5998 -17.5998 -15.6937 -15.6937 -15.6156 -15.6156 -15.4737 -15.4737 -15.4323 -15.4323 -6.2915 -6.2915 -5.5674 -5.5674 -3.6826 -3.6826 -3.5680 -3.5680 -3.2802 -3.2802 -2.6069 -2.6069 -2.3995 -2.3995 -2.2300 -2.2300 -0.7170 -0.7170 -0.5088 -0.5088 -0.1829 -0.1829 -0.1050 -0.1050 -0.0448 -0.0448 0.3761 0.3761 0.6017 0.6017 0.8409 0.8409 1.0397 1.0397 1.1863 1.1863 1.6466 1.6466 1.7622 1.7622 6.6008 6.6008 7.0262 7.0262 7.2058 7.2058 9.1951 9.1951 9.3473 9.3473 k = 0.4118 0.2377 0.4856 ( 5736 PWs) bands (ev): -17.6838 -17.6838 -17.5958 -17.5958 -15.7015 -15.7015 -15.6155 -15.6155 -15.4701 -15.4701 -15.4325 -15.4325 -6.3064 -6.3064 -5.5426 -5.5426 -3.6834 -3.6834 -3.5877 -3.5877 -3.2594 -3.2594 -2.6075 -2.6075 -2.3919 -2.3919 -2.2160 -2.2160 -0.7035 -0.7035 -0.4667 -0.4667 -0.1775 -0.1775 -0.1144 -0.1144 -0.0670 -0.0670 0.3414 0.3414 0.5726 0.5726 0.8267 0.8267 1.0326 1.0326 1.1848 1.1848 1.6459 1.6459 1.7476 1.7476 6.5998 6.5998 7.0442 7.0442 7.2159 7.2159 9.2188 9.2188 9.3515 9.3515 k = 0.4265 0.2462 0.4856 ( 5724 PWs) bands (ev): -17.6849 -17.6849 -17.5923 -17.5923 -15.7083 -15.7083 -15.6154 -15.6154 -15.4670 -15.4670 -15.4326 -15.4326 -6.3191 -6.3191 -5.5208 -5.5208 -3.6841 -3.6841 -3.6049 -3.6049 -3.2401 -3.2401 -2.6116 -2.6116 -2.3835 -2.3835 -2.2037 -2.2037 -0.6924 -0.6924 -0.4254 -0.4254 -0.1712 -0.1712 -0.1220 -0.1220 -0.0894 -0.0894 0.3097 0.3097 0.5467 0.5467 0.8122 0.8122 1.0278 1.0278 1.1836 1.1836 1.6461 1.6461 1.7343 1.7343 6.5990 6.5990 7.0597 7.0597 7.2244 7.2244 9.2415 9.2415 9.3556 9.3556 k = 0.4412 0.2547 0.4856 ( 5708 PWs) bands (ev): -17.6858 -17.6858 -17.5894 -17.5894 -15.7139 -15.7139 -15.6153 -15.6153 -15.4645 -15.4645 -15.4327 -15.4327 -6.3297 -6.3297 -5.5024 -5.5024 -3.6847 -3.6847 -3.6194 -3.6194 -3.2230 -3.2230 -2.6177 -2.6177 -2.3753 -2.3753 -2.1933 -2.1933 -0.6835 -0.6835 -0.3853 -0.3853 -0.1646 -0.1646 -0.1285 -0.1285 -0.1116 -0.1116 0.2818 0.2818 0.5246 0.5246 0.7986 0.7986 1.0248 1.0248 1.1826 1.1826 1.6471 1.6471 1.7226 1.7226 6.5983 6.5983 7.0726 7.0726 7.2313 7.2313 9.2625 9.2625 9.3595 9.3595 k = 0.4559 0.2632 0.4856 ( 5710 PWs) bands (ev): -17.6866 -17.6866 -17.5870 -17.5870 -15.7184 -15.7184 -15.6152 -15.6152 -15.4625 -15.4625 -15.4327 -15.4327 -6.3380 -6.3380 -5.4877 -5.4877 -3.6852 -3.6852 -3.6309 -3.6309 -3.2086 -3.2086 -2.6243 -2.6243 -2.3682 -2.3682 -2.1850 -2.1850 -0.6768 -0.6768 -0.3472 -0.3472 -0.1586 -0.1586 -0.1401 -0.1401 -0.1277 -0.1277 0.2587 0.2587 0.5068 0.5068 0.7868 0.7868 1.0230 1.0230 1.1818 1.1818 1.6487 1.6487 1.7126 1.7126 6.5978 6.5978 7.0829 7.0829 7.2367 7.2367 9.2805 9.2805 9.3628 9.3628 k = 0.4706 0.2717 0.4856 ( 5716 PWs) bands (ev): -17.6872 -17.6872 -17.5852 -17.5852 -15.7216 -15.7216 -15.6152 -15.6152 -15.4611 -15.4611 -15.4327 -15.4327 -6.3440 -6.3440 -5.4770 -5.4770 -3.6856 -3.6856 -3.6393 -3.6393 -3.1978 -3.1978 -2.6300 -2.6300 -2.3626 -2.3626 -2.1789 -2.1789 -0.6721 -0.6721 -0.3120 -0.3120 -0.1636 -0.1636 -0.1525 -0.1525 -0.1323 -0.1323 0.2413 0.2413 0.4937 0.4937 0.7777 0.7777 1.0219 1.0219 1.1813 1.1813 1.6505 1.6505 1.7047 1.7047 6.5974 6.5974 7.0902 7.0902 7.2405 7.2405 9.2945 9.2945 9.3654 9.3654 k = 0.4853 0.2802 0.4856 ( 5712 PWs) bands (ev): -17.6875 -17.6875 -17.5842 -17.5842 -15.7235 -15.7235 -15.6152 -15.6152 -15.4602 -15.4602 -15.4327 -15.4327 -6.3476 -6.3476 -5.4704 -5.4704 -3.6859 -3.6859 -3.6443 -3.6443 -3.1910 -3.1910 -2.6339 -2.6339 -2.3592 -2.3592 -2.1752 -2.1752 -0.6693 -0.6693 -0.2826 -0.2826 -0.1853 -0.1853 -0.1497 -0.1497 -0.1342 -0.1342 0.2305 0.2305 0.4857 0.4857 0.7720 0.7720 1.0214 1.0214 1.1809 1.1809 1.6521 1.6521 1.6995 1.6995 6.5972 6.5972 7.0947 7.0947 7.2428 7.2428 9.3034 9.3034 9.3672 9.3672 k = 0.5000 0.2887 0.4856 ( 5704 PWs) bands (ev): -17.6876 -17.6876 -17.5838 -17.5838 -15.7242 -15.7242 -15.6151 -15.6151 -15.4599 -15.4599 -15.4327 -15.4327 -6.3488 -6.3488 -5.4682 -5.4682 -3.6859 -3.6859 -3.6460 -3.6460 -3.1887 -3.1887 -2.6352 -2.6352 -2.3580 -2.3580 -2.1740 -2.1740 -0.6684 -0.6684 -0.2689 -0.2689 -0.1966 -0.1966 -0.1486 -0.1486 -0.1348 -0.1348 0.2268 0.2268 0.4830 0.4830 0.7700 0.7700 1.0212 1.0212 1.1808 1.1808 1.6528 1.6528 1.6976 1.6976 6.5971 6.5971 7.0962 7.0962 7.2436 7.2436 9.3064 9.3064 9.3678 9.3678 k = 0.5000 0.2887 0.4856 ( 5704 PWs) bands (ev): -17.6876 -17.6876 -17.5838 -17.5838 -15.7242 -15.7242 -15.6151 -15.6151 -15.4599 -15.4599 -15.4327 -15.4327 -6.3488 -6.3488 -5.4682 -5.4682 -3.6859 -3.6859 -3.6460 -3.6460 -3.1887 -3.1887 -2.6352 -2.6352 -2.3580 -2.3580 -2.1740 -2.1740 -0.6684 -0.6684 -0.2689 -0.2689 -0.1966 -0.1966 -0.1486 -0.1486 -0.1348 -0.1348 0.2268 0.2268 0.4830 0.4830 0.7700 0.7700 1.0212 1.0212 1.1808 1.1808 1.6528 1.6528 1.6976 1.6976 6.5971 6.5971 7.0962 7.0962 7.2436 7.2436 9.3064 9.3064 9.3678 9.3678 k = 0.4917 0.3031 0.4856 ( 5710 PWs) bands (ev): -17.6874 -17.6874 -17.5840 -17.5840 -15.7242 -15.7242 -15.6148 -15.6148 -15.4599 -15.4599 -15.4331 -15.4331 -6.3477 -6.3477 -5.4710 -5.4710 -3.6824 -3.6824 -3.6452 -3.6452 -3.1884 -3.1884 -2.6360 -2.6360 -2.3583 -2.3583 -2.1762 -2.1762 -0.6673 -0.6673 -0.2720 -0.2720 -0.2056 -0.2056 -0.1394 -0.1394 -0.1303 -0.1303 0.2276 0.2276 0.4828 0.4828 0.7698 0.7698 1.0198 1.0198 1.1790 1.1790 1.6528 1.6528 1.6965 1.6965 6.5992 6.5992 7.0966 7.0966 7.2431 7.2431 9.3072 9.3072 9.3677 9.3677 k = 0.4833 0.3175 0.4856 ( 5706 PWs) bands (ev): -17.6868 -17.6868 -17.5846 -17.5846 -15.7244 -15.7244 -15.6139 -15.6139 -15.4600 -15.4600 -15.4340 -15.4340 -6.3443 -6.3443 -5.4790 -5.4790 -3.6717 -3.6717 -3.6429 -3.6429 -3.1878 -3.1878 -2.6384 -2.6384 -2.3591 -2.3591 -2.1827 -2.1827 -0.6641 -0.6641 -0.2804 -0.2804 -0.2234 -0.2234 -0.1240 -0.1240 -0.1149 -0.1149 0.2299 0.2299 0.4823 0.4823 0.7693 0.7693 1.0155 1.0155 1.1736 1.1736 1.6528 1.6528 1.6931 1.6931 6.6054 6.6054 7.0979 7.0979 7.2416 7.2416 9.3095 9.3095 9.3674 9.3674 k = 0.4750 0.3320 0.4856 ( 5718 PWs) bands (ev): -17.6857 -17.6857 -17.5854 -17.5854 -15.7247 -15.7247 -15.6123 -15.6123 -15.4601 -15.4601 -15.4356 -15.4356 -6.3387 -6.3387 -5.4921 -5.4921 -3.6546 -3.6546 -3.6388 -3.6388 -3.1867 -3.1867 -2.6424 -2.6424 -2.3605 -2.3605 -2.1933 -2.1933 -0.6588 -0.6588 -0.2924 -0.2924 -0.2428 -0.2428 -0.1081 -0.1081 -0.0918 -0.0918 0.2337 0.2337 0.4815 0.4815 0.7684 0.7684 1.0084 1.0084 1.1643 1.1643 1.6528 1.6528 1.6876 1.6876 6.6155 6.6155 7.1000 7.1000 7.2392 7.2392 9.3134 9.3134 9.3671 9.3671 k = 0.4667 0.3464 0.4856 ( 5714 PWs) bands (ev): -17.6843 -17.6843 -17.5867 -17.5867 -15.7251 -15.7251 -15.6101 -15.6101 -15.4602 -15.4602 -15.4378 -15.4378 -6.3308 -6.3308 -5.5098 -5.5098 -3.6371 -3.6371 -3.6274 -3.6274 -3.1851 -3.1851 -2.6479 -2.6479 -2.3626 -2.3626 -2.2080 -2.2080 -0.6517 -0.6517 -0.3061 -0.3061 -0.2621 -0.2621 -0.0899 -0.0899 -0.0662 -0.0662 0.2389 0.2389 0.4803 0.4803 0.7671 0.7671 0.9988 0.9988 1.1511 1.1511 1.6526 1.6526 1.6806 1.6806 6.6294 6.6294 7.1029 7.1029 7.2359 7.2359 9.3186 9.3186 9.3670 9.3670 k = 0.4583 0.3608 0.4856 ( 5716 PWs) bands (ev): -17.6825 -17.6825 -17.5882 -17.5882 -15.7257 -15.7257 -15.6074 -15.6074 -15.4605 -15.4605 -15.4404 -15.4404 -6.3209 -6.3209 -5.5317 -5.5317 -3.6293 -3.6293 -3.5992 -3.5992 -3.1830 -3.1830 -2.6548 -2.6548 -2.3652 -2.3652 -2.2265 -2.2265 -0.6428 -0.6428 -0.3207 -0.3207 -0.2807 -0.2807 -0.0697 -0.0697 -0.0392 -0.0392 0.2455 0.2455 0.4788 0.4788 0.7656 0.7656 0.9869 0.9869 1.1337 1.1337 1.6522 1.6522 1.6723 1.6723 6.6468 6.6468 7.1064 7.1064 7.2316 7.2316 9.3251 9.3251 9.3673 9.3673 k = 0.4500 0.3753 0.4856 ( 5714 PWs) bands (ev): -17.6803 -17.6803 -17.5900 -17.5900 -15.7263 -15.7263 -15.6041 -15.6041 -15.4609 -15.4609 -15.4435 -15.4435 -6.3089 -6.3089 -5.5572 -5.5572 -3.6216 -3.6216 -3.5645 -3.5645 -3.1803 -3.1803 -2.6630 -2.6630 -2.3687 -2.3687 -2.2483 -2.2483 -0.6325 -0.6325 -0.3355 -0.3355 -0.2985 -0.2985 -0.0482 -0.0482 -0.0111 -0.0111 0.2533 0.2533 0.4767 0.4767 0.7639 0.7639 0.9730 0.9730 1.1118 1.1118 1.6514 1.6514 1.6634 1.6634 6.6673 6.6673 7.1105 7.1105 7.2266 7.2266 9.3327 9.3327 9.3684 9.3684 k = 0.4417 0.3897 0.4856 ( 5714 PWs) bands (ev): -17.6777 -17.6777 -17.5922 -17.5922 -15.7270 -15.7270 -15.6003 -15.6003 -15.4618 -15.4618 -15.4467 -15.4467 -6.2949 -6.2949 -5.5856 -5.5856 -3.6130 -3.6130 -3.5254 -3.5254 -3.1770 -3.1770 -2.6725 -2.6725 -2.3730 -2.3730 -2.2730 -2.2730 -0.6209 -0.6209 -0.3500 -0.3500 -0.3152 -0.3152 -0.0257 -0.0257 0.0179 0.0179 0.2623 0.2623 0.4742 0.4742 0.7620 0.7620 0.9574 0.9574 1.0854 1.0854 1.6502 1.6502 1.6545 1.6545 6.6904 6.6904 7.1150 7.1150 7.2208 7.2208 9.3411 9.3411 9.3707 9.3707 k = 0.4333 0.4041 0.4856 ( 5714 PWs) bands (ev): -17.6749 -17.6749 -17.5946 -17.5946 -15.7279 -15.7279 -15.5960 -15.5960 -15.4632 -15.4632 -15.4498 -15.4498 -6.2790 -6.2790 -5.6163 -5.6163 -3.6036 -3.6036 -3.4826 -3.4826 -3.1729 -3.1729 -2.6831 -2.6831 -2.3788 -2.3788 -2.2998 -2.2998 -0.6083 -0.6083 -0.3640 -0.3640 -0.3310 -0.3310 -0.0023 -0.0023 0.0478 0.0478 0.2721 0.2721 0.4711 0.4711 0.7600 0.7600 0.9405 0.9405 1.0543 1.0543 1.6454 1.6454 1.6488 1.6488 6.7157 6.7157 7.1196 7.1196 7.2144 7.2144 9.3499 9.3499 9.3746 9.3746 k = 0.4250 0.4186 0.4856 ( 5726 PWs) bands (ev): -17.6717 -17.6717 -17.5972 -17.5972 -15.7288 -15.7288 -15.5912 -15.5912 -15.4657 -15.4657 -15.4522 -15.4522 -6.2614 -6.2614 -5.6489 -5.6489 -3.5934 -3.5934 -3.4370 -3.4370 -3.1681 -3.1681 -2.6945 -2.6945 -2.3873 -2.3873 -2.3269 -2.3269 -0.5950 -0.5950 -0.3774 -0.3774 -0.3456 -0.3456 0.0217 0.0217 0.0785 0.0785 0.2828 0.2828 0.4674 0.4674 0.7581 0.7581 0.9226 0.9226 1.0187 1.0187 1.6374 1.6374 1.6465 1.6465 6.7428 6.7428 7.1240 7.1240 7.2077 7.2077 9.3586 9.3586 9.3807 9.3807 k = 0.4167 0.4330 0.4856 ( 5728 PWs) bands (ev): -17.6684 -17.6684 -17.6000 -17.6000 -15.7298 -15.7298 -15.5861 -15.5861 -15.4694 -15.4694 -15.4538 -15.4538 -6.2421 -6.2421 -5.6826 -5.6826 -3.5828 -3.5828 -3.3896 -3.3896 -3.1624 -3.1624 -2.7065 -2.7065 -2.4017 -2.4017 -2.3509 -2.3509 -0.5812 -0.5812 -0.3899 -0.3899 -0.3591 -0.3591 0.0462 0.0462 0.1099 0.1099 0.2941 0.2941 0.4631 0.4631 0.7562 0.7562 0.9040 0.9040 0.9786 0.9786 1.6303 1.6303 1.6436 1.6436 6.7712 6.7712 7.1277 7.1277 7.2010 7.2010 9.3670 9.3670 9.3891 9.3892 k = 0.4083 0.4474 0.4856 ( 5720 PWs) bands (ev): -17.6648 -17.6648 -17.6030 -17.6030 -15.7309 -15.7309 -15.5807 -15.5807 -15.4741 -15.4741 -15.4548 -15.4548 -6.2214 -6.2214 -5.7171 -5.7171 -3.5719 -3.5719 -3.3412 -3.3412 -3.1558 -3.1558 -2.7188 -2.7188 -2.4256 -2.4256 -2.3677 -2.3677 -0.5673 -0.5673 -0.4014 -0.4014 -0.3714 -0.3714 0.0713 0.0713 0.1420 0.1420 0.3059 0.3059 0.4581 0.4581 0.7545 0.7545 0.8851 0.8851 0.9346 0.9346 1.6242 1.6242 1.6403 1.6403 6.8002 6.8002 7.1300 7.1300 7.1950 7.1950 9.3756 9.3756 9.3993 9.3993 k = 0.4000 0.4619 0.4856 ( 5716 PWs) bands (ev): -17.6611 -17.6611 -17.6061 -17.6061 -15.7320 -15.7320 -15.5750 -15.5750 -15.4794 -15.4794 -15.4553 -15.4553 -6.1994 -6.1994 -5.7519 -5.7519 -3.5610 -3.5610 -3.2928 -3.2928 -3.1481 -3.1481 -2.7309 -2.7309 -2.4573 -2.4573 -2.3784 -2.3784 -0.5535 -0.5535 -0.4120 -0.4120 -0.3826 -0.3826 0.0967 0.0967 0.1745 0.1745 0.3179 0.3179 0.4527 0.4527 0.7530 0.7530 0.8657 0.8657 0.8875 0.8875 1.6192 1.6192 1.6365 1.6365 6.8295 6.8295 7.1298 7.1298 7.1906 7.1906 9.3848 9.3848 9.4106 9.4106 k = 0.3917 0.4763 0.4856 ( 5716 PWs) bands (ev): -17.6573 -17.6573 -17.6093 -17.6093 -15.7331 -15.7331 -15.5691 -15.5691 -15.4851 -15.4851 -15.4556 -15.4556 -6.1763 -6.1763 -5.7865 -5.7865 -3.5504 -3.5504 -3.2456 -3.2456 -3.1394 -3.1394 -2.7422 -2.7422 -2.4928 -2.4928 -2.3865 -2.3865 -0.5401 -0.5401 -0.4214 -0.4214 -0.3927 -0.3927 0.1225 0.1225 0.2074 0.2074 0.3299 0.3299 0.4467 0.4467 0.7517 0.7517 0.8335 0.8335 0.8506 0.8506 1.6153 1.6153 1.6323 1.6323 6.8585 6.8585 7.1264 7.1264 7.1884 7.1884 9.3951 9.3951 9.4221 9.4221 k = 0.3833 0.4907 0.4856 ( 5708 PWs) bands (ev): -17.6534 -17.6534 -17.6126 -17.6126 -15.7342 -15.7342 -15.5630 -15.5630 -15.4911 -15.4911 -15.4558 -15.4558 -6.1522 -6.1522 -5.8207 -5.8207 -3.5404 -3.5404 -3.2009 -3.2009 -3.1296 -3.1296 -2.7519 -2.7519 -2.5299 -2.5299 -2.3935 -2.3935 -0.5274 -0.5274 -0.4296 -0.4296 -0.4017 -0.4017 0.1484 0.1484 0.2403 0.2403 0.3418 0.3418 0.4405 0.4405 0.7499 0.7499 0.7823 0.7823 0.8318 0.8318 1.6124 1.6124 1.6279 1.6279 6.8869 6.8869 7.1195 7.1195 7.1886 7.1886 9.4063 9.4063 9.4334 9.4334 k = 0.3750 0.5052 0.4856 ( 5708 PWs) bands (ev): -17.6495 -17.6495 -17.6159 -17.6159 -15.7352 -15.7352 -15.5569 -15.5569 -15.4972 -15.4972 -15.4559 -15.4559 -6.1274 -6.1274 -5.8540 -5.8540 -3.5313 -3.5313 -3.1602 -3.1602 -3.1189 -3.1189 -2.7591 -2.7591 -2.5673 -2.5673 -2.4000 -2.4000 -0.5156 -0.5156 -0.4364 -0.4364 -0.4097 -0.4097 0.1745 0.1745 0.2729 0.2729 0.3533 0.3533 0.4343 0.4343 0.7231 0.7231 0.7538 0.7538 0.8152 0.8152 1.6103 1.6103 1.6236 1.6236 6.9140 6.9140 7.1099 7.1099 7.1904 7.1904 9.4184 9.4184 9.4442 9.4442 k = 0.3667 0.5196 0.4856 ( 5694 PWs) bands (ev): -17.6457 -17.6457 -17.6191 -17.6191 -15.7362 -15.7362 -15.5507 -15.5507 -15.5033 -15.5033 -15.4560 -15.4560 -6.1021 -6.1021 -5.8862 -5.8862 -3.5234 -3.5234 -3.1257 -3.1257 -3.1074 -3.1074 -2.7623 -2.7623 -2.6039 -2.6039 -2.4060 -2.4060 -0.5052 -0.5052 -0.4416 -0.4416 -0.4168 -0.4168 0.2002 0.2002 0.3042 0.3042 0.3647 0.3647 0.4288 0.4288 0.6680 0.6680 0.7529 0.7529 0.8001 0.8001 1.6090 1.6090 1.6194 1.6194 6.9396 6.9396 7.0983 7.0983 7.1930 7.1930 9.4306 9.4306 9.4540 9.4540 k = 0.3583 0.5340 0.4856 ( 5690 PWs) bands (ev): -17.6421 -17.6421 -17.6224 -17.6224 -15.7371 -15.7371 -15.5445 -15.5445 -15.5094 -15.5094 -15.4560 -15.4560 -6.0765 -6.0765 -5.9171 -5.9171 -3.5169 -3.5169 -3.1002 -3.1002 -3.0947 -3.0947 -2.7606 -2.7606 -2.6386 -2.6386 -2.4113 -2.4113 -0.4968 -0.4968 -0.4448 -0.4448 -0.4231 -0.4231 0.2251 0.2251 0.3320 0.3320 0.3763 0.3763 0.4252 0.4252 0.6121 0.6121 0.7537 0.7537 0.7869 0.7869 1.6082 1.6082 1.6156 1.6156 6.9630 6.9630 7.0856 7.0856 7.1957 7.1957 9.4421 9.4421 9.4626 9.4626 k = 0.3500 0.5485 0.4856 ( 5698 PWs) bands (ev): -17.6386 -17.6386 -17.6255 -17.6255 -15.7377 -15.7377 -15.5385 -15.5385 -15.5153 -15.5153 -15.4561 -15.4561 -6.0510 -6.0510 -5.9463 -5.9463 -3.5121 -3.5121 -3.0867 -3.0867 -3.0798 -3.0798 -2.7533 -2.7533 -2.6697 -2.6697 -2.4158 -2.4158 -0.4908 -0.4908 -0.4455 -0.4455 -0.4287 -0.4287 0.2480 0.2480 0.3521 0.3521 0.3880 0.3880 0.4278 0.4278 0.5578 0.5578 0.7552 0.7552 0.7762 0.7762 1.6080 1.6080 1.6125 1.6125 6.9834 6.9834 7.0728 7.0728 7.1980 7.1980 9.4516 9.4516 9.4697 9.4697 k = 0.3417 0.5629 0.4856 ( 5698 PWs) bands (ev): -17.6356 -17.6356 -17.6283 -17.6283 -15.7382 -15.7382 -15.5327 -15.5327 -15.5211 -15.5211 -15.4561 -15.4561 -6.0260 -6.0260 -5.9734 -5.9734 -3.5091 -3.5091 -3.0776 -3.0776 -3.0717 -3.0717 -2.7422 -2.7422 -2.6949 -2.6949 -2.4190 -2.4190 -0.4876 -0.4876 -0.4438 -0.4438 -0.4336 -0.4336 0.2662 0.2662 0.3624 0.3624 0.3945 0.3945 0.4437 0.4437 0.5085 0.5085 0.7568 0.7568 0.7687 0.7687 1.6080 1.6080 1.6104 1.6104 6.9989 6.9989 7.0618 7.0618 7.1995 7.1995 9.4578 9.4578 9.4749 9.4749 k = 0.3333 0.5774 0.4856 ( 5694 PWs) bands (ev): -17.6340 -17.6340 -17.6299 -17.6299 -15.7383 -15.7383 -15.5281 -15.5281 -15.5256 -15.5256 -15.4561 -15.4561 -6.0070 -6.0070 -5.9931 -5.9931 -3.5081 -3.5081 -3.0723 -3.0723 -3.0713 -3.0713 -2.7351 -2.7351 -2.7065 -2.7065 -2.4202 -2.4202 -0.4867 -0.4867 -0.4415 -0.4415 -0.4368 -0.4368 0.2742 0.2742 0.3653 0.3653 0.3955 0.3955 0.4700 0.4700 0.4708 0.4708 0.7576 0.7576 0.7659 0.7659 1.6080 1.6080 1.6096 1.6096 7.0053 7.0053 7.0570 7.0570 7.2001 7.2001 9.4599 9.4599 9.4769 9.4769 k = 0.3333 0.5774 0.4856 ( 5694 PWs) bands (ev): -17.6340 -17.6340 -17.6299 -17.6299 -15.7383 -15.7383 -15.5281 -15.5281 -15.5256 -15.5256 -15.4561 -15.4561 -6.0070 -6.0070 -5.9931 -5.9931 -3.5081 -3.5081 -3.0723 -3.0723 -3.0713 -3.0713 -2.7351 -2.7351 -2.7065 -2.7065 -2.4202 -2.4202 -0.4867 -0.4867 -0.4415 -0.4415 -0.4368 -0.4368 0.2742 0.2742 0.3653 0.3653 0.3955 0.3955 0.4700 0.4700 0.4708 0.4708 0.7576 0.7576 0.7659 0.7659 1.6080 1.6080 1.6096 1.6096 7.0053 7.0053 7.0570 7.0570 7.2001 7.2001 9.4599 9.4599 9.4769 9.4769 k = 0.3248 0.5625 0.4856 ( 5696 PWs) bands (ev): -17.6355 -17.6355 -17.6284 -17.6284 -15.7382 -15.7382 -15.5325 -15.5325 -15.5212 -15.5212 -15.4561 -15.4561 -6.0252 -6.0252 -5.9742 -5.9742 -3.5092 -3.5092 -3.0787 -3.0787 -3.0707 -3.0707 -2.7399 -2.7399 -2.6975 -2.6975 -2.4187 -2.4187 -0.4874 -0.4874 -0.4446 -0.4446 -0.4331 -0.4331 0.2631 0.2631 0.3628 0.3628 0.3955 0.3955 0.4522 0.4522 0.5019 0.5019 0.7578 0.7578 0.7679 0.7679 1.6083 1.6083 1.6101 1.6101 6.9992 6.9992 7.0615 7.0615 7.1995 7.1995 9.4575 9.4575 9.4746 9.4746 k = 0.3162 0.5477 0.4856 ( 5690 PWs) bands (ev): -17.6379 -17.6379 -17.6263 -17.6263 -15.7375 -15.7375 -15.5378 -15.5378 -15.5162 -15.5162 -15.4560 -15.4560 -6.0466 -6.0466 -5.9509 -5.9509 -3.5125 -3.5125 -3.0906 -3.0906 -3.0751 -3.0751 -2.7423 -2.7423 -2.6838 -2.6838 -2.4137 -2.4137 -0.4891 -0.4891 -0.4496 -0.4496 -0.4273 -0.4273 0.2312 0.2312 0.3559 0.3559 0.3965 0.3965 0.4568 0.4568 0.5346 0.5346 0.7605 0.7605 0.7720 0.7720 1.6097 1.6097 1.6113 1.6113 6.9855 6.9855 7.0705 7.0705 7.1975 7.1975 9.4499 9.4499 9.4682 9.4682 k = 0.3077 0.5329 0.4856 ( 5690 PWs) bands (ev): -17.6403 -17.6403 -17.6245 -17.6245 -15.7364 -15.7364 -15.5427 -15.5427 -15.5116 -15.5116 -15.4559 -15.4559 -6.0659 -6.0659 -5.9287 -5.9287 -3.5180 -3.5180 -3.1060 -3.1060 -3.0848 -3.0848 -2.7371 -2.7371 -2.6728 -2.6728 -2.4051 -2.4051 -0.4916 -0.4916 -0.4551 -0.4551 -0.4211 -0.4211 0.1875 0.1875 0.3454 0.3454 0.3992 0.3992 0.4757 0.4757 0.5673 0.5673 0.7666 0.7666 0.7773 0.7773 1.6113 1.6113 1.6140 1.6140 6.9687 6.9687 7.0792 7.0792 7.1943 7.1943 9.4366 9.4366 9.4588 9.4588 k = 0.2991 0.5181 0.4856 ( 5694 PWs) bands (ev): -17.6424 -17.6424 -17.6231 -17.6231 -15.7348 -15.7348 -15.5474 -15.5474 -15.5075 -15.5075 -15.4556 -15.4556 -6.0828 -6.0828 -5.9081 -5.9081 -3.5257 -3.5257 -3.1240 -3.1240 -3.0984 -3.0984 -2.7249 -2.7249 -2.6663 -2.6663 -2.3931 -2.3931 -0.4951 -0.4951 -0.4615 -0.4615 -0.4147 -0.4147 0.1398 0.1398 0.3317 0.3317 0.4043 0.4043 0.5019 0.5019 0.5994 0.5994 0.7759 0.7759 0.7839 0.7839 1.6126 1.6126 1.6188 1.6188 6.9507 6.9507 7.0860 7.0860 7.1899 7.1899 9.4184 9.4184 9.4473 9.4473 k = 0.2906 0.5033 0.4856 ( 5706 PWs) bands (ev): -17.6444 -17.6444 -17.6221 -17.6221 -15.7325 -15.7325 -15.5517 -15.5517 -15.5042 -15.5042 -15.4552 -15.4552 -6.0970 -6.0970 -5.8894 -5.8894 -3.5354 -3.5354 -3.1436 -3.1436 -3.1142 -3.1142 -2.7080 -2.7080 -2.6637 -2.6637 -2.3787 -2.3787 -0.4999 -0.4999 -0.4690 -0.4690 -0.4081 -0.4081 0.0923 0.0923 0.3153 0.3153 0.4120 0.4120 0.5317 0.5317 0.6305 0.6305 0.7856 0.7856 0.7942 0.7942 1.6139 1.6139 1.6255 1.6255 6.9321 6.9321 7.0900 7.0900 7.1846 7.1846 9.3971 9.3971 9.4334 9.4334 k = 0.2821 0.4885 0.4856 ( 5712 PWs) bands (ev): -17.6461 -17.6461 -17.6218 -17.6218 -15.7296 -15.7296 -15.5558 -15.5558 -15.5015 -15.5015 -15.4545 -15.4545 -6.1086 -6.1086 -5.8731 -5.8731 -3.5468 -3.5468 -3.1643 -3.1643 -3.1305 -3.1305 -2.6911 -2.6911 -2.6614 -2.6614 -2.3632 -2.3632 -0.5065 -0.5065 -0.4778 -0.4778 -0.4010 -0.4010 0.0475 0.0475 0.2970 0.2970 0.4227 0.4227 0.5636 0.5636 0.6604 0.6604 0.7933 0.7933 0.8102 0.8102 1.6153 1.6153 1.6342 1.6342 6.9133 6.9133 7.0905 7.0905 7.1787 7.1787 9.3742 9.3742 9.4173 9.4173 k = 0.2735 0.4737 0.4856 ( 5712 PWs) bands (ev): -17.6474 -17.6474 -17.6220 -17.6220 -15.7260 -15.7260 -15.5595 -15.5595 -15.4997 -15.4997 -15.4536 -15.4536 -6.1175 -6.1175 -5.8594 -5.8594 -3.5596 -3.5596 -3.1859 -3.1859 -3.1461 -3.1461 -2.6864 -2.6864 -2.6481 -2.6481 -2.3479 -2.3479 -0.5156 -0.5156 -0.4883 -0.4883 -0.3934 -0.3934 0.0069 0.0069 0.2775 0.2775 0.4363 0.4363 0.5967 0.5967 0.6890 0.6890 0.8005 0.8005 0.8301 0.8301 1.6169 1.6169 1.6447 1.6447 6.8944 6.8944 7.0872 7.0872 7.1727 7.1727 9.3508 9.3508 9.3988 9.3988 k = 0.2650 0.4589 0.4856 ( 5712 PWs) bands (ev): -17.6485 -17.6485 -17.6228 -17.6228 -15.7217 -15.7217 -15.5628 -15.5628 -15.4987 -15.4987 -15.4525 -15.4525 -6.1236 -6.1236 -5.8484 -5.8484 -3.5734 -3.5734 -3.2079 -3.2079 -3.1603 -3.1603 -2.6933 -2.6933 -2.6248 -2.6248 -2.3340 -2.3340 -0.5279 -0.5279 -0.5008 -0.5008 -0.3849 -0.3849 -0.0283 -0.0283 0.2578 0.2578 0.4529 0.4529 0.6304 0.6304 0.7161 0.7161 0.8076 0.8076 0.8529 0.8529 1.6186 1.6186 1.6570 1.6570 6.8757 6.8757 7.0797 7.0797 7.1669 7.1669 9.3277 9.3277 9.3784 9.3784 k = 0.2564 0.4441 0.4856 ( 5716 PWs) bands (ev): -17.6493 -17.6493 -17.6242 -17.6242 -15.7166 -15.7166 -15.5658 -15.5658 -15.4985 -15.4985 -15.4511 -15.4511 -6.1270 -6.1270 -5.8406 -5.8406 -3.5876 -3.5876 -3.2302 -3.2302 -3.1726 -3.1726 -2.7047 -2.7047 -2.5987 -2.5987 -2.3221 -2.3221 -0.5439 -0.5439 -0.5155 -0.5155 -0.3754 -0.3754 -0.0570 -0.0570 0.2386 0.2386 0.4722 0.4722 0.6642 0.6642 0.7420 0.7420 0.8151 0.8151 0.8778 0.8778 1.6205 1.6205 1.6710 1.6710 6.8573 6.8573 7.0682 7.0682 7.1612 7.1612 9.3056 9.3056 9.3561 9.3561 k = 0.2479 0.4293 0.4856 ( 5728 PWs) bands (ev): -17.6498 -17.6498 -17.6262 -17.6262 -15.7109 -15.7109 -15.5685 -15.5685 -15.4992 -15.4992 -15.4495 -15.4495 -6.1276 -6.1276 -5.8360 -5.8360 -3.6017 -3.6017 -3.2526 -3.2526 -3.1828 -3.1828 -2.7186 -2.7186 -2.5724 -2.5724 -2.3130 -2.3130 -0.5640 -0.5640 -0.5327 -0.5327 -0.3645 -0.3645 -0.0787 -0.0787 0.2206 0.2206 0.4942 0.4942 0.6977 0.6977 0.7667 0.7667 0.8230 0.8230 0.9045 0.9045 1.6227 1.6227 1.6866 1.6866 6.8393 6.8393 7.0530 7.0530 7.1554 7.1554 9.2849 9.2849 9.3324 9.3324 k = 0.2393 0.4145 0.4856 ( 5726 PWs) bands (ev): -17.6499 -17.6499 -17.6288 -17.6288 -15.7044 -15.7044 -15.5709 -15.5709 -15.5006 -15.5006 -15.4477 -15.4477 -6.1254 -6.1254 -5.8348 -5.8348 -3.6153 -3.6153 -3.2749 -3.2749 -3.1908 -3.1908 -2.7344 -2.7344 -2.5468 -2.5468 -2.3068 -2.3068 -0.5881 -0.5881 -0.5526 -0.5526 -0.3522 -0.3522 -0.0933 -0.0933 0.2045 0.2045 0.5184 0.5184 0.7299 0.7299 0.7906 0.7906 0.8319 0.8319 0.9325 0.9325 1.6253 1.6253 1.7038 1.7038 6.8219 6.8219 7.0346 7.0346 7.1492 7.1492 9.2660 9.2660 9.3075 9.3075 k = 0.2308 0.3997 0.4856 ( 5722 PWs) bands (ev): -17.6498 -17.6498 -17.6320 -17.6320 -15.6973 -15.6973 -15.5728 -15.5728 -15.5027 -15.5027 -15.4459 -15.4459 -6.1205 -6.1205 -5.8370 -5.8370 -3.6279 -3.6279 -3.2971 -3.2971 -3.1966 -3.1966 -2.7517 -2.7517 -2.5227 -2.5227 -2.3038 -2.3038 -0.6157 -0.6157 -0.5754 -0.5754 -0.3382 -0.3382 -0.1012 -0.1012 0.1907 0.1907 0.5447 0.5447 0.7595 0.7595 0.8138 0.8138 0.8430 0.8430 0.9613 0.9613 1.6283 1.6283 1.7223 1.7223 6.8052 6.8052 7.0135 7.0135 7.1422 7.1422 9.2492 9.2492 9.2819 9.2819 k = 0.2222 0.3849 0.4856 ( 5738 PWs) bands (ev): -17.6493 -17.6493 -17.6357 -17.6357 -15.6896 -15.6896 -15.5743 -15.5743 -15.5054 -15.5054 -15.4440 -15.4440 -6.1129 -6.1129 -5.8426 -5.8426 -3.6392 -3.6392 -3.3191 -3.3191 -3.2003 -3.2003 -2.7703 -2.7703 -2.5005 -2.5005 -2.3040 -2.3040 -0.6462 -0.6462 -0.6009 -0.6009 -0.3225 -0.3225 -0.1028 -0.1028 0.1795 0.1795 0.5725 0.5725 0.7841 0.7841 0.8366 0.8366 0.8585 0.8585 0.9907 0.9907 1.6319 1.6319 1.7420 1.7420 6.7891 6.7891 6.9902 6.9902 7.1341 7.1341 9.2345 9.2345 9.2560 9.2560 k = 0.2137 0.3701 0.4856 ( 5726 PWs) bands (ev): -17.6487 -17.6487 -17.6398 -17.6398 -15.6815 -15.6815 -15.5753 -15.5753 -15.5086 -15.5086 -15.4422 -15.4422 -6.1027 -6.1027 -5.8517 -5.8517 -3.6490 -3.6490 -3.3407 -3.3407 -3.2019 -3.2019 -2.7902 -2.7902 -2.4805 -2.4805 -2.3071 -2.3071 -0.6789 -0.6789 -0.6292 -0.6292 -0.3050 -0.3050 -0.0988 -0.0988 0.1712 0.1712 0.6016 0.6016 0.8018 0.8018 0.8589 0.8589 0.8802 0.8802 1.0204 1.0204 1.6361 1.6361 1.7629 1.7629 6.7739 6.7739 6.9650 6.9650 7.1248 7.1248 9.2201 9.2201 9.2320 9.2320 k = 0.2051 0.3553 0.4856 ( 5734 PWs) bands (ev): -17.6482 -17.6482 -17.6438 -17.6438 -15.6731 -15.6731 -15.5758 -15.5758 -15.5124 -15.5124 -15.4404 -15.4404 -6.0900 -6.0900 -5.8640 -5.8640 -3.6571 -3.6571 -3.3620 -3.3620 -3.2015 -3.2015 -2.8111 -2.8111 -2.4632 -2.4632 -2.3131 -2.3131 -0.7129 -0.7129 -0.6599 -0.6599 -0.2859 -0.2859 -0.0900 -0.0900 0.1658 0.1658 0.6315 0.6315 0.8132 0.8132 0.8809 0.8809 0.9074 0.9074 1.0502 1.0502 1.6410 1.6410 1.7846 1.7846 6.7595 6.7595 6.9383 6.9383 7.1142 7.1142 9.1984 9.1984 9.2180 9.2180 k = 0.1966 0.3405 0.4856 ( 5734 PWs) bands (ev): -17.6508 -17.6508 -17.6451 -17.6451 -15.6645 -15.6645 -15.5756 -15.5756 -15.5166 -15.5166 -15.4386 -15.4386 -6.0747 -6.0747 -5.8793 -5.8793 -3.6636 -3.6636 -3.3828 -3.3828 -3.1989 -3.1989 -2.8332 -2.8332 -2.4487 -2.4487 -2.3215 -2.3215 -0.7477 -0.7477 -0.6927 -0.6927 -0.2654 -0.2654 -0.0769 -0.0769 0.1631 0.1631 0.6617 0.6617 0.8206 0.8206 0.9030 0.9030 0.9375 0.9375 1.0799 1.0799 1.6467 1.6467 1.8070 1.8070 6.7460 6.7460 6.9104 6.9104 7.1020 7.1020 9.1722 9.1722 9.2114 9.2114 k = 0.1880 0.3257 0.4856 ( 5734 PWs) bands (ev): -17.6559 -17.6559 -17.6438 -17.6438 -15.6561 -15.6561 -15.5745 -15.5745 -15.5212 -15.5212 -15.4370 -15.4370 -6.0572 -6.0572 -5.8975 -5.8975 -3.6685 -3.6685 -3.4031 -3.4031 -3.1944 -3.1944 -2.8565 -2.8565 -2.4371 -2.4371 -2.3321 -2.3321 -0.7828 -0.7828 -0.7272 -0.7272 -0.2438 -0.2438 -0.0601 -0.0601 0.1630 0.1630 0.6918 0.6918 0.8256 0.8256 0.9253 0.9253 0.9687 0.9687 1.1095 1.1095 1.6533 1.6533 1.8300 1.8300 6.7333 6.7333 6.8816 6.8816 7.0884 7.0884 9.1455 9.1455 9.2086 9.2086 k = 0.1795 0.3109 0.4856 ( 5720 PWs) bands (ev): -17.6616 -17.6616 -17.6421 -17.6421 -15.6482 -15.6482 -15.5724 -15.5724 -15.5261 -15.5261 -15.4354 -15.4354 -6.0374 -6.0374 -5.9180 -5.9180 -3.6720 -3.6720 -3.4228 -3.4228 -3.1878 -3.1878 -2.8809 -2.8809 -2.4286 -2.4286 -2.3443 -2.3443 -0.8178 -0.8178 -0.7631 -0.7631 -0.2213 -0.2213 -0.0399 -0.0399 0.1651 0.1651 0.7213 0.7213 0.8293 0.8293 0.9480 0.9480 1.0001 1.0001 1.1387 1.1387 1.6609 1.6609 1.8533 1.8533 6.7214 6.7214 6.8522 6.8522 7.0733 7.0733 9.1186 9.1186 9.2091 9.2091 k = 0.1709 0.2961 0.4856 ( 5720 PWs) bands (ev): -17.6677 -17.6677 -17.6400 -17.6400 -15.6411 -15.6411 -15.5689 -15.5689 -15.5313 -15.5313 -15.4340 -15.4340 -6.0157 -6.0157 -5.9406 -5.9406 -3.6742 -3.6742 -3.4420 -3.4420 -3.1792 -3.1792 -2.9065 -2.9065 -2.4233 -2.4233 -2.3576 -2.3576 -0.8523 -0.8523 -0.7998 -0.7998 -0.1984 -0.1984 -0.0168 -0.0168 0.1692 0.1692 0.7498 0.7498 0.8322 0.8322 0.9712 0.9712 1.0311 1.0311 1.1675 1.1675 1.6695 1.6695 1.8768 1.8768 6.7102 6.7102 6.8227 6.8227 7.0566 7.0566 9.0916 9.0916 9.2129 9.2129 k = 0.1624 0.2813 0.4856 ( 5724 PWs) bands (ev): -17.6740 -17.6740 -17.6377 -17.6377 -15.6350 -15.6350 -15.5641 -15.5641 -15.5366 -15.5366 -15.4326 -15.4326 -5.9932 -5.9932 -5.9639 -5.9639 -3.6754 -3.6754 -3.4606 -3.4606 -3.1686 -3.1686 -2.9332 -2.9332 -2.4215 -2.4215 -2.3712 -2.3712 -0.8863 -0.8863 -0.8370 -0.8370 -0.1754 -0.1754 0.0088 0.0088 0.1749 0.1749 0.7769 0.7769 0.8347 0.8347 0.9949 0.9949 1.0612 1.0612 1.1957 1.1957 1.6791 1.6791 1.9004 1.9004 6.6993 6.6993 6.7935 6.7935 7.0384 7.0384 9.0642 9.0642 9.2201 9.2201 k = 0.1538 0.2665 0.4856 ( 5720 PWs) bands (ev): -17.6804 -17.6804 -17.6353 -17.6353 -15.6302 -15.6302 -15.5583 -15.5583 -15.5416 -15.5416 -15.4313 -15.4313 -5.9945 -5.9945 -5.9631 -5.9631 -3.6758 -3.6758 -3.4786 -3.4786 -3.1561 -3.1561 -2.9611 -2.9611 -2.4235 -2.4235 -2.3842 -2.3842 -0.9195 -0.9195 -0.8742 -0.8742 -0.1526 -0.1526 0.0362 0.0362 0.1820 0.1820 0.8023 0.8023 0.8373 0.8373 1.0193 1.0193 1.0903 1.0903 1.2233 1.2233 1.6898 1.6898 1.9239 1.9239 6.6881 6.6881 6.7655 6.7655 7.0188 7.0188 9.0362 9.0362 9.2306 9.2306 k = 0.1453 0.2517 0.4856 ( 5720 PWs) bands (ev): -17.6869 -17.6869 -17.6327 -17.6327 -15.6267 -15.6267 -15.5541 -15.5541 -15.5436 -15.5436 -15.4302 -15.4302 -6.0204 -6.0204 -5.9372 -5.9372 -3.6756 -3.6756 -3.4959 -3.4959 -3.1418 -3.1418 -2.9899 -2.9899 -2.4300 -2.4300 -2.3954 -2.3954 -0.9519 -0.9519 -0.9110 -0.9110 -0.1301 -0.1301 0.0649 0.0649 0.1900 0.1900 0.8257 0.8257 0.8404 0.8404 1.0442 1.0442 1.1180 1.1180 1.2502 1.2502 1.7015 1.7015 1.9470 1.9470 6.6753 6.6753 6.7401 6.7401 6.9979 6.9979 9.0073 9.0073 9.2444 9.2444 k = 0.1368 0.2369 0.4856 ( 5716 PWs) bands (ev): -17.6935 -17.6935 -17.6300 -17.6300 -15.6241 -15.6241 -15.5569 -15.5569 -15.5376 -15.5376 -15.4290 -15.4290 -6.0480 -6.0480 -5.9088 -5.9088 -3.6751 -3.6751 -3.5125 -3.5125 -3.1262 -3.1262 -3.0194 -3.0194 -2.4407 -2.4407 -2.4046 -2.4046 -0.9833 -0.9833 -0.9472 -0.9472 -0.1081 -0.1081 0.0940 0.0940 0.1988 0.1988 0.8422 0.8422 0.8491 0.8491 1.0695 1.0695 1.1443 1.1443 1.2761 1.2761 1.7143 1.7143 1.9697 1.9697 6.6591 6.6591 6.7195 6.7195 6.9757 6.9757 8.9773 8.9773 9.2614 9.2614 k = 0.1282 0.2221 0.4856 ( 5720 PWs) bands (ev): -17.7000 -17.7000 -17.6272 -17.6272 -15.6223 -15.6223 -15.5623 -15.5623 -15.5284 -15.5284 -15.4280 -15.4280 -6.0761 -6.0761 -5.8792 -5.8792 -3.6743 -3.6743 -3.5285 -3.5285 -3.1105 -3.1105 -3.0482 -3.0482 -2.4538 -2.4538 -2.4129 -2.4129 -1.0136 -1.0136 -0.9823 -0.9823 -0.0868 -0.0868 0.1229 0.1229 0.2082 0.2082 0.8476 0.8476 0.8679 0.8679 1.0950 1.0950 1.1690 1.1690 1.3011 1.3011 1.7281 1.7281 1.9918 1.9918 6.6382 6.6382 6.7048 6.7048 6.9526 6.9526 8.9459 8.9459 9.2815 9.2815 k = 0.1197 0.2073 0.4856 ( 5720 PWs) bands (ev): -17.7063 -17.7063 -17.6244 -17.6244 -15.6212 -15.6212 -15.5681 -15.5681 -15.5182 -15.5182 -15.4270 -15.4270 -6.1042 -6.1042 -5.8487 -5.8487 -3.6734 -3.6734 -3.5437 -3.5437 -3.1034 -3.1034 -3.0675 -3.0675 -2.4679 -2.4679 -2.4212 -2.4212 -1.0429 -1.0429 -1.0161 -1.0161 -0.0661 -0.0661 0.1507 0.1507 0.2178 0.2178 0.8535 0.8535 0.8856 0.8856 1.1205 1.1205 1.1920 1.1920 1.3250 1.3250 1.7428 1.7428 2.0132 2.0132 6.6139 6.6139 6.6951 6.6951 6.9286 6.9286 8.9131 8.9131 9.3046 9.3046 k = 0.1111 0.1925 0.4856 ( 5724 PWs) bands (ev): -17.7125 -17.7125 -17.6215 -17.6215 -15.6204 -15.6204 -15.5739 -15.5739 -15.5078 -15.5078 -15.4260 -15.4260 -6.1319 -6.1319 -5.8176 -5.8176 -3.6726 -3.6726 -3.5583 -3.5583 -3.1239 -3.1239 -3.0584 -3.0584 -2.4822 -2.4822 -2.4302 -2.4302 -1.0710 -1.0710 -1.0484 -1.0484 -0.0461 -0.0461 0.1765 0.1765 0.2277 0.2277 0.8608 0.8608 0.9016 0.9016 1.1456 1.1456 1.2132 1.2132 1.3476 1.3476 1.7582 1.7582 2.0337 2.0337 6.5880 6.5880 6.6887 6.6887 6.9042 6.9042 8.8792 8.8792 9.3305 9.3305 k = 0.1026 0.1776 0.4856 ( 5714 PWs) bands (ev): -17.7185 -17.7185 -17.6187 -17.6187 -15.6200 -15.6200 -15.5797 -15.5797 -15.4974 -15.4974 -15.4251 -15.4251 -6.1589 -6.1589 -5.7864 -5.7864 -3.6718 -3.6718 -3.5722 -3.5722 -3.1542 -3.1542 -3.0387 -3.0387 -2.4960 -2.4960 -2.4398 -2.4398 -1.0978 -1.0978 -1.0790 -1.0790 -0.0270 -0.0270 0.1998 0.1998 0.2377 0.2377 0.8697 0.8697 0.9160 0.9160 1.1700 1.1700 1.2326 1.2326 1.3690 1.3690 1.7742 1.7742 2.0532 2.0532 6.5618 6.5618 6.6843 6.6843 6.8796 6.8796 8.8446 8.8446 9.3590 9.3590 k = 0.0940 0.1628 0.4856 ( 5718 PWs) bands (ev): -17.7242 -17.7242 -17.6160 -17.6160 -15.6197 -15.6197 -15.5852 -15.5852 -15.4873 -15.4873 -15.4242 -15.4242 -6.1848 -6.1848 -5.7552 -5.7552 -3.6711 -3.6711 -3.5854 -3.5854 -3.1858 -3.1858 -3.0166 -3.0166 -2.5091 -2.5091 -2.4500 -2.4500 -1.1232 -1.1232 -1.1075 -1.1075 -0.0087 -0.0087 0.2198 0.2198 0.2479 0.2479 0.8801 0.8801 0.9289 0.9289 1.1935 1.1935 1.2501 1.2501 1.3889 1.3889 1.7905 1.7905 2.0717 2.0717 6.5361 6.5361 6.6811 6.6811 6.8551 6.8551 8.8098 8.8098 9.3897 9.3897 k = 0.0855 0.1480 0.4856 ( 5718 PWs) bands (ev): -17.7296 -17.7296 -17.6133 -17.6133 -15.6196 -15.6196 -15.5906 -15.5906 -15.4777 -15.4777 -15.4233 -15.4233 -6.2095 -6.2095 -5.7246 -5.7246 -3.6706 -3.6706 -3.5979 -3.5979 -3.2173 -3.2173 -2.9936 -2.9936 -2.5215 -2.5215 -2.4606 -2.4606 -1.1472 -1.1472 -1.1340 -1.1340 0.0086 0.0086 0.2361 0.2361 0.2584 0.2584 0.8920 0.8920 0.9404 0.9404 1.2157 1.2157 1.2658 1.2658 1.4074 1.4074 1.8070 1.8070 2.0889 2.0889 6.5115 6.5115 6.6788 6.6788 6.8312 6.8312 8.7755 8.7755 9.4222 9.4222 k = 0.0769 0.1332 0.4856 ( 5710 PWs) bands (ev): -17.7346 -17.7346 -17.6108 -17.6108 -15.6196 -15.6196 -15.5955 -15.5955 -15.4687 -15.4687 -15.4224 -15.4224 -6.2326 -6.2326 -5.6949 -5.6949 -3.6703 -3.6703 -3.6096 -3.6096 -3.2478 -3.2478 -2.9702 -2.9702 -2.5331 -2.5331 -2.4715 -2.4715 -1.1696 -1.1696 -1.1583 -1.1583 0.0250 0.0250 0.2488 0.2488 0.2688 0.2688 0.9051 0.9051 0.9506 0.9506 1.2365 1.2365 1.2798 1.2798 1.4242 1.4242 1.8233 1.8233 2.1048 2.1048 6.4882 6.4882 6.6771 6.6771 6.8083 6.8083 8.7425 8.7425 9.4559 9.4559 k = 0.0684 0.1184 0.4856 ( 5718 PWs) bands (ev): -17.7392 -17.7392 -17.6085 -17.6085 -15.6197 -15.6197 -15.6002 -15.6002 -15.4605 -15.4605 -15.4214 -15.4214 -6.2538 -6.2538 -5.6666 -5.6666 -3.6700 -3.6700 -3.6206 -3.6206 -3.2767 -3.2767 -2.9468 -2.9468 -2.5439 -2.5439 -2.4825 -2.4825 -1.1901 -1.1901 -1.1802 -1.1802 0.0402 0.0402 0.2585 0.2585 0.2785 0.2785 0.9189 0.9189 0.9596 0.9596 1.2555 1.2555 1.2920 1.2920 1.4395 1.4395 1.8391 1.8391 2.1193 2.1193 6.4665 6.4665 6.6756 6.6756 6.7867 6.7867 8.7112 8.7112 9.4902 9.4902 k = 0.0598 0.1036 0.4856 ( 5706 PWs) bands (ev): -17.7434 -17.7434 -17.6063 -17.6063 -15.6199 -15.6199 -15.6043 -15.6043 -15.4532 -15.4532 -15.4202 -15.4202 -6.2731 -6.2731 -5.6402 -5.6402 -3.6700 -3.6700 -3.6308 -3.6308 -3.3035 -3.3035 -2.9241 -2.9241 -2.5539 -2.5539 -2.4931 -2.4931 -1.2088 -1.2088 -1.1998 -1.1998 0.0541 0.0541 0.2662 0.2662 0.2868 0.2868 0.9328 0.9328 0.9675 0.9675 1.2727 1.2727 1.3026 1.3026 1.4530 1.4530 1.8541 1.8541 2.1323 2.1323 6.4468 6.4468 6.6743 6.6743 6.7671 6.7671 8.6824 8.6824 9.5241 9.5241 k = 0.0513 0.0888 0.4856 ( 5706 PWs) bands (ev): -17.7470 -17.7470 -17.6044 -17.6044 -15.6201 -15.6201 -15.6079 -15.6079 -15.4471 -15.4471 -15.4189 -15.4189 -6.2901 -6.2901 -5.6160 -5.6160 -3.6700 -3.6700 -3.6400 -3.6400 -3.3278 -3.3278 -2.9023 -2.9023 -2.5633 -2.5633 -2.5031 -2.5031 -1.2253 -1.2253 -1.2169 -1.2169 0.0667 0.0667 0.2724 0.2724 0.2933 0.2933 0.9463 0.9463 0.9742 0.9742 1.2877 1.2877 1.3116 1.3116 1.4648 1.4648 1.8679 1.8679 2.1438 2.1438 6.4291 6.4291 6.6727 6.6727 6.7499 6.7499 8.6565 8.6565 9.5565 9.5565 k = 0.0427 0.0740 0.4856 ( 5706 PWs) bands (ev): -17.7502 -17.7502 -17.6027 -17.6027 -15.6205 -15.6205 -15.6110 -15.6110 -15.4421 -15.4421 -15.4175 -15.4175 -6.3048 -6.3048 -5.5945 -5.5945 -3.6702 -3.6702 -3.6482 -3.6482 -3.3491 -3.3491 -2.8820 -2.8820 -2.5720 -2.5720 -2.5122 -2.5122 -1.2395 -1.2395 -1.2316 -1.2316 0.0778 0.0778 0.2773 0.2773 0.2983 0.2983 0.9589 0.9589 0.9800 0.9800 1.3005 1.3005 1.3194 1.3194 1.4749 1.4749 1.8803 1.8803 2.1536 2.1536 6.4138 6.4138 6.6708 6.6708 6.7356 6.7356 8.6339 8.6339 9.5859 9.5859 k = 0.0342 0.0592 0.4856 ( 5714 PWs) bands (ev): -17.7528 -17.7528 -17.6014 -17.6014 -15.6209 -15.6209 -15.6133 -15.6133 -15.4384 -15.4384 -15.4159 -15.4159 -6.3170 -6.3170 -5.5763 -5.5763 -3.6705 -3.6705 -3.6551 -3.6551 -3.3670 -3.3670 -2.8638 -2.8638 -2.5800 -2.5800 -2.5201 -2.5201 -1.2513 -1.2513 -1.2437 -1.2437 0.0872 0.0872 0.2810 0.2810 0.3019 0.3019 0.9698 0.9698 0.9848 0.9848 1.3107 1.3107 1.3259 1.3259 1.4831 1.4831 1.8909 1.8909 2.1617 2.1617 6.4009 6.4009 6.6682 6.6682 6.7244 6.7244 8.6150 8.6150 9.6111 9.6114 k = 0.0256 0.0444 0.4856 ( 5710 PWs) bands (ev): -17.7549 -17.7549 -17.6002 -17.6002 -15.6215 -15.6215 -15.6150 -15.6150 -15.4358 -15.4358 -15.4143 -15.4143 -6.3266 -6.3266 -5.5616 -5.5616 -3.6712 -3.6712 -3.6604 -3.6604 -3.3811 -3.3811 -2.8484 -2.8484 -2.5871 -2.5871 -2.5264 -2.5264 -1.2606 -1.2606 -1.2532 -1.2532 0.0947 0.0947 0.2837 0.2837 0.3045 0.3045 0.9786 0.9786 0.9888 0.9888 1.3184 1.3184 1.3312 1.3312 1.4896 1.4896 1.8994 1.8994 2.1681 2.1681 6.3908 6.3908 6.6653 6.6653 6.7165 6.7165 8.6000 8.6000 9.6322 9.6325 k = 0.0171 0.0296 0.4856 ( 5700 PWs) bands (ev): -17.7563 -17.7563 -17.5994 -17.5994 -15.6221 -15.6221 -15.6160 -15.6160 -15.4341 -15.4341 -15.4129 -15.4129 -6.3335 -6.3335 -5.5509 -5.5509 -3.6722 -3.6722 -3.6638 -3.6638 -3.3914 -3.3914 -2.8365 -2.8365 -2.5927 -2.5927 -2.5310 -2.5310 -1.2672 -1.2672 -1.2601 -1.2601 0.1002 0.1002 0.2855 0.2855 0.3062 0.3062 0.9847 0.9847 0.9921 0.9921 1.3235 1.3235 1.3354 1.3354 1.4942 1.4942 1.9057 1.9057 2.1726 2.1726 6.3834 6.3834 6.6625 6.6625 6.7115 6.7115 8.5891 8.5891 9.6470 9.6474 k = 0.0085 0.0148 0.4856 ( 5696 PWs) bands (ev): -17.7572 -17.7572 -17.5989 -17.5989 -15.6225 -15.6225 -15.6165 -15.6165 -15.4331 -15.4331 -15.4120 -15.4120 -6.3377 -6.3377 -5.5443 -5.5443 -3.6733 -3.6733 -3.6654 -3.6654 -3.3976 -3.3976 -2.8290 -2.8290 -2.5965 -2.5965 -2.5338 -2.5338 -1.2712 -1.2712 -1.2642 -1.2642 0.1036 0.1036 0.2865 0.2865 0.3072 0.3072 0.9880 0.9880 0.9945 0.9945 1.3264 1.3264 1.3381 1.3381 1.4969 1.4969 1.9095 1.9095 2.1754 2.1754 6.3789 6.3789 6.6604 6.6604 6.7088 6.7088 8.5826 8.5826 9.6587 9.6685 k = 0.0000 0.0000 0.4856 ( 5676 PWs) bands (ev): -17.7575 -17.7575 -17.5988 -17.5988 -15.6227 -15.6227 -15.6167 -15.6167 -15.4328 -15.4328 -15.4117 -15.4117 -6.3391 -6.3391 -5.5421 -5.5421 -3.6737 -3.6737 -3.6659 -3.6659 -3.3996 -3.3996 -2.8264 -2.8264 -2.5978 -2.5978 -2.5347 -2.5347 -1.2726 -1.2726 -1.2656 -1.2656 0.1047 0.1047 0.2868 0.2868 0.3075 0.3075 0.9890 0.9890 0.9955 0.9955 1.3273 1.3273 1.3390 1.3390 1.4978 1.4978 1.9108 1.9108 2.1763 2.1763 6.3774 6.3774 6.6597 6.6597 6.7080 6.7080 8.5804 8.5804 9.6655 9.6831 k = 0.5000 0.2887 0.4856 ( 5704 PWs) bands (ev): -17.6876 -17.6876 -17.5838 -17.5838 -15.7242 -15.7242 -15.6151 -15.6151 -15.4599 -15.4599 -15.4327 -15.4327 -6.3488 -6.3488 -5.4682 -5.4682 -3.6859 -3.6859 -3.6460 -3.6460 -3.1887 -3.1887 -2.6352 -2.6352 -2.3580 -2.3580 -2.1740 -2.1740 -0.6684 -0.6684 -0.2689 -0.2689 -0.1966 -0.1966 -0.1486 -0.1486 -0.1348 -0.1348 0.2268 0.2268 0.4830 0.4830 0.7700 0.7700 1.0212 1.0212 1.1808 1.1808 1.6528 1.6528 1.6976 1.6976 6.5971 6.5971 7.0962 7.0962 7.2436 7.2436 9.3064 9.3064 9.3678 9.3678 k = 0.5000 0.2887 0.4688 ( 5714 PWs) bands (ev): -17.6876 -17.6876 -17.5839 -17.5839 -15.7243 -15.7243 -15.6151 -15.6151 -15.4598 -15.4598 -15.4328 -15.4328 -6.3487 -6.3487 -5.4683 -5.4683 -3.6858 -3.6858 -3.6456 -3.6456 -3.1885 -3.1885 -2.6354 -2.6354 -2.3578 -2.3578 -2.1743 -2.1743 -0.6702 -0.6702 -0.2689 -0.2689 -0.1962 -0.1962 -0.1594 -0.1594 -0.1253 -0.1253 0.2271 0.2271 0.4838 0.4838 0.7715 0.7715 1.0214 1.0214 1.1799 1.1799 1.6518 1.6518 1.6986 1.6986 6.5970 6.5970 7.0957 7.0957 7.2441 7.2441 9.3049 9.3049 9.3682 9.3682 k = 0.5000 0.2887 0.4521 ( 5712 PWs) bands (ev): -17.6874 -17.6874 -17.5841 -17.5841 -15.7246 -15.7246 -15.6149 -15.6149 -15.4595 -15.4595 -15.4330 -15.4330 -6.3484 -6.3484 -5.4685 -5.4685 -3.6854 -3.6854 -3.6443 -3.6443 -3.1882 -3.1882 -2.6357 -2.6357 -2.3571 -2.3571 -2.1750 -2.1750 -0.6757 -0.6757 -0.2690 -0.2690 -0.1953 -0.1953 -0.1756 -0.1756 -0.1126 -0.1126 0.2281 0.2281 0.4863 0.4863 0.7759 0.7759 1.0220 1.0220 1.1773 1.1773 1.6493 1.6493 1.7013 1.7013 6.5966 6.5966 7.0942 7.0942 7.2457 7.2457 9.3003 9.3003 9.3696 9.3696 k = 0.5000 0.2887 0.4353 ( 5706 PWs) bands (ev): -17.6872 -17.6872 -17.5844 -17.5844 -15.7252 -15.7252 -15.6145 -15.6145 -15.4589 -15.4589 -15.4332 -15.4332 -6.3479 -6.3479 -5.4689 -5.4689 -3.6846 -3.6846 -3.6423 -3.6423 -3.1876 -3.1876 -2.6363 -2.6363 -2.3559 -2.3559 -2.1763 -2.1763 -0.6847 -0.6847 -0.2692 -0.2692 -0.1976 -0.1976 -0.1890 -0.1890 -0.1015 -0.1015 0.2298 0.2298 0.4905 0.4905 0.7830 0.7830 1.0229 1.0229 1.1728 1.1728 1.6458 1.6458 1.7051 1.7051 6.5960 6.5960 7.0917 7.0917 7.2484 7.2484 9.2930 9.2930 9.3720 9.3720 k = 0.5000 0.2887 0.4186 ( 5706 PWs) bands (ev): -17.6869 -17.6869 -17.5848 -17.5848 -15.7260 -15.7260 -15.6141 -15.6141 -15.4581 -15.4581 -15.4336 -15.4336 -6.3471 -6.3471 -5.4694 -5.4694 -3.6837 -3.6837 -3.6395 -3.6395 -3.1867 -3.1867 -2.6371 -2.6371 -2.3543 -2.3543 -2.1780 -2.1780 -0.6969 -0.6969 -0.2694 -0.2694 -0.2135 -0.2135 -0.1883 -0.1883 -0.0925 -0.0925 0.2321 0.2321 0.4965 0.4965 0.7926 0.7926 1.0243 1.0243 1.1667 1.1667 1.6418 1.6418 1.7095 1.7095 6.5951 6.5951 7.0883 7.0883 7.2521 7.2521 9.2836 9.2836 9.3755 9.3755 k = 0.5000 0.2887 0.4019 ( 5720 PWs) bands (ev): -17.6865 -17.6865 -17.5853 -17.5853 -15.7270 -15.7270 -15.6135 -15.6135 -15.4572 -15.4572 -15.4341 -15.4341 -6.3462 -6.3462 -5.4699 -5.4699 -3.6824 -3.6824 -3.6361 -3.6361 -3.1854 -3.1854 -2.6383 -2.6383 -2.3522 -2.3522 -2.1802 -2.1802 -0.7122 -0.7122 -0.2698 -0.2698 -0.2317 -0.2317 -0.1847 -0.1847 -0.0860 -0.0860 0.2350 0.2350 0.5045 0.5045 0.8043 0.8043 1.0261 1.0261 1.1588 1.1588 1.6378 1.6378 1.7141 1.7141 6.5940 6.5940 7.0839 7.0839 7.2568 7.2568 9.2726 9.2726 9.3802 9.3802 k = 0.5000 0.2887 0.3851 ( 5716 PWs) bands (ev): -17.6860 -17.6860 -17.5859 -17.5859 -15.7281 -15.7281 -15.6128 -15.6128 -15.4561 -15.4561 -15.4346 -15.4346 -6.3451 -6.3451 -5.4706 -5.4706 -3.6809 -3.6809 -3.6321 -3.6321 -3.1837 -3.1837 -2.6398 -2.6398 -2.3496 -2.3496 -2.1828 -2.1828 -0.7302 -0.7302 -0.2707 -0.2707 -0.2498 -0.2498 -0.1801 -0.1801 -0.0822 -0.0822 0.2385 0.2385 0.5143 0.5143 0.8179 0.8179 1.0285 1.0285 1.1493 1.1493 1.6339 1.6339 1.7186 1.7186 6.5926 6.5926 7.0785 7.0785 7.2625 7.2625 9.2607 9.2607 9.3861 9.3861 k = 0.5000 0.2887 0.3684 ( 5724 PWs) bands (ev): -17.6854 -17.6854 -17.5867 -17.5867 -15.7294 -15.7294 -15.6120 -15.6120 -15.4549 -15.4549 -15.4352 -15.4352 -6.3438 -6.3438 -5.4714 -5.4714 -3.6792 -3.6792 -3.6277 -3.6277 -3.1813 -3.1813 -2.6418 -2.6418 -2.3466 -2.3466 -2.1858 -2.1858 -0.7506 -0.7506 -0.2748 -0.2748 -0.2646 -0.2646 -0.1748 -0.1748 -0.0812 -0.0812 0.2427 0.2427 0.5261 0.5261 0.8328 0.8328 1.0315 1.0315 1.1382 1.1382 1.6305 1.6305 1.7229 1.7229 6.5910 6.5910 7.0724 7.0724 7.2691 7.2691 9.2485 9.2485 9.3932 9.3932 k = 0.5000 0.2887 0.3516 ( 5714 PWs) bands (ev): -17.6847 -17.6847 -17.5875 -17.5875 -15.7309 -15.7309 -15.6110 -15.6110 -15.4537 -15.4537 -15.4357 -15.4357 -6.3424 -6.3424 -5.4722 -5.4722 -3.6772 -3.6772 -3.6230 -3.6230 -3.1782 -3.1782 -2.6443 -2.6443 -2.3430 -2.3430 -2.1892 -2.1892 -0.7730 -0.7730 -0.2895 -0.2895 -0.2685 -0.2685 -0.1687 -0.1687 -0.0830 -0.0830 0.2474 0.2474 0.5397 0.5397 0.8485 0.8485 1.0352 1.0352 1.1256 1.1256 1.6275 1.6275 1.7268 1.7268 6.5891 6.5891 7.0654 7.0654 7.2766 7.2766 9.2363 9.2363 9.4015 9.4015 k = 0.5000 0.2887 0.3349 ( 5710 PWs) bands (ev): -17.6839 -17.6839 -17.5884 -17.5884 -15.7325 -15.7325 -15.6100 -15.6100 -15.4525 -15.4525 -15.4362 -15.4362 -6.3409 -6.3409 -5.4731 -5.4731 -3.6751 -3.6751 -3.6181 -3.6181 -3.1743 -3.1743 -2.6474 -2.6474 -2.3390 -2.3390 -2.1929 -2.1929 -0.7970 -0.7970 -0.3068 -0.3068 -0.2693 -0.2693 -0.1619 -0.1619 -0.0875 -0.0875 0.2526 0.2526 0.5549 0.5549 0.8646 0.8646 1.0398 1.0398 1.1117 1.1117 1.6252 1.6252 1.7301 1.7301 6.5870 6.5870 7.0578 7.0578 7.2849 7.2849 9.2244 9.2244 9.4110 9.4110 k = 0.5000 0.2887 0.3181 ( 5706 PWs) bands (ev): -17.6831 -17.6831 -17.5894 -17.5894 -15.7342 -15.7342 -15.6089 -15.6089 -15.4514 -15.4514 -15.4365 -15.4365 -6.3392 -6.3392 -5.4740 -5.4740 -3.6727 -3.6727 -3.6133 -3.6133 -3.1694 -3.1694 -2.6510 -2.6510 -2.3345 -2.3345 -2.1968 -2.1968 -0.8224 -0.8224 -0.3238 -0.3238 -0.2698 -0.2698 -0.1546 -0.1546 -0.0945 -0.0945 0.2583 0.2583 0.5716 0.5716 0.8806 0.8806 1.0454 1.0454 1.0966 1.0966 1.6235 1.6235 1.7330 1.7330 6.5846 6.5846 7.0496 7.0496 7.2939 7.2939 9.2132 9.2132 9.4217 9.4217 k = 0.5000 0.2887 0.3014 ( 5704 PWs) bands (ev): -17.6822 -17.6822 -17.5905 -17.5905 -15.7359 -15.7359 -15.6076 -15.6076 -15.4506 -15.4506 -15.4366 -15.4366 -6.3375 -6.3375 -5.4749 -5.4749 -3.6703 -3.6703 -3.6085 -3.6085 -3.1635 -3.1635 -2.6554 -2.6554 -2.3295 -2.3295 -2.2009 -2.2009 -0.8487 -0.8487 -0.3402 -0.3402 -0.2701 -0.2701 -0.1470 -0.1470 -0.1037 -0.1037 0.2645 0.2645 0.5894 0.5894 0.8958 0.8958 1.0520 1.0520 1.0807 1.0807 1.6224 1.6224 1.7353 1.7353 6.5821 6.5821 7.0408 7.0408 7.3035 7.3035 9.2027 9.2027 9.4336 9.4336 k = 0.5000 0.2887 0.2846 ( 5708 PWs) bands (ev): -17.6812 -17.6812 -17.5917 -17.5917 -15.7378 -15.7378 -15.6064 -15.6064 -15.4502 -15.4502 -15.4363 -15.4363 -6.3357 -6.3357 -5.4758 -5.4758 -3.6677 -3.6677 -3.6041 -3.6041 -3.1563 -3.1563 -2.6604 -2.6604 -2.3242 -2.3242 -2.2052 -2.2052 -0.8756 -0.8756 -0.3558 -0.3558 -0.2704 -0.2704 -0.1393 -0.1393 -0.1145 -0.1145 0.2711 0.2711 0.6082 0.6082 0.9098 0.9098 1.0562 1.0562 1.0677 1.0677 1.6220 1.6220 1.7369 1.7369 6.5793 6.5793 7.0316 7.0316 7.3135 7.3135 9.1931 9.1931 9.4468 9.4468 k = 0.5000 0.2887 0.2679 ( 5696 PWs) bands (ev): -17.6802 -17.6802 -17.5929 -17.5929 -15.7396 -15.7396 -15.6050 -15.6050 -15.4502 -15.4502 -15.4356 -15.4356 -6.3339 -6.3339 -5.4766 -5.4766 -3.6651 -3.6651 -3.6000 -3.6000 -3.1480 -3.1480 -2.6662 -2.6662 -2.3185 -2.3185 -2.2095 -2.2095 -0.9028 -0.9028 -0.3704 -0.3704 -0.2706 -0.2706 -0.1355 -0.1355 -0.1231 -0.1231 0.2781 0.2781 0.6275 0.6275 0.9222 0.9222 1.0426 1.0426 1.0733 1.0733 1.6222 1.6222 1.7379 1.7379 6.5763 6.5763 7.0222 7.0222 7.3240 7.3240 9.1845 9.1845 9.4612 9.4612 k = 0.5000 0.2887 0.2512 ( 5694 PWs) bands (ev): -17.6792 -17.6792 -17.5942 -17.5942 -15.7414 -15.7414 -15.6036 -15.6036 -15.4507 -15.4507 -15.4345 -15.4345 -6.3320 -6.3320 -5.4774 -5.4774 -3.6624 -3.6624 -3.5964 -3.5964 -3.1383 -3.1383 -2.6728 -2.6728 -2.3127 -2.3127 -2.2138 -2.2138 -0.9301 -0.9301 -0.3840 -0.3840 -0.2708 -0.2708 -0.1461 -0.1461 -0.1185 -0.1185 0.2855 0.2855 0.6473 0.6473 0.9327 0.9327 1.0242 1.0242 1.0847 1.0847 1.6231 1.6231 1.7383 1.7383 6.5731 6.5731 7.0126 7.0126 7.3346 7.3346 9.1768 9.1768 9.4768 9.4768 k = 0.5000 0.2887 0.2344 ( 5690 PWs) bands (ev): -17.6781 -17.6781 -17.5955 -17.5955 -15.7433 -15.7433 -15.6022 -15.6022 -15.4515 -15.4515 -15.4331 -15.4331 -6.3302 -6.3302 -5.4781 -5.4781 -3.6596 -3.6596 -3.5933 -3.5933 -3.1273 -3.1273 -2.6803 -2.6803 -2.3066 -2.3066 -2.2180 -2.2180 -0.9571 -0.9571 -0.3963 -0.3963 -0.2709 -0.2709 -0.1616 -0.1616 -0.1101 -0.1101 0.2931 0.2931 0.6670 0.6670 0.9413 0.9413 1.0050 1.0050 1.0978 1.0978 1.6246 1.6246 1.7381 1.7381 6.5698 6.5698 7.0029 7.0029 7.3454 7.3454 9.1701 9.1701 9.4936 9.4936 k = 0.5000 0.2887 0.2177 ( 5686 PWs) bands (ev): -17.6769 -17.6769 -17.5968 -17.5968 -15.7451 -15.7451 -15.6007 -15.6007 -15.4525 -15.4525 -15.4315 -15.4315 -6.3284 -6.3284 -5.4788 -5.4788 -3.6569 -3.6569 -3.5907 -3.5907 -3.1151 -3.1151 -2.6885 -2.6885 -2.3006 -2.3006 -2.2220 -2.2220 -0.9836 -0.9836 -0.4074 -0.4074 -0.2711 -0.2711 -0.1785 -0.1785 -0.1011 -0.1011 0.3011 0.3011 0.6866 0.6866 0.9481 0.9481 0.9854 0.9854 1.1121 1.1121 1.6266 1.6266 1.7373 1.7373 6.5663 6.5663 6.9934 6.9934 7.3562 7.3562 9.1643 9.1643 9.5116 9.5116 k = 0.5000 0.2887 0.2009 ( 5688 PWs) bands (ev): -17.6758 -17.6758 -17.5982 -17.5982 -15.7468 -15.7468 -15.5992 -15.5992 -15.4536 -15.4536 -15.4299 -15.4299 -6.3266 -6.3266 -5.4794 -5.4794 -3.6542 -3.6542 -3.5887 -3.5887 -3.1016 -3.1016 -2.6976 -2.6976 -2.2947 -2.2947 -2.2256 -2.2256 -1.0094 -1.0094 -0.4171 -0.4171 -0.2712 -0.2712 -0.1963 -0.1963 -0.0920 -0.0920 0.3093 0.3093 0.7058 0.7058 0.9532 0.9532 0.9658 0.9658 1.1271 1.1271 1.6291 1.6291 1.7358 1.7358 6.5628 6.5628 6.9840 6.9840 7.3668 7.3668 9.1593 9.1593 9.5306 9.5306 k = 0.5000 0.2887 0.1842 ( 5688 PWs) bands (ev): -17.6746 -17.6746 -17.5996 -17.5996 -15.7485 -15.7485 -15.5978 -15.5978 -15.4549 -15.4549 -15.4283 -15.4283 -6.3249 -6.3249 -5.4799 -5.4799 -3.6515 -3.6515 -3.5872 -3.5872 -3.0871 -3.0871 -2.7076 -2.7076 -2.2892 -2.2892 -2.2287 -2.2287 -1.0341 -1.0341 -0.4254 -0.4254 -0.2713 -0.2713 -0.2146 -0.2146 -0.0831 -0.0831 0.3176 0.3176 0.7244 0.7244 0.9452 0.9452 0.9581 0.9581 1.1422 1.1422 1.6322 1.6322 1.7338 1.7338 6.5592 6.5592 6.9750 6.9750 7.3771 7.3771 9.1552 9.1552 9.5507 9.5507 k = 0.5000 0.2887 0.1674 ( 5684 PWs) bands (ev): -17.6735 -17.6735 -17.6009 -17.6009 -15.7501 -15.7501 -15.5964 -15.5964 -15.4561 -15.4561 -15.4266 -15.4266 -6.3233 -6.3233 -5.4804 -5.4804 -3.6490 -3.6490 -3.5862 -3.5862 -3.0715 -3.0715 -2.7183 -2.7183 -2.2842 -2.2842 -2.2310 -2.2310 -1.0576 -1.0576 -0.4322 -0.4322 -0.2715 -0.2715 -0.2329 -0.2329 -0.0744 -0.0744 0.3260 0.3260 0.7421 0.7421 0.9260 0.9260 0.9608 0.9608 1.1572 1.1572 1.6357 1.6357 1.7313 1.7313 6.5557 6.5557 6.9663 6.9663 7.3871 7.3871 9.1518 9.1518 9.5716 9.5716 k = 0.5000 0.2887 0.1507 ( 5688 PWs) bands (ev): -17.6724 -17.6724 -17.6022 -17.6022 -15.7516 -15.7516 -15.5950 -15.5950 -15.4574 -15.4574 -15.4251 -15.4251 -6.3218 -6.3218 -5.4808 -5.4808 -3.6466 -3.6466 -3.5856 -3.5856 -3.0551 -3.0551 -2.7299 -2.7299 -2.2802 -2.2802 -2.2324 -2.2324 -1.0796 -1.0796 -0.4375 -0.4375 -0.2721 -0.2721 -0.2508 -0.2508 -0.0661 -0.0661 0.3344 0.3344 0.7588 0.7588 0.9072 0.9072 0.9629 0.9629 1.1716 1.1716 1.6396 1.6396 1.7282 1.7282 6.5522 6.5522 6.9582 6.9582 7.3965 7.3965 9.1491 9.1491 9.5931 9.5931 k = 0.5000 0.2887 0.1340 ( 5686 PWs) bands (ev): -17.6713 -17.6713 -17.6035 -17.6035 -15.7529 -15.7529 -15.5937 -15.5937 -15.4586 -15.4586 -15.4236 -15.4236 -6.3204 -6.3204 -5.4811 -5.4811 -3.6444 -3.6444 -3.5853 -3.5853 -3.0380 -3.0380 -2.7422 -2.7422 -2.2773 -2.2773 -2.2328 -2.2328 -1.1000 -1.1000 -0.4413 -0.4413 -0.2759 -0.2759 -0.2654 -0.2654 -0.0583 -0.0583 0.3426 0.3426 0.7743 0.7743 0.8892 0.8892 0.9643 0.9643 1.1852 1.1852 1.6438 1.6438 1.7247 1.7247 6.5488 6.5488 6.9507 6.9507 7.4052 7.4052 9.1469 9.1469 9.6151 9.6151 k = 0.5000 0.2887 0.1172 ( 5674 PWs) bands (ev): -17.6703 -17.6703 -17.6046 -17.6046 -15.7542 -15.7542 -15.5925 -15.5925 -15.4598 -15.4598 -15.4223 -15.4223 -6.3191 -6.3191 -5.4813 -5.4813 -3.6423 -3.6423 -3.5853 -3.5853 -3.0205 -3.0205 -2.7551 -2.7551 -2.2755 -2.2755 -2.2320 -2.2320 -1.1185 -1.1185 -0.4436 -0.4436 -0.2897 -0.2897 -0.2692 -0.2692 -0.0511 -0.0511 0.3506 0.3506 0.7886 0.7886 0.8721 0.8721 0.9651 0.9651 1.1977 1.1977 1.6484 1.6484 1.7208 1.7208 6.5456 6.5456 6.9440 6.9440 7.4133 7.4133 9.1453 9.1453 9.6371 9.6371 k = 0.5000 0.2887 0.1005 ( 5680 PWs) bands (ev): -17.6693 -17.6693 -17.6057 -17.6057 -15.7552 -15.7552 -15.5914 -15.5914 -15.4608 -15.4608 -15.4211 -15.4211 -6.3180 -6.3180 -5.4815 -5.4815 -3.6405 -3.6405 -3.5855 -3.5855 -3.0026 -3.0026 -2.7687 -2.7687 -2.2748 -2.2748 -2.2303 -2.2303 -1.1350 -1.1350 -0.4444 -0.4444 -0.3061 -0.3061 -0.2698 -0.2698 -0.0446 -0.0446 0.3581 0.3581 0.8013 0.8013 0.8565 0.8565 0.9656 0.9656 1.2089 1.2089 1.6532 1.6532 1.7166 1.7166 6.5427 6.5427 6.9379 6.9379 7.4204 7.4204 9.1440 9.1440 9.6587 9.6587 k = 0.5000 0.2887 0.0837 ( 5686 PWs) bands (ev): -17.6685 -17.6685 -17.6067 -17.6067 -15.7562 -15.7562 -15.5905 -15.5905 -15.4618 -15.4618 -15.4201 -15.4201 -6.3170 -6.3170 -5.4816 -5.4816 -3.6389 -3.6389 -3.5858 -3.5858 -2.9849 -2.9849 -2.7826 -2.7826 -2.2748 -2.2748 -2.2282 -2.2282 -1.1492 -1.1492 -0.4438 -0.4438 -0.3218 -0.3218 -0.2699 -0.2699 -0.0389 -0.0389 0.3650 0.3650 0.8124 0.8124 0.8425 0.8425 0.9657 0.9657 1.2187 1.2187 1.6583 1.6583 1.7120 1.7120 6.5401 6.5401 6.9328 6.9328 7.4267 7.4267 9.1431 9.1431 9.6793 9.6793 k = 0.5000 0.2887 0.0670 ( 5686 PWs) bands (ev): -17.6678 -17.6678 -17.6075 -17.6075 -15.7570 -15.7570 -15.5896 -15.5896 -15.4626 -15.4626 -15.4192 -15.4192 -6.3163 -6.3163 -5.4817 -5.4817 -3.6376 -3.6376 -3.5861 -3.5861 -2.9675 -2.9675 -2.7967 -2.7967 -2.2752 -2.2752 -2.2259 -2.2259 -1.1611 -1.1611 -0.4421 -0.4421 -0.3363 -0.3363 -0.2700 -0.2700 -0.0341 -0.0341 0.3711 0.3711 0.8217 0.8217 0.8305 0.8305 0.9655 0.9655 1.2268 1.2268 1.6635 1.6635 1.7071 1.7071 6.5379 6.5379 6.9285 6.9285 7.4319 7.4319 9.1425 9.1425 9.6981 9.6981 k = 0.5000 0.2887 0.0502 ( 5686 PWs) bands (ev): -17.6672 -17.6672 -17.6082 -17.6082 -15.7576 -15.7576 -15.5890 -15.5890 -15.4632 -15.4632 -15.4186 -15.4186 -6.3156 -6.3156 -5.4818 -5.4818 -3.6365 -3.6365 -3.5864 -3.5864 -2.9511 -2.9511 -2.8105 -2.8105 -2.2757 -2.2757 -2.2238 -2.2238 -1.1705 -1.1705 -0.4394 -0.4394 -0.3489 -0.3489 -0.2700 -0.2700 -0.0303 -0.0303 0.3762 0.3762 0.8207 0.8207 0.8293 0.8293 0.9653 0.9653 1.2332 1.2332 1.6689 1.6689 1.7020 1.7020 6.5361 6.5361 6.9251 6.9251 7.4360 7.4360 9.1420 9.1420 9.7142 9.7142 k = 0.5000 0.2887 0.0335 ( 5678 PWs) bands (ev): -17.6667 -17.6667 -17.6087 -17.6087 -15.7580 -15.7580 -15.5885 -15.5885 -15.4637 -15.4637 -15.4181 -15.4181 -6.3152 -6.3152 -5.4818 -5.4818 -3.6358 -3.6358 -3.5866 -3.5866 -2.9366 -2.9366 -2.8230 -2.8230 -2.2762 -2.2762 -2.2221 -2.2221 -1.1773 -1.1773 -0.4364 -0.4364 -0.3592 -0.3592 -0.2700 -0.2700 -0.0276 -0.0276 0.3799 0.3799 0.8136 0.8136 0.8347 0.8347 0.9650 0.9650 1.2379 1.2379 1.6744 1.6744 1.6967 1.6967 6.5348 6.5348 6.9226 6.9226 7.4390 7.4390 9.1418 9.1418 9.7267 9.7267 k = 0.5000 0.2887 0.0167 ( 5678 PWs) bands (ev): -17.6665 -17.6665 -17.6090 -17.6090 -15.7583 -15.7583 -15.5882 -15.5882 -15.4640 -15.4640 -15.4178 -15.4178 -6.3149 -6.3149 -5.4819 -5.4819 -3.6353 -3.6353 -3.5868 -3.5868 -2.9260 -2.9260 -2.8325 -2.8325 -2.2766 -2.2766 -2.2211 -2.2211 -1.1814 -1.1814 -0.4339 -0.4339 -0.3661 -0.3661 -0.2700 -0.2700 -0.0259 -0.0259 0.3823 0.3823 0.8092 0.8092 0.8380 0.8380 0.9648 0.9648 1.2407 1.2407 1.6799 1.6799 1.6914 1.6914 6.5340 6.5340 6.9211 6.9211 7.4408 7.4408 9.1416 9.1416 9.7347 9.7347 k = 0.5000 0.2887-0.0000 ( 5688 PWs) bands (ev): -17.6664 -17.6664 -17.6091 -17.6091 -15.7584 -15.7584 -15.5881 -15.5881 -15.4641 -15.4641 -15.4177 -15.4177 -6.3148 -6.3148 -5.4819 -5.4819 -3.6351 -3.6351 -3.5869 -3.5869 -2.9219 -2.9219 -2.8362 -2.8362 -2.2767 -2.2767 -2.2207 -2.2207 -1.1828 -1.1828 -0.4329 -0.4329 -0.3685 -0.3685 -0.2700 -0.2700 -0.0254 -0.0254 0.3831 0.3831 0.8077 0.8077 0.8391 0.8391 0.9648 0.9648 1.2417 1.2417 1.6841 1.6841 1.6871 1.6871 6.5337 6.5337 6.9207 6.9207 7.4414 7.4414 9.1416 9.1416 9.7374 9.7374 k = 0.3333 0.5774-0.0000 ( 5652 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7864 -15.7864 -15.5300 -15.5300 -15.5280 -15.5280 -15.4053 -15.4053 -5.9529 -5.9529 -5.9378 -5.9378 -3.5578 -3.5578 -3.2701 -3.2701 -3.2646 -3.2646 -2.4324 -2.4324 -2.4089 -2.4089 -2.3420 -2.3420 -0.8535 -0.8535 -0.8419 -0.8419 -0.7612 -0.7612 -0.0594 -0.0594 0.4564 0.4564 0.5928 0.5928 0.5939 0.5939 0.9834 0.9834 0.9911 0.9911 1.0548 1.0548 1.4187 1.4187 1.4191 1.4191 6.9096 6.9096 7.0389 7.0389 7.1150 7.1150 9.4154 9.4154 9.4486 9.4486 k = 0.3333 0.5774 0.0167 ( 5664 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7863 -15.7863 -15.5300 -15.5300 -15.5280 -15.5280 -15.4054 -15.4054 -5.9531 -5.9531 -5.9380 -5.9380 -3.5577 -3.5577 -3.2697 -3.2697 -3.2642 -3.2642 -2.4331 -2.4331 -2.4097 -2.4097 -2.3422 -2.3422 -0.8523 -0.8523 -0.8407 -0.8407 -0.7606 -0.7606 -0.0590 -0.0590 0.4562 0.4562 0.5924 0.5924 0.5934 0.5934 0.9828 0.9828 0.9905 0.9905 1.0535 1.0535 1.4194 1.4194 1.4198 1.4198 6.9104 6.9104 7.0388 7.0388 7.1149 7.1149 9.4161 9.4161 9.4492 9.4492 k = 0.3333 0.5774 0.0335 ( 5676 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7859 -15.7859 -15.5300 -15.5300 -15.5280 -15.5280 -15.4058 -15.4058 -5.9536 -5.9536 -5.9385 -5.9385 -3.5573 -3.5573 -3.2685 -3.2685 -3.2630 -3.2630 -2.4354 -2.4354 -2.4120 -2.4120 -2.3430 -2.3430 -0.8489 -0.8489 -0.8374 -0.8374 -0.7585 -0.7585 -0.0577 -0.0577 0.4555 0.4555 0.5911 0.5911 0.5922 0.5922 0.9810 0.9810 0.9886 0.9886 1.0497 1.0497 1.4215 1.4215 1.4219 1.4219 6.9128 6.9128 7.0385 7.0385 7.1147 7.1147 9.4183 9.4183 9.4510 9.4510 k = 0.3333 0.5774 0.0502 ( 5685 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7853 -15.7853 -15.5299 -15.5299 -15.5280 -15.5280 -15.4064 -15.4064 -5.9544 -5.9544 -5.9393 -5.9393 -3.5566 -3.5566 -3.2665 -3.2665 -3.2610 -3.2610 -2.4391 -2.4391 -2.4157 -2.4157 -2.3442 -2.3442 -0.8433 -0.8433 -0.8318 -0.8318 -0.7551 -0.7551 -0.0557 -0.0557 0.4543 0.4543 0.5890 0.5890 0.5900 0.5900 0.9779 0.9779 0.9855 0.9855 1.0432 1.0432 1.4250 1.4250 1.4254 1.4254 6.9167 6.9167 7.0381 7.0381 7.1144 7.1144 9.4219 9.4219 9.4540 9.4540 k = 0.3333 0.5774 0.0670 ( 5691 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7845 -15.7845 -15.5299 -15.5299 -15.5279 -15.5279 -15.4073 -15.4073 -5.9555 -5.9555 -5.9405 -5.9405 -3.5556 -3.5556 -3.2638 -3.2638 -3.2583 -3.2583 -2.4442 -2.4442 -2.4210 -2.4210 -2.3458 -2.3458 -0.8355 -0.8355 -0.8241 -0.8241 -0.7504 -0.7504 -0.0529 -0.0529 0.4528 0.4528 0.5861 0.5861 0.5872 0.5872 0.9738 0.9738 0.9813 0.9813 1.0343 1.0343 1.4297 1.4297 1.4302 1.4302 6.9220 6.9220 7.0374 7.0374 7.1139 7.1139 9.4269 9.4269 9.4580 9.4580 k = 0.3333 0.5774 0.0837 ( 5679 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7834 -15.7834 -15.5298 -15.5298 -15.5279 -15.5279 -15.4085 -15.4085 -5.9568 -5.9568 -5.9419 -5.9419 -3.5544 -3.5544 -3.2603 -3.2603 -3.2548 -3.2548 -2.4507 -2.4507 -2.4276 -2.4276 -2.3479 -2.3479 -0.8256 -0.8256 -0.8144 -0.8144 -0.7444 -0.7444 -0.0492 -0.0492 0.4507 0.4507 0.5824 0.5824 0.5835 0.5835 0.9686 0.9686 0.9760 0.9760 1.0230 1.0230 1.4355 1.4355 1.4362 1.4362 6.9288 6.9288 7.0366 7.0366 7.1134 7.1134 9.4332 9.4332 9.4629 9.4629 k = 0.3333 0.5774 0.1005 ( 5679 PWs) bands (ev): -17.6337 -17.6337 -17.6294 -17.6294 -15.7821 -15.7821 -15.5298 -15.5298 -15.5278 -15.5278 -15.4099 -15.4099 -5.9585 -5.9585 -5.9436 -5.9436 -3.5530 -3.5530 -3.2560 -3.2560 -3.2505 -3.2505 -2.4586 -2.4586 -2.4355 -2.4355 -2.3503 -2.3503 -0.8138 -0.8138 -0.8027 -0.8027 -0.7371 -0.7371 -0.0447 -0.0447 0.4483 0.4483 0.5780 0.5780 0.5792 0.5792 0.9623 0.9623 0.9696 0.9696 1.0093 1.0093 1.4424 1.4424 1.4432 1.4432 6.9368 6.9368 7.0357 7.0357 7.1128 7.1128 9.4405 9.4406 9.4687 9.4687 k = 0.3333 0.5774 0.1172 ( 5685 PWs) bands (ev): -17.6337 -17.6337 -17.6295 -17.6295 -15.7806 -15.7806 -15.5297 -15.5297 -15.5277 -15.5277 -15.4115 -15.4115 -5.9604 -5.9604 -5.9456 -5.9456 -3.5513 -3.5513 -3.2510 -3.2510 -3.2455 -3.2455 -2.4677 -2.4677 -2.4446 -2.4446 -2.3532 -2.3532 -0.8001 -0.8001 -0.7892 -0.7892 -0.7286 -0.7286 -0.0394 -0.0394 0.4455 0.4455 0.5731 0.5731 0.5743 0.5743 0.9551 0.9551 0.9623 0.9623 0.9933 0.9933 1.4502 1.4502 1.4511 1.4511 6.9460 6.9460 7.0345 7.0345 7.1122 7.1122 9.4488 9.4488 9.4750 9.4750 k = 0.3333 0.5774 0.1340 ( 5685 PWs) bands (ev): -17.6337 -17.6337 -17.6295 -17.6295 -15.7789 -15.7789 -15.5296 -15.5296 -15.5276 -15.5276 -15.4133 -15.4133 -5.9626 -5.9626 -5.9478 -5.9478 -3.5494 -3.5494 -3.2453 -3.2453 -3.2398 -3.2398 -2.4780 -2.4780 -2.4549 -2.4549 -2.3563 -2.3563 -0.7847 -0.7847 -0.7740 -0.7740 -0.7190 -0.7190 -0.0333 -0.0333 0.4423 0.4423 0.5676 0.5676 0.5689 0.5689 0.9469 0.9469 0.9542 0.9542 0.9752 0.9752 1.4587 1.4587 1.4598 1.4598 6.9561 6.9561 7.0333 7.0333 7.1116 7.1116 9.4577 9.4578 9.4818 9.4818 k = 0.3333 0.5774 0.1507 ( 5697 PWs) bands (ev): -17.6337 -17.6337 -17.6295 -17.6295 -15.7770 -15.7770 -15.5295 -15.5295 -15.5275 -15.5275 -15.4153 -15.4153 -5.9649 -5.9649 -5.9502 -5.9502 -3.5474 -3.5474 -3.2389 -3.2389 -3.2335 -3.2335 -2.4894 -2.4894 -2.4663 -2.4663 -2.3597 -2.3597 -0.7679 -0.7679 -0.7573 -0.7573 -0.7083 -0.7083 -0.0263 -0.0263 0.4387 0.4387 0.5617 0.5617 0.5631 0.5631 0.9379 0.9379 0.9453 0.9453 0.9551 0.9551 1.4679 1.4679 1.4691 1.4691 6.9671 6.9671 7.0319 7.0319 7.1111 7.1111 9.4668 9.4668 9.4887 9.4887 k = 0.3333 0.5774 0.1674 ( 5703 PWs) bands (ev): -17.6337 -17.6337 -17.6295 -17.6295 -15.7750 -15.7750 -15.5295 -15.5295 -15.5274 -15.5274 -15.4175 -15.4175 -5.9675 -5.9675 -5.9528 -5.9528 -3.5451 -3.5451 -3.2318 -3.2318 -3.2264 -3.2264 -2.5017 -2.5017 -2.4786 -2.4786 -2.3633 -2.3633 -0.7497 -0.7497 -0.7393 -0.7393 -0.6967 -0.6967 -0.0185 -0.0185 0.4349 0.4349 0.5555 0.5555 0.5569 0.5569 0.9271 0.9271 0.9341 0.9341 0.9356 0.9356 1.4775 1.4775 1.4788 1.4788 6.9785 6.9785 7.0304 7.0304 7.1107 7.1107 9.4757 9.4757 9.4955 9.4955 k = 0.3333 0.5774 0.1842 ( 5706 PWs) bands (ev): -17.6338 -17.6338 -17.6295 -17.6295 -15.7728 -15.7728 -15.5294 -15.5294 -15.5273 -15.5273 -15.4198 -15.4198 -5.9702 -5.9702 -5.9555 -5.9555 -3.5427 -3.5427 -3.2241 -3.2241 -3.2188 -3.2188 -2.5149 -2.5149 -2.4917 -2.4917 -2.3672 -2.3672 -0.7303 -0.7303 -0.7202 -0.7202 -0.6841 -0.6841 -0.0098 -0.0098 0.4308 0.4308 0.5490 0.5490 0.5504 0.5504 0.9074 0.9074 0.9196 0.9196 0.9254 0.9254 1.4875 1.4875 1.4889 1.4889 6.9903 6.9903 7.0288 7.0288 7.1107 7.1107 9.4838 9.4838 9.5019 9.5019 k = 0.3333 0.5774 0.2009 ( 5694 PWs) bands (ev): -17.6338 -17.6338 -17.6296 -17.6296 -15.7705 -15.7705 -15.5293 -15.5293 -15.5271 -15.5271 -15.4223 -15.4223 -5.9729 -5.9729 -5.9583 -5.9583 -3.5402 -3.5402 -3.2158 -3.2158 -3.2105 -3.2105 -2.5288 -2.5288 -2.5056 -2.5056 -2.3712 -2.3712 -0.7101 -0.7101 -0.7001 -0.7001 -0.6707 -0.6707 -0.0003 -0.0003 0.4264 0.4264 0.5423 0.5423 0.5438 0.5438 0.8822 0.8822 0.9084 0.9084 0.9147 0.9147 1.4976 1.4976 1.4991 1.4991 7.0021 7.0021 7.0271 7.0271 7.1111 7.1111 9.4908 9.4908 9.5076 9.5076 k = 0.3333 0.5774 0.2177 ( 5703 PWs) bands (ev): -17.6338 -17.6338 -17.6296 -17.6296 -15.7680 -15.7680 -15.5292 -15.5292 -15.5270 -15.5270 -15.4249 -15.4249 -5.9758 -5.9758 -5.9613 -5.9613 -3.5376 -3.5376 -3.2069 -3.2069 -3.2017 -3.2017 -2.5434 -2.5434 -2.5200 -2.5200 -2.3753 -2.3753 -0.6891 -0.6891 -0.6793 -0.6793 -0.6567 -0.6567 0.0101 0.0101 0.4218 0.4218 0.5356 0.5356 0.5371 0.5371 0.8551 0.8551 0.8971 0.8971 0.9035 0.9035 1.5078 1.5078 1.5094 1.5094 7.0135 7.0135 7.0253 7.0253 7.1122 7.1122 9.4965 9.4965 9.5123 9.5123 k = 0.3333 0.5774 0.2344 ( 5697 PWs) bands (ev): -17.6338 -17.6338 -17.6296 -17.6296 -15.7655 -15.7655 -15.5291 -15.5291 -15.5269 -15.5269 -15.4276 -15.4276 -5.9787 -5.9787 -5.9643 -5.9643 -3.5350 -3.5350 -3.1975 -3.1975 -3.1925 -3.1925 -2.5585 -2.5585 -2.5349 -2.5349 -2.3794 -2.3794 -0.6678 -0.6678 -0.6580 -0.6580 -0.6421 -0.6421 0.0214 0.0214 0.4171 0.4171 0.5288 0.5288 0.5304 0.5304 0.8266 0.8266 0.8855 0.8855 0.8921 0.8921 1.5180 1.5180 1.5196 1.5196 7.0235 7.0235 7.0241 7.0241 7.1142 7.1142 9.5006 9.5006 9.5159 9.5159 k = 0.3333 0.5774 0.2512 ( 5697 PWs) bands (ev): -17.6338 -17.6338 -17.6296 -17.6296 -15.7629 -15.7629 -15.5290 -15.5290 -15.5267 -15.5267 -15.4303 -15.4303 -5.9817 -5.9817 -5.9673 -5.9673 -3.5323 -3.5323 -3.1877 -3.1877 -3.1828 -3.1828 -2.5740 -2.5740 -2.5502 -2.5502 -2.3836 -2.3836 -0.6463 -0.6463 -0.6364 -0.6364 -0.6269 -0.6269 0.0337 0.0337 0.4123 0.4123 0.5222 0.5222 0.5238 0.5238 0.7968 0.7968 0.8737 0.8737 0.8803 0.8803 1.5280 1.5280 1.5297 1.5297 7.0217 7.0217 7.0335 7.0335 7.1174 7.1174 9.5031 9.5031 9.5180 9.5180 k = 0.3333 0.5774 0.2679 ( 5715 PWs) bands (ev): -17.6338 -17.6338 -17.6297 -17.6297 -15.7603 -15.7603 -15.5289 -15.5289 -15.5266 -15.5266 -15.4330 -15.4330 -5.9846 -5.9846 -5.9702 -5.9702 -3.5296 -3.5296 -3.1775 -3.1775 -3.1727 -3.1727 -2.5897 -2.5897 -2.5657 -2.5657 -2.3878 -2.3878 -0.6251 -0.6251 -0.6147 -0.6147 -0.6111 -0.6111 0.0469 0.0469 0.4075 0.4075 0.5157 0.5157 0.5173 0.5173 0.7660 0.7660 0.8617 0.8617 0.8685 0.8685 1.5378 1.5378 1.5395 1.5395 7.0199 7.0199 7.0413 7.0413 7.1220 7.1220 9.5039 9.5039 9.5188 9.5188 k = 0.3333 0.5774 0.2846 ( 5721 PWs) bands (ev): -17.6339 -17.6339 -17.6297 -17.6297 -15.7577 -15.7577 -15.5288 -15.5288 -15.5265 -15.5265 -15.4358 -15.4358 -5.9874 -5.9874 -5.9731 -5.9731 -3.5269 -3.5269 -3.1670 -3.1670 -3.1624 -3.1624 -2.6055 -2.6055 -2.5812 -2.5812 -2.3919 -2.3919 -0.6051 -0.6051 -0.5944 -0.5944 -0.5932 -0.5932 0.0611 0.0611 0.4026 0.4026 0.5095 0.5095 0.5111 0.5111 0.7344 0.7344 0.8497 0.8497 0.8566 0.8566 1.5472 1.5472 1.5489 1.5489 7.0181 7.0181 7.0473 7.0473 7.1281 7.1281 9.5032 9.5032 9.5181 9.5181 k = 0.3333 0.5774 0.3014 ( 5715 PWs) bands (ev): -17.6339 -17.6339 -17.6297 -17.6297 -15.7552 -15.7552 -15.5287 -15.5287 -15.5264 -15.5264 -15.4385 -15.4385 -5.9902 -5.9902 -5.9760 -5.9760 -3.5243 -3.5243 -3.1563 -3.1563 -3.1520 -3.1520 -2.6214 -2.6214 -2.5967 -2.5967 -2.3958 -2.3958 -0.5873 -0.5873 -0.5760 -0.5760 -0.5722 -0.5722 0.0763 0.0763 0.3978 0.3978 0.5035 0.5035 0.5052 0.5052 0.7021 0.7021 0.8378 0.8378 0.8448 0.8448 1.5561 1.5561 1.5579 1.5579 7.0163 7.0163 7.0516 7.0516 7.1355 7.1355 9.5010 9.5010 9.5161 9.5161 k = 0.3333 0.5774 0.3181 ( 5706 PWs) bands (ev): -17.6339 -17.6339 -17.6297 -17.6297 -15.7527 -15.7527 -15.5286 -15.5286 -15.5262 -15.5262 -15.4411 -15.4411 -5.9928 -5.9928 -5.9786 -5.9786 -3.5218 -3.5218 -3.1455 -3.1455 -3.1414 -3.1414 -2.6370 -2.6370 -2.6120 -2.6120 -2.3996 -2.3996 -0.5715 -0.5715 -0.5567 -0.5567 -0.5518 -0.5518 0.0925 0.0925 0.3932 0.3932 0.4978 0.4978 0.4996 0.4996 0.6694 0.6694 0.8262 0.8262 0.8334 0.8334 1.5646 1.5646 1.5663 1.5663 7.0146 7.0146 7.0545 7.0545 7.1438 7.1438 9.4976 9.4977 9.5129 9.5129 k = 0.3333 0.5774 0.3349 ( 5700 PWs) bands (ev): -17.6339 -17.6339 -17.6298 -17.6298 -15.7503 -15.7503 -15.5285 -15.5285 -15.5261 -15.5261 -15.4436 -15.4436 -5.9953 -5.9953 -5.9812 -5.9812 -3.5195 -3.5195 -3.1348 -3.1348 -3.1309 -3.1309 -2.6522 -2.6522 -2.6269 -2.6269 -2.4032 -2.4032 -0.5570 -0.5570 -0.5376 -0.5376 -0.5323 -0.5323 0.1098 0.1098 0.3887 0.3887 0.4926 0.4926 0.4944 0.4944 0.6364 0.6364 0.8149 0.8149 0.8223 0.8223 1.5724 1.5724 1.5741 1.5741 7.0130 7.0130 7.0562 7.0562 7.1525 7.1525 9.4933 9.4933 9.5089 9.5089 k = 0.3333 0.5774 0.3516 ( 5697 PWs) bands (ev): -17.6339 -17.6339 -17.6298 -17.6298 -15.7480 -15.7480 -15.5284 -15.5284 -15.5260 -15.5260 -15.4460 -15.4460 -5.9976 -5.9976 -5.9835 -5.9835 -3.5173 -3.5173 -3.1242 -3.1242 -3.1207 -3.1207 -2.6669 -2.6669 -2.6412 -2.6412 -2.4065 -2.4065 -0.5435 -0.5435 -0.5194 -0.5194 -0.5140 -0.5140 0.1281 0.1281 0.3845 0.3845 0.4878 0.4878 0.4896 0.4896 0.6033 0.6033 0.8042 0.8042 0.8117 0.8117 1.5796 1.5796 1.5813 1.5813 7.0115 7.0115 7.0572 7.0572 7.1611 7.1611 9.4884 9.4884 9.5042 9.5042 k = 0.3333 0.5774 0.3684 ( 5703 PWs) bands (ev): -17.6339 -17.6339 -17.6298 -17.6298 -15.7459 -15.7459 -15.5284 -15.5284 -15.5259 -15.5259 -15.4482 -15.4482 -5.9997 -5.9997 -5.9857 -5.9857 -3.5152 -3.5152 -3.1139 -3.1139 -3.1108 -3.1108 -2.6809 -2.6809 -2.6547 -2.6547 -2.4096 -2.4096 -0.5311 -0.5311 -0.5025 -0.5025 -0.4972 -0.4972 0.1475 0.1475 0.3806 0.3806 0.4834 0.4834 0.4853 0.4853 0.5704 0.5704 0.7943 0.7943 0.8019 0.8019 1.5860 1.5860 1.5877 1.5877 7.0101 7.0101 7.0577 7.0577 7.1694 7.1694 9.4831 9.4831 9.4992 9.4992 k = 0.3333 0.5774 0.3851 ( 5715 PWs) bands (ev): -17.6339 -17.6339 -17.6298 -17.6298 -15.7440 -15.7440 -15.5283 -15.5283 -15.5258 -15.5258 -15.4502 -15.4502 -6.0016 -6.0016 -5.9876 -5.9876 -3.5134 -3.5134 -3.1043 -3.1043 -3.1016 -3.1016 -2.6938 -2.6938 -2.6671 -2.6671 -2.4123 -2.4123 -0.5199 -0.5199 -0.4872 -0.4872 -0.4820 -0.4820 0.1678 0.1678 0.3771 0.3771 0.4794 0.4794 0.4816 0.4816 0.5381 0.5381 0.7852 0.7852 0.7930 0.7930 1.5917 1.5917 1.5934 1.5934 7.0089 7.0089 7.0578 7.0578 7.1770 7.1770 9.4779 9.4779 9.4942 9.4942 k = 0.3333 0.5774 0.4019 ( 5715 PWs) bands (ev): -17.6339 -17.6339 -17.6298 -17.6298 -15.7424 -15.7424 -15.5282 -15.5282 -15.5258 -15.5258 -15.4519 -15.4519 -6.0032 -6.0032 -5.9893 -5.9893 -3.5118 -3.5118 -3.0954 -3.0954 -3.0931 -3.0931 -2.7054 -2.7054 -2.6783 -2.6783 -2.4146 -2.4146 -0.5102 -0.5102 -0.4737 -0.4737 -0.4687 -0.4687 0.1889 0.1889 0.3740 0.3740 0.4755 0.4755 0.4783 0.4783 0.5070 0.5070 0.7771 0.7771 0.7851 0.7851 1.5966 1.5966 1.5983 1.5983 7.0078 7.0078 7.0577 7.0577 7.1838 7.1838 9.4729 9.4729 9.4894 9.4894 k = 0.3333 0.5774 0.4186 ( 5709 PWs) bands (ev): -17.6339 -17.6339 -17.6298 -17.6298 -15.7410 -15.7410 -15.5282 -15.5282 -15.5257 -15.5257 -15.4534 -15.4534 -6.0045 -6.0045 -5.9906 -5.9906 -3.5105 -3.5105 -3.0877 -3.0877 -3.0857 -3.0857 -2.7156 -2.7156 -2.6880 -2.6880 -2.4166 -2.4166 -0.5019 -0.5019 -0.4624 -0.4624 -0.4575 -0.4575 0.2105 0.2105 0.3713 0.3713 0.4683 0.4683 0.4756 0.4756 0.4810 0.4810 0.7703 0.7703 0.7784 0.7784 1.6007 1.6007 1.6024 1.6024 7.0069 7.0069 7.0575 7.0575 7.1895 7.1895 9.4685 9.4685 9.4852 9.4852 k = 0.3333 0.5774 0.4353 ( 5709 PWs) bands (ev): -17.6340 -17.6340 -17.6299 -17.6299 -15.7398 -15.7398 -15.5282 -15.5282 -15.5256 -15.5256 -15.4546 -15.4546 -6.0056 -6.0056 -5.9917 -5.9917 -3.5095 -3.5095 -3.0812 -3.0812 -3.0796 -3.0796 -2.7238 -2.7238 -2.6959 -2.6959 -2.4181 -2.4181 -0.4954 -0.4954 -0.4534 -0.4534 -0.4485 -0.4485 0.2320 0.2320 0.3691 0.3691 0.4451 0.4451 0.4735 0.4735 0.4736 0.4736 0.7648 0.7648 0.7730 0.7730 1.6039 1.6039 1.6055 1.6055 7.0062 7.0062 7.0573 7.0573 7.1941 7.1941 9.4649 9.4649 9.4817 9.4817 k = 0.3333 0.5774 0.4521 ( 5700 PWs) bands (ev): -17.6340 -17.6340 -17.6299 -17.6299 -15.7390 -15.7390 -15.5282 -15.5282 -15.5256 -15.5256 -15.4554 -15.4554 -6.0063 -6.0063 -5.9925 -5.9925 -3.5087 -3.5087 -3.0764 -3.0764 -3.0751 -3.0751 -2.7300 -2.7300 -2.7017 -2.7017 -2.4193 -2.4193 -0.4906 -0.4906 -0.4468 -0.4468 -0.4420 -0.4420 0.2520 0.2520 0.3673 0.3673 0.4208 0.4208 0.4714 0.4714 0.4720 0.4720 0.7608 0.7608 0.7691 0.7691 1.6062 1.6062 1.6078 1.6078 7.0057 7.0057 7.0572 7.0572 7.1974 7.1974 9.4622 9.4622 9.4791 9.4791 k = 0.3333 0.5774 0.4688 ( 5697 PWs) bands (ev): -17.6340 -17.6340 -17.6299 -17.6299 -15.7385 -15.7385 -15.5281 -15.5281 -15.5256 -15.5256 -15.4560 -15.4560 -6.0068 -6.0068 -5.9930 -5.9930 -3.5082 -3.5082 -3.0734 -3.0734 -3.0723 -3.0723 -2.7338 -2.7338 -2.7053 -2.7053 -2.4199 -2.4199 -0.4877 -0.4877 -0.4428 -0.4428 -0.4381 -0.4381 0.2678 0.2678 0.3660 0.3660 0.4025 0.4025 0.4703 0.4703 0.4711 0.4711 0.7584 0.7584 0.7667 0.7667 1.6075 1.6075 1.6092 1.6092 7.0054 7.0054 7.0571 7.0571 7.1994 7.1994 9.4605 9.4605 9.4775 9.4775 k = 0.3333 0.5774 0.4856 ( 5694 PWs) bands (ev): -17.6340 -17.6340 -17.6299 -17.6299 -15.7383 -15.7383 -15.5281 -15.5281 -15.5256 -15.5256 -15.4561 -15.4561 -6.0070 -6.0070 -5.9931 -5.9931 -3.5081 -3.5081 -3.0723 -3.0723 -3.0713 -3.0713 -2.7351 -2.7351 -2.7065 -2.7065 -2.4202 -2.4202 -0.4867 -0.4867 -0.4415 -0.4415 -0.4368 -0.4368 0.2742 0.2742 0.3653 0.3653 0.3955 0.3955 0.4700 0.4700 0.4708 0.4708 0.7576 0.7576 0.7659 0.7659 1.6080 1.6080 1.6096 1.6096 7.0053 7.0053 7.0570 7.0570 7.2001 7.2001 9.4599 9.4599 9.4769 9.4769 Writing output data file ZrP2xHO3x2.save init_run : 0.67s CPU 0.80s WALL ( 1 calls) electrons : 360.94s CPU 364.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 360.94s CPU 364.99s 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 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 282 calls) cegterg : 340.18s CPU 343.68s WALL ( 903 calls) Called by sum_band: Called by *egterg: h_psi : 169.76s CPU 171.59s WALL ( 16696 calls) s_psi : 9.38s CPU 9.68s WALL ( 16696 calls) g_psi : 0.50s CPU 0.52s WALL ( 15511 calls) cdiaghg : 132.26s CPU 133.65s WALL ( 15793 calls) cegterg:over : 15.37s CPU 15.06s WALL ( 15511 calls) cegterg:upda : 15.33s CPU 15.54s WALL ( 15511 calls) cegterg:last : 5.70s CPU 5.82s WALL ( 1749 calls) cdiaghg:chol : 7.47s CPU 7.63s WALL ( 15793 calls) cdiaghg:inve : 5.15s CPU 5.25s WALL ( 15793 calls) cdiaghg:para : 7.94s CPU 8.14s WALL ( 31586 calls) Called by h_psi: h_psi:vloc : 144.03s CPU 145.82s WALL ( 16696 calls) h_psi:vnl : 25.07s CPU 25.14s WALL ( 16696 calls) add_vuspsi : 12.68s CPU 12.39s WALL ( 16696 calls) General routines calbec : 12.32s CPU 12.71s WALL ( 16696 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 134.26s CPU 135.85s WALL ( 1306148 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.30s WALL ( 564 calls) Parallel routines fft_scatter : 45.18s CPU 45.73s WALL ( 1306171 calls) PWSCF : 6m20.10s CPU 6m35.85s WALL This run was terminated on: 19:17:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=