Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 2:24 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./SrGeTeO6.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 57 33 9 2215 971 151 Max 58 34 10 2220 987 156 Sum 2053 1189 349 79787 35325 5521 bravais-lattice index = 14 lattice parameter (alat) = 9.5727 a.u. unit-cell volume = 810.4192 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 4 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.572709 celldm(2)= 1.000000 celldm(3)= 1.066779 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 1.066779 ) 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 0.937401 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Ge 4.00 72.64000 Ge( 1.00) O 6.00 15.99940 O( 1.00) Te 6.00 127.60000 Te( 1.00) Sr 10.00 87.62000 Sr( 1.00) 6 Sym. Ops. (no 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 [0,1,0] 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 [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 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 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] Cartesian axes number of k points= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0033670 k( 9) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0033670 k( 16) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0033670 k( 17) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0033670 k( 23) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0033670 k( 24) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0033670 k( 25) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033670 k( 26) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0033670 k( 30) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0033670 k( 31) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033670 k( 32) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0033670 k( 33) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0033670 k( 34) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0033670 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0033670 k( 44) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0033670 k( 51) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0033670 k( 52) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033670 k( 53) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0033670 k( 54) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0033670 k( 55) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0033670 k( 56) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0033670 k( 57) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0033670 k( 58) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0033670 k( 65) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0033670 k( 66) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0033670 k( 67) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033670 k( 68) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0033670 k( 69) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0033670 k( 70) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0033670 k( 71) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0033670 k( 72) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0033670 k( 73) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0033670 k( 77) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0033670 k( 78) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0033670 k( 79) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0033670 k( 80) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0033670 k( 81) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033670 k( 82) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0033670 k( 83) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0033670 k( 84) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0033670 k( 85) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0033670 k( 86) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0033670 k( 87) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0033670 k( 88) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0033670 k( 90) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0033670 k( 91) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0033670 k( 92) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0033670 k( 93) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0033670 k( 94) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0033670 k( 95) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033670 k( 96) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0033670 k( 97) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0033670 k( 98) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0033670 k( 99) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0033670 k( 100) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0033670 k( 101) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0033670 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 104) = ( 0.0000000 0.0000000 0.0156234), wk = 0.0033670 k( 105) = ( 0.0000000 0.0000000 0.0312467), wk = 0.0033670 k( 106) = ( 0.0000000 0.0000000 0.0468701), wk = 0.0033670 k( 107) = ( 0.0000000 0.0000000 0.0624934), wk = 0.0033670 k( 108) = ( 0.0000000 0.0000000 0.0781168), wk = 0.0033670 k( 109) = ( 0.0000000 0.0000000 0.0937401), wk = 0.0033670 k( 110) = ( 0.0000000 0.0000000 0.1093635), wk = 0.0033670 k( 111) = ( 0.0000000 0.0000000 0.1249868), wk = 0.0033670 k( 112) = ( 0.0000000 0.0000000 0.1406102), wk = 0.0033670 k( 113) = ( 0.0000000 0.0000000 0.1562335), wk = 0.0033670 k( 114) = ( 0.0000000 0.0000000 0.1718569), wk = 0.0033670 k( 115) = ( 0.0000000 0.0000000 0.1874802), wk = 0.0033670 k( 116) = ( 0.0000000 0.0000000 0.2031036), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.2187270), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.2343503), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.2499737), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.2655970), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.2812204), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.2968437), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.3124671), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.3280904), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.3437138), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.3593371), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.3749605), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.3905838), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.4062072), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.4218306), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.4374539), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.4530773), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.4687006), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.4687006), wk = 0.0033670 k( 135) = ( 0.0138889 0.0080188 0.4687006), wk = 0.0033670 k( 136) = ( 0.0277778 0.0160375 0.4687006), wk = 0.0033670 k( 137) = ( 0.0416667 0.0240563 0.4687006), wk = 0.0033670 k( 138) = ( 0.0555556 0.0320750 0.4687006), wk = 0.0033670 k( 139) = ( 0.0694444 0.0400938 0.4687006), wk = 0.0033670 k( 140) = ( 0.0833333 0.0481125 0.4687006), wk = 0.0033670 k( 141) = ( 0.0972222 0.0561313 0.4687006), wk = 0.0033670 k( 142) = ( 0.1111111 0.0641500 0.4687006), wk = 0.0033670 k( 143) = ( 0.1250000 0.0721688 0.4687006), wk = 0.0033670 k( 144) = ( 0.1388889 0.0801875 0.4687006), wk = 0.0033670 k( 145) = ( 0.1527778 0.0882063 0.4687006), wk = 0.0033670 k( 146) = ( 0.1666667 0.0962250 0.4687006), wk = 0.0033670 k( 147) = ( 0.1805556 0.1042438 0.4687006), wk = 0.0033670 k( 148) = ( 0.1944444 0.1122625 0.4687006), wk = 0.0033670 k( 149) = ( 0.2083333 0.1202813 0.4687006), wk = 0.0033670 k( 150) = ( 0.2222222 0.1283001 0.4687006), wk = 0.0033670 k( 151) = ( 0.2361111 0.1363188 0.4687006), wk = 0.0033670 k( 152) = ( 0.2500000 0.1443376 0.4687006), wk = 0.0033670 k( 153) = ( 0.2638889 0.1523563 0.4687006), wk = 0.0033670 k( 154) = ( 0.2777778 0.1603751 0.4687006), wk = 0.0033670 k( 155) = ( 0.2916667 0.1683938 0.4687006), wk = 0.0033670 k( 156) = ( 0.3055556 0.1764126 0.4687006), wk = 0.0033670 k( 157) = ( 0.3194444 0.1844313 0.4687006), wk = 0.0033670 k( 158) = ( 0.3333333 0.1924501 0.4687006), wk = 0.0033670 k( 159) = ( 0.3472222 0.2004688 0.4687006), wk = 0.0033670 k( 160) = ( 0.3611111 0.2084876 0.4687006), wk = 0.0033670 k( 161) = ( 0.3750000 0.2165064 0.4687006), wk = 0.0033670 k( 162) = ( 0.3888889 0.2245251 0.4687006), wk = 0.0033670 k( 163) = ( 0.4027778 0.2325439 0.4687006), wk = 0.0033670 k( 164) = ( 0.4166667 0.2405626 0.4687006), wk = 0.0033670 k( 165) = ( 0.4305556 0.2485814 0.4687006), wk = 0.0033670 k( 166) = ( 0.4444444 0.2566001 0.4687006), wk = 0.0033670 k( 167) = ( 0.4583333 0.2646189 0.4687006), wk = 0.0033670 k( 168) = ( 0.4722222 0.2726376 0.4687006), wk = 0.0033670 k( 169) = ( 0.4861111 0.2806564 0.4687006), wk = 0.0033670 k( 170) = ( 0.5000000 0.2886751 0.4687006), wk = 0.0033670 k( 171) = ( 0.5000000 0.2886751 0.4687006), wk = 0.0033670 k( 172) = ( 0.4920635 0.3024216 0.4687006), wk = 0.0033670 k( 173) = ( 0.4841270 0.3161680 0.4687006), wk = 0.0033670 k( 174) = ( 0.4761905 0.3299144 0.4687006), wk = 0.0033670 k( 175) = ( 0.4682540 0.3436609 0.4687006), wk = 0.0033670 k( 176) = ( 0.4603175 0.3574073 0.4687006), wk = 0.0033670 k( 177) = ( 0.4523810 0.3711537 0.4687006), wk = 0.0033670 k( 178) = ( 0.4444444 0.3849002 0.4687006), wk = 0.0033670 k( 179) = ( 0.4365079 0.3986466 0.4687006), wk = 0.0033670 k( 180) = ( 0.4285714 0.4123930 0.4687006), wk = 0.0033670 k( 181) = ( 0.4206349 0.4261395 0.4687006), wk = 0.0033670 k( 182) = ( 0.4126984 0.4398859 0.4687006), wk = 0.0033670 k( 183) = ( 0.4047619 0.4536324 0.4687006), wk = 0.0033670 k( 184) = ( 0.3968254 0.4673788 0.4687006), wk = 0.0033670 k( 185) = ( 0.3888889 0.4811252 0.4687006), wk = 0.0033670 k( 186) = ( 0.3809524 0.4948717 0.4687006), wk = 0.0033670 k( 187) = ( 0.3730159 0.5086181 0.4687006), wk = 0.0033670 k( 188) = ( 0.3650794 0.5223645 0.4687006), wk = 0.0033670 k( 189) = ( 0.3571429 0.5361110 0.4687006), wk = 0.0033670 k( 190) = ( 0.3492063 0.5498574 0.4687006), wk = 0.0033670 k( 191) = ( 0.3412698 0.5636038 0.4687006), wk = 0.0033670 k( 192) = ( 0.3333333 0.5773503 0.4687006), wk = 0.0033670 k( 193) = ( 0.3333333 0.5773503 0.4687006), wk = 0.0033670 k( 194) = ( 0.3253968 0.5636038 0.4687006), wk = 0.0033670 k( 195) = ( 0.3174603 0.5498574 0.4687006), wk = 0.0033670 k( 196) = ( 0.3095238 0.5361110 0.4687006), wk = 0.0033670 k( 197) = ( 0.3015873 0.5223645 0.4687006), wk = 0.0033670 k( 198) = ( 0.2936508 0.5086181 0.4687006), wk = 0.0033670 k( 199) = ( 0.2857143 0.4948717 0.4687006), wk = 0.0033670 k( 200) = ( 0.2777778 0.4811252 0.4687006), wk = 0.0033670 k( 201) = ( 0.2698413 0.4673788 0.4687006), wk = 0.0033670 k( 202) = ( 0.2619048 0.4536324 0.4687006), wk = 0.0033670 k( 203) = ( 0.2539683 0.4398859 0.4687006), wk = 0.0033670 k( 204) = ( 0.2460317 0.4261395 0.4687006), wk = 0.0033670 k( 205) = ( 0.2380952 0.4123931 0.4687006), wk = 0.0033670 k( 206) = ( 0.2301587 0.3986466 0.4687006), wk = 0.0033670 k( 207) = ( 0.2222222 0.3849002 0.4687006), wk = 0.0033670 k( 208) = ( 0.2142857 0.3711537 0.4687006), wk = 0.0033670 k( 209) = ( 0.2063492 0.3574073 0.4687006), wk = 0.0033670 k( 210) = ( 0.1984127 0.3436609 0.4687006), wk = 0.0033670 k( 211) = ( 0.1904762 0.3299144 0.4687006), wk = 0.0033670 k( 212) = ( 0.1825397 0.3161680 0.4687006), wk = 0.0033670 k( 213) = ( 0.1746032 0.3024216 0.4687006), wk = 0.0033670 k( 214) = ( 0.1666667 0.2886751 0.4687006), wk = 0.0033670 k( 215) = ( 0.1587302 0.2749287 0.4687006), wk = 0.0033670 k( 216) = ( 0.1507937 0.2611823 0.4687006), wk = 0.0033670 k( 217) = ( 0.1428571 0.2474358 0.4687006), wk = 0.0033670 k( 218) = ( 0.1349206 0.2336894 0.4687006), wk = 0.0033670 k( 219) = ( 0.1269841 0.2199430 0.4687006), wk = 0.0033670 k( 220) = ( 0.1190476 0.2061965 0.4687006), wk = 0.0033670 k( 221) = ( 0.1111111 0.1924501 0.4687006), wk = 0.0033670 k( 222) = ( 0.1031746 0.1787036 0.4687006), wk = 0.0033670 k( 223) = ( 0.0952381 0.1649572 0.4687006), wk = 0.0033670 k( 224) = ( 0.0873016 0.1512108 0.4687006), wk = 0.0033670 k( 225) = ( 0.0793651 0.1374644 0.4687006), wk = 0.0033670 k( 226) = ( 0.0714286 0.1237179 0.4687006), wk = 0.0033670 k( 227) = ( 0.0634921 0.1099715 0.4687006), wk = 0.0033670 k( 228) = ( 0.0555556 0.0962251 0.4687006), wk = 0.0033670 k( 229) = ( 0.0476191 0.0824786 0.4687006), wk = 0.0033670 k( 230) = ( 0.0396825 0.0687322 0.4687006), wk = 0.0033670 k( 231) = ( 0.0317460 0.0549857 0.4687006), wk = 0.0033670 k( 232) = ( 0.0238095 0.0412393 0.4687006), wk = 0.0033670 k( 233) = ( 0.0158730 0.0274929 0.4687006), wk = 0.0033670 k( 234) = ( 0.0079365 0.0137464 0.4687006), wk = 0.0033670 k( 235) = ( 0.0000000 0.0000000 0.4687006), wk = 0.0033670 k( 236) = ( 0.5000000 0.2886751 0.4687006), wk = 0.0033670 k( 237) = ( 0.5000000 0.2886751 0.4530773), wk = 0.0033670 k( 238) = ( 0.5000000 0.2886751 0.4374539), wk = 0.0033670 k( 239) = ( 0.5000000 0.2886751 0.4218306), wk = 0.0033670 k( 240) = ( 0.5000000 0.2886751 0.4062072), wk = 0.0033670 k( 241) = ( 0.5000000 0.2886751 0.3905838), wk = 0.0033670 k( 242) = ( 0.5000000 0.2886751 0.3749605), wk = 0.0033670 k( 243) = ( 0.5000000 0.2886751 0.3593371), wk = 0.0033670 k( 244) = ( 0.5000000 0.2886751 0.3437138), wk = 0.0033670 k( 245) = ( 0.5000000 0.2886751 0.3280904), wk = 0.0033670 k( 246) = ( 0.5000000 0.2886751 0.3124671), wk = 0.0033670 k( 247) = ( 0.5000000 0.2886751 0.2968437), wk = 0.0033670 k( 248) = ( 0.5000000 0.2886751 0.2812204), wk = 0.0033670 k( 249) = ( 0.5000000 0.2886751 0.2655970), wk = 0.0033670 k( 250) = ( 0.5000000 0.2886751 0.2499737), wk = 0.0033670 k( 251) = ( 0.5000000 0.2886751 0.2343503), wk = 0.0033670 k( 252) = ( 0.5000000 0.2886751 0.2187270), wk = 0.0033670 k( 253) = ( 0.5000000 0.2886751 0.2031036), wk = 0.0033670 k( 254) = ( 0.5000000 0.2886751 0.1874802), wk = 0.0033670 k( 255) = ( 0.5000000 0.2886751 0.1718569), wk = 0.0033670 k( 256) = ( 0.5000000 0.2886751 0.1562335), wk = 0.0033670 k( 257) = ( 0.5000000 0.2886751 0.1406102), wk = 0.0033670 k( 258) = ( 0.5000000 0.2886751 0.1249868), wk = 0.0033670 k( 259) = ( 0.5000000 0.2886751 0.1093635), wk = 0.0033670 k( 260) = ( 0.5000000 0.2886751 0.0937401), wk = 0.0033670 k( 261) = ( 0.5000000 0.2886751 0.0781168), wk = 0.0033670 k( 262) = ( 0.5000000 0.2886751 0.0624934), wk = 0.0033670 k( 263) = ( 0.5000000 0.2886751 0.0468701), wk = 0.0033670 k( 264) = ( 0.5000000 0.2886751 0.0312467), wk = 0.0033670 k( 265) = ( 0.5000000 0.2886751 0.0156234), wk = 0.0033670 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 268) = ( 0.3333333 0.5773503 0.0156234), wk = 0.0033670 k( 269) = ( 0.3333333 0.5773503 0.0312467), wk = 0.0033670 k( 270) = ( 0.3333333 0.5773503 0.0468701), wk = 0.0033670 k( 271) = ( 0.3333333 0.5773503 0.0624934), wk = 0.0033670 k( 272) = ( 0.3333333 0.5773503 0.0781168), wk = 0.0033670 k( 273) = ( 0.3333333 0.5773503 0.0937401), wk = 0.0033670 k( 274) = ( 0.3333333 0.5773503 0.1093635), wk = 0.0033670 k( 275) = ( 0.3333333 0.5773503 0.1249868), wk = 0.0033670 k( 276) = ( 0.3333333 0.5773503 0.1406102), wk = 0.0033670 k( 277) = ( 0.3333333 0.5773503 0.1562335), wk = 0.0033670 k( 278) = ( 0.3333333 0.5773503 0.1718569), wk = 0.0033670 k( 279) = ( 0.3333333 0.5773503 0.1874802), wk = 0.0033670 k( 280) = ( 0.3333333 0.5773503 0.2031036), wk = 0.0033670 k( 281) = ( 0.3333333 0.5773503 0.2187270), wk = 0.0033670 k( 282) = ( 0.3333333 0.5773503 0.2343503), wk = 0.0033670 k( 283) = ( 0.3333333 0.5773503 0.2499737), wk = 0.0033670 k( 284) = ( 0.3333333 0.5773503 0.2655970), wk = 0.0033670 k( 285) = ( 0.3333333 0.5773503 0.2812204), wk = 0.0033670 k( 286) = ( 0.3333333 0.5773503 0.2968437), wk = 0.0033670 k( 287) = ( 0.3333333 0.5773503 0.3124671), wk = 0.0033670 k( 288) = ( 0.3333333 0.5773503 0.3280904), wk = 0.0033670 k( 289) = ( 0.3333333 0.5773503 0.3437138), wk = 0.0033670 k( 290) = ( 0.3333333 0.5773503 0.3593371), wk = 0.0033670 k( 291) = ( 0.3333333 0.5773503 0.3749605), wk = 0.0033670 k( 292) = ( 0.3333333 0.5773503 0.3905838), wk = 0.0033670 k( 293) = ( 0.3333333 0.5773503 0.4062072), wk = 0.0033670 k( 294) = ( 0.3333333 0.5773503 0.4218306), wk = 0.0033670 k( 295) = ( 0.3333333 0.5773503 0.4374539), wk = 0.0033670 k( 296) = ( 0.3333333 0.5773503 0.4530773), wk = 0.0033670 k( 297) = ( 0.3333333 0.5773503 0.4687006), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0138889 0.0000000 0.0000000), wk = 0.0033670 k( 3) = ( 0.0277778 0.0000000 0.0000000), wk = 0.0033670 k( 4) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0033670 k( 6) = ( 0.0694444 0.0000000 0.0000000), wk = 0.0033670 k( 7) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0033670 k( 9) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0033670 k( 10) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0033670 k( 12) = ( 0.1527778 0.0000000 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0033670 k( 14) = ( 0.1805556 0.0000000 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0033670 k( 16) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0033670 k( 17) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0033670 k( 18) = ( 0.2361111 0.0000000 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2638889 -0.0000000 0.0000000), wk = 0.0033670 k( 21) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0033670 k( 22) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0033670 k( 23) = ( 0.3055556 0.0000000 -0.0000000), wk = 0.0033670 k( 24) = ( 0.3194444 0.0000000 -0.0000000), wk = 0.0033670 k( 25) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033670 k( 26) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3611111 0.0000000 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0033670 k( 30) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0033670 k( 31) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0033670 k( 32) = ( 0.4305556 0.0000000 -0.0000000), wk = 0.0033670 k( 33) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0033670 k( 34) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0033670 k( 35) = ( 0.4722222 0.0000000 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4861111 0.0000000 -0.0000000), wk = 0.0033670 k( 37) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 38) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0033670 k( 40) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0033670 k( 43) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0033670 k( 44) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0033670 k( 47) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0033670 k( 51) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0033670 k( 52) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033670 k( 53) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0033670 k( 54) = ( 0.3730159 0.2539683 -0.0000000), wk = 0.0033670 k( 55) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0033670 k( 56) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0033670 k( 57) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0033670 k( 58) = ( 0.3412698 0.3174603 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0033670 k( 62) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0033670 k( 63) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0033670 k( 65) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0033670 k( 66) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0033670 k( 67) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0033670 k( 68) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0033670 k( 69) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0033670 k( 70) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0033670 k( 71) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0033670 k( 72) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0033670 k( 73) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0033670 k( 74) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0033670 k( 77) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0033670 k( 78) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0033670 k( 79) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0033670 k( 80) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0033670 k( 81) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033670 k( 82) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0033670 k( 83) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0033670 k( 84) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0033670 k( 85) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0033670 k( 86) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0033670 k( 87) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0033670 k( 88) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0033670 k( 90) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0033670 k( 91) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0033670 k( 92) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0033670 k( 93) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0033670 k( 94) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0033670 k( 95) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033670 k( 96) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0033670 k( 97) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0033670 k( 98) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0033670 k( 99) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0033670 k( 100) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0033670 k( 101) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0033670 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 104) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0033670 k( 105) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0033670 k( 106) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033670 k( 107) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0033670 k( 108) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033670 k( 109) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033670 k( 110) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0033670 k( 111) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0033670 k( 112) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033670 k( 113) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033670 k( 114) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0033670 k( 115) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033670 k( 116) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 135) = ( 0.0138889 0.0000000 0.5000000), wk = 0.0033670 k( 136) = ( 0.0277778 0.0000000 0.5000000), wk = 0.0033670 k( 137) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0033670 k( 138) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0033670 k( 139) = ( 0.0694444 0.0000000 0.5000000), wk = 0.0033670 k( 140) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033670 k( 141) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0033670 k( 142) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0033670 k( 143) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033670 k( 144) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0033670 k( 145) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0033670 k( 146) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0033670 k( 147) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0033670 k( 148) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0033670 k( 149) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0033670 k( 150) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0033670 k( 151) = ( 0.2361111 0.0000000 0.5000000), wk = 0.0033670 k( 152) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033670 k( 153) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0033670 k( 154) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0033670 k( 155) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0033670 k( 156) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0033670 k( 157) = ( 0.3194444 0.0000000 0.5000000), wk = 0.0033670 k( 158) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033670 k( 159) = ( 0.3472222 0.0000000 0.5000000), wk = 0.0033670 k( 160) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0033670 k( 161) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0033670 k( 162) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0033670 k( 163) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0033670 k( 164) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0033670 k( 165) = ( 0.4305556 0.0000000 0.5000000), wk = 0.0033670 k( 166) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0033670 k( 167) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0033670 k( 168) = ( 0.4722222 0.0000000 0.5000000), wk = 0.0033670 k( 169) = ( 0.4861111 0.0000000 0.5000000), wk = 0.0033670 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 172) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0033670 k( 173) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0033670 k( 174) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0033670 k( 175) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0033670 k( 176) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0033670 k( 177) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0033670 k( 178) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033670 k( 179) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0033670 k( 180) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0033670 k( 181) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0033670 k( 182) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0033670 k( 183) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0033670 k( 184) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0033670 k( 185) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033670 k( 186) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0033670 k( 187) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0033670 k( 188) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0033670 k( 189) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0033670 k( 190) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0033670 k( 191) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0033670 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 194) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0033670 k( 195) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0033670 k( 196) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0033670 k( 197) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0033670 k( 198) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0033670 k( 199) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0033670 k( 200) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033670 k( 201) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0033670 k( 202) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0033670 k( 203) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0033670 k( 204) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0033670 k( 205) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0033670 k( 206) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0033670 k( 207) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033670 k( 208) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0033670 k( 209) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0033670 k( 210) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0033670 k( 211) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0033670 k( 212) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0033670 k( 213) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0033670 k( 214) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033670 k( 215) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0033670 k( 216) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0033670 k( 217) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0033670 k( 218) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0033670 k( 219) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0033670 k( 220) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0033670 k( 221) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033670 k( 222) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0033670 k( 223) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0033670 k( 224) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0033670 k( 225) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0033670 k( 226) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0033670 k( 227) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0033670 k( 228) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033670 k( 229) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0033670 k( 230) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0033670 k( 231) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0033670 k( 232) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0033670 k( 233) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0033670 k( 234) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0033670 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 237) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0033670 k( 238) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0033670 k( 239) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033670 k( 240) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0033670 k( 241) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033670 k( 242) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033670 k( 243) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0033670 k( 244) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0033670 k( 245) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033670 k( 246) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033670 k( 247) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0033670 k( 248) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033670 k( 249) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0033670 k( 250) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0033670 k( 251) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033670 k( 252) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0033670 k( 253) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0033670 k( 254) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033670 k( 255) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0033670 k( 256) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033670 k( 257) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033670 k( 258) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0033670 k( 259) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0033670 k( 260) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033670 k( 261) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033670 k( 262) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0033670 k( 263) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033670 k( 264) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0033670 k( 265) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0033670 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033670 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 268) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0033670 k( 269) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0033670 k( 270) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033670 k( 271) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0033670 k( 272) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033670 k( 273) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033670 k( 274) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0033670 k( 275) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0033670 k( 276) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033670 k( 277) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033670 k( 278) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0033670 k( 279) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033670 k( 280) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0033670 k( 281) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0033670 k( 282) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033670 k( 283) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0033670 k( 284) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0033670 k( 285) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033670 k( 286) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0033670 k( 287) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033670 k( 288) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033670 k( 289) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0033670 k( 290) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0033670 k( 291) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033670 k( 292) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033670 k( 293) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0033670 k( 294) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033670 k( 295) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0033670 k( 296) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0033670 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 Dense grid: 79787 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 35325 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 262, 68) NL pseudopotentials 0.33 Mb ( 131, 166) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2217) G-vector shells 0.01 Mb ( 1089) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.09 Mb ( 262, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.34 Mb ( 166, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrGeTeO6.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.9 secs Computing kpt #: 4 total cpu time spent up to now is 8.2 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.8 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 13.3 secs Computing kpt #: 9 total cpu time spent up to now is 14.6 secs Computing kpt #: 10 total cpu time spent up to now is 15.9 secs Computing kpt #: 11 total cpu time spent up to now is 17.2 secs Computing kpt #: 12 total cpu time spent up to now is 18.4 secs Computing kpt #: 13 total cpu time spent up to now is 19.7 secs Computing kpt #: 14 total cpu time spent up to now is 21.0 secs Computing kpt #: 15 total cpu time spent up to now is 22.2 secs Computing kpt #: 16 total cpu time spent up to now is 23.6 secs Computing kpt #: 17 total cpu time spent up to now is 24.9 secs Computing kpt #: 18 total cpu time spent up to now is 26.2 secs Computing kpt #: 19 total cpu time spent up to now is 27.5 secs Computing kpt #: 20 total cpu time spent up to now is 28.9 secs Computing kpt #: 21 total cpu time spent up to now is 30.4 secs Computing kpt #: 22 total cpu time spent up to now is 31.7 secs Computing kpt #: 23 total cpu time spent up to now is 33.1 secs Computing kpt #: 24 total cpu time spent up to now is 34.6 secs Computing kpt #: 25 total cpu time spent up to now is 36.1 secs Computing kpt #: 26 total cpu time spent up to now is 37.5 secs Computing kpt #: 27 total cpu time spent up to now is 39.0 secs Computing kpt #: 28 total cpu time spent up to now is 40.5 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 43.4 secs Computing kpt #: 31 total cpu time spent up to now is 44.9 secs Computing kpt #: 32 total cpu time spent up to now is 46.4 secs Computing kpt #: 33 total cpu time spent up to now is 47.9 secs Computing kpt #: 34 total cpu time spent up to now is 49.2 secs Computing kpt #: 35 total cpu time spent up to now is 50.7 secs Computing kpt #: 36 total cpu time spent up to now is 52.0 secs Computing kpt #: 37 total cpu time spent up to now is 53.3 secs Computing kpt #: 38 total cpu time spent up to now is 54.7 secs Computing kpt #: 39 total cpu time spent up to now is 56.0 secs Computing kpt #: 40 total cpu time spent up to now is 57.5 secs Computing kpt #: 41 total cpu time spent up to now is 58.8 secs Computing kpt #: 42 total cpu time spent up to now is 60.3 secs Computing kpt #: 43 total cpu time spent up to now is 61.7 secs Computing kpt #: 44 total cpu time spent up to now is 63.1 secs Computing kpt #: 45 total cpu time spent up to now is 64.5 secs Computing kpt #: 46 total cpu time spent up to now is 65.9 secs Computing kpt #: 47 total cpu time spent up to now is 67.3 secs Computing kpt #: 48 total cpu time spent up to now is 68.7 secs Computing kpt #: 49 total cpu time spent up to now is 70.1 secs Computing kpt #: 50 total cpu time spent up to now is 71.5 secs Computing kpt #: 51 total cpu time spent up to now is 72.9 secs Computing kpt #: 52 total cpu time spent up to now is 74.3 secs Computing kpt #: 53 total cpu time spent up to now is 75.6 secs Computing kpt #: 54 total cpu time spent up to now is 77.0 secs Computing kpt #: 55 total cpu time spent up to now is 78.3 secs Computing kpt #: 56 total cpu time spent up to now is 79.7 secs Computing kpt #: 57 total cpu time spent up to now is 81.0 secs Computing kpt #: 58 total cpu time spent up to now is 82.4 secs Computing kpt #: 59 total cpu time spent up to now is 83.8 secs Computing kpt #: 60 total cpu time spent up to now is 85.2 secs Computing kpt #: 61 total cpu time spent up to now is 86.6 secs Computing kpt #: 62 total cpu time spent up to now is 87.9 secs Computing kpt #: 63 total cpu time spent up to now is 89.2 secs Computing kpt #: 64 total cpu time spent up to now is 90.6 secs Computing kpt #: 65 total cpu time spent up to now is 91.9 secs Computing kpt #: 66 total cpu time spent up to now is 93.2 secs Computing kpt #: 67 total cpu time spent up to now is 94.6 secs Computing kpt #: 68 total cpu time spent up to now is 96.0 secs Computing kpt #: 69 total cpu time spent up to now is 97.4 secs Computing kpt #: 70 total cpu time spent up to now is 98.8 secs Computing kpt #: 71 total cpu time spent up to now is 100.2 secs Computing kpt #: 72 total cpu time spent up to now is 101.6 secs Computing kpt #: 73 total cpu time spent up to now is 103.0 secs Computing kpt #: 74 total cpu time spent up to now is 104.4 secs Computing kpt #: 75 total cpu time spent up to now is 105.9 secs Computing kpt #: 76 total cpu time spent up to now is 107.3 secs Computing kpt #: 77 total cpu time spent up to now is 108.6 secs Computing kpt #: 78 total cpu time spent up to now is 110.0 secs Computing kpt #: 79 total cpu time spent up to now is 111.3 secs Computing kpt #: 80 total cpu time spent up to now is 112.6 secs Computing kpt #: 81 total cpu time spent up to now is 113.9 secs Computing kpt #: 82 total cpu time spent up to now is 115.2 secs Computing kpt #: 83 total cpu time spent up to now is 116.5 secs Computing kpt #: 84 total cpu time spent up to now is 117.8 secs Computing kpt #: 85 total cpu time spent up to now is 119.0 secs Computing kpt #: 86 total cpu time spent up to now is 120.2 secs Computing kpt #: 87 total cpu time spent up to now is 121.5 secs Computing kpt #: 88 total cpu time spent up to now is 122.8 secs Computing kpt #: 89 total cpu time spent up to now is 124.3 secs Computing kpt #: 90 total cpu time spent up to now is 125.7 secs Computing kpt #: 91 total cpu time spent up to now is 127.0 secs Computing kpt #: 92 total cpu time spent up to now is 128.2 secs Computing kpt #: 93 total cpu time spent up to now is 129.5 secs Computing kpt #: 94 total cpu time spent up to now is 130.8 secs Computing kpt #: 95 total cpu time spent up to now is 132.0 secs Computing kpt #: 96 total cpu time spent up to now is 133.3 secs Computing kpt #: 97 total cpu time spent up to now is 134.6 secs Computing kpt #: 98 total cpu time spent up to now is 135.9 secs Computing kpt #: 99 total cpu time spent up to now is 137.2 secs Computing kpt #: 100 total cpu time spent up to now is 138.4 secs Computing kpt #: 101 total cpu time spent up to now is 139.8 secs Computing kpt #: 102 total cpu time spent up to now is 141.1 secs Computing kpt #: 103 total cpu time spent up to now is 142.5 secs Computing kpt #: 104 total cpu time spent up to now is 143.8 secs Computing kpt #: 105 total cpu time spent up to now is 145.0 secs Computing kpt #: 106 total cpu time spent up to now is 146.3 secs Computing kpt #: 107 total cpu time spent up to now is 147.7 secs Computing kpt #: 108 total cpu time spent up to now is 149.0 secs Computing kpt #: 109 total cpu time spent up to now is 150.3 secs Computing kpt #: 110 total cpu time spent up to now is 151.7 secs Computing kpt #: 111 total cpu time spent up to now is 153.1 secs Computing kpt #: 112 total cpu time spent up to now is 154.5 secs Computing kpt #: 113 total cpu time spent up to now is 155.8 secs Computing kpt #: 114 total cpu time spent up to now is 157.0 secs Computing kpt #: 115 total cpu time spent up to now is 158.3 secs Computing kpt #: 116 total cpu time spent up to now is 159.5 secs Computing kpt #: 117 total cpu time spent up to now is 160.6 secs Computing kpt #: 118 total cpu time spent up to now is 161.8 secs Computing kpt #: 119 total cpu time spent up to now is 162.9 secs Computing kpt #: 120 total cpu time spent up to now is 164.0 secs Computing kpt #: 121 total cpu time spent up to now is 165.2 secs Computing kpt #: 122 total cpu time spent up to now is 166.3 secs Computing kpt #: 123 total cpu time spent up to now is 167.4 secs Computing kpt #: 124 total cpu time spent up to now is 168.5 secs Computing kpt #: 125 total cpu time spent up to now is 169.6 secs Computing kpt #: 126 total cpu time spent up to now is 170.7 secs Computing kpt #: 127 total cpu time spent up to now is 171.8 secs Computing kpt #: 128 total cpu time spent up to now is 173.0 secs Computing kpt #: 129 total cpu time spent up to now is 174.1 secs Computing kpt #: 130 total cpu time spent up to now is 175.2 secs Computing kpt #: 131 total cpu time spent up to now is 176.3 secs Computing kpt #: 132 total cpu time spent up to now is 177.4 secs Computing kpt #: 133 total cpu time spent up to now is 178.5 secs Computing kpt #: 134 total cpu time spent up to now is 179.6 secs Computing kpt #: 135 total cpu time spent up to now is 180.6 secs Computing kpt #: 136 total cpu time spent up to now is 181.7 secs Computing kpt #: 137 total cpu time spent up to now is 182.8 secs Computing kpt #: 138 total cpu time spent up to now is 183.9 secs Computing kpt #: 139 total cpu time spent up to now is 185.0 secs Computing kpt #: 140 total cpu time spent up to now is 186.2 secs Computing kpt #: 141 total cpu time spent up to now is 187.3 secs Computing kpt #: 142 total cpu time spent up to now is 188.4 secs Computing kpt #: 143 total cpu time spent up to now is 189.4 secs Computing kpt #: 144 total cpu time spent up to now is 190.6 secs Computing kpt #: 145 total cpu time spent up to now is 191.6 secs Computing kpt #: 146 total cpu time spent up to now is 192.8 secs Computing kpt #: 147 total cpu time spent up to now is 193.9 secs Computing kpt #: 148 total cpu time spent up to now is 195.0 secs Computing kpt #: 149 total cpu time spent up to now is 196.1 secs Computing kpt #: 150 total cpu time spent up to now is 197.2 secs Computing kpt #: 151 total cpu time spent up to now is 198.4 secs Computing kpt #: 152 total cpu time spent up to now is 199.5 secs Computing kpt #: 153 total cpu time spent up to now is 200.8 secs Computing kpt #: 154 total cpu time spent up to now is 202.0 secs Computing kpt #: 155 total cpu time spent up to now is 203.3 secs Computing kpt #: 156 total cpu time spent up to now is 204.6 secs Computing kpt #: 157 total cpu time spent up to now is 205.9 secs Computing kpt #: 158 total cpu time spent up to now is 207.3 secs Computing kpt #: 159 total cpu time spent up to now is 208.7 secs Computing kpt #: 160 total cpu time spent up to now is 210.1 secs Computing kpt #: 161 total cpu time spent up to now is 211.5 secs Computing kpt #: 162 total cpu time spent up to now is 213.0 secs Computing kpt #: 163 total cpu time spent up to now is 214.5 secs Computing kpt #: 164 total cpu time spent up to now is 215.9 secs Computing kpt #: 165 total cpu time spent up to now is 217.4 secs Computing kpt #: 166 total cpu time spent up to now is 218.8 secs Computing kpt #: 167 total cpu time spent up to now is 220.2 secs Computing kpt #: 168 total cpu time spent up to now is 221.6 secs Computing kpt #: 169 total cpu time spent up to now is 222.9 secs Computing kpt #: 170 total cpu time spent up to now is 224.2 secs Computing kpt #: 171 total cpu time spent up to now is 225.5 secs Computing kpt #: 172 total cpu time spent up to now is 226.9 secs Computing kpt #: 173 total cpu time spent up to now is 228.3 secs Computing kpt #: 174 total cpu time spent up to now is 229.7 secs Computing kpt #: 175 total cpu time spent up to now is 231.1 secs Computing kpt #: 176 total cpu time spent up to now is 232.5 secs Computing kpt #: 177 total cpu time spent up to now is 233.9 secs Computing kpt #: 178 total cpu time spent up to now is 235.3 secs Computing kpt #: 179 total cpu time spent up to now is 236.6 secs Computing kpt #: 180 total cpu time spent up to now is 238.0 secs Computing kpt #: 181 total cpu time spent up to now is 239.3 secs Computing kpt #: 182 total cpu time spent up to now is 240.7 secs Computing kpt #: 183 total cpu time spent up to now is 242.1 secs Computing kpt #: 184 total cpu time spent up to now is 243.5 secs Computing kpt #: 185 total cpu time spent up to now is 245.0 secs Computing kpt #: 186 total cpu time spent up to now is 246.3 secs Computing kpt #: 187 total cpu time spent up to now is 247.8 secs Computing kpt #: 188 total cpu time spent up to now is 249.2 secs Computing kpt #: 189 total cpu time spent up to now is 250.5 secs Computing kpt #: 190 total cpu time spent up to now is 251.9 secs Computing kpt #: 191 total cpu time spent up to now is 253.3 secs Computing kpt #: 192 total cpu time spent up to now is 254.8 secs Computing kpt #: 193 total cpu time spent up to now is 256.2 secs Computing kpt #: 194 total cpu time spent up to now is 257.6 secs Computing kpt #: 195 total cpu time spent up to now is 259.0 secs Computing kpt #: 196 total cpu time spent up to now is 260.4 secs Computing kpt #: 197 total cpu time spent up to now is 261.8 secs Computing kpt #: 198 total cpu time spent up to now is 263.1 secs Computing kpt #: 199 total cpu time spent up to now is 264.4 secs Computing kpt #: 200 total cpu time spent up to now is 265.7 secs Computing kpt #: 201 total cpu time spent up to now is 267.0 secs Computing kpt #: 202 total cpu time spent up to now is 268.3 secs Computing kpt #: 203 total cpu time spent up to now is 269.6 secs Computing kpt #: 204 total cpu time spent up to now is 270.9 secs Computing kpt #: 205 total cpu time spent up to now is 272.3 secs Computing kpt #: 206 total cpu time spent up to now is 273.7 secs Computing kpt #: 207 total cpu time spent up to now is 275.1 secs Computing kpt #: 208 total cpu time spent up to now is 276.5 secs Computing kpt #: 209 total cpu time spent up to now is 277.9 secs Computing kpt #: 210 total cpu time spent up to now is 279.3 secs Computing kpt #: 211 total cpu time spent up to now is 280.7 secs Computing kpt #: 212 total cpu time spent up to now is 282.1 secs Computing kpt #: 213 total cpu time spent up to now is 283.4 secs Computing kpt #: 214 total cpu time spent up to now is 284.6 secs Computing kpt #: 215 total cpu time spent up to now is 285.8 secs Computing kpt #: 216 total cpu time spent up to now is 286.9 secs Computing kpt #: 217 total cpu time spent up to now is 288.1 secs Computing kpt #: 218 total cpu time spent up to now is 289.2 secs Computing kpt #: 219 total cpu time spent up to now is 290.3 secs Computing kpt #: 220 total cpu time spent up to now is 291.4 secs Computing kpt #: 221 total cpu time spent up to now is 292.5 secs Computing kpt #: 222 total cpu time spent up to now is 293.6 secs Computing kpt #: 223 total cpu time spent up to now is 294.7 secs Computing kpt #: 224 total cpu time spent up to now is 295.8 secs Computing kpt #: 225 total cpu time spent up to now is 296.8 secs Computing kpt #: 226 total cpu time spent up to now is 297.9 secs Computing kpt #: 227 total cpu time spent up to now is 299.0 secs Computing kpt #: 228 total cpu time spent up to now is 300.1 secs Computing kpt #: 229 total cpu time spent up to now is 301.2 secs Computing kpt #: 230 total cpu time spent up to now is 302.3 secs Computing kpt #: 231 total cpu time spent up to now is 303.4 secs Computing kpt #: 232 total cpu time spent up to now is 304.5 secs Computing kpt #: 233 total cpu time spent up to now is 305.6 secs Computing kpt #: 234 total cpu time spent up to now is 306.7 secs Computing kpt #: 235 total cpu time spent up to now is 307.8 secs Computing kpt #: 236 total cpu time spent up to now is 309.2 secs Computing kpt #: 237 total cpu time spent up to now is 310.5 secs Computing kpt #: 238 total cpu time spent up to now is 311.9 secs Computing kpt #: 239 total cpu time spent up to now is 313.2 secs Computing kpt #: 240 total cpu time spent up to now is 314.6 secs Computing kpt #: 241 total cpu time spent up to now is 316.0 secs Computing kpt #: 242 total cpu time spent up to now is 317.4 secs Computing kpt #: 243 total cpu time spent up to now is 318.8 secs Computing kpt #: 244 total cpu time spent up to now is 320.2 secs Computing kpt #: 245 total cpu time spent up to now is 321.5 secs Computing kpt #: 246 total cpu time spent up to now is 323.0 secs Computing kpt #: 247 total cpu time spent up to now is 324.4 secs Computing kpt #: 248 total cpu time spent up to now is 325.8 secs Computing kpt #: 249 total cpu time spent up to now is 327.2 secs Computing kpt #: 250 total cpu time spent up to now is 328.6 secs Computing kpt #: 251 total cpu time spent up to now is 330.0 secs Computing kpt #: 252 total cpu time spent up to now is 331.4 secs Computing kpt #: 253 total cpu time spent up to now is 332.8 secs Computing kpt #: 254 total cpu time spent up to now is 334.3 secs Computing kpt #: 255 total cpu time spent up to now is 335.7 secs Computing kpt #: 256 total cpu time spent up to now is 337.1 secs Computing kpt #: 257 total cpu time spent up to now is 338.6 secs Computing kpt #: 258 total cpu time spent up to now is 340.0 secs Computing kpt #: 259 total cpu time spent up to now is 341.5 secs Computing kpt #: 260 total cpu time spent up to now is 343.0 secs Computing kpt #: 261 total cpu time spent up to now is 344.5 secs Computing kpt #: 262 total cpu time spent up to now is 346.0 secs Computing kpt #: 263 total cpu time spent up to now is 347.3 secs Computing kpt #: 264 total cpu time spent up to now is 348.8 secs Computing kpt #: 265 total cpu time spent up to now is 350.1 secs Computing kpt #: 266 total cpu time spent up to now is 351.5 secs Computing kpt #: 267 total cpu time spent up to now is 352.9 secs Computing kpt #: 268 total cpu time spent up to now is 354.2 secs Computing kpt #: 269 total cpu time spent up to now is 355.4 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 358.1 secs Computing kpt #: 272 total cpu time spent up to now is 359.4 secs Computing kpt #: 273 total cpu time spent up to now is 360.6 secs Computing kpt #: 274 total cpu time spent up to now is 361.8 secs Computing kpt #: 275 total cpu time spent up to now is 363.1 secs Computing kpt #: 276 total cpu time spent up to now is 364.2 secs Computing kpt #: 277 total cpu time spent up to now is 365.5 secs Computing kpt #: 278 total cpu time spent up to now is 366.8 secs Computing kpt #: 279 total cpu time spent up to now is 368.0 secs Computing kpt #: 280 total cpu time spent up to now is 369.2 secs Computing kpt #: 281 total cpu time spent up to now is 370.5 secs Computing kpt #: 282 total cpu time spent up to now is 371.9 secs Computing kpt #: 283 total cpu time spent up to now is 373.1 secs Computing kpt #: 284 total cpu time spent up to now is 374.4 secs Computing kpt #: 285 total cpu time spent up to now is 375.8 secs Computing kpt #: 286 total cpu time spent up to now is 377.1 secs Computing kpt #: 287 total cpu time spent up to now is 378.3 secs Computing kpt #: 288 total cpu time spent up to now is 379.7 secs Computing kpt #: 289 total cpu time spent up to now is 381.1 secs Computing kpt #: 290 total cpu time spent up to now is 382.4 secs Computing kpt #: 291 total cpu time spent up to now is 383.9 secs Computing kpt #: 292 total cpu time spent up to now is 385.5 secs Computing kpt #: 293 total cpu time spent up to now is 386.9 secs Computing kpt #: 294 total cpu time spent up to now is 388.4 secs Computing kpt #: 295 total cpu time spent up to now is 389.8 secs Computing kpt #: 296 total cpu time spent up to now is 391.2 secs Computing kpt #: 297 total cpu time spent up to now is 392.6 secs ethr = 1.79E-08, avg # of iterations = 39.3 total cpu time spent up to now is 392.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4463 PWs) bands (ev): -26.1056 -26.1056 -14.7302 -14.7302 -11.9634 -11.9634 -11.8912 -11.8912 -11.7465 -11.7465 -10.6926 -10.6926 -10.6476 -10.6476 -8.7449 -8.7449 -7.6920 -7.6920 -7.6175 -7.6175 -4.8963 -4.8963 -0.2898 -0.2898 -0.0780 -0.0780 0.4195 0.4195 0.5612 0.5612 1.3006 1.3006 1.3541 1.3541 3.6131 3.6131 3.9351 3.9351 3.9382 3.9382 4.5299 4.5299 4.8188 4.8188 4.8595 4.8595 5.0295 5.0295 5.0679 5.0679 5.0765 5.0765 5.2228 5.2228 5.2443 5.2443 9.0148 9.0148 12.2209 12.2209 13.0857 13.0857 13.6559 13.6559 13.8623 13.8623 13.8959 13.8959 k = 0.0139 0.0080-0.0000 ( 4467 PWs) bands (ev): -26.1056 -26.1056 -14.7295 -14.7295 -11.9651 -11.9640 -11.8925 -11.8925 -11.7466 -11.7454 -10.6926 -10.6921 -10.6474 -10.6474 -8.7459 -8.7442 -7.6923 -7.6923 -7.6181 -7.6172 -4.8940 -4.8939 -0.2910 -0.2907 -0.0886 -0.0692 0.4108 0.4299 0.5624 0.5624 1.3017 1.3022 1.3555 1.3556 3.6148 3.6150 3.9296 3.9305 3.9365 3.9368 4.5327 4.5347 4.8159 4.8164 4.8566 4.8567 5.0264 5.0267 5.0663 5.0687 5.0761 5.0764 5.2243 5.2253 5.2459 5.2459 9.0187 9.0188 12.2204 12.2206 13.0819 13.0921 13.6550 13.6562 13.8626 13.8626 13.8958 13.8968 k = 0.0278 0.0160-0.0000 ( 4463 PWs) bands (ev): -26.1056 -26.1056 -14.7273 -14.7273 -11.9691 -11.9671 -11.8962 -11.8961 -11.7455 -11.7432 -10.6921 -10.6911 -10.6469 -10.6469 -8.7474 -8.7440 -7.6929 -7.6929 -7.6190 -7.6171 -4.8870 -4.8869 -0.2940 -0.2935 -0.1005 -0.0624 0.4041 0.4415 0.5657 0.5659 1.3053 1.3059 1.3598 1.3603 3.6201 3.6203 3.9112 3.9136 3.9351 3.9352 4.5426 4.5464 4.8070 4.8078 4.8488 4.8492 5.0189 5.0192 5.0629 5.0657 5.0760 5.0774 5.2293 5.2311 5.2508 5.2509 9.0302 9.0305 12.2190 12.2194 13.0806 13.1011 13.6534 13.6558 13.8633 13.8635 13.8963 13.8985 k = 0.0417 0.0241-0.0000 ( 4457 PWs) bands (ev): -26.1056 -26.1056 -14.7237 -14.7237 -11.9756 -11.9729 -11.9022 -11.9018 -11.7432 -11.7399 -10.6913 -10.6897 -10.6462 -10.6461 -8.7493 -8.7442 -7.6940 -7.6939 -7.6201 -7.6173 -4.8753 -4.8753 -0.2990 -0.2983 -0.1134 -0.0580 0.3999 0.4538 0.5711 0.5718 1.3105 1.3108 1.3679 1.3694 3.6287 3.6291 3.8825 3.8858 3.9331 3.9332 4.5582 4.5637 4.7904 4.7909 4.8379 4.8394 5.0086 5.0103 5.0561 5.0586 5.0764 5.0790 5.2366 5.2387 5.2590 5.2593 9.0493 9.0496 12.2169 12.2174 13.0819 13.1126 13.6511 13.6546 13.8643 13.8649 13.8977 13.9010 k = 0.0556 0.0321-0.0000 ( 4436 PWs) bands (ev): -26.1055 -26.1055 -14.7186 -14.7186 -11.9850 -11.9818 -11.9099 -11.9090 -11.7398 -11.7355 -10.6902 -10.6881 -10.6451 -10.6449 -8.7515 -8.7448 -7.6955 -7.6954 -7.6214 -7.6178 -4.8591 -4.8590 -0.3058 -0.3052 -0.1269 -0.0558 0.3985 0.4668 0.5783 0.5800 1.3155 1.3161 1.3808 1.3841 3.6406 3.6411 3.8452 3.8493 3.9305 3.9305 4.5776 4.5846 4.7647 4.7649 4.8258 4.8288 4.9978 5.0013 5.0465 5.0486 5.0766 5.0798 5.2444 5.2465 5.2705 5.2713 9.0755 9.0760 12.2139 12.2146 13.0857 13.1266 13.6481 13.6525 13.8654 13.8665 13.8999 13.9045 k = 0.0694 0.0401-0.0000 ( 4436 PWs) bands (ev): -26.1055 -26.1055 -14.7121 -14.7121 -11.9975 -11.9942 -11.9188 -11.9172 -11.7352 -11.7300 -10.6889 -10.6862 -10.6436 -10.6434 -8.7541 -8.7458 -7.6974 -7.6973 -7.6230 -7.6185 -4.8385 -4.8383 -0.3147 -0.3141 -0.1404 -0.0558 0.3998 0.4802 0.5872 0.5901 1.3196 1.3214 1.3992 1.4046 3.6554 3.6560 3.8013 3.8057 3.9273 3.9273 4.5986 4.6073 4.7302 4.7315 4.8125 4.8171 4.9878 4.9934 5.0347 5.0364 5.0763 5.0796 5.2519 5.2539 5.2847 5.2858 9.1085 9.1091 12.2102 12.2110 13.0920 13.1430 13.6442 13.6495 13.8662 13.8681 13.9031 13.9089 k = 0.0833 0.0481-0.0000 ( 4424 PWs) bands (ev): -26.1055 -26.1055 -14.7042 -14.7042 -12.0135 -12.0105 -11.9284 -11.9259 -11.7295 -11.7235 -10.6877 -10.6844 -10.6416 -10.6413 -8.7570 -8.7472 -7.6998 -7.6995 -7.6248 -7.6194 -4.8134 -4.8132 -0.3254 -0.3250 -0.1538 -0.0577 0.4038 0.4940 0.5977 0.6020 1.3232 1.3261 1.4230 1.4308 3.6726 3.6732 3.7522 3.7568 3.9238 3.9238 4.6182 4.6291 4.6896 4.6927 4.7975 4.8039 4.9790 4.9870 5.0211 5.0224 5.0757 5.0789 5.2588 5.2606 5.3006 5.3019 9.1477 9.1485 12.2057 12.2067 13.1006 13.1616 13.6395 13.6454 13.8668 13.8694 13.9073 13.9142 k = 0.0972 0.0561-0.0000 ( 4420 PWs) bands (ev): -26.1054 -26.1054 -14.6949 -14.6949 -12.0333 -12.0306 -11.9383 -11.9349 -11.7226 -11.7160 -10.6866 -10.6827 -10.6392 -10.6388 -8.7602 -8.7490 -7.7025 -7.7022 -7.6268 -7.6205 -4.7841 -4.7839 -0.3381 -0.3379 -0.1666 -0.0611 0.4105 0.5084 0.6095 0.6152 1.3265 1.3305 1.4518 1.4620 3.6883 3.6899 3.7026 3.7062 3.9203 3.9204 4.6222 4.6316 4.6610 4.6626 4.7811 4.7894 4.9717 4.9819 5.0062 5.0075 5.0752 5.0782 5.2649 5.2667 5.3173 5.3187 9.1926 9.1935 12.2005 12.2016 13.1115 13.1824 13.6336 13.6401 13.8672 13.8703 13.9126 13.9202 k = 0.1111 0.0642-0.0000 ( 4430 PWs) bands (ev): -26.1054 -26.1054 -14.6842 -14.6842 -12.0568 -12.0545 -11.9482 -11.9439 -11.7146 -11.7075 -10.6860 -10.6815 -10.6363 -10.6357 -8.7637 -8.7512 -7.7057 -7.7052 -7.6289 -7.6217 -4.7508 -4.7505 -0.3529 -0.3527 -0.1787 -0.0655 0.4194 0.5234 0.6225 0.6294 1.3301 1.3349 1.4851 1.4976 3.6414 3.6459 3.7135 3.7139 3.9177 3.9178 4.5821 4.5840 4.6687 4.6740 4.7641 4.7747 4.9648 4.9759 4.9912 4.9936 5.0752 5.0778 5.2701 5.2719 5.3342 5.3357 9.2425 9.2434 12.1945 12.1959 13.1246 13.2051 13.6265 13.6334 13.8673 13.8708 13.9187 13.9266 k = 0.1250 0.0722-0.0000 ( 4428 PWs) bands (ev): -26.1054 -26.1054 -14.6722 -14.6721 -12.0837 -12.0819 -11.9580 -11.9530 -11.7054 -11.6980 -10.6858 -10.6808 -10.6328 -10.6321 -8.7675 -8.7537 -7.7092 -7.7085 -7.6311 -7.6231 -4.7135 -4.7133 -0.3698 -0.3693 -0.1898 -0.0705 0.4303 0.5392 0.6365 0.6443 1.3340 1.3396 1.5223 1.5371 3.5832 3.5874 3.7330 3.7331 3.9169 3.9172 4.5279 4.5280 4.6792 4.6850 4.7489 4.7626 4.9555 4.9634 4.9786 4.9863 5.0763 5.0786 5.2745 5.2763 5.3509 5.3523 9.2967 9.2978 12.1880 12.1895 13.1396 13.2296 13.6180 13.6253 13.8673 13.8709 13.9255 13.9335 k = 0.1389 0.0802-0.0000 ( 4420 PWs) bands (ev): -26.1053 -26.1053 -14.6588 -14.6588 -12.1138 -12.1123 -11.9678 -11.9623 -11.6952 -11.6875 -10.6862 -10.6808 -10.6287 -10.6279 -8.7715 -8.7565 -7.7130 -7.7122 -7.6334 -7.6247 -4.6726 -4.6723 -0.3885 -0.3878 -0.1997 -0.0756 0.4428 0.5558 0.6515 0.6596 1.3384 1.3447 1.5628 1.5798 3.5234 3.5272 3.7497 3.7501 3.9198 3.9204 4.4684 4.4693 4.6804 4.6850 4.7403 4.7574 4.9407 4.9452 4.9715 4.9842 5.0792 5.0811 5.2779 5.2797 5.3669 5.3684 9.3547 9.3558 12.1808 12.1825 13.1564 13.2556 13.6082 13.6157 13.8672 13.8708 13.9329 13.9406 k = 0.1528 0.0882-0.0000 ( 4424 PWs) bands (ev): -26.1053 -26.1053 -14.6441 -14.6441 -12.1468 -12.1456 -11.9777 -11.9718 -11.6839 -11.6761 -10.6874 -10.6815 -10.6241 -10.6233 -8.7756 -8.7597 -7.7172 -7.7161 -7.6357 -7.6263 -4.6282 -4.6279 -0.4092 -0.4082 -0.2083 -0.0804 0.4566 0.5733 0.6672 0.6752 1.3436 1.3504 1.6061 1.6252 3.4629 3.4660 3.7605 3.7616 3.9289 3.9299 4.4066 4.4083 4.6685 4.6733 4.7409 4.7596 4.9218 4.9248 4.9679 4.9835 5.0841 5.0859 5.2802 5.2820 5.3822 5.3836 9.4156 9.4169 12.1731 12.1749 13.1747 13.2827 13.5969 13.6046 13.8671 13.8704 13.9408 13.9480 k = 0.1667 0.0962-0.0000 ( 4410 PWs) bands (ev): -26.1052 -26.1052 -14.6282 -14.6281 -12.1822 -12.1812 -11.9875 -11.9814 -11.6717 -11.6637 -10.6893 -10.6831 -10.6191 -10.6184 -8.7799 -8.7631 -7.7216 -7.7204 -7.6381 -7.6280 -4.5805 -4.5802 -0.4316 -0.4304 -0.2153 -0.0845 0.4714 0.5915 0.6836 0.6909 1.3496 1.3569 1.6516 1.6728 3.4022 3.4047 3.7635 3.7654 3.9456 3.9472 4.3437 4.3462 4.6487 4.6543 4.7454 4.7647 4.9010 4.9031 4.9658 4.9828 5.0914 5.0933 5.2815 5.2834 5.3964 5.3978 9.4789 9.4803 12.1650 12.1670 13.1944 13.3104 13.5846 13.5921 13.8670 13.8698 13.9491 13.9557 k = 0.1806 0.1042-0.0000 ( 4410 PWs) bands (ev): -26.1051 -26.1051 -14.6110 -14.6110 -12.2198 -12.2190 -11.9974 -11.9913 -11.6584 -11.6505 -10.6921 -10.6856 -10.6138 -10.6131 -8.7843 -8.7667 -7.7263 -7.7248 -7.6405 -7.6298 -4.5299 -4.5296 -0.4557 -0.4546 -0.2207 -0.0876 0.4869 0.6104 0.7006 0.7066 1.3564 1.3641 1.6988 1.7218 3.3421 3.3439 3.7582 3.7608 3.9698 3.9718 4.2810 4.2841 4.6254 4.6318 4.7494 4.7688 4.8790 4.8807 4.9642 4.9819 5.1010 5.1033 5.2818 5.2837 5.4094 5.4109 9.5440 9.5455 12.1564 12.1586 13.2149 13.3380 13.5717 13.5785 13.8672 13.8691 13.9579 13.9638 k = 0.1944 0.1123-0.0000 ( 4412 PWs) bands (ev): -26.1051 -26.1051 -14.5927 -14.5926 -12.2593 -12.2586 -12.0074 -12.0012 -11.6443 -11.6364 -10.6957 -10.6890 -10.6083 -10.6076 -8.7888 -8.7706 -7.7312 -7.7295 -7.6428 -7.6316 -4.4765 -4.4762 -0.4816 -0.4804 -0.2244 -0.0894 0.5026 0.6298 0.7181 0.7221 1.3641 1.3721 1.7470 1.7716 3.2833 3.2843 3.7454 3.7487 3.9998 4.0021 4.2198 4.2236 4.6005 4.6076 4.7515 4.7708 4.8563 4.8577 4.9630 4.9806 5.1127 5.1154 5.2810 5.2829 5.4213 5.4228 9.6101 9.6117 12.1476 12.1500 13.2358 13.3640 13.5597 13.5644 13.8678 13.8685 13.9672 13.9723 k = 0.2083 0.1203-0.0000 ( 4404 PWs) bands (ev): -26.1050 -26.1050 -14.5732 -14.5732 -12.3003 -12.2998 -12.0173 -12.0112 -11.6293 -11.6214 -10.7002 -10.6932 -10.6026 -10.6020 -8.7933 -8.7746 -7.7362 -7.7343 -7.6451 -7.6335 -4.4208 -4.4204 -0.5090 -0.5080 -0.2261 -0.0898 0.5184 0.6495 0.7360 0.7375 1.3728 1.3810 1.7954 1.8214 3.2265 3.2266 3.7258 3.7297 4.0329 4.0357 4.1623 4.1665 4.5746 4.5822 4.7512 4.7701 4.8332 4.8344 4.9620 4.9791 5.1260 5.1291 5.2792 5.2811 5.4319 5.4334 9.6767 9.6785 12.1386 12.1412 13.2564 13.3861 13.5503 13.5506 13.8679 13.8688 13.9770 13.9813 k = 0.2222 0.1283-0.0000 ( 4406 PWs) bands (ev): -26.1049 -26.1049 -14.5527 -14.5527 -12.3427 -12.3422 -12.0273 -12.0213 -11.6135 -11.6057 -10.7056 -10.6984 -10.5969 -10.5963 -8.7979 -8.7788 -7.7414 -7.7392 -7.6473 -7.6353 -4.3629 -4.3625 -0.5381 -0.5372 -0.2259 -0.0885 0.5339 0.6692 0.7526 0.7542 1.3824 1.3908 1.8434 1.8704 3.1719 3.1726 3.6999 3.7042 4.0612 4.0657 4.1164 4.1198 4.5481 4.5561 4.7485 4.7668 4.8099 4.8110 4.9614 4.9777 5.1406 5.1440 5.2763 5.2782 5.4412 5.4427 9.7433 9.7451 12.1297 12.1324 13.2757 13.4006 13.5374 13.5480 13.8674 13.8707 13.9872 13.9908 k = 0.2361 0.1363-0.0000 ( 4402 PWs) bands (ev): -26.1049 -26.1049 -14.5312 -14.5312 -12.3861 -12.3857 -12.0371 -12.0313 -11.5969 -11.5893 -10.7118 -10.7046 -10.5911 -10.5906 -8.8023 -8.7831 -7.7466 -7.7442 -7.6494 -7.6372 -4.3032 -4.3028 -0.5686 -0.5679 -0.2236 -0.0856 0.5488 0.6885 0.7677 0.7727 1.3929 1.4014 1.8900 1.9176 3.1211 3.1224 3.6676 3.6723 4.0434 4.0500 4.1238 4.1256 4.5211 4.5295 4.7434 4.7612 4.7867 4.7877 4.9611 4.9764 5.1558 5.1595 5.2724 5.2742 5.4492 5.4508 9.8093 9.8112 12.1209 12.1238 13.2923 13.4041 13.5271 13.5553 13.8673 13.8736 13.9979 14.0008 k = 0.2500 0.1443-0.0000 ( 4410 PWs) bands (ev): -26.1048 -26.1048 -14.5088 -14.5087 -12.4303 -12.4300 -12.0468 -12.0412 -11.5797 -11.5722 -10.7190 -10.7117 -10.5854 -10.5850 -8.8067 -8.7875 -7.7518 -7.7493 -7.6513 -7.6390 -4.2420 -4.2417 -0.6004 -0.5999 -0.2192 -0.0808 0.5628 0.7070 0.7828 0.7913 1.4043 1.4129 1.9343 1.9619 3.0751 3.0769 3.6291 3.6341 4.0032 4.0099 4.1606 4.1628 4.4938 4.5026 4.7361 4.7530 4.7643 4.7652 4.9611 4.9754 5.1712 5.1752 5.2675 5.2693 5.4560 5.4576 9.8740 9.8760 12.1124 12.1155 13.3044 13.3968 13.5211 13.5719 13.8676 13.8782 14.0090 14.0112 k = 0.2639 0.1524-0.0000 ( 4418 PWs) bands (ev): -26.1048 -26.1048 -14.4856 -14.4855 -12.4750 -12.4748 -12.0564 -12.0510 -11.5619 -11.5545 -10.7271 -10.7197 -10.5798 -10.5795 -8.8110 -8.7920 -7.7571 -7.7544 -7.6532 -7.6408 -4.1798 -4.1794 -0.6335 -0.6331 -0.2127 -0.0743 0.5757 0.7239 0.7981 0.8100 1.4166 1.4250 1.9751 2.0022 3.0354 3.0374 3.5851 3.5900 3.9663 3.9730 4.2010 4.2034 4.4662 4.4755 4.7259 4.7383 4.7446 4.7475 4.9614 4.9746 5.1866 5.1906 5.2615 5.2633 5.4615 5.4633 9.9372 9.9393 12.1046 12.1078 13.3103 13.3820 13.5213 13.5940 13.8686 13.8848 14.0203 14.0221 k = 0.2778 0.1604-0.0000 ( 4418 PWs) bands (ev): -26.1047 -26.1047 -14.4617 -14.4616 -12.5200 -12.5198 -12.0657 -12.0605 -11.5435 -11.5362 -10.7360 -10.7286 -10.5744 -10.5741 -8.8152 -8.7964 -7.7622 -7.7594 -7.6549 -7.6426 -4.1168 -4.1165 -0.6676 -0.6674 -0.2041 -0.0660 0.5871 0.7387 0.8140 0.8287 1.4295 1.4379 2.0112 2.0372 3.0032 3.0049 3.5366 3.5413 3.9345 3.9410 4.2420 4.2446 4.4386 4.4481 4.7111 4.7175 4.7281 4.7362 4.9619 4.9741 5.2016 5.2056 5.2546 5.2563 5.4661 5.4679 9.9982 10.0003 12.0976 12.1009 13.3089 13.3628 13.5284 13.6178 13.8704 13.8942 14.0319 14.0333 k = 0.2917 0.1684-0.0000 ( 4416 PWs) bands (ev): -26.1046 -26.1046 -14.4372 -14.4371 -12.5650 -12.5648 -12.0747 -12.0698 -11.5246 -11.5176 -10.7458 -10.7383 -10.5691 -10.5689 -8.8192 -8.8008 -7.7672 -7.7644 -7.6564 -7.6443 -4.0535 -4.0532 -0.7026 -0.7026 -0.1934 -0.0559 0.5969 0.7508 0.8306 0.8472 1.4431 1.4514 2.0417 2.0658 2.9796 2.9805 3.4849 3.4892 3.9076 3.9137 4.2826 4.2854 4.4108 4.4206 4.6930 4.6972 4.7154 4.7250 4.9625 4.9737 5.2160 5.2198 5.2469 5.2483 5.4696 5.4715 10.0566 10.0588 12.0916 12.0951 13.3009 13.3412 13.5416 13.6407 13.8735 13.9072 14.0436 14.0447 k = 0.3056 0.1764-0.0000 ( 4414 PWs) bands (ev): -26.1046 -26.1046 -14.4123 -14.4122 -12.6097 -12.6095 -12.0834 -12.0788 -11.5054 -11.4985 -10.7564 -10.7490 -10.5641 -10.5638 -8.8229 -8.8051 -7.7721 -7.7692 -7.6578 -7.6460 -3.9903 -3.9900 -0.7383 -0.7382 -0.1807 -0.0443 0.6048 0.7597 0.8479 0.8654 1.4573 1.4653 2.0654 2.0870 2.9652 2.9656 3.4315 3.4354 3.8846 3.8904 4.3219 4.3250 4.3830 4.3931 4.6750 4.6785 4.7037 4.7133 4.9633 4.9734 5.2294 5.2317 5.2394 5.2397 5.4723 5.4743 10.1121 10.1144 12.0870 12.0906 13.2877 13.3180 13.5591 13.6611 13.8780 13.9242 14.0554 14.0563 k = 0.3194 0.1844-0.0000 ( 4410 PWs) bands (ev): -26.1045 -26.1045 -14.3870 -14.3870 -12.6537 -12.6536 -12.0917 -12.0874 -11.4859 -11.4792 -10.7676 -10.7603 -10.5593 -10.5591 -8.8265 -8.8094 -7.7768 -7.7739 -7.6591 -7.6476 -3.9278 -3.9274 -0.7744 -0.7742 -0.1661 -0.0312 0.6109 0.7655 0.8656 0.8832 1.4719 1.4796 2.0821 2.1004 2.9592 2.9615 3.3776 3.3810 3.8650 3.8703 4.3549 4.3584 4.3625 4.3660 4.6590 4.6625 4.6922 4.7013 4.9640 4.9733 5.2270 5.2292 5.2423 5.2471 5.4743 5.4764 10.1643 10.1665 12.0839 12.0875 13.2709 13.2940 13.5790 13.6781 13.8845 13.9455 14.0670 14.0680 k = 0.3333 0.1925-0.0000 ( 4404 PWs) bands (ev): -26.1044 -26.1044 -14.3617 -14.3617 -12.6970 -12.6969 -12.0995 -12.0955 -11.4663 -11.4598 -10.7795 -10.7723 -10.5547 -10.5545 -8.8298 -8.8135 -7.7812 -7.7784 -7.6601 -7.6492 -3.8662 -3.8659 -0.8105 -0.8103 -0.1496 -0.0168 0.6149 0.7680 0.8834 0.9004 1.4867 1.4941 2.0916 2.1063 2.9626 2.9670 3.3242 3.3272 3.8480 3.8529 4.3276 4.3381 4.3920 4.3957 4.6469 4.6505 4.6809 4.6894 4.9647 4.9731 5.2165 5.2184 5.2538 5.2582 5.4757 5.4778 10.2128 10.2151 12.0824 12.0861 13.2515 13.2693 13.5996 13.6915 13.8933 13.9707 14.0785 14.0797 k = 0.3472 0.2005-0.0000 ( 4412 PWs) bands (ev): -26.1044 -26.1044 -14.3366 -14.3365 -12.7390 -12.7389 -12.1069 -12.1032 -11.4467 -11.4405 -10.7920 -10.7849 -10.5505 -10.5503 -8.8329 -8.8175 -7.7854 -7.7826 -7.6611 -7.6507 -3.8063 -3.8060 -0.8463 -0.8461 -0.1316 -0.0014 0.6170 0.7674 0.9009 0.9169 1.5016 1.5087 2.0947 2.1057 2.9745 2.9810 3.2724 3.2751 3.8333 3.8376 4.3002 4.3109 4.4194 4.4233 4.6405 4.6442 4.6697 4.6775 4.9653 4.9729 5.2049 5.2066 5.2642 5.2683 5.4766 5.4788 10.2574 10.2596 12.0828 12.0864 13.2305 13.2444 13.6197 13.7014 13.9049 13.9988 14.0896 14.0915 k = 0.3611 0.2085-0.0000 ( 4410 PWs) bands (ev): -26.1043 -26.1043 -14.3118 -14.3117 -12.7795 -12.7794 -12.1138 -12.1104 -11.4272 -11.4213 -10.8047 -10.7979 -10.5465 -10.5464 -8.8356 -8.8213 -7.7893 -7.7866 -7.6618 -7.6521 -3.7485 -3.7482 -0.8815 -0.8812 -0.1121 0.0147 0.6174 0.7639 0.9178 0.9325 1.5164 1.5231 2.0924 2.1000 2.9934 3.0019 3.2229 3.2252 3.8203 3.8243 4.2734 4.2841 4.4391 4.4430 4.6419 4.6457 4.6591 4.6660 4.9658 4.9726 5.1925 5.1940 5.2735 5.2774 5.4773 5.4794 10.2980 10.3002 12.0850 12.0886 13.2085 13.2193 13.6381 13.7085 13.9197 14.0282 14.1002 14.1038 k = 0.3750 0.2165-0.0000 ( 4410 PWs) bands (ev): -26.1043 -26.1043 -14.2876 -14.2876 -12.8181 -12.8180 -12.1201 -12.1170 -11.4081 -11.4025 -10.8177 -10.8112 -10.5429 -10.5428 -8.8381 -8.8249 -7.7929 -7.7904 -7.6624 -7.6534 -3.6934 -3.6931 -0.9156 -0.9152 -0.0913 0.0309 0.6162 0.7574 0.9337 0.9469 1.5309 1.5371 2.0862 2.0907 3.0176 3.0279 3.1763 3.1784 3.8091 3.8126 4.2471 4.2578 4.4499 4.4535 4.6474 4.6539 4.6539 4.6571 4.9661 4.9722 5.1792 5.1806 5.2816 5.2852 5.4778 5.4799 10.3344 10.3365 12.0889 12.0924 13.1860 13.1945 13.6544 13.7133 13.9376 14.0570 14.1104 14.1171 k = 0.3889 0.2245-0.0000 ( 4414 PWs) bands (ev): -26.1043 -26.1043 -14.2645 -14.2644 -12.8544 -12.8543 -12.1258 -12.1231 -11.3896 -11.3843 -10.8306 -10.8245 -10.5396 -10.5395 -8.8402 -8.8283 -7.7962 -7.7938 -7.6629 -7.6547 -3.6416 -3.6414 -0.9481 -0.9478 -0.0696 0.0470 0.6139 0.7483 0.9485 0.9602 1.5449 1.5506 2.0773 2.0794 3.0453 3.0568 3.1333 3.1354 3.7992 3.8023 4.2217 4.2322 4.4529 4.4559 4.6386 4.6444 4.6714 4.6740 4.9664 4.9718 5.1653 5.1665 5.2885 5.2918 5.4782 5.4802 10.3666 10.3685 12.0945 12.0978 13.1635 13.1701 13.6681 13.7164 13.9587 14.0821 14.1200 14.1327 k = 0.4028 0.2325-0.0000 ( 4402 PWs) bands (ev): -26.1042 -26.1042 -14.2426 -14.2425 -12.8879 -12.8879 -12.1309 -12.1285 -11.3719 -11.3669 -10.8433 -10.8376 -10.5366 -10.5366 -8.8420 -8.8314 -7.7991 -7.7969 -7.6632 -7.6559 -3.5938 -3.5936 -0.9786 -0.9783 -0.0472 0.0621 0.6110 0.7368 0.9620 0.9722 1.5582 1.5632 2.0671 2.0673 3.0720 3.0842 3.0971 3.0992 3.7908 3.7934 4.1976 4.2077 4.4507 4.4531 4.6298 4.6349 4.6948 4.6968 4.9666 4.9713 5.1508 5.1519 5.2943 5.2973 5.4786 5.4804 10.3945 10.3963 12.1013 12.1044 13.1416 13.1466 13.6794 13.7183 13.9824 14.1012 14.1290 14.1515 k = 0.4167 0.2406-0.0000 ( 4408 PWs) bands (ev): -26.1042 -26.1042 -14.2225 -14.2224 -12.9184 -12.9183 -12.1353 -12.1333 -11.3553 -11.3508 -10.8554 -10.8502 -10.5341 -10.5340 -8.8435 -8.8343 -7.8016 -7.7997 -7.6634 -7.6570 -3.5506 -3.5504 -1.0065 -1.0062 -0.0246 0.0757 0.6082 0.7232 0.9741 0.9827 1.5704 1.5748 2.0554 2.0565 3.0575 3.0580 3.1088 3.1185 3.7836 3.7858 4.1751 4.1846 4.4456 4.4474 4.6218 4.6262 4.7203 4.7219 4.9668 4.9707 5.1360 5.1370 5.2991 5.3017 5.4790 5.4806 10.4184 10.4200 12.1090 12.1118 13.1207 13.1245 13.6884 13.7192 14.0079 14.1143 14.1372 14.1714 k = 0.4306 0.2486-0.0000 ( 4408 PWs) bands (ev): -26.1041 -26.1041 -14.2045 -14.2044 -12.9452 -12.9452 -12.1391 -12.1374 -11.3402 -11.3362 -10.8665 -10.8619 -10.5319 -10.5318 -8.8446 -8.8368 -7.8037 -7.8021 -7.6635 -7.6580 -3.5127 -3.5125 -1.0313 -1.0310 -0.0022 0.0870 0.6062 0.7081 0.9845 0.9916 1.5813 1.5851 2.0446 2.0464 3.0281 3.0282 3.1367 3.1466 3.7776 3.7795 4.1548 4.1634 4.4394 4.4408 4.6149 4.6186 4.7460 4.7471 4.9669 4.9701 5.1213 5.1221 5.3029 5.3051 5.4794 5.4809 10.4382 10.4396 12.1170 12.1195 13.1015 13.1044 13.6956 13.7194 14.0343 14.1234 14.1450 14.1886 k = 0.4444 0.2566-0.0000 ( 4406 PWs) bands (ev): -26.1041 -26.1041 -14.1890 -14.1889 -12.9679 -12.9679 -12.1422 -12.1408 -11.3269 -11.3235 -10.8763 -10.8725 -10.5301 -10.5300 -8.8454 -8.8391 -7.8054 -7.8041 -7.6634 -7.6590 -3.4806 -3.4805 -1.0524 -1.0522 0.0195 0.0951 0.6058 0.6919 0.9933 0.9989 1.5907 1.5938 2.0353 2.0374 3.0029 3.0031 3.1628 3.1717 3.7728 3.7743 4.1372 4.1446 4.4333 4.4344 4.6092 4.6121 4.7701 4.7709 4.9670 4.9695 5.1072 5.1078 5.3059 5.3077 5.4799 5.4810 10.4542 10.4553 12.1248 12.1269 13.0846 13.0867 13.7012 13.7191 14.0605 14.1298 14.1523 14.2004 k = 0.4583 0.2646-0.0000 ( 4406 PWs) bands (ev): -26.1041 -26.1041 -14.1764 -14.1764 -12.9862 -12.9862 -12.1445 -12.1435 -11.3158 -11.3132 -10.8844 -10.8814 -10.5286 -10.5286 -8.8458 -8.8411 -7.8067 -7.8057 -7.6632 -7.6599 -3.4550 -3.4549 -1.0695 -1.0693 0.0400 0.0995 0.6077 0.6754 1.0003 1.0045 1.5984 1.6008 2.0279 2.0298 2.9830 2.9832 3.1851 3.1923 3.7692 3.7702 4.1229 4.1288 4.4280 4.4288 4.6047 4.6069 4.7912 4.7917 4.9671 4.9689 5.0943 5.0948 5.3081 5.3095 5.4803 5.4812 10.4665 10.4673 12.1318 12.1334 13.0706 13.0721 13.7056 13.7184 14.0849 14.1339 14.1597 14.2057 k = 0.4722 0.2726-0.0000 ( 4418 PWs) bands (ev): -26.1041 -26.1041 -14.1671 -14.1671 -12.9995 -12.9995 -12.1462 -12.1455 -11.3074 -11.3056 -10.8904 -10.8883 -10.5276 -10.5276 -8.8459 -8.8427 -7.8076 -7.8069 -7.6629 -7.6607 -3.4363 -3.4363 -1.0820 -1.0819 0.0585 0.0997 0.6124 0.6592 1.0056 1.0084 1.6042 1.6058 2.0226 2.0241 2.9687 2.9688 3.2023 3.2075 3.7666 3.7673 4.1125 4.1167 4.4240 4.4245 4.6016 4.6030 4.8079 4.8082 4.9672 4.9685 5.0838 5.0841 5.3097 5.3106 5.4806 5.4813 10.4751 10.4757 12.1373 12.1384 13.0602 13.0611 13.7091 13.7173 14.1058 14.1357 14.1679 14.2047 k = 0.4861 0.2807-0.0000 ( 4410 PWs) bands (ev): -26.1041 -26.1041 -14.1614 -14.1614 -13.0076 -13.0076 -12.1471 -12.1468 -11.3020 -11.3011 -10.8939 -10.8929 -10.5270 -10.5270 -8.8457 -8.8441 -7.8081 -7.8077 -7.6625 -7.6614 -3.4250 -3.4249 -1.0896 -1.0896 0.0743 0.0954 0.6202 0.6441 1.0090 1.0104 1.6079 1.6087 2.0196 2.0204 2.9600 2.9600 3.2137 3.2164 3.7652 3.7655 4.1065 4.1087 4.4216 4.4218 4.5998 4.6005 4.8187 4.8188 4.9674 4.9680 5.0768 5.0769 5.3108 5.3112 5.4809 5.4813 10.4804 10.4807 12.1410 12.1415 13.0539 13.0543 13.7119 13.7159 14.1212 14.1350 14.1777 14.1984 k = 0.5000 0.2887-0.0000 ( 4412 PWs) bands (ev): -26.1041 -26.1041 -14.1595 -14.1595 -13.0104 -13.0104 -12.1473 -12.1473 -11.2999 -11.2999 -10.8948 -10.8948 -10.5268 -10.5268 -8.8450 -8.8450 -7.8081 -7.8081 -7.6620 -7.6620 -3.4211 -3.4211 -1.0922 -1.0922 0.0868 0.0868 0.6309 0.6309 1.0106 1.0106 1.6094 1.6094 2.0189 2.0189 2.9571 2.9571 3.2185 3.2185 3.7648 3.7648 4.1052 4.1052 4.4208 4.4208 4.5994 4.5994 4.8225 4.8225 4.9677 4.9677 5.0743 5.0743 5.3112 5.3112 5.4812 5.4812 10.4822 10.4822 12.1424 12.1424 13.0518 13.0518 13.7141 13.7141 14.1306 14.1306 14.1886 14.1886 k = 0.5000 0.2887-0.0000 ( 4412 PWs) bands (ev): -26.1041 -26.1041 -14.1595 -14.1595 -13.0104 -13.0104 -12.1473 -12.1473 -11.2999 -11.2999 -10.8948 -10.8948 -10.5268 -10.5268 -8.8450 -8.8450 -7.8081 -7.8081 -7.6620 -7.6620 -3.4211 -3.4211 -1.0922 -1.0922 0.0868 0.0868 0.6309 0.6309 1.0106 1.0106 1.6094 1.6094 2.0189 2.0189 2.9571 2.9571 3.2185 3.2185 3.7648 3.7648 4.1052 4.1052 4.4208 4.4208 4.5994 4.5994 4.8225 4.8225 4.9677 4.9677 5.0743 5.0743 5.3112 5.3112 5.4812 5.4812 10.4822 10.4822 12.1424 12.1424 13.0518 13.0518 13.7141 13.7141 14.1306 14.1306 14.1886 14.1886 k = 0.4921 0.3024-0.0000 ( 4416 PWs) bands (ev): -26.1041 -26.1041 -14.1589 -14.1589 -13.0127 -13.0095 -12.1499 -12.1452 -11.2997 -11.2994 -10.8949 -10.8949 -10.5271 -10.5268 -8.8460 -8.8441 -7.8092 -7.8071 -7.6624 -7.6616 -3.4198 -3.4190 -1.0978 -1.0913 0.0852 0.0899 0.6268 0.6346 1.0032 1.0198 1.6101 1.6121 2.0181 2.0202 2.9555 2.9556 3.2105 3.2133 3.7688 3.7719 4.1068 4.1070 4.4209 4.4212 4.5995 4.5997 4.8209 4.8217 4.9669 4.9678 5.0735 5.0751 5.3109 5.3125 5.4805 5.4811 10.4821 10.4824 12.1422 12.1431 13.0490 13.0558 13.6878 13.7237 14.1147 14.1443 14.1808 14.1977 k = 0.4841 0.3162-0.0000 ( 4416 PWs) bands (ev): -26.1041 -26.1041 -14.1572 -14.1571 -13.0165 -13.0100 -12.1530 -12.1436 -11.2989 -11.2983 -10.8953 -10.8952 -10.5276 -10.5271 -8.8469 -8.8432 -7.8104 -7.8061 -7.6629 -7.6613 -3.4150 -3.4134 -1.1079 -1.0950 0.0849 0.0945 0.6221 0.6377 0.9975 1.0307 1.6144 1.6183 2.0177 2.0218 2.9509 2.9511 3.1902 3.1954 3.7832 3.7890 4.1115 4.1119 4.4213 4.4219 4.5998 4.6003 4.8169 4.8183 4.9655 4.9672 5.0727 5.0757 5.3114 5.3146 5.4792 5.4804 10.4821 10.4827 12.1425 12.1442 13.0472 13.0611 13.6490 13.7148 14.1004 14.1496 14.1770 14.2078 k = 0.4762 0.3299-0.0000 ( 4396 PWs) bands (ev): -26.1041 -26.1041 -14.1543 -14.1542 -13.0216 -13.0119 -12.1564 -12.1424 -11.2974 -11.2966 -10.8959 -10.8957 -10.5285 -10.5277 -8.8477 -8.8422 -7.8116 -7.8051 -7.6635 -7.6611 -3.4068 -3.4045 -1.1224 -1.1032 0.0861 0.1005 0.6169 0.6401 0.9938 1.0432 1.6222 1.6279 2.0178 2.0239 2.9433 2.9437 3.1599 3.1669 3.8063 3.8142 4.1194 4.1200 4.4222 4.4231 4.6004 4.6011 4.8105 4.8127 4.9634 4.9658 5.0720 5.0764 5.3127 5.3174 5.4772 5.4790 10.4823 10.4830 12.1433 12.1459 13.0465 13.0675 13.6019 13.6889 14.0883 14.1422 14.1816 14.2182 k = 0.4683 0.3437-0.0000 ( 4400 PWs) bands (ev): -26.1041 -26.1041 -14.1503 -14.1502 -13.0280 -13.0152 -12.1603 -12.1418 -11.2953 -11.2943 -10.8966 -10.8964 -10.5296 -10.5285 -8.8486 -8.8413 -7.8128 -7.8043 -7.6641 -7.6609 -3.3953 -3.3922 -1.1410 -1.1158 0.0886 0.1078 0.6112 0.6418 0.9920 1.0571 1.6333 1.6407 2.0184 2.0266 2.9330 2.9335 3.1218 3.1298 3.8356 3.8450 4.1302 4.1310 4.4235 4.4247 4.6012 4.6022 4.8021 4.8048 4.9605 4.9636 5.0715 5.0772 5.3145 5.3206 5.4746 5.4770 10.4825 10.4835 12.1446 12.1479 13.0466 13.0750 13.5500 13.6505 14.0771 14.1276 14.1903 14.2279 k = 0.4603 0.3574-0.0000 ( 4400 PWs) bands (ev): -26.1041 -26.1041 -14.1452 -14.1451 -13.0358 -13.0200 -12.1644 -12.1416 -11.2927 -11.2913 -10.8976 -10.8973 -10.5309 -10.5297 -8.8494 -8.8404 -7.8142 -7.8034 -7.6647 -7.6608 -3.3806 -3.3769 -1.1634 -1.1325 0.0925 0.1164 0.6049 0.6425 0.9922 1.0722 1.6476 1.6566 2.0197 2.0298 2.9202 2.9208 3.0779 3.0865 3.8691 3.8795 4.1436 4.1447 4.4252 4.4266 4.6022 4.6035 4.7918 4.7950 4.9569 4.9605 5.0716 5.0783 5.3166 5.3238 5.4715 5.4744 10.4829 10.4841 12.1462 12.1505 13.0473 13.0836 13.4958 13.6045 14.0652 14.1099 14.2003 14.2370 k = 0.4524 0.3712-0.0000 ( 4400 PWs) bands (ev): -26.1040 -26.1040 -14.1391 -14.1389 -13.0447 -13.0260 -12.1688 -12.1419 -11.2894 -11.2879 -10.8988 -10.8984 -10.5326 -10.5312 -8.8502 -8.8395 -7.8155 -7.8027 -7.6653 -7.6607 -3.3629 -3.3585 -1.1891 -1.1529 0.0976 0.1262 0.5980 0.6422 0.9943 1.0885 1.6649 1.6753 2.0219 2.0338 2.9051 2.9057 3.0299 3.0386 3.9050 3.9161 4.1593 4.1606 4.4272 4.4289 4.6032 4.6048 4.7799 4.7836 4.9524 4.9566 5.0724 5.0800 5.3186 5.3268 5.4679 5.4713 10.4834 10.4847 12.1483 12.1535 13.0484 13.0932 13.4414 13.5548 14.0521 14.0903 14.2103 14.2456 k = 0.4444 0.3849-0.0000 ( 4400 PWs) bands (ev): -26.1040 -26.1040 -14.1320 -14.1318 -13.0547 -13.0333 -12.1734 -12.1426 -11.2856 -11.2839 -10.9001 -10.8996 -10.5344 -10.5329 -8.8510 -8.8387 -7.8169 -7.8021 -7.6660 -7.6607 -3.3423 -3.3375 -1.2177 -1.1766 0.1039 0.1372 0.5903 0.6407 0.9982 1.1056 1.6850 1.6966 2.0250 2.0387 2.8878 2.8886 2.9793 2.9874 3.9420 3.9535 4.1769 4.1785 4.4296 4.4315 4.6041 4.6061 4.7671 4.7711 4.9472 4.9517 5.0740 5.0823 5.3202 5.3291 5.4640 5.4678 10.4839 10.4855 12.1507 12.1568 13.0497 13.1034 13.3882 13.5042 14.0377 14.0694 14.2200 14.2538 k = 0.4365 0.3986-0.0000 ( 4394 PWs) bands (ev): -26.1040 -26.1040 -14.1240 -14.1238 -13.0658 -13.0418 -12.1780 -12.1436 -11.2813 -11.2793 -10.9016 -10.9011 -10.5365 -10.5349 -8.8517 -8.8379 -7.8184 -7.8015 -7.6666 -7.6607 -3.3192 -3.3140 -1.2488 -1.2032 0.1113 0.1493 0.5818 0.6378 1.0038 1.1234 1.7075 1.7203 2.0292 2.0445 2.8679 2.8696 2.9274 2.9342 3.9793 3.9908 4.1961 4.1979 4.4323 4.4344 4.6047 4.6069 4.7537 4.7580 4.9410 4.9458 5.0765 5.0854 5.3210 5.3305 5.4600 5.4640 10.4847 10.4863 12.1535 12.1606 13.0505 13.1141 13.3374 13.4547 14.0221 14.0480 14.2292 14.2619 k = 0.4286 0.4124-0.0000 ( 4394 PWs) bands (ev): -26.1040 -26.1040 -14.1153 -14.1150 -13.0777 -13.0513 -12.1827 -12.1450 -11.2765 -11.2744 -10.9032 -10.9026 -10.5387 -10.5371 -8.8524 -8.8372 -7.8198 -7.8010 -7.6672 -7.6608 -3.2938 -3.2883 -1.2819 -1.2321 0.1199 0.1623 0.5724 0.6335 1.0110 1.1415 1.7323 1.7459 2.0348 2.0516 2.8427 2.8483 2.8772 2.8812 4.0159 4.0274 4.2164 4.2185 4.4353 4.4376 4.6045 4.6070 4.7406 4.7450 4.9340 4.9391 5.0801 5.0895 5.3207 5.3305 5.4560 5.4601 10.4855 10.4873 12.1565 12.1646 13.0505 13.1248 13.2902 13.4079 14.0055 14.0265 14.2377 14.2699 k = 0.4206 0.4261-0.0000 ( 4394 PWs) bands (ev): -26.1040 -26.1040 -14.1059 -14.1055 -13.0903 -13.0618 -12.1874 -12.1466 -11.2713 -11.2691 -10.9050 -10.9043 -10.5411 -10.5395 -8.8531 -8.8366 -7.8213 -7.8006 -7.6677 -7.6608 -3.2666 -3.2609 -1.3164 -1.2628 0.1295 0.1763 0.5622 0.6278 1.0194 1.1597 1.7588 1.7733 2.0420 2.0600 2.8028 2.8144 2.8359 2.8426 4.0514 4.0626 4.2376 4.2399 4.4387 4.4412 4.6029 4.6056 4.7286 4.7331 4.9262 4.9314 5.0847 5.0945 5.3189 5.3289 5.4523 5.4563 10.4865 10.4883 12.1597 12.1689 13.0490 13.1349 13.2475 13.3652 13.9877 14.0057 14.2458 14.2778 k = 0.4127 0.4399-0.0000 ( 4400 PWs) bands (ev): -26.1040 -26.1040 -14.0961 -14.0955 -13.1035 -13.0730 -12.1920 -12.1484 -11.2657 -11.2634 -10.9070 -10.9061 -10.5437 -10.5421 -8.8537 -8.8360 -7.8228 -7.8003 -7.6682 -7.6609 -3.2379 -3.2321 -1.3518 -1.2946 0.1402 0.1910 0.5511 0.6205 1.0287 1.1776 1.7869 1.8019 2.0510 2.0699 2.7507 2.7605 2.8114 2.8170 4.0852 4.0959 4.2591 4.2617 4.4424 4.4450 4.5992 4.6021 4.7189 4.7231 4.9176 4.9229 5.0904 5.1005 5.3154 5.3254 5.4489 5.4527 10.4876 10.4895 12.1631 12.1733 13.0452 13.1433 13.2104 13.3281 13.9687 13.9866 14.2535 14.2857 k = 0.4048 0.4536-0.0000 ( 4396 PWs) bands (ev): -26.1040 -26.1040 -14.0858 -14.0851 -13.1171 -13.0847 -12.1963 -12.1503 -11.2599 -11.2576 -10.9091 -10.9081 -10.5462 -10.5447 -8.8543 -8.8355 -7.8242 -7.8000 -7.6686 -7.6610 -3.2083 -3.2025 -1.3874 -1.3271 0.1520 0.2065 0.5392 0.6119 1.0386 1.1949 1.8161 1.8316 2.0620 2.0817 2.6956 2.7034 2.7893 2.7943 4.1169 4.1269 4.2807 4.2836 4.4465 4.4492 4.5928 4.5959 4.7123 4.7161 4.9084 4.9137 5.0972 5.1076 5.3100 5.3198 5.4461 5.4494 10.4888 10.4907 12.1664 12.1777 13.0386 13.1474 13.1808 13.2981 13.9487 13.9694 14.2609 14.2936 k = 0.3968 0.4674-0.0000 ( 4394 PWs) bands (ev): -26.1040 -26.1039 -14.0755 -14.0745 -13.1307 -13.0967 -12.2004 -12.1522 -11.2539 -11.2516 -10.9113 -10.9102 -10.5487 -10.5473 -8.8549 -8.8351 -7.8256 -7.7999 -7.6690 -7.6611 -3.1782 -3.1727 -1.4226 -1.3595 0.1647 0.2226 0.5266 0.6018 1.0487 1.2113 1.8461 1.8618 2.0752 2.0952 2.6398 2.6460 2.7678 2.7725 4.1460 4.1553 4.3020 4.3051 4.4509 4.4536 4.5833 4.5867 4.7093 4.7126 4.8987 4.9039 5.1050 5.1156 5.3025 5.3121 5.4439 5.4467 10.4902 10.4919 12.1697 12.1822 13.0289 13.1396 13.1653 13.2766 13.9287 13.9540 14.2682 14.3013 k = 0.3889 0.4811-0.0000 ( 4390 PWs) bands (ev): -26.1039 -26.1039 -14.0652 -14.0640 -13.1442 -13.1087 -12.2042 -12.1542 -11.2479 -11.2456 -10.9136 -10.9125 -10.5512 -10.5499 -8.8554 -8.8348 -7.8269 -7.7998 -7.6693 -7.6612 -3.1485 -3.1433 -1.4567 -1.3910 0.1783 0.2390 0.5133 0.5905 1.0587 1.2265 1.8763 1.8920 2.0907 2.1108 2.5842 2.5888 2.7468 2.7514 4.1721 4.1806 4.3227 4.3259 4.4556 4.4584 4.5712 4.5750 4.7094 4.7126 4.8887 4.8939 5.1139 5.1245 5.2930 5.3025 5.4423 5.4445 10.4915 10.4933 12.1728 12.1865 13.0171 13.1218 13.1604 13.2642 13.9097 13.9402 14.2754 14.3089 k = 0.3810 0.4949-0.0000 ( 4394 PWs) bands (ev): -26.1039 -26.1039 -14.0552 -14.0539 -13.1571 -13.1204 -12.2076 -12.1561 -11.2420 -11.2398 -10.9160 -10.9148 -10.5534 -10.5523 -8.8559 -8.8345 -7.8281 -7.7998 -7.6696 -7.6613 -3.1198 -3.1150 -1.4890 -1.4210 0.1926 0.2554 0.4998 0.5781 1.0682 1.2401 1.9064 1.9220 2.1086 2.1285 2.5293 2.5324 2.7269 2.7314 4.1950 4.2026 4.3425 4.3457 4.4607 4.4633 4.5572 4.5615 4.7121 4.7155 4.8788 4.8838 5.1236 5.1343 5.2818 5.2911 5.4411 5.4428 10.4929 10.4946 12.1757 12.1905 13.0047 13.1044 13.1555 13.2592 13.8922 13.9282 14.2825 14.3161 k = 0.3730 0.5086-0.0000 ( 4386 PWs) bands (ev): -26.1039 -26.1039 -14.0459 -14.0443 -13.1692 -13.1315 -12.2106 -12.1578 -11.2364 -11.2342 -10.9184 -10.9172 -10.5555 -10.5545 -8.8563 -8.8343 -7.8292 -7.7999 -7.6698 -7.6614 -3.0930 -3.0887 -1.5186 -1.4485 0.2075 0.2712 0.4864 0.5648 1.0768 1.2521 1.9358 1.9509 2.1287 2.1481 2.4751 2.4778 2.7082 2.7127 4.2145 4.2210 4.3611 4.3643 4.4658 4.4682 4.5423 4.5471 4.7165 4.7204 4.8692 4.8740 5.1341 5.1447 5.2690 5.2783 5.4404 5.4415 10.4944 10.4959 12.1782 12.1941 12.9932 13.0895 13.1494 13.2586 13.8770 13.9180 14.2896 14.3227 k = 0.3651 0.5224-0.0000 ( 4374 PWs) bands (ev): -26.1039 -26.1039 -14.0375 -14.0357 -13.1800 -13.1415 -12.2131 -12.1593 -11.2312 -11.2292 -10.9207 -10.9195 -10.5573 -10.5563 -8.8567 -8.8342 -7.8302 -7.8000 -7.6699 -7.6614 -3.0690 -3.0653 -1.5446 -1.4728 0.2227 0.2857 0.4740 0.5510 1.0843 1.2621 1.9638 1.9783 2.1510 2.1696 2.4219 2.4258 2.6915 2.6957 4.2302 4.2358 4.3783 4.3812 4.4710 4.4731 4.5274 4.5327 4.7219 4.7263 4.8604 4.8649 5.1452 5.1557 5.2552 5.2645 5.4399 5.4406 10.4957 10.4972 12.1804 12.1973 12.9838 13.0775 13.1431 13.2599 13.8644 13.9096 14.2964 14.3285 k = 0.3571 0.5361-0.0000 ( 4376 PWs) bands (ev): -26.1039 -26.1039 -14.0304 -14.0284 -13.1892 -13.1500 -12.2150 -12.1606 -11.2267 -11.2249 -10.9228 -10.9216 -10.5587 -10.5578 -8.8570 -8.8342 -7.8310 -7.8001 -7.6700 -7.6615 -3.0488 -3.0456 -1.5663 -1.4931 0.2377 0.2977 0.4635 0.5373 1.0905 1.2701 1.9896 2.0032 2.1750 2.1926 2.3710 2.3769 2.6771 2.6811 4.2423 4.2470 4.3935 4.3959 4.4758 4.4775 4.5133 4.5190 4.7274 4.7323 4.8528 4.8571 5.1568 5.1669 5.2408 5.2504 5.4396 5.4400 10.4969 10.4983 12.1821 12.1998 12.9770 13.0686 13.1369 13.2613 13.8547 13.9032 14.3029 14.3331 k = 0.3492 0.5499-0.0000 ( 4370 PWs) bands (ev): -26.1039 -26.1039 -14.0249 -14.0227 -13.1963 -13.1566 -12.2165 -12.1615 -11.2231 -11.2215 -10.9244 -10.9235 -10.5597 -10.5589 -8.8572 -8.8341 -7.8315 -7.8002 -7.6700 -7.6616 -3.0333 -3.0305 -1.5826 -1.5083 0.2515 0.3056 0.4565 0.5247 1.0950 1.2758 2.0117 2.0243 2.2001 2.2165 2.3240 2.3322 2.6659 2.6696 4.2509 4.2547 4.4058 4.4077 4.4801 4.4814 4.5011 4.5072 4.7322 4.7374 4.8472 4.8509 5.1685 5.1780 5.2267 5.2366 5.4394 5.4396 10.4980 10.4992 12.1833 12.2017 12.9730 13.0627 13.1314 13.2622 13.8481 13.8987 14.3086 14.3363 k = 0.3413 0.5636-0.0000 ( 4370 PWs) bands (ev): -26.1039 -26.1039 -14.0213 -14.0191 -13.2008 -13.1608 -12.2174 -12.1621 -11.2207 -11.2194 -10.9255 -10.9248 -10.5603 -10.5596 -8.8574 -8.8341 -7.8319 -7.8002 -7.6701 -7.6616 -3.0235 -3.0210 -1.5929 -1.5179 0.2623 0.3089 0.4533 0.5149 1.0978 1.2793 2.0278 2.0396 2.2250 2.2403 2.2839 2.2938 2.6586 2.6618 4.2559 4.2592 4.4141 4.4156 4.4833 4.4846 4.4922 4.4987 4.7355 4.7407 4.8439 4.8471 5.1792 5.1879 5.2143 5.2246 5.4393 5.4394 10.4987 10.4998 12.1841 12.2029 12.9712 13.0597 13.1273 13.2624 13.8444 13.8960 14.3129 14.3380 k = 0.3333 0.5774-0.0000 ( 4374 PWs) bands (ev): -26.1039 -26.1039 -14.0201 -14.0178 -13.2024 -13.1623 -12.2177 -12.1623 -11.2199 -11.2186 -10.9259 -10.9253 -10.5605 -10.5598 -8.8574 -8.8341 -7.8320 -7.8003 -7.6701 -7.6617 -3.0200 -3.0177 -1.5964 -1.5212 0.2669 0.3092 0.4528 0.5110 1.0988 1.2805 2.0341 2.0455 2.2426 2.2570 2.2642 2.2679 2.6560 2.6590 4.2575 4.2606 4.4169 4.4183 4.4845 4.4872 4.4878 4.4954 4.7367 4.7419 4.8428 4.8457 5.1847 5.1927 5.2082 5.2190 5.4392 5.4393 10.4989 10.5001 12.1843 12.2033 12.9708 13.0588 13.1256 13.2622 13.8433 13.8952 14.3146 14.3384 k = 0.3333 0.5774-0.0000 ( 4374 PWs) bands (ev): -26.1039 -26.1039 -14.0201 -14.0178 -13.2024 -13.1623 -12.2177 -12.1623 -11.2199 -11.2186 -10.9259 -10.9253 -10.5605 -10.5598 -8.8574 -8.8341 -7.8320 -7.8003 -7.6701 -7.6617 -3.0200 -3.0177 -1.5964 -1.5212 0.2669 0.3092 0.4528 0.5110 1.0988 1.2805 2.0341 2.0455 2.2426 2.2570 2.2642 2.2679 2.6560 2.6590 4.2575 4.2606 4.4169 4.4183 4.4845 4.4872 4.4878 4.4954 4.7367 4.7419 4.8428 4.8457 5.1847 5.1927 5.2082 5.2190 5.4392 5.4393 10.4989 10.5001 12.1843 12.2033 12.9708 13.0588 13.1256 13.2622 13.8433 13.8952 14.3146 14.3384 k = 0.3254 0.5636-0.0000 ( 4368 PWs) bands (ev): -26.1039 -26.1039 -14.0214 -14.0192 -13.2007 -13.1607 -12.2174 -12.1621 -11.2208 -11.2194 -10.9255 -10.9247 -10.5603 -10.5596 -8.8574 -8.8341 -7.8319 -7.8002 -7.6701 -7.6616 -3.0236 -3.0211 -1.5928 -1.5178 0.2618 0.3093 0.4530 0.5154 1.0978 1.2793 2.0268 2.0387 2.2329 2.2472 2.2775 2.2867 2.6588 2.6622 4.2559 4.2592 4.4144 4.4159 4.4837 4.4855 4.4911 4.4979 4.7355 4.7408 4.8436 4.8469 5.1800 5.1885 5.2139 5.2240 5.4392 5.4394 10.4986 10.4998 12.1841 12.2029 12.9708 13.0594 13.1277 13.2627 13.8442 13.8960 14.3124 14.3382 k = 0.3175 0.5499-0.0000 ( 4372 PWs) bands (ev): -26.1039 -26.1039 -14.0255 -14.0234 -13.1954 -13.1557 -12.2165 -12.1614 -11.2237 -11.2220 -10.9240 -10.9228 -10.5598 -10.5590 -8.8572 -8.8341 -7.8315 -7.8001 -7.6700 -7.6616 -3.0344 -3.0316 -1.5819 -1.5076 0.2479 0.3078 0.4545 0.5277 1.0948 1.2758 2.0054 2.0191 2.2312 2.2440 2.2981 2.3060 2.6678 2.6724 4.2513 4.2550 4.4082 4.4102 4.4815 4.4844 4.4966 4.5032 4.7323 4.7380 4.8456 4.8498 5.1725 5.1813 5.2244 5.2337 5.4394 5.4397 10.4976 10.4988 12.1833 12.2016 12.9700 13.0604 13.1350 13.2648 13.8463 13.8984 14.3057 14.3372 k = 0.3095 0.5361-0.0000 ( 4372 PWs) bands (ev): -26.1039 -26.1039 -14.0324 -14.0305 -13.1865 -13.1472 -12.2149 -12.1603 -11.2287 -11.2266 -10.9213 -10.9197 -10.5589 -10.5581 -8.8569 -8.8340 -7.8308 -7.7999 -7.6700 -7.6614 -3.0526 -3.0492 -1.5639 -1.4907 0.2287 0.3016 0.4599 0.5452 1.0899 1.2699 1.9742 1.9904 2.2386 2.2501 2.3163 2.3229 2.6837 2.6900 4.2437 4.2478 4.4002 4.4029 4.4785 4.4826 4.5033 4.5095 4.7274 4.7338 4.8481 4.8535 5.1665 5.1753 5.2356 5.2441 5.4397 5.4402 10.4956 10.4970 12.1820 12.1996 12.9678 13.0613 13.1478 13.2698 13.8488 13.9023 14.2946 14.3346 k = 0.3016 0.5224-0.0000 ( 4372 PWs) bands (ev): -26.1039 -26.1039 -14.0421 -14.0405 -13.1738 -13.1350 -12.2128 -12.1586 -11.2359 -11.2332 -10.9173 -10.9151 -10.5577 -10.5569 -8.8564 -8.8338 -7.8298 -7.7995 -7.6700 -7.6612 -3.0777 -3.0737 -1.5392 -1.4673 0.2063 0.2898 0.4698 0.5657 1.0830 1.2616 1.9381 1.9567 2.2506 2.2613 2.3315 2.3375 2.7065 2.7147 4.2332 4.2375 4.3920 4.3956 4.4751 4.4800 4.5103 4.5159 4.7214 4.7286 4.8507 4.8572 5.1631 5.1718 5.2465 5.2543 5.4402 5.4410 10.4926 10.4941 12.1800 12.1966 12.9641 13.0618 13.1660 13.2788 13.8510 13.9075 14.2800 14.3293 k = 0.2937 0.5086-0.0000 ( 4384 PWs) bands (ev): -26.1039 -26.1039 -14.0547 -14.0533 -13.1574 -13.1192 -12.2100 -12.1565 -11.2450 -11.2418 -10.9120 -10.9093 -10.5563 -10.5555 -8.8558 -8.8334 -7.8285 -7.7990 -7.6700 -7.6610 -3.1095 -3.1048 -1.5084 -1.4382 0.1818 0.2734 0.4834 0.5879 1.0741 1.2510 1.9000 1.9210 2.2640 2.2745 2.3443 2.3504 2.7360 2.7460 4.2195 4.2242 4.3843 4.3888 4.4717 4.4772 4.5167 4.5218 4.7147 4.7227 4.8530 4.8606 5.1625 5.1709 5.2565 5.2637 5.4409 5.4422 10.4882 10.4899 12.1775 12.1928 12.9596 13.0618 13.1891 13.2923 13.8520 13.9137 14.2626 14.3205 k = 0.2857 0.4949-0.0000 ( 4386 PWs) bands (ev): -26.1039 -26.1039 -14.0698 -14.0687 -13.1373 -13.0999 -12.2067 -12.1538 -11.2560 -11.2523 -10.9054 -10.9022 -10.5548 -10.5540 -8.8551 -8.8330 -7.8270 -7.7983 -7.6699 -7.6606 -3.1472 -3.1418 -1.4724 -1.4040 0.1561 0.2537 0.4994 0.6108 1.0634 1.2380 1.8618 1.8846 2.2770 2.2880 2.3556 2.3622 2.7715 2.7830 4.2028 4.2077 4.3778 4.3832 4.4686 4.4747 4.5221 4.5266 4.7076 4.7163 4.8552 4.8636 5.1646 5.1727 5.2654 5.2720 5.4421 5.4438 10.4822 10.4842 12.1742 12.1882 12.9549 13.0615 13.2162 13.3105 13.8514 13.9204 14.2432 14.3078 k = 0.2778 0.4811-0.0000 ( 4388 PWs) bands (ev): -26.1040 -26.1040 -14.0874 -14.0866 -13.1139 -13.0771 -12.2027 -12.1505 -11.2688 -11.2647 -10.8977 -10.8940 -10.5533 -10.5524 -8.8541 -8.8324 -7.8250 -7.7974 -7.6698 -7.6601 -3.1903 -3.1843 -1.4318 -1.3654 0.1296 0.2319 0.5165 0.6337 1.0509 1.2229 1.8242 1.8486 2.2885 2.3007 2.3666 2.3736 2.8121 2.8249 4.1830 4.1881 4.3730 4.3792 4.4665 4.4729 4.5258 4.5296 4.7006 4.7099 4.8572 4.8663 5.1689 5.1769 5.2730 5.2791 5.4437 5.4459 10.4744 10.4766 12.1702 12.1829 12.9512 13.0614 13.2466 13.3329 13.8489 13.9273 14.2225 14.2911 k = 0.2698 0.4674-0.0000 ( 4392 PWs) bands (ev): -26.1040 -26.1040 -14.1070 -14.1065 -13.0873 -13.0513 -12.1982 -12.1468 -11.2831 -11.2786 -10.8889 -10.8848 -10.5519 -10.5509 -8.8530 -8.8316 -7.8228 -7.7963 -7.6697 -7.6596 -3.2381 -3.2315 -1.3876 -1.3232 0.1026 0.2087 0.5339 0.6563 1.0367 1.2055 1.7879 1.8133 2.2977 2.3118 2.3784 2.3854 2.8571 2.8708 4.1605 4.1659 4.3700 4.3769 4.4656 4.4723 4.5272 4.5303 4.6941 4.7039 4.8593 4.8689 5.1750 5.1828 5.2789 5.2848 5.4458 5.4484 10.4645 10.4669 12.1654 12.1768 12.9491 13.0620 13.2798 13.3591 13.8441 13.9338 14.2013 14.2707 k = 0.2619 0.4536-0.0000 ( 4392 PWs) bands (ev): -26.1040 -26.1040 -14.1285 -14.1283 -13.0578 -13.0225 -12.1930 -12.1425 -11.2988 -11.2939 -10.8793 -10.8748 -10.5506 -10.5496 -8.8516 -8.8305 -7.8203 -7.7949 -7.6695 -7.6590 -3.2900 -3.2828 -1.3405 -1.2782 0.0754 0.1848 0.5510 0.6781 1.0211 1.1860 1.7531 1.7790 2.3040 2.3207 2.3919 2.3985 2.9058 2.9201 4.1356 4.1415 4.3690 4.3766 4.4662 4.4732 4.5255 4.5276 4.6890 4.6991 4.8617 4.8716 5.1824 5.1901 5.2833 5.2890 5.4483 5.4513 10.4521 10.4548 12.1599 12.1702 12.9492 13.0641 13.3150 13.3882 13.8369 13.9393 14.1801 14.2472 k = 0.2540 0.4399-0.0000 ( 4384 PWs) bands (ev): -26.1041 -26.1040 -14.1516 -14.1515 -13.0257 -12.9911 -12.1873 -12.1377 -11.3156 -11.3104 -10.8690 -10.8642 -10.5495 -10.5484 -8.8501 -8.8292 -7.8174 -7.7934 -7.6692 -7.6582 -3.3453 -3.3378 -1.2912 -1.2311 0.0485 0.1606 0.5672 0.6987 1.0041 1.1647 1.7199 1.7459 2.3072 2.3266 2.4077 2.4136 2.9576 2.9724 4.1091 4.1154 4.3700 4.3782 4.4685 4.4757 4.5199 4.5210 4.6861 4.6963 4.8645 4.8747 5.1906 5.1982 5.2861 5.2917 5.4512 5.4546 10.4371 10.4399 12.1538 12.1632 12.9522 13.0683 13.3517 13.4196 13.8270 13.9436 14.1595 14.2212 k = 0.2460 0.4261-0.0000 ( 4396 PWs) bands (ev): -26.1041 -26.1041 -14.1761 -14.1759 -12.9912 -12.9573 -12.1811 -12.1324 -11.3334 -11.3278 -10.8582 -10.8531 -10.5488 -10.5475 -8.8484 -8.8277 -7.8143 -7.7916 -7.6689 -7.6574 -3.4035 -3.3958 -1.2404 -1.1824 0.0218 0.1365 0.5820 0.7178 0.9859 1.1417 1.6883 1.7141 2.3068 2.3289 2.4263 2.4316 3.0122 3.0272 4.0817 4.0885 4.3731 4.3817 4.4726 4.4801 4.5096 4.5099 4.6858 4.6961 4.8678 4.8783 5.1989 5.2065 5.2875 5.2932 5.4543 5.4580 10.4191 10.4221 12.1473 12.1560 12.9582 13.0749 13.3892 13.4524 13.8145 13.9461 14.1399 14.1937 k = 0.2381 0.4124-0.0000 ( 4400 PWs) bands (ev): -26.1041 -26.1041 -14.2016 -14.2012 -12.9547 -12.9214 -12.1743 -12.1266 -11.3519 -11.3461 -10.8470 -10.8416 -10.5484 -10.5470 -8.8464 -8.8259 -7.8108 -7.7895 -7.6684 -7.6564 -3.4642 -3.4563 -1.1887 -1.1329 -0.0042 0.1127 0.5952 0.7350 0.9668 1.1172 1.6584 1.6835 2.3025 2.3272 2.4481 2.4530 3.0691 3.0842 4.0541 4.0615 4.3782 4.3871 4.4781 4.4862 4.4941 4.4953 4.6883 4.6988 4.8715 4.8823 5.2067 5.2145 5.2878 5.2935 5.4576 5.4614 10.3977 10.4009 12.1404 12.1489 12.9676 13.0844 13.4270 13.4860 13.7994 13.9465 14.1215 14.1655 k = 0.2302 0.3986-0.0000 ( 4404 PWs) bands (ev): -26.1042 -26.1042 -14.2278 -14.2273 -12.9163 -12.8837 -12.1670 -12.1203 -11.3710 -11.3649 -10.8356 -10.8299 -10.5484 -10.5469 -8.8442 -8.8239 -7.8071 -7.7872 -7.6678 -7.6554 -3.5268 -3.5190 -1.1366 -1.0829 -0.0294 0.0896 0.6064 0.7501 0.9469 1.0915 1.6302 1.6543 2.2941 2.3210 2.4734 2.4781 3.1283 3.1432 4.0270 4.0349 4.3851 4.3944 4.4735 4.4744 4.4879 4.4944 4.6934 4.7040 4.8758 4.8868 5.2134 5.2214 5.2875 5.2933 5.4607 5.4646 10.3729 10.3762 12.1337 12.1420 12.9802 13.0968 13.4645 13.5196 13.7822 13.9442 14.1043 14.1378 k = 0.2222 0.3849-0.0000 ( 4417 PWs) bands (ev): -26.1042 -26.1042 -14.2545 -14.2540 -12.8763 -12.8443 -12.1593 -12.1136 -11.3906 -11.3842 -10.8240 -10.8182 -10.5489 -10.5473 -8.8418 -8.8215 -7.8030 -7.7846 -7.6671 -7.6543 -3.5911 -3.5833 -1.0846 -1.0329 -0.0536 0.0672 0.6154 0.7629 0.9265 1.0648 1.6034 1.6264 2.2815 2.3101 2.5025 2.5071 3.1893 3.2040 4.0011 4.0096 4.3939 4.4033 4.4501 4.4516 4.4966 4.5041 4.7007 4.7115 4.8804 4.8917 5.2182 5.2266 5.2873 5.2930 5.4636 5.4675 10.3444 10.3478 12.1273 12.1355 12.9962 13.1122 13.5008 13.5521 13.7636 13.9388 14.0881 14.1117 k = 0.2143 0.3712-0.0000 ( 4417 PWs) bands (ev): -26.1043 -26.1043 -14.2815 -14.2809 -12.8349 -12.8034 -12.1511 -12.1064 -11.4104 -11.4039 -10.8124 -10.8064 -10.5499 -10.5481 -8.8392 -8.8189 -7.7987 -7.7818 -7.6662 -7.6531 -3.6565 -3.6489 -1.0330 -0.9834 -0.0767 0.0458 0.6218 0.7732 0.9059 1.0374 1.5782 1.5998 2.2644 2.2945 2.5356 2.5401 3.2522 3.2665 3.9768 3.9859 4.4038 4.4124 4.4239 4.4267 4.5075 4.5154 4.7098 4.7208 4.8855 4.8971 5.2205 5.2290 5.2879 5.2935 5.4659 5.4698 10.3121 10.3155 12.1216 12.1298 13.0152 13.1305 13.5352 13.5821 13.7451 13.9298 14.0724 14.0889 k = 0.2063 0.3574-0.0000 ( 4421 PWs) bands (ev): -26.1043 -26.1043 -14.3086 -14.3080 -12.7923 -12.7614 -12.1425 -12.0988 -11.4304 -11.4236 -10.8009 -10.7948 -10.5514 -10.5496 -8.8363 -8.8160 -7.7942 -7.7787 -7.6652 -7.6517 -3.7229 -3.7155 -0.9821 -0.9346 -0.0985 0.0256 0.6256 0.7807 0.8852 1.0096 1.5543 1.5745 2.2430 2.2742 2.5726 2.5770 3.3166 3.3306 3.9548 3.9644 4.3925 4.3940 4.4176 4.4282 4.5200 4.5282 4.7202 4.7316 4.8908 4.9029 5.2195 5.2280 5.2899 5.2951 5.4676 5.4714 10.2758 10.2793 12.1168 12.1250 13.0370 13.1516 13.5666 13.6063 13.7298 13.9173 14.0565 14.0706 k = 0.1984 0.3437-0.0000 ( 4415 PWs) bands (ev): -26.1044 -26.1044 -14.3356 -14.3350 -12.7488 -12.7185 -12.1334 -12.0909 -11.4504 -11.4435 -10.7896 -10.7834 -10.5535 -10.5515 -8.8332 -8.8129 -7.7894 -7.7753 -7.6641 -7.6503 -3.7898 -3.7828 -0.9322 -0.8868 -0.1187 0.0067 0.6267 0.7852 0.8649 0.9817 1.5318 1.5506 2.2171 2.2492 2.6135 2.6177 3.3826 3.3960 3.9352 3.9453 4.3609 4.3627 4.4309 4.4418 4.5338 4.5423 4.7317 4.7435 4.8964 4.9090 5.2154 5.2238 5.2932 5.2980 5.4686 5.4721 10.2357 10.2391 12.1131 12.1213 13.0612 13.1751 13.5934 13.6191 13.7239 13.9021 14.0411 14.0561 k = 0.1905 0.3299-0.0000 ( 4415 PWs) bands (ev): -26.1045 -26.1044 -14.3625 -14.3618 -12.7046 -12.6747 -12.1240 -12.0826 -11.4703 -11.4632 -10.7786 -10.7723 -10.5561 -10.5541 -8.8299 -8.8095 -7.7844 -7.7717 -7.6628 -7.6489 -3.8569 -3.8503 -0.8836 -0.8403 -0.1374 -0.0106 0.6251 0.7863 0.8454 0.9539 1.5106 1.5280 2.1871 2.2198 2.6583 2.6623 3.4498 3.4626 3.9184 3.9289 4.3273 4.3290 4.4459 4.4572 4.5487 4.5575 4.7439 4.7563 4.9022 4.9155 5.2084 5.2167 5.2973 5.3018 5.4686 5.4720 10.1917 10.1951 12.1108 12.1188 13.0873 13.2007 13.6101 13.6195 13.7323 13.8863 14.0273 14.0438 k = 0.1825 0.3162-0.0000 ( 4413 PWs) bands (ev): -26.1045 -26.1045 -14.3889 -14.3883 -12.6597 -12.6305 -12.1143 -12.0740 -11.4901 -11.4828 -10.7680 -10.7616 -10.5593 -10.5572 -8.8264 -8.8059 -7.7793 -7.7679 -7.6614 -7.6473 -3.9241 -3.9179 -0.8364 -0.7952 -0.1544 -0.0265 0.6208 0.7833 0.8277 0.9264 1.4907 1.5067 2.1532 2.1862 2.7066 2.7104 3.5181 3.5303 3.9044 3.9152 4.2921 4.2938 4.4623 4.4739 4.5645 4.5736 4.7567 4.7698 4.9082 4.9222 5.1992 5.2073 5.3017 5.3059 5.4676 5.4709 10.1439 10.1473 12.1098 12.1176 13.1147 13.2279 13.5975 13.6295 13.7503 13.8728 14.0151 14.0328 k = 0.1746 0.3024-0.0000 ( 4409 PWs) bands (ev): -26.1046 -26.1046 -14.4149 -14.4143 -12.6145 -12.5858 -12.1043 -12.0651 -11.5095 -11.5021 -10.7578 -10.7513 -10.5630 -10.5609 -8.8227 -8.8022 -7.7740 -7.7639 -7.6598 -7.6457 -3.9910 -3.9852 -0.7908 -0.7517 -0.1695 -0.0406 0.6139 0.7751 0.8129 0.8995 1.4719 1.4867 2.1156 2.1487 2.7583 2.7619 3.5871 3.5987 3.8933 3.9042 4.2560 4.2575 4.4799 4.4920 4.5809 4.5903 4.7699 4.7837 4.9144 4.9291 5.1881 5.1961 5.3059 5.3100 5.4655 5.4687 10.0927 10.0960 12.1101 12.1177 13.1425 13.2563 13.5772 13.6327 13.7714 13.8641 14.0040 14.0228 k = 0.1667 0.2887-0.0000 ( 4415 PWs) bands (ev): -26.1046 -26.1046 -14.4404 -14.4398 -12.5692 -12.5410 -12.0940 -12.0560 -11.5287 -11.5211 -10.7481 -10.7416 -10.5672 -10.5651 -8.8188 -8.7982 -7.7686 -7.7598 -7.6581 -7.6440 -4.0573 -4.0520 -0.7469 -0.7099 -0.1827 -0.0530 0.6046 0.7616 0.8013 0.8733 1.4544 1.4681 2.0748 2.1077 2.8130 2.8165 3.6564 3.6673 3.8851 3.8961 4.2193 4.2207 4.4986 4.5111 4.5977 4.6074 4.7833 4.7980 4.9206 4.9363 5.1756 5.1835 5.3097 5.3136 5.4624 5.4654 10.0382 10.0414 12.1119 12.1191 13.1697 13.2850 13.5559 13.6263 13.7921 13.8616 13.9936 14.0136 k = 0.1587 0.2749-0.0000 ( 4403 PWs) bands (ev): -26.1047 -26.1047 -14.4651 -14.4646 -12.5238 -12.4962 -12.0835 -12.0467 -11.5474 -11.5397 -10.7390 -10.7324 -10.5719 -10.5697 -8.8147 -8.7942 -7.7631 -7.7554 -7.6562 -7.6423 -4.1228 -4.1180 -0.7048 -0.6700 -0.1940 -0.0635 0.5933 0.7446 0.7914 0.8481 1.4381 1.4508 2.0313 2.0638 2.8705 2.8739 3.7253 3.7352 3.8799 3.8907 4.1828 4.1840 4.5182 4.5311 4.6147 4.6247 4.7967 4.8123 4.9270 4.9438 5.1621 5.1698 5.3127 5.3167 5.4581 5.4610 9.9809 9.9839 12.1149 12.1217 13.1949 13.3131 13.5364 13.6118 13.8106 13.8643 13.9837 14.0051 k = 0.1508 0.2612-0.0000 ( 4411 PWs) bands (ev): -26.1048 -26.1048 -14.4892 -14.4887 -12.4787 -12.4517 -12.0729 -12.0373 -11.5655 -11.5577 -10.7305 -10.7239 -10.5770 -10.5749 -8.8105 -8.7901 -7.7576 -7.7510 -7.6542 -7.6405 -4.1872 -4.1828 -0.6645 -0.6320 -0.2032 -0.0722 0.5803 0.7257 0.7813 0.8240 1.4230 1.4348 1.9855 2.0173 2.9303 2.9338 3.7917 3.7999 3.8791 3.8890 4.1477 4.1487 4.5385 4.5520 4.6315 4.6418 4.8101 4.8266 4.9334 4.9514 5.1477 5.1553 5.3150 5.3190 5.4526 5.4555 9.9210 9.9238 12.1191 12.1255 13.2163 13.3391 13.5207 13.5927 13.8260 13.8703 13.9742 13.9973 k = 0.1429 0.2474-0.0000 ( 4407 PWs) bands (ev): -26.1048 -26.1048 -14.5123 -14.5119 -12.4340 -12.4077 -12.0621 -12.0278 -11.5831 -11.5752 -10.7226 -10.7160 -10.5824 -10.5803 -8.8062 -8.7860 -7.7521 -7.7464 -7.6521 -7.6387 -4.2503 -4.2464 -0.6263 -0.5960 -0.2104 -0.0790 0.5659 0.7061 0.7705 0.8009 1.4091 1.4202 1.9380 1.9689 2.9921 2.9958 3.8479 3.8491 3.8909 3.8969 4.1163 4.1176 4.5595 4.5735 4.6478 4.6584 4.8233 4.8406 4.9400 4.9593 5.1329 5.1403 5.3163 5.3204 5.4461 5.4489 9.8590 9.8616 12.1243 12.1302 13.2319 13.3611 13.5112 13.5728 13.8381 13.8775 13.9651 13.9903 k = 0.1349 0.2337-0.0000 ( 4405 PWs) bands (ev): -26.1049 -26.1049 -14.5346 -14.5342 -12.3899 -12.3643 -12.0513 -12.0182 -11.6001 -11.5920 -10.7155 -10.7089 -10.5882 -10.5861 -8.8017 -8.7818 -7.7466 -7.7419 -7.6499 -7.6368 -4.3117 -4.3083 -0.5899 -0.5620 -0.2156 -0.0840 0.5506 0.6861 0.7587 0.7790 1.3964 1.4068 1.8893 1.9191 3.0555 3.0595 3.8632 3.8717 3.9242 3.9320 4.0960 4.0981 4.5809 4.5955 4.6632 4.6740 4.8362 4.8541 4.9467 4.9674 5.1181 5.1252 5.3167 5.3209 5.4383 5.4413 9.7953 9.7978 12.1304 12.1357 13.2398 13.3758 13.5096 13.5562 13.8469 13.8845 13.9566 13.9839 k = 0.1270 0.2199-0.0000 ( 4411 PWs) bands (ev): -26.1050 -26.1050 -14.5559 -14.5556 -12.3466 -12.3219 -12.0403 -12.0087 -11.6164 -11.6082 -10.7091 -10.7025 -10.5941 -10.5921 -8.7973 -8.7777 -7.7412 -7.7373 -7.6477 -7.6350 -4.3714 -4.3684 -0.5556 -0.5301 -0.2186 -0.0872 0.5345 0.6660 0.7457 0.7583 1.3848 1.3946 1.8399 1.8684 3.1201 3.1245 3.8675 3.8771 3.9462 3.9522 4.1040 4.1082 4.6025 4.6177 4.6772 4.6883 4.8488 4.8671 4.9534 4.9755 5.1037 5.1102 5.3161 5.3205 5.4295 5.4325 9.7305 9.7328 12.1371 12.1419 13.2395 13.3797 13.5159 13.5476 13.8528 13.8900 13.9489 13.9781 k = 0.1190 0.2062-0.0000 ( 4413 PWs) bands (ev): -26.1050 -26.1050 -14.5761 -14.5759 -12.3044 -12.2805 -12.0294 -11.9992 -11.6319 -11.6237 -10.7034 -10.6969 -10.6002 -10.5983 -8.7928 -8.7737 -7.7360 -7.7327 -7.6453 -7.6331 -4.4289 -4.4264 -0.5233 -0.5002 -0.2197 -0.0886 0.5182 0.6460 0.7316 0.7388 1.3744 1.3837 1.7904 1.8173 3.1856 3.1904 3.8709 3.8803 3.9369 3.9404 4.1468 4.1527 4.6241 4.6400 4.6893 4.7006 4.8613 4.8794 4.9603 4.9837 5.0902 5.0960 5.3145 5.3191 5.4196 5.4227 9.6651 9.6671 12.1443 12.1487 13.2322 13.3717 13.5277 13.5494 13.8563 13.8935 13.9423 13.9725 k = 0.1111 0.1925-0.0000 ( 4417 PWs) bands (ev): -26.1051 -26.1051 -14.5953 -14.5951 -12.2635 -12.2406 -12.0185 -11.9899 -11.6466 -11.6383 -10.6986 -10.6922 -10.6063 -10.6044 -8.7883 -8.7698 -7.7308 -7.7282 -7.6429 -7.6313 -4.4842 -4.4820 -0.4930 -0.4725 -0.2188 -0.0884 0.5018 0.6263 0.7159 0.7212 1.3652 1.3739 1.7412 1.7664 3.2516 3.2567 3.8738 3.8822 3.9130 3.9147 4.2065 4.2129 4.6453 4.6622 4.6991 4.7103 4.8735 4.8909 4.9672 4.9918 5.0785 5.0831 5.3118 5.3167 5.4086 5.4120 9.5995 9.6014 12.1519 12.1557 13.2197 13.3541 13.5425 13.5597 13.8583 13.8947 13.9368 13.9669 k = 0.1032 0.1787-0.0000 ( 4413 PWs) bands (ev): -26.1051 -26.1051 -14.6133 -14.6132 -12.2242 -12.2023 -12.0076 -11.9807 -11.6604 -11.6522 -10.6946 -10.6883 -10.6123 -10.6104 -8.7838 -8.7661 -7.7259 -7.7238 -7.6405 -7.6295 -4.5368 -4.5351 -0.4648 -0.4468 -0.2160 -0.0867 0.4857 0.6071 0.6989 0.7051 1.3570 1.3652 1.6929 1.7163 3.3176 3.3231 3.8691 3.8729 3.8914 3.8969 4.2713 4.2779 4.6656 4.6839 4.7060 4.7168 4.8858 4.9016 4.9741 4.9994 5.0691 5.0723 5.3082 5.3134 5.3966 5.4003 9.5345 9.5362 12.1595 12.1629 13.2041 13.3310 13.5585 13.5741 13.8593 13.8940 13.9323 13.9613 k = 0.0952 0.1650-0.0000 ( 4417 PWs) bands (ev): -26.1052 -26.1052 -14.6302 -14.6301 -12.1866 -12.1660 -11.9968 -11.9717 -11.6734 -11.6652 -10.6913 -10.6853 -10.6180 -10.6163 -8.7794 -8.7625 -7.7212 -7.7196 -7.6380 -7.6278 -4.5867 -4.5852 -0.4386 -0.4232 -0.2114 -0.0837 0.4701 0.5886 0.6819 0.6895 1.3499 1.3575 1.6460 1.6673 3.3832 3.3890 3.8429 3.8453 3.8900 3.8978 4.3371 4.3438 4.6832 4.7034 4.7114 4.7205 4.8983 4.9117 4.9810 5.0064 5.0625 5.0642 5.3036 5.3091 5.3838 5.3877 9.4705 9.4721 12.1672 12.1701 13.1871 13.3052 13.5745 13.5892 13.8598 13.8919 13.9282 13.9553 k = 0.0873 0.1512-0.0000 ( 4417 PWs) bands (ev): -26.1053 -26.1053 -14.6458 -14.6457 -12.1511 -12.1319 -11.9861 -11.9629 -11.6854 -11.6774 -10.6890 -10.6831 -10.6235 -10.6218 -8.7752 -8.7592 -7.7168 -7.7155 -7.6356 -7.6261 -4.6335 -4.6324 -0.4144 -0.4017 -0.2051 -0.0798 0.4553 0.5707 0.6655 0.6740 1.3437 1.3507 1.6010 1.6202 3.4480 3.4540 3.8124 3.8145 3.8945 3.9020 4.4021 4.4088 4.6926 4.7094 4.7225 4.7294 4.9110 4.9215 4.9880 5.0123 5.0586 5.0600 5.2981 5.3039 5.3701 5.3743 9.4083 9.4097 12.1747 12.1772 13.1698 13.2787 13.5897 13.6032 13.8602 13.8891 13.9243 13.9489 k = 0.0794 0.1375-0.0000 ( 4417 PWs) bands (ev): -26.1053 -26.1053 -14.6602 -14.6601 -12.1179 -12.1003 -11.9753 -11.9544 -11.6964 -11.6886 -10.6874 -10.6819 -10.6284 -10.6268 -8.7711 -8.7562 -7.7127 -7.7117 -7.6332 -7.6245 -4.6771 -4.6762 -0.3924 -0.3822 -0.1971 -0.0751 0.4416 0.5537 0.6499 0.6585 1.3384 1.3448 1.5584 1.5753 3.5113 3.5175 3.7828 3.7847 3.8998 3.9068 4.4651 4.4718 4.6900 4.7037 4.7366 4.7476 4.9241 4.9313 4.9953 5.0172 5.0570 5.0597 5.2917 5.2979 5.3556 5.3602 9.3484 9.3496 12.1820 12.1841 13.1530 13.2524 13.6033 13.6155 13.8607 13.8860 13.9202 13.9422 k = 0.0714 0.1237-0.0000 ( 4417 PWs) bands (ev): -26.1054 -26.1054 -14.6734 -14.6733 -12.0873 -12.0717 -11.9644 -11.9461 -11.7064 -11.6989 -10.6866 -10.6815 -10.6327 -10.6313 -8.7671 -8.7534 -7.7089 -7.7082 -7.6309 -7.6230 -4.7173 -4.7166 -0.3725 -0.3646 -0.1878 -0.0701 0.4293 0.5375 0.6351 0.6433 1.3339 1.3396 1.5186 1.5332 3.5723 3.5784 3.7555 3.7572 3.9054 3.9117 4.5250 4.5317 4.6801 4.6919 4.7532 4.7656 4.9374 4.9413 5.0031 5.0216 5.0580 5.0621 5.2846 5.2912 5.3406 5.3455 9.2914 9.2926 12.1888 12.1906 13.1373 13.2271 13.6151 13.6257 13.8614 13.8829 13.9161 13.9353 k = 0.0635 0.1100-0.0000 ( 4413 PWs) bands (ev): -26.1054 -26.1054 -14.6852 -14.6851 -12.0597 -12.0464 -11.9535 -11.9380 -11.7153 -11.7082 -10.6865 -10.6819 -10.6364 -10.6352 -8.7634 -8.7509 -7.7054 -7.7049 -7.6287 -7.6216 -4.7538 -4.7532 -0.3548 -0.3490 -0.1771 -0.0652 0.4186 0.5220 0.6213 0.6285 1.3299 1.3348 1.4821 1.4945 3.6288 3.6345 3.7328 3.7344 3.9109 3.9166 4.5804 4.5873 4.6666 4.6763 4.7697 4.7823 4.9506 4.9517 5.0114 5.0263 5.0607 5.0659 5.2768 5.2838 5.3252 5.3305 9.2382 9.2392 12.1951 12.1967 13.1230 13.2031 13.6249 13.6340 13.8623 13.8798 13.9119 13.9283 k = 0.0556 0.0962-0.0000 ( 4423 PWs) bands (ev): -26.1054 -26.1054 -14.6956 -14.6956 -12.0355 -12.0246 -11.9424 -11.9301 -11.7232 -11.7166 -10.6870 -10.6830 -10.6394 -10.6385 -8.7600 -8.7488 -7.7023 -7.7020 -7.6266 -7.6204 -4.7864 -4.7861 -0.3392 -0.3352 -0.1654 -0.0608 0.4099 0.5072 0.6085 0.6144 1.3264 1.3304 1.4495 1.4595 3.6691 3.6721 3.7261 3.7293 3.9161 3.9211 4.6217 4.6319 4.6585 4.6651 4.7851 4.7973 4.9625 4.9637 5.0202 5.0320 5.0641 5.0703 5.2686 5.2759 5.3096 5.3151 9.1892 9.1900 12.2009 12.2022 13.1105 13.1808 13.6329 13.6406 13.8631 13.8766 13.9081 13.9215 k = 0.0476 0.0825-0.0000 ( 4427 PWs) bands (ev): -26.1055 -26.1055 -14.7047 -14.7047 -12.0148 -12.0066 -11.9313 -11.9224 -11.7299 -11.7240 -10.6879 -10.6846 -10.6419 -10.6412 -8.7568 -8.7471 -7.6996 -7.6994 -7.6247 -7.6193 -4.8151 -4.8148 -0.3259 -0.3232 -0.1528 -0.0575 0.4035 0.4931 0.5969 0.6014 1.3230 1.3259 1.4213 1.4290 3.6687 3.6691 3.7590 3.7643 3.9209 3.9252 4.6170 4.6276 4.6889 4.6957 4.7994 4.8105 4.9739 4.9762 5.0294 5.0389 5.0676 5.0745 5.2601 5.2674 5.2943 5.2999 9.1451 9.1459 12.2060 12.2070 13.1000 13.1604 13.6392 13.6458 13.8638 13.8735 13.9046 13.9151 k = 0.0397 0.0687-0.0000 ( 4435 PWs) bands (ev): -26.1055 -26.1055 -14.7125 -14.7125 -11.9980 -11.9920 -11.9205 -11.9148 -11.7355 -11.7303 -10.6890 -10.6863 -10.6437 -10.6433 -8.7539 -8.7457 -7.6973 -7.6972 -7.6229 -7.6184 -4.8396 -4.8395 -0.3147 -0.3130 -0.1397 -0.0557 0.3997 0.4795 0.5867 0.5897 1.3194 1.3212 1.3981 1.4034 3.6541 3.6546 3.8042 3.8095 3.9253 3.9289 4.5974 4.6061 4.7289 4.7349 4.8125 4.8220 4.9855 4.9882 5.0386 5.0467 5.0705 5.0777 5.2517 5.2585 5.2798 5.2851 9.1067 9.1073 12.2104 12.2113 13.0916 13.1421 13.6442 13.6497 13.8642 13.8705 13.9016 13.9094 k = 0.0317 0.0550-0.0000 ( 4443 PWs) bands (ev): -26.1055 -26.1055 -14.7188 -14.7188 -11.9850 -11.9808 -11.9107 -11.9075 -11.7400 -11.7357 -10.6903 -10.6881 -10.6452 -10.6449 -8.7514 -8.7447 -7.6954 -7.6954 -7.6214 -7.6178 -4.8599 -4.8598 -0.3057 -0.3047 -0.1263 -0.0558 0.3985 0.4662 0.5779 0.5797 1.3153 1.3159 1.3802 1.3834 3.6400 3.6404 3.8468 3.8515 3.9290 3.9319 4.5767 4.5837 4.7632 4.7682 4.8249 4.8321 4.9973 4.9995 5.0475 5.0549 5.0724 5.0795 5.2435 5.2492 5.2672 5.2715 9.0743 9.0748 12.2141 12.2147 13.0855 13.1260 13.6481 13.6526 13.8642 13.8677 13.8993 13.9047 k = 0.0238 0.0412-0.0000 ( 4459 PWs) bands (ev): -26.1056 -26.1056 -14.7238 -14.7238 -11.9755 -11.9725 -11.9025 -11.9011 -11.7433 -11.7400 -10.6913 -10.6898 -10.6462 -10.6461 -8.7492 -8.7442 -7.6939 -7.6939 -7.6201 -7.6173 -4.8758 -4.8757 -0.2988 -0.2981 -0.1130 -0.0581 0.4000 0.4535 0.5708 0.5716 1.3103 1.3106 1.3676 1.3691 3.6284 3.6288 3.8833 3.8872 3.9321 3.9342 4.5576 4.5631 4.7896 4.7928 4.8371 4.8413 5.0087 5.0100 5.0557 5.0622 5.0735 5.0796 5.2358 5.2397 5.2573 5.2599 9.0486 9.0489 12.2170 12.2175 13.0818 13.1122 13.6512 13.6546 13.8638 13.8654 13.8975 13.9010 k = 0.0159 0.0275-0.0000 ( 4467 PWs) bands (ev): -26.1056 -26.1056 -14.7274 -14.7273 -11.9690 -11.9670 -11.8963 -11.8958 -11.7455 -11.7432 -10.6921 -10.6911 -10.6470 -10.6469 -8.7474 -8.7440 -7.6929 -7.6929 -7.6190 -7.6171 -4.8872 -4.8871 -0.2939 -0.2934 -0.1003 -0.0626 0.4042 0.4412 0.5656 0.5658 1.3052 1.3058 1.3597 1.3602 3.6199 3.6202 3.9115 3.9142 3.9345 3.9359 4.5424 4.5461 4.8069 4.8084 4.8484 4.8500 5.0190 5.0194 5.0624 5.0673 5.0743 5.0782 5.2290 5.2312 5.2502 5.2511 9.0299 9.0301 12.2191 12.2194 13.0806 13.1009 13.6534 13.6558 13.8632 13.8637 13.8963 13.8984 k = 0.0079 0.0137-0.0000 ( 4467 PWs) bands (ev): -26.1056 -26.1056 -14.7295 -14.7295 -11.9651 -11.9640 -11.8925 -11.8924 -11.7466 -11.7454 -10.6926 -10.6921 -10.6474 -10.6474 -8.7459 -8.7442 -7.6923 -7.6923 -7.6181 -7.6172 -4.8940 -4.8940 -0.2909 -0.2907 -0.0885 -0.0693 0.4109 0.4298 0.5623 0.5624 1.3017 1.3021 1.3555 1.3555 3.6148 3.6149 3.9296 3.9307 3.9363 3.9370 4.5327 4.5346 4.8159 4.8165 4.8566 4.8568 5.0265 5.0267 5.0663 5.0688 5.0758 5.0766 5.2242 5.2253 5.2458 5.2460 9.0186 9.0187 12.2204 12.2206 13.0819 13.0921 13.6550 13.6562 13.8626 13.8626 13.8958 13.8968 k = 0.0000 0.0000 0.0000 ( 4463 PWs) bands (ev): -26.1056 -26.1056 -14.7302 -14.7302 -11.9634 -11.9634 -11.8912 -11.8912 -11.7465 -11.7465 -10.6926 -10.6926 -10.6476 -10.6476 -8.7449 -8.7449 -7.6920 -7.6920 -7.6175 -7.6175 -4.8963 -4.8963 -0.2898 -0.2898 -0.0780 -0.0780 0.4195 0.4195 0.5612 0.5612 1.3006 1.3006 1.3541 1.3541 3.6131 3.6131 3.9351 3.9351 3.9382 3.9382 4.5299 4.5299 4.8188 4.8188 4.8595 4.8595 5.0295 5.0295 5.0679 5.0679 5.0765 5.0765 5.2228 5.2228 5.2443 5.2443 9.0148 9.0148 12.2209 12.2209 13.0857 13.0857 13.6559 13.6559 13.8623 13.8623 13.8959 13.8959 k = 0.0000 0.0000 0.0000 ( 4463 PWs) bands (ev): -26.1056 -26.1056 -14.7302 -14.7302 -11.9634 -11.9634 -11.8912 -11.8912 -11.7465 -11.7465 -10.6926 -10.6926 -10.6476 -10.6476 -8.7449 -8.7449 -7.6920 -7.6920 -7.6175 -7.6175 -4.8963 -4.8963 -0.2898 -0.2898 -0.0780 -0.0780 0.4195 0.4195 0.5612 0.5612 1.3006 1.3006 1.3541 1.3541 3.6131 3.6131 3.9351 3.9351 3.9382 3.9382 4.5299 4.5299 4.8188 4.8188 4.8595 4.8595 5.0295 5.0295 5.0679 5.0679 5.0765 5.0765 5.2228 5.2228 5.2443 5.2443 9.0148 9.0148 12.2209 12.2209 13.0857 13.0857 13.6559 13.6559 13.8623 13.8623 13.8959 13.8959 k = 0.0000 0.0000 0.0156 ( 4469 PWs) bands (ev): -26.1056 -26.1056 -14.7303 -14.7303 -11.9641 -11.9628 -11.8916 -11.8909 -11.7465 -11.7461 -10.6934 -10.6911 -10.6481 -10.6466 -8.7462 -8.7444 -7.6930 -7.6918 -7.6181 -7.6179 -4.8962 -4.8961 -0.2887 -0.2886 -0.0782 -0.0781 0.4200 0.4201 0.5614 0.5624 1.2987 1.3024 1.3519 1.3561 3.6138 3.6138 3.9330 3.9360 3.9382 3.9412 4.5292 4.5293 4.8164 4.8203 4.8574 4.8609 5.0270 5.0272 5.0657 5.0701 5.0746 5.0783 5.2216 5.2231 5.2426 5.2449 9.0171 9.0171 12.2219 12.2222 13.0844 13.0847 13.6551 13.6551 13.8536 13.8690 13.8839 13.9053 k = 0.0000 0.0000 0.0312 ( 4481 PWs) bands (ev): -26.1056 -26.1056 -14.7305 -14.7305 -11.9650 -11.9624 -11.8921 -11.8908 -11.7458 -11.7450 -10.6937 -10.6890 -10.6481 -10.6453 -8.7484 -8.7449 -7.6945 -7.6921 -7.6197 -7.6193 -4.8957 -4.8957 -0.2850 -0.2849 -0.0787 -0.0784 0.4214 0.4217 0.5628 0.5650 1.2966 1.3040 1.3495 1.3579 3.6159 3.6159 3.9318 3.9348 3.9421 3.9452 4.5272 4.5273 4.8132 4.8208 4.8545 4.8613 5.0198 5.0201 5.0631 5.0721 5.0724 5.0800 5.2195 5.2223 5.2399 5.2445 9.0238 9.0238 12.2253 12.2258 13.0807 13.0814 13.6524 13.6526 13.8429 13.8696 13.8735 13.9118 k = 0.0000 0.0000 0.0469 ( 4469 PWs) bands (ev): -26.1056 -26.1056 -14.7309 -14.7309 -11.9660 -11.9621 -11.8928 -11.8908 -11.7446 -11.7434 -10.6934 -10.6863 -10.6478 -10.6435 -8.7514 -8.7462 -7.6966 -7.6931 -7.6222 -7.6217 -4.8950 -4.8949 -0.2790 -0.2787 -0.0795 -0.0791 0.4238 0.4243 0.5656 0.5689 1.2945 1.3056 1.3469 1.3594 3.6193 3.6194 3.9316 3.9345 3.9470 3.9500 4.5239 4.5241 4.8092 4.8204 4.8509 4.8610 5.0082 5.0083 5.0601 5.0698 5.0740 5.0816 5.2169 5.2207 5.2366 5.2429 9.0349 9.0349 12.2310 12.2317 13.0747 13.0758 13.6482 13.6483 13.8306 13.8532 13.8757 13.9152 k = 0.0000 0.0000 0.0625 ( 4445 PWs) bands (ev): -26.1056 -26.1056 -14.7314 -14.7314 -11.9671 -11.9620 -11.8935 -11.8909 -11.7429 -11.7413 -10.6924 -10.6831 -10.6470 -10.6413 -8.7552 -8.7483 -7.6994 -7.6947 -7.6257 -7.6250 -4.8940 -4.8939 -0.2707 -0.2703 -0.0806 -0.0799 0.4272 0.4279 0.5697 0.5741 1.2924 1.3070 1.3441 1.3608 3.6241 3.6242 3.9322 3.9350 3.9528 3.9558 4.5193 4.5195 4.8044 4.8189 4.8467 4.8597 4.9919 4.9920 5.0564 5.0666 5.0756 5.0828 5.2140 5.2183 5.2329 5.2405 9.0502 9.0502 12.2389 12.2399 13.0667 13.0680 13.6422 13.6424 13.8168 13.8351 13.8756 13.9152 k = 0.0000 0.0000 0.0781 ( 4427 PWs) bands (ev): -26.1055 -26.1055 -14.7321 -14.7321 -11.9683 -11.9621 -11.8944 -11.8911 -11.7406 -11.7386 -10.6908 -10.6794 -10.6457 -10.6388 -8.7598 -8.7514 -7.7027 -7.6970 -7.6300 -7.6292 -4.8927 -4.8926 -0.2600 -0.2595 -0.0819 -0.0811 0.4315 0.4324 0.5749 0.5805 1.2902 1.3084 1.3412 1.3619 3.6303 3.6304 3.9337 3.9364 3.9594 3.9624 4.5134 4.5136 4.7990 4.8163 4.8418 4.8576 4.9713 4.9717 5.0518 5.0622 5.0766 5.0834 5.2112 5.2155 5.2293 5.2376 9.0694 9.0695 12.2490 12.2502 13.0567 13.0582 13.6345 13.6349 13.8016 13.8154 13.8729 13.9118 k = 0.0000 0.0000 0.0937 ( 4427 PWs) bands (ev): -26.1055 -26.1055 -14.7329 -14.7329 -11.9696 -11.9623 -11.8953 -11.8915 -11.7378 -11.7355 -10.6887 -10.6752 -10.6441 -10.6359 -8.7652 -8.7552 -7.7065 -7.6998 -7.6352 -7.6342 -4.8911 -4.8911 -0.2472 -0.2465 -0.0835 -0.0824 0.4366 0.4378 0.5813 0.5881 1.2881 1.3097 1.3383 1.3629 3.6377 3.6379 3.9360 3.9386 3.9669 3.9697 4.5061 4.5064 4.7929 4.8124 4.8363 4.8545 4.9467 4.9475 5.0460 5.0564 5.0765 5.0829 5.2089 5.2126 5.2262 5.2344 9.0924 9.0925 12.2611 12.2626 13.0448 13.0465 13.6253 13.6257 13.7853 13.7944 13.8678 13.9049 k = 0.0000 0.0000 0.1094 ( 4427 PWs) bands (ev): -26.1055 -26.1055 -14.7339 -14.7339 -11.9710 -11.9627 -11.8963 -11.8919 -11.7345 -11.7319 -10.6859 -10.6706 -10.6421 -10.6328 -8.7712 -8.7598 -7.7108 -7.7031 -7.6412 -7.6401 -4.8893 -4.8893 -0.2324 -0.2315 -0.0853 -0.0840 0.4425 0.4441 0.5887 0.5967 1.2860 1.3109 1.3353 1.3638 3.6465 3.6466 3.9391 3.9416 3.9751 3.9779 4.4974 4.4977 4.7861 4.8073 4.8303 4.8505 4.9187 4.9199 5.0386 5.0487 5.0750 5.0811 5.2075 5.2102 5.2240 5.2315 9.1188 9.1189 12.2751 12.2769 13.0314 13.0332 13.6146 13.6150 13.7679 13.7723 13.8602 13.8944 k = 0.0000 0.0000 0.1250 ( 4415 PWs) bands (ev): -26.1055 -26.1055 -14.7349 -14.7349 -11.9724 -11.9633 -11.8974 -11.8925 -11.7307 -11.7279 -10.6827 -10.6656 -10.6397 -10.6294 -8.7778 -8.7651 -7.7155 -7.7070 -7.6480 -7.6466 -4.8874 -4.8873 -0.2158 -0.2146 -0.0873 -0.0856 0.4491 0.4511 0.5970 0.6063 1.2842 1.3121 1.3325 1.3646 3.6566 3.6567 3.9429 3.9453 3.9840 3.9867 4.4874 4.4877 4.7785 4.8005 4.8238 4.8455 4.8877 4.8896 5.0297 5.0392 5.0716 5.0776 5.2074 5.2087 5.2232 5.2293 9.1482 9.1483 12.2909 12.2930 13.0166 13.0184 13.6024 13.6029 13.7495 13.7497 13.8502 13.8807 k = 0.0000 0.0000 0.1406 ( 4408 PWs) bands (ev): -26.1055 -26.1055 -14.7361 -14.7361 -11.9739 -11.9640 -11.8985 -11.8933 -11.7265 -11.7236 -10.6789 -10.6602 -10.6369 -10.6257 -8.7850 -8.7711 -7.7206 -7.7114 -7.6553 -7.6538 -4.8852 -4.8851 -0.1976 -0.1959 -0.0894 -0.0872 0.4563 0.4588 0.6061 0.6167 1.2825 1.3134 1.3298 1.3654 3.6678 3.6680 3.9475 3.9497 3.9935 3.9961 4.4759 4.4762 4.7700 4.7914 4.8168 4.8394 4.8545 4.8577 5.0192 5.0278 5.0661 5.0720 5.2085 5.2086 5.2238 5.2283 9.1803 9.1805 12.3084 12.3108 13.0007 13.0024 13.5888 13.5893 13.7260 13.7309 13.8379 13.8639 k = 0.0000 0.0000 0.1562 ( 4402 PWs) bands (ev): -26.1054 -26.1054 -14.7373 -14.7373 -11.9753 -11.9649 -11.8997 -11.8941 -11.7220 -11.7189 -10.6746 -10.6546 -10.6338 -10.6218 -8.7927 -8.7777 -7.7261 -7.7161 -7.6632 -7.6616 -4.8828 -4.8827 -0.1783 -0.1759 -0.0915 -0.0885 0.4640 0.4670 0.6159 0.6278 1.2811 1.3147 1.3273 1.3662 3.6803 3.6805 3.9526 3.9548 4.0037 4.0062 4.4629 4.4632 4.7597 4.7780 4.8092 4.8203 4.8265 4.8321 5.0073 5.0147 5.0585 5.0642 5.2098 5.2111 5.2259 5.2287 9.2147 9.2148 12.3272 12.3299 12.9840 12.9855 13.5740 13.5745 13.7022 13.7116 13.8235 13.8443 k = 0.0000 0.0000 0.1719 ( 4402 PWs) bands (ev): -26.1054 -26.1054 -14.7387 -14.7387 -11.9768 -11.9659 -11.9009 -11.8950 -11.7171 -11.7139 -10.6699 -10.6488 -10.6305 -10.6178 -8.8007 -8.7849 -7.7318 -7.7213 -7.6716 -7.6699 -4.8803 -4.8802 -0.1585 -0.1549 -0.0931 -0.0889 0.4722 0.4757 0.6263 0.6395 1.2800 1.3161 1.3252 1.3671 3.6939 3.6941 3.9584 3.9604 4.0143 4.0167 4.4484 4.4487 4.7454 4.7564 4.7879 4.8005 4.8011 4.8234 4.9944 5.0005 5.0487 5.0542 5.2126 5.2149 5.2293 5.2306 9.2510 9.2511 12.3472 12.3503 12.9666 12.9679 13.5580 13.5585 13.6782 13.6920 13.8072 13.8224 k = 0.0000 0.0000 0.1875 ( 4402 PWs) bands (ev): -26.1054 -26.1054 -14.7401 -14.7400 -11.9783 -11.9670 -11.9021 -11.8960 -11.7119 -11.7087 -10.6648 -10.6428 -10.6269 -10.6137 -8.8091 -8.7925 -7.7377 -7.7268 -7.6804 -7.6786 -4.8778 -4.8777 -0.1399 -0.1345 -0.0931 -0.0871 0.4807 0.4848 0.6370 0.6515 1.2794 1.3176 1.3235 1.3682 3.7086 3.7088 3.9648 3.9666 4.0253 4.0276 4.4322 4.4325 4.7214 4.7250 4.7637 4.7815 4.7924 4.8130 4.9809 4.9856 5.0373 5.0425 5.2167 5.2198 5.2335 5.2342 9.2887 9.2888 12.3681 12.3716 12.9490 12.9499 13.5410 13.5414 13.6542 13.6723 13.7893 13.7985 k = 0.0000 0.0000 0.2031 ( 4396 PWs) bands (ev): -26.1054 -26.1054 -14.7415 -14.7415 -11.9797 -11.9682 -11.9033 -11.8970 -11.7065 -11.7033 -10.6594 -10.6367 -10.6230 -10.6095 -8.8177 -8.8006 -7.7438 -7.7325 -7.6894 -7.6875 -4.8751 -4.8750 -0.1260 -0.1191 -0.0870 -0.0796 0.4893 0.4940 0.6480 0.6637 1.2791 1.3192 1.3223 1.3693 3.7244 3.7246 3.9716 3.9733 4.0367 4.0388 4.4143 4.4146 4.6875 4.6885 4.7481 4.7656 4.7831 4.8008 4.9673 4.9708 5.0244 5.0294 5.2219 5.2255 5.2380 5.2395 9.3274 9.3275 12.3896 12.3935 12.9313 12.9318 13.5231 13.5233 13.6306 13.6527 13.7699 13.7731 k = 0.0000 0.0000 0.2187 ( 4390 PWs) bands (ev): -26.1053 -26.1053 -14.7429 -14.7429 -11.9812 -11.9696 -11.9045 -11.8981 -11.7010 -11.6978 -10.6537 -10.6305 -10.6190 -10.6052 -8.8264 -8.8089 -7.7499 -7.7384 -7.6986 -7.6967 -4.8724 -4.8723 -0.1196 -0.1141 -0.0699 -0.0637 0.4981 0.5034 0.6592 0.6759 1.2794 1.3209 1.3217 1.3706 3.7411 3.7413 3.9790 3.9805 4.0483 4.0502 4.3947 4.3949 4.6500 4.6502 4.7357 4.7498 4.7730 4.7865 4.9540 4.9566 5.0107 5.0153 5.2279 5.2319 5.2435 5.2457 9.3668 9.3669 12.4115 12.4158 12.9141 12.9141 13.5044 13.5044 13.6075 13.6333 13.7465 13.7495 k = 0.0000 0.0000 0.2344 ( 4390 PWs) bands (ev): -26.1053 -26.1053 -14.7444 -14.7444 -11.9825 -11.9710 -11.9056 -11.8993 -11.6954 -11.6922 -10.6478 -10.6244 -10.6149 -10.6010 -8.8352 -8.8175 -7.7561 -7.7445 -7.7079 -7.7059 -4.8697 -4.8696 -0.1185 -0.1147 -0.0467 -0.0422 0.5069 0.5127 0.6703 0.6880 1.2803 1.3217 1.3228 1.3721 3.7587 3.7590 3.9867 3.9881 4.0600 4.0617 4.3731 4.3734 4.6117 4.6118 4.7240 4.7331 4.7621 4.7701 4.9414 4.9435 4.9963 5.0007 5.2346 5.2387 5.2496 5.2524 9.4063 9.4065 12.4333 12.4381 12.8969 12.8975 13.4848 13.4851 13.5850 13.6143 13.7193 13.7282 k = 0.0000 0.0000 0.2500 ( 4402 PWs) bands (ev): -26.1053 -26.1053 -14.7459 -14.7459 -11.9838 -11.9725 -11.9067 -11.9004 -11.6897 -11.6866 -10.6418 -10.6184 -10.6107 -10.5969 -8.8439 -8.8263 -7.7622 -7.7506 -7.7172 -7.7152 -4.8670 -4.8669 -0.1197 -0.1169 -0.0215 -0.0181 0.5156 0.5219 0.6812 0.6998 1.2817 1.3224 1.3248 1.3738 3.7772 3.7775 3.9949 3.9961 4.0717 4.0732 4.3497 4.3499 4.5740 4.5742 4.7122 4.7153 4.7500 4.7520 4.9296 4.9318 4.9819 4.9861 5.2417 5.2459 5.2561 5.2594 9.4457 9.4458 12.4545 12.4599 12.8808 12.8821 13.4646 13.4654 13.5635 13.5959 13.6918 13.7065 k = 0.0000 0.0000 0.2656 ( 4414 PWs) bands (ev): -26.1053 -26.1053 -14.7474 -14.7474 -11.9851 -11.9740 -11.9078 -11.9016 -11.6840 -11.6810 -10.6356 -10.6125 -10.6065 -10.5929 -8.8525 -8.8350 -7.7681 -7.7568 -7.7263 -7.7243 -4.8643 -4.8642 -0.1218 -0.1197 0.0043 0.0070 0.5240 0.5308 0.6919 0.7111 1.2836 1.3238 1.3269 1.3756 3.7964 3.7967 4.0035 4.0045 4.0832 4.0845 4.3244 4.3247 4.5376 4.5379 4.6964 4.7001 4.7315 4.7378 4.9190 4.9215 4.9677 4.9718 5.2489 5.2532 5.2630 5.2666 9.4844 9.4845 12.4748 12.4807 12.8661 12.8682 13.4440 13.4453 13.5430 13.5783 13.6644 13.6844 k = 0.0000 0.0000 0.2812 ( 4402 PWs) bands (ev): -26.1052 -26.1052 -14.7488 -14.7488 -11.9862 -11.9755 -11.9088 -11.9028 -11.6785 -11.6756 -10.6295 -10.6069 -10.6023 -10.5890 -8.8608 -8.8437 -7.7739 -7.7629 -7.7352 -7.7333 -4.8617 -4.8616 -0.1243 -0.1226 0.0301 0.0324 0.5322 0.5393 0.7023 0.7217 1.2862 1.3260 1.3290 1.3775 3.8163 3.8166 4.0125 4.0132 4.0945 4.0955 4.2976 4.2979 4.5030 4.5034 4.6768 4.6874 4.7103 4.7242 4.9095 4.9127 4.9540 4.9582 5.2563 5.2605 5.2700 5.2738 9.5222 9.5223 12.4937 12.5000 12.8535 12.8562 13.4233 13.4251 13.5238 13.5617 13.6374 13.6625 k = 0.0000 0.0000 0.2968 ( 4402 PWs) bands (ev): -26.1052 -26.1052 -14.7501 -14.7501 -11.9872 -11.9771 -11.9098 -11.9040 -11.6731 -11.6704 -10.6233 -10.6016 -10.5981 -10.5854 -8.8687 -8.8523 -7.7794 -7.7688 -7.7438 -7.7419 -4.8593 -4.8592 -0.1270 -0.1257 0.0555 0.0574 0.5400 0.5473 0.7121 0.7316 1.2892 1.3289 1.3311 1.3794 3.8368 3.8371 4.0218 4.0224 4.1053 4.1060 4.2696 4.2699 4.4703 4.4708 4.6568 4.6743 4.6885 4.7097 4.9012 4.9052 4.9410 4.9455 5.2636 5.2676 5.2770 5.2808 9.5586 9.5587 12.5106 12.5173 12.8433 12.8468 13.4026 13.4049 13.5059 13.5461 13.6112 13.6408 k = 0.0000 0.0000 0.3125 ( 4414 PWs) bands (ev): -26.1052 -26.1052 -14.7515 -14.7515 -11.9882 -11.9786 -11.9106 -11.9052 -11.6679 -11.6654 -10.6173 -10.5966 -10.5940 -10.5820 -8.8763 -8.8606 -7.7847 -7.7746 -7.7520 -7.7502 -4.8569 -4.8568 -0.1297 -0.1286 0.0802 0.0818 0.5474 0.5547 0.7215 0.7405 1.2927 1.3325 1.3331 1.3814 3.8577 3.8579 4.0314 4.0318 4.1154 4.1158 4.2410 4.2414 4.4396 4.4401 4.6369 4.6606 4.6665 4.6944 4.8939 4.8988 4.9289 4.9339 5.2706 5.2745 5.2839 5.2876 9.5932 9.5933 12.5250 12.5321 12.8360 12.8401 13.3822 13.3849 13.4896 13.5317 13.5859 13.6197 k = 0.0000 0.0000 0.3281 ( 4420 PWs) bands (ev): -26.1052 -26.1052 -14.7527 -14.7527 -11.9890 -11.9801 -11.9114 -11.9063 -11.6630 -11.6607 -10.6115 -10.5921 -10.5901 -10.5788 -8.8833 -8.8686 -7.7895 -7.7800 -7.7597 -7.7579 -4.8547 -4.8546 -0.1324 -0.1315 0.1037 0.1050 0.5543 0.5615 0.7302 0.7486 1.2967 1.3350 1.3367 1.3832 3.8789 3.8791 4.0414 4.0415 4.1247 4.1247 4.2124 4.2130 4.4107 4.4112 4.6176 4.6452 4.6467 4.6786 4.8876 4.8935 4.9179 4.9235 5.2774 5.2810 5.2904 5.2940 9.6257 9.6258 12.5366 12.5438 12.8320 12.8366 13.3622 13.3653 13.4748 13.5187 13.5619 13.5994 k = 0.0000 0.0000 0.3437 ( 4420 PWs) bands (ev): -26.1052 -26.1052 -14.7538 -14.7538 -11.9896 -11.9815 -11.9121 -11.9074 -11.6584 -11.6563 -10.6059 -10.5880 -10.5864 -10.5760 -8.8897 -8.8761 -7.7939 -7.7852 -7.7667 -7.7651 -4.8526 -4.8525 -0.1349 -0.1342 0.1258 0.1269 0.5606 0.5675 0.7382 0.7556 1.3010 1.3367 1.3414 1.3848 3.9003 3.9005 4.0516 4.0517 4.1323 4.1328 4.1846 4.1854 4.3834 4.3840 4.5993 4.6250 4.6325 4.6625 4.8822 4.8891 4.9080 4.9143 5.2837 5.2871 5.2966 5.3000 9.6559 9.6560 12.5452 12.5523 12.8314 12.8362 13.3430 13.3463 13.4618 13.5073 13.5394 13.5801 k = 0.0000 0.0000 0.3593 ( 4432 PWs) bands (ev): -26.1051 -26.1051 -14.7549 -14.7549 -11.9902 -11.9829 -11.9126 -11.9085 -11.6542 -11.6523 -10.6006 -10.5844 -10.5829 -10.5736 -8.8954 -8.8831 -7.7978 -7.7900 -7.7732 -7.7717 -4.8508 -4.8507 -0.1372 -0.1366 0.1462 0.1471 0.5664 0.5728 0.7455 0.7616 1.3054 1.3380 1.3464 1.3861 3.9216 3.9218 4.0618 4.0622 4.1379 4.1396 4.1583 4.1600 4.3577 4.3584 4.5827 4.6065 4.6183 4.6463 4.8777 4.8854 4.8992 4.9064 5.2896 5.2926 5.3023 5.3055 9.6833 9.6833 12.5511 12.5578 12.8338 12.8386 13.3248 13.3283 13.4506 13.4975 13.5186 13.5620 k = 0.0000 0.0000 0.3750 ( 4444 PWs) bands (ev): -26.1051 -26.1051 -14.7558 -14.7558 -11.9906 -11.9843 -11.9131 -11.9094 -11.6504 -11.6488 -10.5957 -10.5814 -10.5797 -10.5715 -8.9004 -8.8895 -7.8012 -7.7943 -7.7789 -7.7776 -4.8491 -4.8491 -0.1394 -0.1389 0.1645 0.1653 0.5715 0.5774 0.7521 0.7665 1.3100 1.3390 1.3517 1.3870 3.9426 3.9427 4.0722 4.0730 4.1319 4.1340 4.1447 4.1464 4.3337 4.3343 4.5682 4.5904 4.6043 4.6304 4.8741 4.8825 4.8916 4.8995 5.2948 5.2975 5.3075 5.3103 9.7077 9.7077 12.5545 12.5606 12.8388 12.8432 13.3080 13.3114 13.4413 13.4894 13.4997 13.5453 k = 0.0000 0.0000 0.3906 ( 4444 PWs) bands (ev): -26.1051 -26.1051 -14.7566 -14.7566 -11.9908 -11.9855 -11.9134 -11.9103 -11.6471 -11.6458 -10.5912 -10.5791 -10.5768 -10.5698 -8.9045 -8.8953 -7.8041 -7.7982 -7.7838 -7.7827 -4.8477 -4.8477 -0.1412 -0.1408 0.1805 0.1811 0.5760 0.5811 0.7579 0.7704 1.3146 1.3395 1.3571 1.3875 3.9629 3.9629 4.0825 4.0838 4.1118 4.1125 4.1477 4.1480 4.3113 4.3120 4.5563 4.5770 4.5908 4.6151 4.8712 4.8802 4.8852 4.8937 5.2994 5.3018 5.3120 5.3145 9.7288 9.7288 12.5561 12.5614 12.8453 12.8493 13.2928 13.2960 13.4341 13.4827 13.4831 13.5302 k = 0.0000 0.0000 0.4062 ( 4444 PWs) bands (ev): -26.1051 -26.1051 -14.7572 -14.7572 -11.9910 -11.9866 -11.9136 -11.9111 -11.6443 -11.6433 -10.5872 -10.5773 -10.5742 -10.5685 -8.9078 -8.9002 -7.8063 -7.8016 -7.7878 -7.7869 -4.8465 -4.8465 -0.1427 -0.1424 0.1940 0.1945 0.5798 0.5841 0.7629 0.7732 1.3191 1.3395 1.3624 1.3873 3.9821 3.9821 4.0895 4.0933 4.0946 4.0972 4.1483 4.1492 4.2911 4.2917 4.5472 4.5668 4.5782 4.6007 4.8690 4.8786 4.8798 4.8890 5.3033 5.3053 5.3159 5.3179 9.7464 9.7464 12.5566 12.5608 12.8524 12.8558 13.2797 13.2826 13.4289 13.4677 13.4788 13.5167 k = 0.0000 0.0000 0.4218 ( 4444 PWs) bands (ev): -26.1051 -26.1051 -14.7577 -14.7577 -11.9909 -11.9876 -11.9137 -11.9118 -11.6421 -11.6413 -10.5838 -10.5762 -10.5720 -10.5677 -8.9101 -8.9044 -7.8080 -7.8044 -7.7910 -7.7903 -4.8456 -4.8456 -0.1439 -0.1437 0.2047 0.2050 0.5829 0.5862 0.7672 0.7751 1.3234 1.3390 1.3674 1.3865 3.9995 3.9997 4.0769 4.0778 4.1044 4.1051 4.1469 4.1481 4.2736 4.2741 4.5414 4.5601 4.5666 4.5877 4.8676 4.8754 4.8776 4.8851 5.3065 5.3080 5.3190 5.3205 9.7603 9.7603 12.5564 12.5596 12.8593 12.8619 13.2691 13.2714 13.4258 13.4550 13.4764 13.5050 k = 0.0000 0.0000 0.4375 ( 4444 PWs) bands (ev): -26.1051 -26.1051 -14.7581 -14.7581 -11.9907 -11.9885 -11.9137 -11.9124 -11.6405 -11.6399 -10.5809 -10.5758 -10.5702 -10.5673 -8.9116 -8.9077 -7.8090 -7.8065 -7.7932 -7.7928 -4.8449 -4.8449 -0.1448 -0.1447 0.2125 0.2127 0.5853 0.5876 0.7706 0.7760 1.3273 1.3378 1.3721 1.3850 4.0145 4.0148 4.0646 4.0654 4.1141 4.1152 4.1435 4.1450 4.2598 4.2602 4.5387 4.5566 4.5569 4.5765 4.8669 4.8720 4.8772 4.8820 5.3089 5.3098 5.3214 5.3224 9.7704 9.7704 12.5561 12.5582 12.8650 12.8668 13.2613 13.2629 13.4250 13.4444 13.4761 13.4952 k = 0.0000 0.0000 0.4531 ( 4444 PWs) bands (ev): -26.1051 -26.1051 -14.7584 -14.7584 -11.9904 -11.9893 -11.9135 -11.9129 -11.6394 -11.6392 -10.5786 -10.5761 -10.5688 -10.5673 -8.9120 -8.9101 -7.8094 -7.8081 -7.7946 -7.7943 -4.8445 -4.8445 -0.1453 -0.1453 0.2172 0.2174 0.5870 0.5882 0.7732 0.7759 1.3307 1.3360 1.3763 1.3828 4.0261 4.0265 4.0553 4.0559 4.1232 4.1246 4.1383 4.1398 4.2508 4.2510 4.5391 4.5484 4.5573 4.5674 4.8670 4.8695 4.8774 4.8798 5.3104 5.3109 5.3229 5.3234 9.7764 9.7764 12.5560 12.5571 12.8689 12.8698 13.2566 13.2574 13.4265 13.4362 13.4778 13.4874 k = 0.0000 0.0000 0.4687 ( 4450 PWs) bands (ev): -26.1051 -26.1051 -14.7584 -14.7584 -11.9899 -11.9899 -11.9133 -11.9133 -11.6390 -11.6390 -10.5770 -10.5770 -10.5678 -10.5678 -8.9115 -8.9115 -7.8091 -7.8091 -7.7949 -7.7949 -4.8444 -4.8444 -0.1455 -0.1455 0.2189 0.2189 0.5880 0.5880 0.7750 0.7750 1.3337 1.3337 1.3799 1.3799 4.0316 4.0316 4.0512 4.0512 4.1314 4.1314 4.1329 4.1329 4.2477 4.2477 4.5425 4.5425 4.5608 4.5608 4.8678 4.8678 4.8782 4.8782 5.3111 5.3111 5.3235 5.3235 9.7785 9.7785 12.5563 12.5563 12.8705 12.8705 13.2553 13.2553 13.4302 13.4302 13.4816 13.4816 k = 0.0000 0.0000 0.4687 ( 4450 PWs) bands (ev): -26.1051 -26.1051 -14.7584 -14.7584 -11.9899 -11.9899 -11.9133 -11.9133 -11.6390 -11.6390 -10.5770 -10.5770 -10.5678 -10.5678 -8.9115 -8.9115 -7.8091 -7.8091 -7.7949 -7.7949 -4.8444 -4.8444 -0.1455 -0.1455 0.2189 0.2189 0.5880 0.5880 0.7750 0.7750 1.3337 1.3337 1.3799 1.3799 4.0316 4.0316 4.0512 4.0512 4.1314 4.1314 4.1329 4.1329 4.2477 4.2477 4.5425 4.5425 4.5608 4.5608 4.8678 4.8678 4.8782 4.8782 5.3111 5.3111 5.3235 5.3235 9.7785 9.7785 12.5563 12.5563 12.8705 12.8705 13.2553 13.2553 13.4302 13.4302 13.4816 13.4816 k = 0.0139 0.0080 0.4687 ( 4450 PWs) bands (ev): -26.1051 -26.1051 -14.7577 -14.7576 -11.9919 -11.9900 -11.9144 -11.9144 -11.6396 -11.6373 -10.5774 -10.5773 -10.5682 -10.5682 -8.9118 -8.9106 -7.8090 -7.8090 -7.7955 -7.7937 -4.8424 -4.8416 -0.1549 -0.1386 0.2152 0.2163 0.5780 0.6007 0.7763 0.7763 1.3331 1.3367 1.3810 1.3810 4.0327 4.0328 4.0513 4.0521 4.1121 4.1129 4.1307 4.1311 4.2638 4.2653 4.5436 4.5445 4.5623 4.5623 4.8655 4.8657 4.8761 4.8761 5.3113 5.3114 5.3238 5.3238 9.7804 9.7804 12.5565 12.5600 12.8701 12.8706 13.2560 13.2566 13.4292 13.4311 13.4814 13.4814 k = 0.0278 0.0160 0.4687 ( 4448 PWs) bands (ev): -26.1051 -26.1051 -14.7553 -14.7553 -11.9958 -11.9924 -11.9177 -11.9175 -11.6391 -11.6346 -10.5784 -10.5783 -10.5694 -10.5694 -8.9116 -8.9092 -7.8088 -7.8086 -7.7953 -7.7920 -4.8355 -4.8340 -0.1664 -0.1343 0.2055 0.2075 0.5710 0.6156 0.7800 0.7801 1.3350 1.3420 1.3845 1.3845 4.0363 4.0364 4.0519 4.0521 4.0714 4.0721 4.1266 4.1273 4.2972 4.2994 4.5477 4.5495 4.5667 4.5667 4.8581 4.8583 4.8705 4.8707 5.3123 5.3124 5.3247 5.3247 9.7862 9.7862 12.5606 12.5677 12.8694 12.8702 13.2589 13.2601 13.4283 13.4322 13.4806 13.4807 k = 0.0417 0.0241 0.4687 ( 4448 PWs) bands (ev): -26.1051 -26.1051 -14.7514 -14.7513 -12.0020 -11.9972 -11.9230 -11.9223 -11.6375 -11.6309 -10.5800 -10.5799 -10.5714 -10.5714 -8.9107 -8.9071 -7.8086 -7.8080 -7.7943 -7.7897 -4.8240 -4.8216 -0.1796 -0.1326 0.1904 0.1927 0.5671 0.6319 0.7858 0.7860 1.3394 1.3494 1.3905 1.3906 4.0153 4.0171 4.0424 4.0427 4.0574 4.0614 4.1201 4.1211 4.3333 4.3359 4.5545 4.5570 4.5742 4.5745 4.8443 4.8445 4.8631 4.8636 5.3137 5.3139 5.3259 5.3259 9.7957 9.7958 12.5686 12.5793 12.8683 12.8695 13.2639 13.2656 13.4275 13.4333 13.4795 13.4797 k = 0.0556 0.0321 0.4687 ( 4440 PWs) bands (ev): -26.1050 -26.1050 -14.7459 -14.7458 -12.0104 -12.0050 -11.9300 -11.9284 -11.6349 -11.6263 -10.5823 -10.5823 -10.5741 -10.5740 -8.9093 -8.9046 -7.8083 -7.8072 -7.7925 -7.7869 -4.8077 -4.8046 -0.1942 -0.1334 0.1702 0.1725 0.5660 0.6490 0.7931 0.7937 1.3462 1.3586 1.3996 1.3998 3.9600 3.9615 4.0507 4.0508 4.0614 4.0660 4.1116 4.1127 4.3677 4.3705 4.5631 4.5659 4.5856 4.5863 4.8250 4.8251 4.8542 4.8551 5.3154 5.3158 5.3274 5.3274 9.8089 9.8090 12.5802 12.5946 12.8667 12.8684 13.2709 13.2730 13.4272 13.4347 13.4781 13.4784 k = 0.0694 0.0401 0.4687 ( 4432 PWs) bands (ev): -26.1050 -26.1050 -14.7389 -14.7387 -12.0216 -12.0161 -11.9382 -11.9351 -11.6313 -11.6208 -10.5854 -10.5853 -10.5774 -10.5772 -8.9074 -8.9015 -7.8081 -7.8061 -7.7899 -7.7836 -4.7868 -4.7830 -0.2095 -0.1364 0.1456 0.1473 0.5672 0.6661 0.8012 0.8025 1.3551 1.3691 1.4124 1.4128 3.9010 3.9023 4.0602 4.0611 4.0671 4.0721 4.1018 4.1026 4.3989 4.4018 4.5720 4.5749 4.6014 4.6028 4.8015 4.8017 4.8437 4.8449 5.3173 5.3177 5.3290 5.3290 9.8255 9.8256 12.5952 12.6133 12.8648 12.8668 13.2797 13.2821 13.4274 13.4365 13.4766 13.4772 k = 0.0833 0.0481 0.4687 ( 4432 PWs) bands (ev): -26.1050 -26.1050 -14.7303 -14.7301 -12.0358 -12.0307 -11.9470 -11.9421 -11.6268 -11.6146 -10.5893 -10.5890 -10.5813 -10.5809 -8.9049 -8.8981 -7.8078 -7.8048 -7.7866 -7.7797 -4.7615 -4.7570 -0.2251 -0.1411 0.1171 0.1178 0.5699 0.6828 0.8094 0.8121 1.3657 1.3803 1.4296 1.4303 3.8394 3.8405 4.0669 4.0716 4.0754 4.0790 4.0930 4.0934 4.4265 4.4294 4.5793 4.5822 4.6218 4.6238 4.7758 4.7761 4.8318 4.8332 5.3192 5.3196 5.3305 5.3305 9.8452 9.8454 12.6132 12.6351 12.8623 12.8648 13.2900 13.2923 13.4287 13.4388 13.4754 13.4762 k = 0.0972 0.0561 0.4687 ( 4436 PWs) bands (ev): -26.1050 -26.1050 -14.7202 -14.7200 -12.0533 -12.0492 -11.9560 -11.9490 -11.6214 -11.6077 -10.5940 -10.5935 -10.5856 -10.5849 -8.9019 -8.8941 -7.8074 -7.8034 -7.7826 -7.7754 -4.7318 -4.7267 -0.2407 -0.1471 0.0846 0.0852 0.5735 0.6985 0.8172 0.8219 1.3774 1.3920 1.4519 1.4527 3.7755 3.7765 4.0630 4.0689 4.0836 4.0892 4.0945 4.0971 4.4509 4.4535 4.5823 4.5856 4.6463 4.6486 4.7510 4.7517 4.8185 4.8203 5.3208 5.3212 5.3318 5.3318 9.8678 9.8680 12.6339 12.6597 12.8593 12.8622 13.3014 13.3030 13.4316 13.4418 13.4752 13.4760 k = 0.1111 0.0642 0.4687 ( 4428 PWs) bands (ev): -26.1049 -26.1049 -14.7086 -14.7084 -12.0743 -12.0712 -11.9648 -11.9557 -11.6153 -11.6002 -10.5996 -10.5988 -10.5902 -10.5893 -8.8985 -8.8899 -7.8068 -7.8018 -7.7780 -7.7706 -4.6980 -4.6923 -0.2558 -0.1538 0.0483 0.0503 0.5774 0.7129 0.8243 0.8318 1.3899 1.4042 1.4796 1.4799 3.7098 3.7107 4.0496 4.0548 4.0910 4.0986 4.1092 4.1120 4.4725 4.4748 4.5769 4.5807 4.6735 4.6761 4.7319 4.7330 4.8044 4.8066 5.3222 5.3225 5.3326 5.3327 9.8930 9.8931 12.6569 12.6868 12.8557 12.8589 13.3132 13.3133 13.4365 13.4453 13.4772 13.4775 k = 0.1250 0.0722 0.4687 ( 4424 PWs) bands (ev): -26.1049 -26.1049 -14.6955 -14.6953 -12.0987 -12.0966 -11.9732 -11.9622 -11.6085 -11.5923 -10.6059 -10.6049 -10.5951 -10.5940 -8.8947 -8.8853 -7.8061 -7.8002 -7.7728 -7.7653 -4.6602 -4.6539 -0.2702 -0.1609 0.0091 0.0127 0.5809 0.7253 0.8309 0.8415 1.4030 1.4171 1.5118 1.5127 3.6426 3.6432 4.0325 4.0377 4.0992 4.1079 4.1278 4.1306 4.4917 4.4936 4.5594 4.5635 4.7019 4.7050 4.7234 4.7247 4.7898 4.7928 5.3230 5.3233 5.3330 5.3333 9.9203 9.9205 12.6818 12.7158 12.8515 12.8550 13.3221 13.3246 13.4432 13.4485 13.4821 13.4832 k = 0.1389 0.0802 0.4687 ( 4422 PWs) bands (ev): -26.1048 -26.1048 -14.6810 -14.6807 -12.1263 -12.1251 -11.9812 -11.9687 -11.6011 -11.5840 -10.6128 -10.6117 -10.6002 -10.5990 -8.8906 -8.8804 -7.8052 -7.7984 -7.7671 -7.7596 -4.6187 -4.6119 -0.2836 -0.1680 -0.0323 -0.0270 0.5835 0.7352 0.8372 0.8511 1.4169 1.4306 1.5480 1.5507 3.5741 3.5746 4.0132 4.0186 4.1078 4.1173 4.1484 4.1512 4.5075 4.5081 4.5325 4.5359 4.7241 4.7254 4.7303 4.7351 4.7763 4.7814 5.3233 5.3233 5.3329 5.3334 9.9495 9.9496 12.7082 12.7464 12.8465 12.8504 13.3284 13.3345 13.4505 13.4510 13.4924 13.4952 k = 0.1528 0.0882 0.4687 ( 4420 PWs) bands (ev): -26.1048 -26.1048 -14.6650 -14.6647 -12.1569 -12.1565 -11.9888 -11.9750 -11.5932 -11.5754 -10.6203 -10.6190 -10.6056 -10.6043 -8.8861 -8.8753 -7.8042 -7.7966 -7.7610 -7.7534 -4.5737 -4.5665 -0.2961 -0.1749 -0.0755 -0.0684 0.5849 0.7419 0.8440 0.8607 1.4313 1.4448 1.5879 1.5930 3.5047 3.5050 3.9921 3.9978 4.1164 4.1267 4.1706 4.1735 4.4865 4.4909 4.5310 4.5323 4.7326 4.7347 4.7439 4.7512 4.7770 4.7840 5.3226 5.3228 5.3325 5.3332 9.9801 9.9802 12.7356 12.7781 12.8407 12.8449 13.3321 13.3423 13.4532 13.4570 13.5105 13.5136 k = 0.1667 0.0962 0.4687 ( 4420 PWs) bands (ev): -26.1047 -26.1047 -14.6477 -14.6474 -12.1904 -12.1902 -11.9960 -11.9812 -11.5849 -11.5665 -10.6283 -10.6269 -10.6113 -10.6099 -8.8814 -8.8701 -7.8030 -7.7948 -7.7545 -7.7469 -4.5255 -4.5179 -0.3077 -0.1824 -0.1192 -0.1110 0.5849 0.7452 0.8520 0.8704 1.4465 1.4597 1.6311 1.6389 3.4349 3.4349 3.9691 3.9753 4.1247 4.1357 4.1939 4.1970 4.4442 4.4491 4.5456 4.5472 4.7328 4.7336 4.7519 4.7532 4.8038 4.8078 5.3211 5.3214 5.3318 5.3327 10.0118 10.0120 12.7637 12.8106 12.8340 12.8386 13.3334 13.3476 13.4560 13.4628 13.5358 13.5381 k = 0.1806 0.1042 0.4687 ( 4416 PWs) bands (ev): -26.1047 -26.1047 -14.6290 -14.6287 -12.2266 -12.2259 -12.0029 -11.9873 -11.5762 -11.5575 -10.6367 -10.6351 -10.6171 -10.6156 -8.8764 -8.8648 -7.8017 -7.7929 -7.7477 -7.7401 -4.4742 -4.4663 -0.3190 -0.1958 -0.1574 -0.1538 0.5833 0.7448 0.8615 0.8803 1.4623 1.4753 1.6768 1.6875 3.3648 3.3650 3.9442 3.9508 4.1325 4.1441 4.2176 4.2210 4.3992 4.4043 4.5604 4.5622 4.7198 4.7214 4.7675 4.7677 4.8346 4.8377 5.3187 5.3192 5.3308 5.3318 10.0443 10.0445 12.7919 12.8262 12.8316 12.8437 13.3328 13.3505 13.4600 13.4691 13.5671 13.5680 k = 0.1944 0.1123 0.4687 ( 4414 PWs) bands (ev): -26.1046 -26.1046 -14.6090 -14.6087 -12.2648 -12.2638 -12.0095 -11.9934 -11.5673 -11.5484 -10.6454 -10.6437 -10.6231 -10.6216 -8.8713 -8.8594 -7.8002 -7.7910 -7.7405 -7.7330 -4.4202 -4.4120 -0.3313 -0.2305 -0.1953 -0.1746 0.5802 0.7414 0.8724 0.8907 1.4787 1.4915 1.7243 1.7379 3.2952 3.2956 3.9172 3.9243 4.1394 4.1516 4.2399 4.2440 4.3557 4.3607 4.5740 4.5765 4.7057 4.7080 4.7847 4.7854 4.8657 4.8686 5.3156 5.3162 5.3296 5.3307 10.0773 10.0774 12.8158 12.8177 12.8280 12.8767 13.3308 13.3513 13.4659 13.4766 13.6026 13.6031 k = 0.2083 0.1203 0.4687 ( 4422 PWs) bands (ev): -26.1046 -26.1046 -14.5878 -14.5874 -12.3048 -12.3035 -12.0158 -11.9994 -11.5583 -11.5393 -10.6543 -10.6525 -10.6293 -10.6278 -8.8661 -8.8540 -7.7986 -7.7892 -7.7331 -7.7257 -4.3639 -4.3554 -0.3474 -0.2778 -0.2323 -0.1789 0.5756 0.7353 0.8845 0.9015 1.4957 1.5082 1.7727 1.7890 3.2269 3.2275 3.8877 3.8953 4.1452 4.1580 4.2520 4.2579 4.3235 4.3273 4.5860 4.5897 4.6923 4.6958 4.8030 4.8038 4.8966 4.8996 5.3117 5.3124 5.3281 5.3292 10.1104 10.1105 12.8080 12.8116 12.8514 12.9097 13.3278 13.3506 13.4738 13.4857 13.6410 13.6429 k = 0.2222 0.1283 0.4687 ( 4414 PWs) bands (ev): -26.1045 -26.1045 -14.5654 -14.5650 -12.3463 -12.3448 -12.0217 -12.0053 -11.5491 -11.5302 -10.6633 -10.6615 -10.6356 -10.6340 -8.8608 -8.8486 -7.7969 -7.7873 -7.7256 -7.7182 -4.3054 -4.2968 -0.3721 -0.3285 -0.2598 -0.1792 0.5698 0.7274 0.8975 0.9129 1.5131 1.5254 1.8210 1.8396 3.1607 3.1615 3.8556 3.8635 4.1495 4.1630 4.2331 4.2410 4.3246 4.3270 4.5951 4.6008 4.6807 4.6863 4.8216 4.8226 4.9273 4.9303 5.3073 5.3080 5.3264 5.3275 10.1433 10.1434 12.7972 12.8013 12.8797 12.9425 13.3242 13.3487 13.4837 13.4966 13.6824 13.6856 k = 0.2361 0.1363 0.4687 ( 4414 PWs) bands (ev): -26.1045 -26.1045 -14.5419 -14.5415 -12.3891 -12.3874 -12.0274 -12.0110 -11.5399 -11.5212 -10.6725 -10.6706 -10.6419 -10.6403 -8.8556 -8.8433 -7.7951 -7.7854 -7.7179 -7.7106 -4.2451 -4.2364 -0.4076 -0.3809 -0.2753 -0.1772 0.5630 0.7182 0.9111 0.9248 1.5309 1.5429 1.8678 1.8886 3.0977 3.0986 3.8205 3.8288 4.1521 4.1661 4.1965 4.2047 4.3466 4.3492 4.6003 4.6084 4.6725 4.6807 4.8401 4.8413 4.9574 4.9606 5.3024 5.3030 5.3244 5.3255 10.1758 10.1759 12.7854 12.7897 12.9080 12.9751 13.3202 13.3462 13.4958 13.5095 13.7261 13.7306 k = 0.2500 0.1443 0.4687 ( 4414 PWs) bands (ev): -26.1044 -26.1044 -14.5174 -14.5169 -12.4329 -12.4311 -12.0328 -12.0166 -11.5308 -11.5123 -10.6816 -10.6797 -10.6483 -10.6467 -8.8503 -8.8382 -7.7933 -7.7836 -7.7101 -7.7030 -4.1834 -4.1746 -0.4514 -0.4344 -0.2813 -0.1732 0.5556 0.7082 0.9253 0.9372 1.5491 1.5608 1.9118 1.9341 3.0394 3.0402 3.7825 3.7909 4.1505 4.1555 4.1687 4.1699 4.3740 4.3768 4.6006 4.6108 4.6697 4.6801 4.8582 4.8596 4.9871 4.9904 5.2972 5.2978 5.3223 5.3233 10.2077 10.2078 12.7726 12.7769 12.9362 13.0072 13.3161 13.3432 13.5100 13.5244 13.7710 13.7772 k = 0.2639 0.1524 0.4687 ( 4418 PWs) bands (ev): -26.1043 -26.1043 -14.4919 -14.4915 -12.4775 -12.4756 -12.0379 -12.0220 -11.5217 -11.5036 -10.6907 -10.6887 -10.6547 -10.6531 -8.8452 -8.8332 -7.7913 -7.7818 -7.7024 -7.6954 -4.1205 -4.1117 -0.4998 -0.4885 -0.2812 -0.1674 0.5479 0.6978 0.9397 0.9500 1.5675 1.5788 1.9511 1.9745 2.9874 2.9879 3.7416 3.7500 4.1196 4.1259 4.1557 4.1686 4.4032 4.4061 4.5967 4.6076 4.6726 4.6837 4.8756 4.8772 5.0161 5.0195 5.2918 5.2922 5.3199 5.3209 10.2388 10.2388 12.7588 12.7631 12.9643 13.0390 13.3119 13.3403 13.5262 13.5413 13.8164 13.8246 k = 0.2778 0.1604 0.4687 ( 4422 PWs) bands (ev): -26.1043 -26.1043 -14.4657 -14.4652 -12.5226 -12.5207 -12.0427 -12.0272 -11.5127 -11.4952 -10.6996 -10.6976 -10.6609 -10.6594 -8.8401 -8.8284 -7.7894 -7.7801 -7.6947 -7.6879 -4.0570 -4.0482 -0.5506 -0.5430 -0.2771 -0.1601 0.5402 0.6874 0.9542 0.9632 1.5859 1.5968 1.9839 2.0075 2.9437 2.9440 3.6981 3.7063 4.0859 4.0928 4.1519 4.1660 4.4332 4.4362 4.5903 4.6010 4.6791 4.6900 4.8920 4.8938 5.0444 5.0479 5.2862 5.2865 5.3174 5.3183 10.2688 10.2688 12.7441 12.7484 12.9923 13.0702 13.3078 13.3376 13.5443 13.5601 13.8612 13.8724 k = 0.2917 0.1684 0.4687 ( 4418 PWs) bands (ev): -26.1042 -26.1042 -14.4388 -14.4383 -12.5679 -12.5660 -12.0471 -12.0322 -11.5040 -11.4870 -10.7084 -10.7064 -10.6671 -10.6655 -8.8352 -8.8238 -7.7874 -7.7785 -7.6871 -7.6805 -3.9930 -3.9843 -0.6027 -0.5976 -0.2700 -0.1514 0.5329 0.6772 0.9689 0.9767 1.6044 1.6149 2.0078 2.0309 2.9096 2.9112 3.6527 3.6605 4.0552 4.0621 4.1466 4.1613 4.4635 4.4667 4.5829 4.5931 4.6870 4.6974 4.9072 4.9092 5.0719 5.0754 5.2807 5.2809 5.3149 5.3157 10.2976 10.2976 12.7287 12.7329 13.0203 13.1009 13.3040 13.3356 13.5641 13.5807 13.9044 13.9197 k = 0.3056 0.1764 0.4687 ( 4414 PWs) bands (ev): -26.1042 -26.1042 -14.4113 -14.4108 -12.6132 -12.6113 -12.0513 -12.0370 -11.4954 -11.4792 -10.7168 -10.7149 -10.6731 -10.6716 -8.8304 -8.8195 -7.7855 -7.7769 -7.6797 -7.6733 -3.9292 -3.9206 -0.6552 -0.6520 -0.2606 -0.1416 0.5263 0.6675 0.9835 0.9903 1.6227 1.6328 2.0211 2.0426 2.8874 2.8909 3.6058 3.6132 4.0276 4.0342 4.1393 4.1544 4.4940 4.4972 4.5753 4.5849 4.6953 4.7051 4.9209 4.9232 5.0985 5.1020 5.2755 5.2755 5.3124 5.3131 10.3252 10.3252 12.7127 12.7168 13.0483 13.1307 13.3005 13.3347 13.5854 13.6028 13.9447 13.9660 k = 0.3194 0.1844 0.4687 ( 4420 PWs) bands (ev): -26.1041 -26.1041 -14.3834 -14.3829 -12.6582 -12.6563 -12.0551 -12.0415 -11.4872 -11.4718 -10.7250 -10.7231 -10.6789 -10.6774 -8.8258 -8.8154 -7.7835 -7.7754 -7.6725 -7.6664 -3.8658 -3.8574 -0.7077 -0.7059 -0.2492 -0.1310 0.5207 0.6585 0.9981 1.0040 1.6408 1.6503 2.0226 2.0418 2.8784 2.8842 3.5584 3.5652 4.0029 4.0090 4.1298 4.1452 4.5243 4.5276 4.5680 4.5771 4.7034 4.7127 4.9328 4.9353 5.1240 5.1275 5.2705 5.2706 5.3098 5.3105 10.3513 10.3513 12.6963 12.7002 13.0764 13.1590 13.2973 13.3356 13.6080 13.6263 13.9807 14.0104 k = 0.3333 0.1925 0.4687 ( 4420 PWs) bands (ev): -26.1041 -26.1041 -14.3554 -14.3549 -12.7025 -12.7007 -12.0587 -12.0458 -11.4793 -11.4648 -10.7328 -10.7309 -10.6844 -10.6830 -8.8215 -8.8116 -7.7816 -7.7739 -7.6655 -7.6598 -3.8034 -3.7953 -0.7597 -0.7590 -0.2363 -0.1200 0.5165 0.6504 1.0123 1.0176 1.6584 1.6675 2.0124 2.0288 2.8822 2.8907 3.5111 3.5174 3.9808 3.9864 4.1182 4.1339 4.5542 4.5573 4.5616 4.5698 4.7111 4.7198 4.9427 4.9454 5.1483 5.1517 5.2661 5.2663 5.3074 5.3079 10.3759 10.3759 12.6796 12.6833 13.1047 13.1851 13.2948 13.3391 13.6315 13.6507 14.0108 14.0522 k = 0.3472 0.2005 0.4687 ( 4418 PWs) bands (ev): -26.1040 -26.1040 -14.3274 -14.3269 -12.7459 -12.7442 -12.0618 -12.0498 -11.4718 -11.4582 -10.7402 -10.7384 -10.6896 -10.6883 -8.8174 -8.8082 -7.7798 -7.7726 -7.6589 -7.6535 -3.7425 -3.7347 -0.8108 -0.8107 -0.2222 -0.1088 0.5139 0.6432 1.0263 1.0309 1.6755 1.6841 1.9919 2.0053 2.8977 2.9087 3.4647 3.4704 3.9610 3.9661 4.1046 4.1204 4.5545 4.5622 4.5845 4.5877 4.7183 4.7265 4.9503 4.9533 5.1713 5.1745 5.2624 5.2628 5.3051 5.3055 10.3989 10.3989 12.6630 12.6665 13.1329 13.2077 13.2930 13.3467 13.6556 13.6759 14.0336 14.0904 k = 0.3611 0.2085 0.4687 ( 4422 PWs) bands (ev): -26.1040 -26.1040 -14.2997 -14.2992 -12.7879 -12.7863 -12.0647 -12.0536 -11.4647 -11.4521 -10.7471 -10.7454 -10.6946 -10.6933 -8.8136 -8.8050 -7.7781 -7.7714 -7.6527 -7.6477 -3.6836 -3.6762 -0.8609 -0.8602 -0.2072 -0.0980 0.5132 0.6369 1.0398 1.0439 1.6920 1.7000 1.9633 1.9739 2.9226 2.9357 3.4198 3.4250 3.9432 3.9478 4.0892 4.1051 4.5486 4.5559 4.6135 4.6168 4.7250 4.7326 4.9554 4.9587 5.1928 5.1957 5.2595 5.2601 5.3029 5.3032 10.4202 10.4203 12.6466 12.6498 13.1608 13.2255 13.2925 13.3595 13.6798 13.7013 14.0474 14.1237 k = 0.3750 0.2165 0.4687 ( 4418 PWs) bands (ev): -26.1039 -26.1039 -14.2727 -14.2722 -12.8282 -12.8267 -12.0672 -12.0571 -11.4581 -11.4466 -10.7534 -10.7519 -10.6991 -10.6979 -8.8101 -8.8022 -7.7764 -7.7704 -7.6469 -7.6423 -3.6273 -3.6203 -0.9088 -0.9077 -0.1915 -0.0878 0.5145 0.6316 1.0526 1.0564 1.7075 1.7150 1.9293 1.9374 2.9542 2.9689 3.3771 3.3818 3.9275 3.9315 4.0723 4.0881 4.5432 4.5499 4.6419 4.6453 4.7312 4.7382 4.9580 4.9615 5.2125 5.2151 5.2578 5.2585 5.3009 5.3010 10.4398 10.4399 12.6308 12.6337 13.1875 13.2379 13.2941 13.3780 13.7038 13.7266 14.0514 14.1504 k = 0.3889 0.2245 0.4687 ( 4422 PWs) bands (ev): -26.1039 -26.1039 -14.2466 -14.2461 -12.8663 -12.8649 -12.0694 -12.0603 -11.4520 -11.4416 -10.7593 -10.7578 -10.7033 -10.7022 -8.8068 -8.7997 -7.7748 -7.7694 -7.6415 -7.6373 -3.5742 -3.5677 -0.9541 -0.9526 -0.1756 -0.0788 0.5179 0.6272 1.0648 1.0682 1.7220 1.7289 1.8923 1.8982 2.9902 3.0058 3.3372 3.3413 3.9136 3.9171 4.0543 4.0698 4.5382 4.5443 4.6695 4.6729 4.7369 4.7432 4.9581 4.9617 5.2299 5.2321 5.2576 5.2583 5.2991 5.2992 10.4576 10.4576 12.6156 12.6183 13.2114 13.2455 13.2995 13.4012 13.7271 13.7513 14.0460 14.1679 k = 0.4028 0.2325 0.4687 ( 4410 PWs) bands (ev): -26.1038 -26.1038 -14.2219 -14.2215 -12.9018 -12.9005 -12.0713 -12.0632 -11.4464 -11.4372 -10.7645 -10.7632 -10.7070 -10.7060 -8.8038 -8.7976 -7.7734 -7.7686 -7.6366 -7.6329 -3.5249 -3.5190 -0.9961 -0.9945 -0.1597 -0.0711 0.5233 0.6234 1.0760 1.0791 1.7352 1.7415 1.8546 1.8587 3.0282 3.0442 3.3007 3.3042 3.9014 3.9044 4.0357 4.0507 4.5338 4.5391 4.6961 4.6995 4.7421 4.7478 4.9555 4.9593 5.2434 5.2449 5.2605 5.2609 5.2973 5.2977 10.4735 10.4735 12.6016 12.6040 13.2299 13.2498 13.3113 13.4270 13.7491 13.7748 14.0330 14.1732 k = 0.4167 0.2406 0.4687 ( 4412 PWs) bands (ev): -26.1038 -26.1038 -14.1990 -14.1986 -12.9341 -12.9330 -12.0729 -12.0659 -11.4414 -11.4334 -10.7690 -10.7679 -10.7103 -10.7094 -8.8012 -8.7958 -7.7721 -7.7680 -7.6323 -7.6291 -3.4802 -3.4750 -1.0342 -1.0326 -0.1442 -0.0653 0.5307 0.6201 1.0863 1.0891 1.7465 1.7524 1.8183 1.8213 3.0664 3.0821 3.2679 3.2710 3.8909 3.8934 4.0170 4.0311 4.5298 4.5345 4.7214 4.7247 4.7470 4.7521 4.9506 4.9544 5.2504 5.2507 5.2687 5.2688 5.2958 5.2965 10.4874 10.4875 12.5888 12.5909 13.2412 13.2520 13.3310 13.4534 13.7694 13.7967 14.0150 14.1639 k = 0.4306 0.2486 0.4687 ( 4416 PWs) bands (ev): -26.1038 -26.1038 -14.1784 -14.1781 -12.9628 -12.9618 -12.0741 -12.0682 -11.4370 -11.4303 -10.7730 -10.7720 -10.7131 -10.7124 -8.7989 -8.7943 -7.7709 -7.7674 -7.6285 -7.6258 -3.4408 -3.4362 -1.0678 -1.0663 -0.1293 -0.0613 0.5396 0.6169 1.0953 1.0978 1.7540 1.7597 1.7868 1.7892 3.1029 3.1176 3.2395 3.2422 3.8821 3.8841 3.9989 4.0118 4.5264 4.5303 4.7435 4.7466 4.7533 4.7577 4.9436 4.9474 5.2529 5.2530 5.2787 5.2791 5.2946 5.2960 10.4994 10.4994 12.5775 12.5793 13.2470 13.2530 13.3568 13.4781 13.7878 13.8163 13.9956 14.1411 k = 0.4444 0.2566 0.4687 ( 4404 PWs) bands (ev): -26.1038 -26.1038 -14.1606 -14.1603 -12.9872 -12.9865 -12.0749 -12.0702 -11.4333 -11.4278 -10.7762 -10.7754 -10.7154 -10.7148 -8.7969 -8.7932 -7.7698 -7.7671 -7.6254 -7.6232 -3.4072 -3.4035 -1.0964 -1.0950 -0.1153 -0.0594 0.5496 0.6134 1.1031 1.1051 1.7455 1.7481 1.7759 1.7765 3.1358 3.1489 3.2160 3.2182 3.8749 3.8764 3.9825 3.9937 4.5236 4.5268 4.7523 4.7553 4.7707 4.7744 4.9348 4.9385 5.2543 5.2546 5.2863 5.2881 5.2942 5.2970 10.5093 10.5093 12.5680 12.5694 13.2498 13.2533 13.3859 13.4984 13.8044 13.8331 13.9782 14.1088 k = 0.4583 0.2646 0.4687 ( 4396 PWs) bands (ev): -26.1037 -26.1037 -14.1461 -14.1459 -13.0069 -13.0063 -12.0755 -12.0719 -11.4302 -11.4261 -10.7787 -10.7781 -10.7172 -10.7168 -8.7952 -8.7924 -7.7689 -7.7669 -7.6228 -7.6211 -3.3802 -3.3774 -1.1193 -1.1181 -0.1024 -0.0596 0.5602 0.6092 1.1094 1.1110 1.7241 1.7254 1.7793 1.7809 3.1629 3.1731 3.1991 3.2004 3.8693 3.8704 3.9685 3.9776 4.5215 4.5238 4.7557 4.7581 4.7910 4.7943 4.9249 4.9283 5.2555 5.2557 5.2894 5.2913 5.2981 5.3007 10.5170 10.5170 12.5605 12.5616 13.2511 13.2532 13.4160 13.5118 13.8197 13.8465 13.9657 14.0721 k = 0.4722 0.2726 0.4687 ( 4392 PWs) bands (ev): -26.1037 -26.1037 -14.1354 -14.1352 -13.0213 -13.0209 -12.0757 -12.0733 -11.4277 -11.4250 -10.7804 -10.7801 -10.7185 -10.7182 -8.7939 -8.7920 -7.7682 -7.7668 -7.6209 -7.6198 -3.3604 -3.3584 -1.1359 -1.1352 -0.0909 -0.0620 0.5707 0.6040 1.1140 1.1152 1.7064 1.7072 1.7838 1.7851 3.1757 3.1782 3.1958 3.1997 3.8654 3.8661 3.9582 3.9645 4.5200 4.5216 4.7580 4.7596 4.8090 4.8118 4.9148 4.9177 5.2564 5.2566 5.2901 5.2910 5.3035 5.3050 10.5226 10.5226 12.5550 12.5557 13.2518 13.2530 13.4453 13.5158 13.8343 13.8555 13.9602 14.0354 k = 0.4861 0.2807 0.4687 ( 4392 PWs) bands (ev): -26.1037 -26.1037 -14.1287 -14.1286 -13.0301 -13.0299 -12.0756 -12.0744 -11.4260 -11.4246 -10.7815 -10.7813 -10.7192 -10.7190 -8.7929 -8.7920 -7.7676 -7.7669 -7.6196 -7.6191 -3.3480 -3.3471 -1.1460 -1.1456 -0.0810 -0.0664 0.5808 0.5976 1.1170 1.1176 1.6953 1.6957 1.7869 1.7876 3.1718 3.1719 3.2059 3.2091 3.8631 3.8634 3.9522 3.9555 4.5193 4.5201 4.7595 4.7603 4.8225 4.8243 4.9068 4.9086 5.2571 5.2572 5.2902 5.2906 5.3071 5.3078 10.5259 10.5259 12.5518 12.5521 13.2521 13.2527 13.4722 13.5097 13.8474 13.8592 13.9637 14.0027 k = 0.5000 0.2887 0.4687 ( 4392 PWs) bands (ev): -26.1037 -26.1037 -14.1265 -14.1265 -13.0330 -13.0330 -12.0751 -12.0751 -11.4250 -11.4250 -10.7817 -10.7817 -10.7194 -10.7194 -8.7923 -8.7923 -7.7672 -7.7672 -7.6190 -7.6190 -3.3436 -3.3436 -1.1493 -1.1493 -0.0728 -0.0728 0.5898 0.5898 1.1182 1.1182 1.6917 1.6917 1.7882 1.7882 3.1695 3.1695 3.2115 3.2115 3.8624 3.8624 3.9513 3.9513 4.5193 4.5193 4.7603 4.7603 4.8285 4.8285 4.9041 4.9041 5.2573 5.2573 5.2904 5.2904 5.3085 5.3085 10.5270 10.5270 12.5508 12.5508 13.2524 13.2524 13.4944 13.4944 13.8565 13.8565 13.9779 13.9779 k = 0.5000 0.2887 0.4687 ( 4392 PWs) bands (ev): -26.1037 -26.1037 -14.1265 -14.1265 -13.0330 -13.0330 -12.0751 -12.0751 -11.4250 -11.4250 -10.7817 -10.7817 -10.7194 -10.7194 -8.7923 -8.7923 -7.7672 -7.7672 -7.6190 -7.6190 -3.3436 -3.3436 -1.1493 -1.1493 -0.0728 -0.0728 0.5898 0.5898 1.1182 1.1182 1.6917 1.6917 1.7882 1.7882 3.1695 3.1695 3.2115 3.2115 3.8624 3.8624 3.9513 3.9513 4.5193 4.5193 4.7603 4.7603 4.8285 4.8285 4.9041 4.9041 5.2573 5.2573 5.2904 5.2904 5.3085 5.3085 10.5270 10.5270 12.5508 12.5508 13.2524 13.2524 13.4944 13.4944 13.8565 13.8565 13.9779 13.9779 k = 0.4921 0.3024 0.4687 ( 4384 PWs) bands (ev): -26.1037 -26.1037 -14.1259 -14.1258 -13.0348 -13.0318 -12.0781 -12.0740 -11.4250 -11.4241 -10.7905 -10.7833 -10.7174 -10.7114 -8.7932 -8.7911 -7.7681 -7.7658 -7.6196 -7.6186 -3.3426 -3.3420 -1.1541 -1.1484 -0.0724 -0.0703 0.5850 0.5936 1.1090 1.1284 1.6874 1.6962 1.7883 1.7910 3.1653 3.1677 3.2044 3.2075 3.8645 3.8674 3.9541 3.9551 4.5197 4.5202 4.7585 4.7600 4.8277 4.8301 4.9032 4.9047 5.2513 5.2550 5.2922 5.2960 5.3090 5.3099 10.5273 10.5274 12.5503 12.5504 13.2520 13.2548 13.4742 13.5083 13.8401 13.8730 13.9742 13.9818 k = 0.4841 0.3162 0.4687 ( 4380 PWs) bands (ev): -26.1037 -26.1037 -14.1243 -14.1240 -13.0372 -13.0311 -12.0828 -12.0747 -11.4243 -11.4225 -10.8050 -10.7939 -10.7066 -10.6981 -8.7938 -8.7896 -7.7687 -7.7639 -7.6204 -7.6185 -3.3391 -3.3379 -1.1626 -1.1514 -0.0693 -0.0651 0.5792 0.5963 1.1009 1.1392 1.6837 1.7008 1.7913 1.7964 3.1547 3.1604 3.1866 3.1932 3.8734 3.8790 3.9632 3.9651 4.5213 4.5222 4.7549 4.7577 4.8278 4.8323 4.9020 4.9050 5.2414 5.2464 5.2990 5.3038 5.3113 5.3142 10.5282 10.5284 12.5490 12.5492 13.2533 13.2593 13.4493 13.5145 13.8249 13.8879 13.9710 13.9856 k = 0.4762 0.3299 0.4687 ( 4384 PWs) bands (ev): -26.1037 -26.1037 -14.1214 -14.1210 -13.0401 -13.0311 -12.0892 -12.0771 -11.4228 -11.4201 -10.8218 -10.8088 -10.6919 -10.6828 -8.7941 -8.7879 -7.7688 -7.7617 -7.6215 -7.6185 -3.3330 -3.3313 -1.1749 -1.1582 -0.0636 -0.0570 0.5727 0.5977 1.0939 1.1504 1.6811 1.7054 1.7974 1.8041 3.1361 3.1480 3.1593 3.1715 3.8884 3.8959 3.9783 3.9807 4.5240 4.5254 4.7496 4.7534 4.8287 4.8349 4.9008 4.9052 5.2305 5.2358 5.3050 5.3097 5.3171 5.3226 10.5297 10.5300 12.5468 12.5471 13.2560 13.2658 13.4214 13.5127 13.8116 13.8995 13.9690 13.9890 k = 0.4683 0.3437 0.4687 ( 4392 PWs) bands (ev): -26.1037 -26.1037 -14.1175 -14.1170 -13.0437 -13.0316 -12.0972 -12.0811 -11.4206 -11.4170 -10.8395 -10.8254 -10.6759 -10.6669 -8.7942 -8.7860 -7.7684 -7.7591 -7.6228 -7.6188 -3.3245 -3.3223 -1.1906 -1.1687 -0.0554 -0.0463 0.5653 0.5978 1.0880 1.1615 1.6801 1.7104 1.8063 1.8138 3.1071 3.1236 3.1317 3.1469 3.9082 3.9170 3.9984 4.0011 4.5278 4.5297 4.7428 4.7471 4.8302 4.8375 4.8996 4.9052 5.2194 5.2247 5.3092 5.3137 5.3265 5.3331 10.5317 10.5321 12.5439 12.5442 13.2591 13.2744 13.3929 13.5034 13.7996 13.9061 13.9688 13.9917 k = 0.4603 0.3574 0.4687 ( 4396 PWs) bands (ev): -26.1037 -26.1037 -14.1125 -14.1118 -13.0478 -13.0328 -12.1067 -12.0867 -11.4177 -11.4131 -10.8577 -10.8427 -10.6596 -10.6510 -8.7941 -8.7839 -7.7677 -7.7561 -7.6242 -7.6194 -3.3136 -3.3110 -1.2096 -1.1826 -0.0447 -0.0330 0.5574 0.5967 1.0829 1.1719 1.6813 1.7162 1.8177 1.8255 3.0677 3.0815 3.1113 3.1222 3.9317 3.9410 4.0226 4.0253 4.5327 4.5349 4.7347 4.7392 4.8321 4.8399 4.8988 4.9054 5.2088 5.2140 5.3128 5.3173 5.3370 5.3439 10.5344 10.5349 12.5402 12.5406 13.2605 13.2849 13.3669 13.4884 13.7881 13.9066 13.9704 13.9932 k = 0.4524 0.3712 0.4687 ( 4402 PWs) bands (ev): -26.1037 -26.1037 -14.1065 -14.1056 -13.0526 -13.0346 -12.1173 -12.0935 -11.4141 -11.4086 -10.8759 -10.8602 -10.6434 -10.6354 -8.7937 -8.7816 -7.7665 -7.7528 -7.6258 -7.6201 -3.3004 -3.2975 -1.2314 -1.1997 -0.0319 -0.0172 0.5489 0.5944 1.0785 1.1812 1.6851 1.7232 1.8313 1.8389 3.0208 3.0336 3.0880 3.0967 3.9577 3.9671 4.0497 4.0522 4.5385 4.5410 4.7252 4.7297 4.8341 4.8420 4.8984 4.9056 5.1989 5.2039 5.3163 5.3209 5.3474 5.3545 10.5376 10.5381 12.5358 12.5363 13.2561 13.2971 13.3485 13.4696 13.7759 13.9017 13.9727 13.9928 k = 0.4444 0.3849 0.4687 ( 4406 PWs) bands (ev): -26.1037 -26.1037 -14.0995 -14.0984 -13.0581 -13.0371 -12.1288 -12.1014 -11.4098 -11.4033 -10.8941 -10.8778 -10.6277 -10.6203 -8.7931 -8.7792 -7.7650 -7.7492 -7.6276 -7.6210 -3.2851 -3.2819 -1.2557 -1.2195 -0.0170 0.0009 0.5399 0.5908 1.0743 1.1890 1.6919 1.7318 1.8470 1.8540 2.9686 2.9811 3.0626 3.0701 3.9854 3.9944 4.0788 4.0810 4.5451 4.5479 4.7145 4.7190 4.8360 4.8437 4.8985 4.9061 5.1900 5.1949 5.3195 5.3243 5.3575 5.3646 10.5412 10.5418 12.5308 12.5315 13.2421 13.3102 13.3424 13.4495 13.7618 13.8925 13.9739 13.9902 k = 0.4365 0.3986 0.4687 ( 4402 PWs) bands (ev): -26.1037 -26.1037 -14.0916 -14.0903 -13.0642 -13.0404 -12.1411 -12.1102 -11.4049 -11.3974 -10.9121 -10.8951 -10.6127 -10.6059 -8.7923 -8.7767 -7.7632 -7.7453 -7.6295 -7.6221 -3.2679 -3.2644 -1.2822 -1.2418 -0.0003 0.0211 0.5303 0.5861 1.0702 1.1948 1.7020 1.7424 1.8644 1.8707 2.9126 2.9251 3.0355 3.0424 4.0141 4.0225 4.1091 4.1109 4.5522 4.5552 4.7027 4.7071 4.8379 4.8451 4.8988 4.9066 5.1824 5.1872 5.3224 5.3272 5.3671 5.3741 10.5453 10.5460 12.5254 12.5261 13.2203 13.3226 13.3476 13.4309 13.7454 13.8798 13.9730 13.9850 k = 0.4286 0.4124 0.4687 ( 4394 PWs) bands (ev): -26.1037 -26.1037 -14.0830 -14.0815 -13.0710 -13.0444 -12.1538 -12.1195 -11.3995 -11.3909 -10.9298 -10.9123 -10.5984 -10.5923 -8.7914 -8.7742 -7.7611 -7.7413 -7.6315 -7.6233 -3.2489 -3.2453 -1.3103 -1.2661 0.0180 0.0432 0.5204 0.5804 1.0660 1.1984 1.7156 1.7550 1.8835 1.8890 2.8540 2.8663 3.0073 3.0139 4.0432 4.0507 4.1398 4.1412 4.5599 4.5629 4.6899 4.6942 4.8398 4.8463 4.8992 4.9071 5.1762 5.1811 5.3247 5.3296 5.3760 5.3829 10.5497 10.5505 12.5195 12.5204 13.1958 13.3307 13.3605 13.4179 13.7263 13.8639 13.9692 13.9773 k = 0.4206 0.4261 0.4687 ( 4398 PWs) bands (ev): -26.1037 -26.1037 -14.0737 -14.0719 -13.0784 -13.0491 -12.1666 -12.1292 -11.3936 -11.3839 -10.9471 -10.9290 -10.5850 -10.5796 -8.7904 -8.7717 -7.7587 -7.7371 -7.6336 -7.6247 -3.2284 -3.2247 -1.3398 -1.2920 0.0376 0.0670 0.5099 0.5736 1.0613 1.1998 1.7326 1.7699 1.9042 1.9087 2.7934 2.8055 2.9786 2.9850 4.0719 4.0786 4.1705 4.1715 4.5678 4.5707 4.6763 4.6805 4.8416 4.8475 4.8994 4.9073 5.1717 5.1768 5.3262 5.3311 5.3843 5.3908 10.5545 10.5553 12.5134 12.5143 13.1716 13.3307 13.3780 13.4153 13.7047 13.8450 13.9621 13.9674 k = 0.4127 0.4399 0.4687 ( 4394 PWs) bands (ev): -26.1036 -26.1036 -14.0639 -14.0618 -13.0865 -13.0546 -12.1793 -12.1389 -11.3873 -11.3764 -10.9640 -10.9452 -10.5726 -10.5678 -8.7893 -8.7692 -7.7562 -7.7329 -7.6357 -7.6261 -3.2067 -3.2032 -1.3700 -1.3188 0.0583 0.0921 0.4990 0.5658 1.0562 1.1992 1.7529 1.7870 1.9263 1.9300 2.7315 2.7434 2.9497 2.9560 4.1000 4.1057 4.2008 4.2015 4.5758 4.5784 4.6620 4.6663 4.8436 4.8488 4.8991 4.9070 5.1689 5.1745 5.3269 5.3317 5.3918 5.3980 10.5594 10.5602 12.5071 12.5081 13.1494 13.3227 13.3980 13.4243 13.6811 13.8233 13.9510 13.9562 k = 0.4048 0.4536 0.4687 ( 4398 PWs) bands (ev): -26.1036 -26.1036 -14.0537 -14.0514 -13.0950 -13.0607 -12.1916 -12.1484 -11.3808 -11.3686 -10.9802 -10.9607 -10.5613 -10.5571 -8.7882 -8.7669 -7.7536 -7.7287 -7.6378 -7.6276 -3.1842 -3.1809 -1.4004 -1.3462 0.0799 0.1183 0.4877 0.5572 1.0506 1.1968 1.7760 1.8061 1.9496 1.9527 2.6689 2.6803 2.9210 2.9273 4.1267 4.1315 4.2303 4.2311 4.5837 4.5857 4.6473 4.6517 4.8456 4.8503 4.8981 4.9062 5.1679 5.1740 5.3267 5.3313 5.3985 5.4042 10.5644 10.5653 12.5007 12.5018 13.1302 13.3113 13.4193 13.4408 13.6564 13.7991 13.9366 13.9438 k = 0.3968 0.4674 0.4687 ( 4394 PWs) bands (ev): -26.1036 -26.1036 -14.0434 -14.0407 -13.1039 -13.0674 -12.2031 -12.1575 -11.3740 -11.3606 -10.9958 -10.9755 -10.5510 -10.5474 -8.7871 -8.7646 -7.7509 -7.7246 -7.6398 -7.6291 -3.1614 -3.1583 -1.4305 -1.3736 0.1020 0.1452 0.4759 0.5477 1.0446 1.1930 1.8016 1.8272 1.9741 1.9767 2.6061 2.6169 2.8931 2.8994 4.1518 4.1556 4.2586 4.2601 4.5912 4.5921 4.6323 4.6371 4.8480 4.8522 4.8964 4.9047 5.1684 5.1753 5.3255 5.3299 5.4045 5.4097 10.5694 10.5703 12.4944 12.4955 13.1146 13.2999 13.4405 13.4615 13.6319 13.7726 13.9201 13.9299 k = 0.3889 0.4811 0.4687 ( 4398 PWs) bands (ev): -26.1036 -26.1036 -14.0331 -14.0301 -13.1131 -13.0745 -12.2137 -12.1660 -11.3673 -11.3525 -11.0105 -10.9894 -10.5420 -10.5389 -8.7861 -8.7626 -7.7482 -7.7206 -7.6418 -7.6306 -3.1387 -3.1360 -1.4597 -1.4003 0.1242 0.1724 0.4639 0.5374 1.0384 1.1883 1.8292 1.8499 1.9995 2.0020 2.5435 2.5537 2.8662 2.8726 4.1748 4.1777 4.2856 4.2882 4.5963 4.5981 4.6178 4.6234 4.8505 4.8544 4.8942 4.9027 5.1702 5.1780 5.3235 5.3276 5.4096 5.4143 10.5743 10.5753 12.4883 12.4894 13.1027 13.2902 13.4599 13.4844 13.6100 13.7444 13.9022 13.9148 k = 0.3810 0.4949 0.4687 ( 4406 PWs) bands (ev): -26.1036 -26.1036 -14.0232 -14.0198 -13.1222 -13.0818 -12.2232 -12.1737 -11.3608 -11.3446 -11.0242 -11.0021 -10.5341 -10.5316 -8.7851 -8.7607 -7.7457 -7.7169 -7.6437 -7.6320 -3.1167 -3.1145 -1.4873 -1.4256 0.1463 0.1993 0.4517 0.5264 1.0321 1.1830 1.8583 1.8739 2.0254 2.0284 2.4819 2.4912 2.8409 2.8473 4.1953 4.1977 4.3111 4.3150 4.5937 4.6038 4.6047 4.6149 4.8534 4.8570 4.8914 4.9002 5.1730 5.1818 5.3208 5.3246 5.4140 5.4181 10.5789 10.5799 12.4825 12.4837 13.0948 13.2827 13.4743 13.5083 13.5943 13.7153 13.8837 13.8989 k = 0.3730 0.5086 0.4687 ( 4412 PWs) bands (ev): -26.1036 -26.1036 -14.0138 -14.0101 -13.1311 -13.0891 -12.2314 -12.1803 -11.3547 -11.3370 -11.0365 -11.0134 -10.5274 -10.5254 -8.7842 -8.7591 -7.7434 -7.7136 -7.6453 -7.6332 -3.0961 -3.0943 -1.5127 -1.4490 0.1678 0.2251 0.4398 0.5148 1.0260 1.1777 1.8880 1.8988 2.0517 2.0556 2.4217 2.4300 2.8175 2.8240 4.2129 4.2152 4.3345 4.3402 4.5824 4.5912 4.6094 4.6149 4.8564 4.8600 4.8883 4.8976 5.1763 5.1860 5.3178 5.3211 5.4177 5.4211 10.5831 10.5842 12.4773 12.4784 13.0908 13.2773 13.4797 13.5319 13.5897 13.6861 13.8651 13.8831 k = 0.3651 0.5224 0.4687 ( 4408 PWs) bands (ev): -26.1036 -26.1036 -14.0054 -14.0014 -13.1393 -13.0960 -12.2381 -12.1859 -11.3491 -11.3301 -11.0474 -11.0232 -10.5220 -10.5204 -8.7834 -8.7577 -7.7414 -7.7107 -7.6467 -7.6343 -3.0776 -3.0763 -1.5350 -1.4697 0.1881 0.2488 0.4288 0.5028 1.0204 1.1727 1.9173 1.9243 2.0777 2.0831 2.3637 2.3711 2.7968 2.8032 4.2277 4.2302 4.3553 4.3630 4.5691 4.5788 4.6135 4.6169 4.8593 4.8632 4.8851 4.8952 5.1796 5.1902 5.3148 5.3177 5.4206 5.4234 10.5869 10.5880 12.4726 12.4738 13.0903 13.2735 13.4760 13.5534 13.5968 13.6584 13.8472 13.8684 k = 0.3571 0.5361 0.4687 ( 4404 PWs) bands (ev): -26.1036 -26.1036 -13.9982 -13.9939 -13.1464 -13.1022 -12.2434 -12.1902 -11.3444 -11.3242 -11.0563 -11.0312 -10.5178 -10.5166 -8.7827 -8.7566 -7.7398 -7.7084 -7.6478 -7.6351 -3.0618 -3.0610 -1.5536 -1.4869 0.2065 0.2688 0.4199 0.4907 1.0156 1.1685 1.9440 1.9508 2.1026 2.1105 2.3089 2.3158 2.7793 2.7857 4.2395 4.2422 4.3726 4.3825 4.5569 4.5683 4.6163 4.6185 4.8620 4.8665 4.8821 4.8931 5.1824 5.1938 5.3122 5.3147 5.4229 5.4250 10.5900 10.5912 12.4688 12.4699 13.0925 13.2706 13.4689 13.5698 13.6101 13.6352 13.8312 13.8556 k = 0.3492 0.5499 0.4687 ( 4392 PWs) bands (ev): -26.1036 -26.1036 -13.9926 -13.9881 -13.1521 -13.1071 -12.2472 -12.1934 -11.3409 -11.3196 -11.0630 -11.0371 -10.5148 -10.5140 -8.7822 -8.7558 -7.7385 -7.7067 -7.6487 -7.6357 -3.0497 -3.0493 -1.5677 -1.5000 0.2220 0.2833 0.4144 0.4795 1.0118 1.1652 1.9664 1.9769 2.1244 2.1372 2.2590 2.2671 2.7658 2.7720 4.2482 4.2512 4.3854 4.3976 4.5472 4.5605 4.6180 4.6193 4.8641 4.8696 4.8794 4.8917 5.1844 5.1964 5.3102 5.3124 5.4246 5.4260 10.5924 10.5936 12.4659 12.4669 13.0965 13.2679 13.4634 13.5753 13.6213 13.6248 13.8185 13.8461 k = 0.3413 0.5636 0.4687 ( 4388 PWs) bands (ev): -26.1036 -26.1036 -13.9890 -13.9844 -13.1558 -13.1104 -12.2494 -12.1952 -11.3386 -11.3166 -11.0672 -11.0408 -10.5130 -10.5125 -8.7819 -8.7554 -7.7378 -7.7057 -7.6491 -7.6360 -3.0420 -3.0418 -1.5765 -1.5083 0.2330 0.2909 0.4131 0.4706 1.0095 1.1632 1.9829 1.9981 2.1390 2.1626 2.2167 2.2317 2.7571 2.7632 4.2537 4.2568 4.3929 4.4068 4.5413 4.5562 4.6187 4.6194 4.8654 4.8723 4.8772 4.8910 5.1854 5.1978 5.3092 5.3111 5.4256 5.4265 10.5940 10.5952 12.4641 12.4651 13.1003 13.2656 13.4612 13.5695 13.6211 13.6339 13.8104 13.8406 k = 0.3333 0.5774 0.4687 ( 4404 PWs) bands (ev): -26.1036 -26.1036 -13.9878 -13.9830 -13.1571 -13.1116 -12.2501 -12.1958 -11.3378 -11.3156 -11.0686 -11.0420 -10.5124 -10.5120 -8.7818 -8.7552 -7.7375 -7.7053 -7.6493 -7.6361 -3.0393 -3.0392 -1.5796 -1.5111 0.2372 0.2928 0.4136 0.4669 1.0086 1.1625 1.9895 2.0072 2.1422 2.1838 2.1887 2.2197 2.7540 2.7600 4.2557 4.2587 4.3953 4.4097 4.5395 4.5550 4.6188 4.6193 4.8658 4.8735 4.8763 4.8908 5.1857 5.1982 5.3088 5.3107 5.4260 5.4266 10.5945 10.5957 12.4634 12.4644 13.1020 13.2646 13.4609 13.5653 13.6221 13.6373 13.8078 13.8390 k = 0.3333 0.5774 0.4687 ( 4404 PWs) bands (ev): -26.1036 -26.1036 -13.9878 -13.9830 -13.1571 -13.1116 -12.2501 -12.1958 -11.3378 -11.3156 -11.0686 -11.0420 -10.5124 -10.5120 -8.7818 -8.7552 -7.7375 -7.7053 -7.6493 -7.6361 -3.0393 -3.0392 -1.5796 -1.5111 0.2372 0.2928 0.4136 0.4669 1.0086 1.1625 1.9895 2.0072 2.1422 2.1838 2.1887 2.2197 2.7540 2.7600 4.2557 4.2587 4.3953 4.4097 4.5395 4.5550 4.6188 4.6193 4.8658 4.8735 4.8763 4.8908 5.1857 5.1982 5.3088 5.3107 5.4260 5.4266 10.5945 10.5957 12.4634 12.4644 13.1020 13.2646 13.4609 13.5653 13.6221 13.6373 13.8078 13.8390 k = 0.3254 0.5636 0.4687 ( 4400 PWs) bands (ev): -26.1036 -26.1036 -13.9891 -13.9845 -13.1557 -13.1102 -12.2494 -12.1952 -11.3386 -11.3167 -11.0672 -11.0408 -10.5130 -10.5125 -8.7819 -8.7554 -7.7378 -7.7057 -7.6491 -7.6360 -3.0422 -3.0419 -1.5764 -1.5081 0.2327 0.2915 0.4124 0.4708 1.0095 1.1632 1.9819 1.9966 2.1455 2.1725 2.2076 2.2265 2.7573 2.7634 4.2535 4.2567 4.3935 4.4075 4.5406 4.5555 4.6190 4.6196 4.8655 4.8728 4.8766 4.8908 5.1856 5.1980 5.3090 5.3109 5.4256 5.4265 10.5939 10.5951 12.4641 12.4651 13.0999 13.2656 13.4611 13.5701 13.6213 13.6343 13.8097 13.8399 k = 0.3175 0.5499 0.4687 ( 4396 PWs) bands (ev): -26.1036 -26.1036 -13.9933 -13.9888 -13.1511 -13.1060 -12.2474 -12.1935 -11.3410 -11.3197 -11.0629 -11.0371 -10.5146 -10.5139 -8.7823 -8.7559 -7.7385 -7.7066 -7.6488 -7.6358 -3.0510 -3.0504 -1.5667 -1.4990 0.2200 0.2874 0.4099 0.4809 1.0120 1.1650 1.9606 1.9692 2.1585 2.1751 2.2260 2.2386 2.7676 2.7742 4.2467 4.2502 4.3893 4.4025 4.5420 4.5556 4.6205 4.6210 4.8644 4.8719 4.8763 4.8906 5.1857 5.1977 5.3093 5.3114 5.4247 5.4262 10.5922 10.5933 12.4662 12.4673 13.0934 13.2672 13.4633 13.5794 13.6217 13.6289 13.8134 13.8411 k = 0.3095 0.5361 0.4687 ( 4404 PWs) bands (ev): -26.1036 -26.1036 -14.0005 -13.9963 -13.1430 -13.0986 -12.2440 -12.1906 -11.3448 -11.3246 -11.0560 -11.0310 -10.5172 -10.5162 -8.7828 -8.7567 -7.7397 -7.7081 -7.6483 -7.6356 -3.0660 -3.0649 -1.5504 -1.4837 0.2016 0.2789 0.4086 0.4938 1.0159 1.1679 1.9315 1.9348 2.1766 2.1883 2.2417 2.2509 2.7852 2.7926 4.2348 4.2390 4.3845 4.3972 4.5416 4.5535 4.6237 4.6240 4.8628 4.8713 4.8747 4.8899 5.1864 5.1981 5.3092 5.3117 5.4234 5.4254 10.5891 10.5903 12.4698 12.4710 13.0834 13.2670 13.4713 13.5791 13.6145 13.6454 13.8162 13.8406 k = 0.3016 0.5224 0.4687 ( 4408 PWs) bands (ev): -26.1036 -26.1036 -14.0108 -14.0069 -13.1315 -13.0879 -12.2395 -12.1867 -11.3498 -11.3310 -11.0468 -11.0229 -10.5207 -10.5194 -8.7836 -8.7578 -7.7413 -7.7100 -7.6478 -7.6355 -3.0871 -3.0853 -1.5276 -1.4622 0.1792 0.2654 0.4097 0.5071 1.0210 1.1712 1.8980 1.9009 2.1951 2.2066 2.2550 2.2622 2.8100 2.8186 4.2181 4.2230 4.3803 4.3929 4.5385 4.5487 4.6282 4.6285 4.8604 4.8710 4.8715 4.8887 5.1882 5.1994 5.3083 5.3113 5.4217 5.4242 10.5848 10.5859 12.4749 12.4763 13.0712 13.2629 13.4863 13.5691 13.6057 13.6793 13.8162 13.8375 k = 0.2937 0.5086 0.4687 ( 4412 PWs) bands (ev): -26.1036 -26.1036 -14.0241 -14.0206 -13.1163 -13.0737 -12.2340 -12.1819 -11.3560 -11.3387 -11.0355 -11.0128 -10.5249 -10.5233 -8.7847 -8.7593 -7.7432 -7.7123 -7.6474 -7.6355 -3.1141 -3.1115 -1.4987 -1.4349 0.1542 0.2474 0.4130 0.5199 1.0269 1.1746 1.8638 1.8699 2.2123 2.2257 2.2669 2.2731 2.8418 2.8516 4.1971 4.2025 4.3773 4.3901 4.5326 4.5414 4.6331 4.6335 4.8571 4.8668 4.8710 4.8874 5.1912 5.2019 5.3065 5.3099 5.4196 5.4226 10.5790 10.5801 12.4817 12.4832 13.0581 13.2547 13.5036 13.5554 13.6036 13.7191 13.8126 13.8334 k = 0.2857 0.4949 0.4687 ( 4412 PWs) bands (ev): -26.1036 -26.1036 -14.0402 -14.0372 -13.0977 -13.0562 -12.2275 -12.1762 -11.3631 -11.3473 -11.0226 -11.0011 -10.5297 -10.5279 -8.7860 -8.7611 -7.7454 -7.7150 -7.6472 -7.6358 -3.1466 -3.1432 -1.4641 -1.4021 0.1273 0.2260 0.4175 0.5318 1.0328 1.1774 1.8322 1.8410 2.2275 2.2432 2.2786 2.2844 2.8799 2.8909 4.1725 4.1782 4.3757 4.3888 4.5247 4.5324 4.6375 4.6379 4.8526 4.8608 4.8712 4.8860 5.1955 5.2057 5.3036 5.3074 5.4170 5.4204 10.5718 10.5728 12.4900 12.4918 13.0451 13.2437 13.5128 13.5403 13.6177 13.7536 13.8044 13.8374 k = 0.2778 0.4811 0.4687 ( 4412 PWs) bands (ev): -26.1036 -26.1036 -14.0590 -14.0564 -13.0757 -13.0353 -12.2202 -12.1698 -11.3709 -11.3566 -11.0083 -10.9880 -10.5352 -10.5331 -8.7876 -8.7633 -7.7479 -7.7178 -7.6471 -7.6364 -3.1843 -3.1800 -1.4245 -1.3644 0.0990 0.2021 0.4228 0.5426 1.0384 1.1790 1.8039 1.8149 2.2403 2.2584 2.2908 2.2965 2.9236 2.9357 4.1452 4.1510 4.3752 4.3887 4.5155 4.5223 4.6406 4.6410 4.8468 4.8535 4.8717 4.8850 5.2007 5.2106 5.2996 5.3038 5.4139 5.4176 10.5631 10.5641 12.4999 12.5019 13.0328 13.2312 13.5097 13.5248 13.6503 13.7656 13.7911 13.8669 k = 0.2698 0.4674 0.4687 ( 4406 PWs) bands (ev): -26.1037 -26.1037 -14.0801 -14.0780 -13.0506 -13.0113 -12.2122 -12.1627 -11.3792 -11.3664 -10.9929 -10.9737 -10.5411 -10.5388 -8.7894 -8.7657 -7.7506 -7.7209 -7.6474 -7.6373 -3.2266 -3.2215 -1.3803 -1.3223 0.0699 0.1764 0.4285 0.5525 1.0429 1.1787 1.7791 1.7917 2.2514 2.2724 2.3037 2.3087 2.9722 2.9851 4.1161 4.1220 4.3757 4.3895 4.5057 4.5117 4.6418 4.6421 4.8399 4.8453 4.8725 4.8844 5.2066 5.2164 5.2944 5.2992 5.4102 5.4141 10.5529 10.5540 12.5114 12.5136 13.0216 13.2183 13.4998 13.5095 13.6929 13.7597 13.7745 13.9168 k = 0.2619 0.4536 0.4687 ( 4414 PWs) bands (ev): -26.1037 -26.1037 -14.1033 -14.1016 -13.0226 -12.9845 -12.2035 -12.1551 -11.3878 -11.3764 -10.9767 -10.9585 -10.5473 -10.5448 -8.7915 -8.7684 -7.7534 -7.7241 -7.6481 -7.6386 -3.2731 -3.2672 -1.3323 -1.2763 0.0403 0.1496 0.4344 0.5616 1.0458 1.1763 1.7577 1.7712 2.2615 2.2868 2.3165 2.3203 3.0249 3.0386 4.0859 4.0920 4.3766 4.3907 4.4957 4.5013 4.6407 4.6410 4.8321 4.8363 4.8733 4.8840 5.2127 5.2227 5.2882 5.2937 5.4057 5.4098 10.5413 10.5423 12.5242 12.5267 13.0116 13.2054 13.4872 13.4948 13.7243 13.7499 13.7689 13.9740 k = 0.2540 0.4399 0.4687 ( 4406 PWs) bands (ev): -26.1037 -26.1037 -14.1283 -14.1269 -12.9919 -12.9549 -12.1944 -12.1471 -11.3968 -11.3865 -10.9597 -10.9424 -10.5538 -10.5511 -8.7938 -8.7714 -7.7564 -7.7274 -7.6492 -7.6404 -3.3233 -3.3167 -1.2810 -1.2271 0.0104 0.1222 0.4404 0.5702 1.0468 1.1714 1.7392 1.7531 2.2708 2.3028 2.3274 2.3328 3.0810 3.0953 4.0555 4.0619 4.3776 4.3918 4.4865 4.4916 4.6370 4.6372 4.8236 4.8268 4.8743 4.8839 5.2182 5.2286 5.2817 5.2881 5.4005 5.4046 10.5282 10.5292 12.5384 12.5411 13.0029 13.1928 13.4739 13.4809 13.7149 13.7301 13.8115 14.0324 k = 0.2460 0.4261 0.4687 ( 4396 PWs) bands (ev): -26.1037 -26.1037 -14.1547 -14.1536 -12.9589 -12.9230 -12.1849 -12.1386 -11.4061 -11.3966 -10.9422 -10.9258 -10.5605 -10.5575 -8.7964 -8.7747 -7.7594 -7.7308 -7.6508 -7.6426 -3.3766 -3.3694 -1.2270 -1.1751 -0.0193 0.0945 0.4467 0.5784 1.0456 1.1640 1.7231 1.7370 2.2782 2.3184 2.3374 2.3489 3.1401 3.1549 4.0256 4.0324 4.3778 4.3920 4.4789 4.4836 4.6306 4.6308 4.8146 4.8170 4.8752 4.8838 5.2219 5.2329 5.2758 5.2832 5.3946 5.3987 10.5136 10.5146 12.5537 12.5567 12.9954 13.1807 13.4607 13.4680 13.6947 13.7076 13.8647 14.0882 k = 0.2381 0.4124 0.4687 ( 4402 PWs) bands (ev): -26.1038 -26.1038 -14.1822 -14.1814 -12.9238 -12.8890 -12.1751 -12.1299 -11.4155 -11.4065 -10.9243 -10.9087 -10.5671 -10.5640 -8.7993 -8.7783 -7.7625 -7.7342 -7.6530 -7.6452 -3.4328 -3.4250 -1.1709 -1.1209 -0.0486 0.0668 0.4533 0.5866 1.0422 1.1543 1.7087 1.7222 2.2819 2.3248 2.3565 2.3695 3.2017 3.2167 3.9969 4.0043 4.3767 4.3902 4.4740 4.4780 4.6215 4.6217 4.8053 4.8069 4.8759 4.8836 5.2220 5.2331 5.2727 5.2806 5.3879 5.3920 10.4975 10.4985 12.5700 12.5732 12.9891 13.1689 13.4479 13.4563 13.6719 13.6841 13.9173 14.1366 k = 0.2302 0.3986 0.4687 ( 4406 PWs) bands (ev): -26.1038 -26.1038 -14.2107 -14.2100 -12.8869 -12.8531 -12.1650 -12.1209 -11.4251 -11.4163 -10.9062 -10.8913 -10.5737 -10.5703 -8.8024 -8.7821 -7.7656 -7.7377 -7.6557 -7.6482 -3.4913 -3.4831 -1.1130 -1.0650 -0.0771 0.0397 0.4602 0.5948 1.0367 1.1424 1.6952 1.7083 2.2803 2.3218 2.3851 2.3959 3.2652 3.2805 3.9702 3.9783 4.3733 4.3859 4.4727 4.4758 4.6097 4.6100 4.7958 4.7967 4.8762 4.8830 5.2174 5.2272 5.2741 5.2813 5.3807 5.3847 10.4801 10.4810 12.5871 12.5906 12.9836 13.1573 13.4357 13.4458 13.6478 13.6603 13.9655 14.1722 k = 0.2222 0.3849 0.4687 ( 4416 PWs) bands (ev): -26.1039 -26.1039 -14.2397 -14.2391 -12.8484 -12.8155 -12.1548 -12.1118 -11.4347 -11.4258 -10.8879 -10.8736 -10.5800 -10.5765 -8.8058 -8.7862 -7.7688 -7.7411 -7.6590 -7.6517 -3.5517 -3.5431 -1.0538 -1.0077 -0.1046 0.0132 0.4675 0.6033 1.0294 1.1289 1.6820 1.6948 2.2729 2.3127 2.4200 2.4287 3.3303 3.3457 3.9461 3.9549 4.3675 4.3787 4.4750 4.4775 4.5954 4.5960 4.7861 4.7864 4.8760 4.8819 5.2081 5.2163 5.2789 5.2851 5.3731 5.3770 10.4612 10.4621 12.6048 12.6085 12.9788 13.1457 13.4242 13.4366 13.6233 13.6364 14.0058 14.1909 k = 0.2143 0.3712 0.4687 ( 4418 PWs) bands (ev): -26.1039 -26.1039 -14.2692 -14.2686 -12.8085 -12.7766 -12.1446 -12.1027 -11.4445 -11.4351 -10.8695 -10.8558 -10.5860 -10.5825 -8.8094 -8.7905 -7.7719 -7.7446 -7.6629 -7.6555 -3.6138 -3.6049 -0.9938 -0.9494 -0.1308 -0.0122 0.4752 0.6121 1.0203 1.1141 1.6688 1.6814 2.2595 2.2978 2.4605 2.4675 3.3967 3.4122 3.9251 3.9346 4.3595 4.3693 4.4805 4.4827 4.5787 4.5796 4.7759 4.7762 4.8750 4.8801 5.1952 5.2021 5.2851 5.2907 5.3652 5.3692 10.4409 10.4418 12.6229 12.6268 12.9742 13.1337 13.4135 13.4288 13.5987 13.6129 14.0347 14.1918 k = 0.2063 0.3574 0.4687 ( 4422 PWs) bands (ev): -26.1040 -26.1040 -14.2987 -14.2982 -12.7675 -12.7365 -12.1343 -12.0935 -11.4543 -11.4442 -10.8512 -10.8381 -10.5917 -10.5880 -8.8133 -8.7950 -7.7749 -7.7480 -7.6673 -7.6597 -3.6771 -3.6681 -0.9332 -0.8905 -0.1555 -0.0364 0.4833 0.6214 1.0099 1.0983 1.6553 1.6677 2.2403 2.2774 2.5060 2.5120 3.4640 3.4795 3.9076 3.9179 4.3497 4.3582 4.4885 4.4910 4.5599 4.5613 4.7653 4.7661 4.8731 4.8774 5.1796 5.1855 5.2916 5.2971 5.3573 5.3615 10.4193 10.4201 12.6413 12.6454 12.9697 13.1212 13.4037 13.4223 13.5745 13.5901 14.0496 14.1773 k = 0.1984 0.3437 0.4687 ( 4438 PWs) bands (ev): -26.1040 -26.1040 -14.3283 -14.3277 -12.7256 -12.6955 -12.1241 -12.0844 -11.4641 -11.4531 -10.8330 -10.8204 -10.5968 -10.5931 -8.8174 -8.7997 -7.7779 -7.7515 -7.6723 -7.6643 -3.7415 -3.7322 -0.8724 -0.8312 -0.1783 -0.0591 0.4918 0.6311 0.9984 1.0818 1.6413 1.6536 2.2156 2.2516 2.5564 2.5616 3.5317 3.5474 3.8939 3.9049 4.3388 4.3463 4.4986 4.5011 4.5394 4.5417 4.7546 4.7558 4.8701 4.8736 5.1617 5.1669 5.2978 5.3036 5.3498 5.3542 10.3963 10.3971 12.6596 12.6638 12.9647 13.1079 13.3946 13.4172 13.5509 13.5682 14.0496 14.1506 k = 0.1905 0.3299 0.4687 ( 4430 PWs) bands (ev): -26.1041 -26.1041 -14.3576 -14.3570 -12.6830 -12.6537 -12.1139 -12.0753 -11.4739 -11.4620 -10.8150 -10.8029 -10.6013 -10.5977 -8.8217 -8.8046 -7.7809 -7.7548 -7.6778 -7.6693 -3.8064 -3.7971 -0.8117 -0.7719 -0.1992 -0.0802 0.5007 0.6413 0.9861 1.0650 1.6267 1.6392 2.1857 2.2206 2.6110 2.6157 3.5996 3.6154 3.8842 3.8958 4.3272 4.3338 4.5069 4.5099 4.5192 4.5253 4.7437 4.7452 4.8658 4.8686 5.1420 5.1466 5.3034 5.3095 5.3429 5.3479 10.3720 10.3728 12.6777 12.6821 12.9591 13.0935 13.3864 13.4133 13.5283 13.5475 14.0357 14.1148 k = 0.1825 0.3162 0.4687 ( 4430 PWs) bands (ev): -26.1041 -26.1041 -14.3865 -14.3860 -12.6399 -12.6115 -12.1039 -12.0663 -11.4836 -11.4707 -10.7973 -10.7857 -10.6052 -10.6017 -8.8263 -8.8097 -7.7837 -7.7581 -7.6837 -7.6747 -3.8717 -3.8623 -0.7514 -0.7128 -0.2178 -0.0993 0.5099 0.6519 0.9731 1.0480 1.6116 1.6243 2.1510 2.1847 2.6694 2.6739 3.6670 3.6832 3.8786 3.8906 4.3153 4.3211 4.4914 4.4926 4.5262 4.5317 4.7325 4.7343 4.8600 4.8624 5.1205 5.1246 5.3076 5.3144 5.3374 5.3429 10.3464 10.3472 12.6955 12.7000 12.9523 13.0778 13.3791 13.4108 13.5067 13.5284 14.0103 14.0721 k = 0.1746 0.3024 0.4687 ( 4428 PWs) bands (ev): -26.1042 -26.1042 -14.4150 -14.4144 -12.5965 -12.5689 -12.0940 -12.0575 -11.4933 -11.4795 -10.7799 -10.7687 -10.6084 -10.6050 -8.8310 -8.8149 -7.7865 -7.7614 -7.6900 -7.6803 -3.9371 -3.9277 -0.6918 -0.6541 -0.2339 -0.1166 0.5193 0.6629 0.9597 1.0310 1.5961 1.6090 2.1120 2.1444 2.7311 2.7355 3.7332 3.7503 3.8772 3.8896 4.3034 4.3085 4.4673 4.4685 4.5410 4.5461 4.7209 4.7229 4.8526 4.8548 5.0975 5.1011 5.3101 5.3170 5.3344 5.3400 10.3197 10.3203 12.7127 12.7174 12.9441 13.0607 13.3726 13.4093 13.4865 13.5111 13.9759 14.0245 k = 0.1667 0.2887 0.4687 ( 4436 PWs) bands (ev): -26.1042 -26.1042 -14.4428 -14.4422 -12.5530 -12.5263 -12.0842 -12.0489 -11.5030 -11.4882 -10.7629 -10.7522 -10.6109 -10.6077 -8.8358 -8.8202 -7.7891 -7.7646 -7.6966 -7.6863 -4.0022 -3.9928 -0.6332 -0.5960 -0.2473 -0.1316 0.5288 0.6742 0.9461 1.0141 1.5803 1.5935 2.0694 2.1002 2.7957 2.8000 3.7962 3.8150 3.8813 3.8938 4.2917 4.2962 4.4417 4.4432 4.5572 4.5623 4.7090 4.7112 4.8436 4.8457 5.0731 5.0763 5.3108 5.3163 5.3349 5.3393 10.2917 10.2923 12.7293 12.7340 12.9342 13.0420 13.3668 13.4090 13.4678 13.4957 13.9350 13.9737 k = 0.1587 0.2749 0.4687 ( 4436 PWs) bands (ev): -26.1043 -26.1043 -14.4698 -14.4693 -12.5096 -12.4838 -12.0747 -12.0404 -11.5126 -11.4969 -10.7464 -10.7362 -10.6126 -10.6096 -8.8409 -8.8257 -7.7916 -7.7677 -7.7035 -7.6926 -4.0669 -4.0575 -0.5760 -0.5386 -0.2577 -0.1445 0.5381 0.6856 0.9324 0.9975 1.5642 1.5777 2.0237 2.0527 2.8628 2.8670 3.8483 3.8680 3.9002 3.9091 4.2808 4.2845 4.4155 4.4173 4.5743 4.5794 4.6967 4.6989 4.8329 4.8353 5.0476 5.0502 5.3101 5.3139 5.3375 5.3403 10.2626 10.2631 12.7450 12.7498 12.9223 13.0216 13.3619 13.4095 13.4505 13.4823 13.8899 13.9209 k = 0.1508 0.2612 0.4687 ( 4428 PWs) bands (ev): -26.1044 -26.1044 -14.4960 -14.4955 -12.4665 -12.4416 -12.0653 -12.0321 -11.5221 -11.5057 -10.7304 -10.7206 -10.6135 -10.6109 -8.8460 -8.8312 -7.7939 -7.7708 -7.7105 -7.6991 -4.1307 -4.1214 -0.5208 -0.4822 -0.2644 -0.1552 0.5472 0.6969 0.9188 0.9813 1.5481 1.5618 1.9755 2.0026 2.9317 2.9359 3.8749 3.8893 3.9484 3.9532 4.2709 4.2739 4.3893 4.3912 4.5921 4.5974 4.6839 4.6862 4.8208 4.8234 5.0210 5.0231 5.3090 5.3115 5.3404 5.3421 10.2325 10.2330 12.7598 12.7646 12.9084 12.9995 13.3578 13.4110 13.4349 13.4710 13.8423 13.8675 k = 0.1429 0.2474 0.4687 ( 4424 PWs) bands (ev): -26.1044 -26.1044 -14.5213 -14.5209 -12.4239 -12.4000 -12.0561 -12.0241 -11.5316 -11.5146 -10.7150 -10.7057 -10.6137 -10.6114 -8.8512 -8.8368 -7.7961 -7.7737 -7.7176 -7.7058 -4.1934 -4.1843 -0.4686 -0.4270 -0.2667 -0.1635 0.5558 0.7080 0.9054 0.9655 1.5319 1.5459 1.9257 1.9506 3.0022 3.0064 3.8891 3.9021 4.0018 4.0104 4.2630 4.2651 4.3636 4.3658 4.6104 4.6158 4.6705 4.6731 4.8073 4.8103 4.9934 4.9951 5.3082 5.3097 5.3430 5.3439 10.2015 10.2020 12.7736 12.7784 12.8924 12.9757 13.3543 13.4131 13.4208 13.4618 13.7938 13.8145 k = 0.1349 0.2337 0.4687 ( 4430 PWs) bands (ev): -26.1045 -26.1045 -14.5456 -14.5452 -12.3820 -12.3591 -12.0470 -12.0162 -11.5410 -11.5234 -10.7002 -10.6914 -10.6132 -10.6113 -8.8564 -8.8425 -7.7981 -7.7767 -7.7248 -7.7126 -4.2548 -4.2458 -0.4212 -0.3732 -0.2629 -0.1693 0.5637 0.7185 0.8923 0.9502 1.5158 1.5301 1.8748 1.8973 3.0738 3.0780 3.9022 3.9149 4.0525 4.0629 4.2579 4.2591 4.3400 4.3424 4.6284 4.6342 4.6566 4.6607 4.7928 4.7961 4.9650 4.9663 5.3078 5.3088 5.3448 5.3456 10.1698 10.1702 12.7862 12.7911 12.8743 12.9503 13.3515 13.4079 13.4161 13.4545 13.7458 13.7627 k = 0.1270 0.2199 0.4687 ( 4418 PWs) bands (ev): -26.1045 -26.1045 -14.5689 -14.5684 -12.3411 -12.3192 -12.0381 -12.0085 -11.5504 -11.5324 -10.6861 -10.6778 -10.6120 -10.6105 -8.8617 -8.8482 -7.8000 -7.7795 -7.7319 -7.7195 -4.3145 -4.3057 -0.3816 -0.3210 -0.2501 -0.1726 0.5707 0.7281 0.8797 0.9355 1.4999 1.5144 1.8236 1.8434 3.1462 3.1504 3.9163 3.9286 4.0940 4.1049 4.2555 4.2561 4.3230 4.3256 4.6366 4.6418 4.6517 4.6591 4.7776 4.7811 4.9359 4.9369 5.3080 5.3088 5.3460 5.3469 10.1376 10.1379 12.7976 12.8025 12.8544 12.9233 13.3492 13.3965 13.4194 13.4489 13.6992 13.7131 k = 0.1190 0.2062 0.4687 ( 4414 PWs) bands (ev): -26.1046 -26.1046 -14.5909 -14.5905 -12.3013 -12.2805 -12.0294 -12.0011 -11.5595 -11.5413 -10.6727 -10.6649 -10.6103 -10.6090 -8.8669 -8.8538 -7.8017 -7.7823 -7.7389 -7.7265 -4.3723 -4.3638 -0.3527 -0.2710 -0.2258 -0.1729 0.5765 0.7362 0.8679 0.9213 1.4842 1.4990 1.7727 1.7896 3.2189 3.2231 3.9315 3.9435 4.1207 4.1309 4.2490 4.2496 4.3239 4.3267 4.6251 4.6268 4.6698 4.6757 4.7620 4.7658 4.9062 4.9070 5.3087 5.3096 5.3465 5.3477 10.1050 10.1053 12.8068 12.8124 12.8341 12.8951 13.3472 13.3862 13.4231 13.4450 13.6552 13.6663 k = 0.1111 0.1925 0.4687 ( 4414 PWs) bands (ev): -26.1046 -26.1046 -14.6118 -14.6115 -12.2629 -12.2433 -12.0207 -11.9938 -11.5686 -11.5503 -10.6601 -10.6527 -10.6082 -10.6069 -8.8721 -8.8595 -7.8032 -7.7850 -7.7458 -7.7334 -4.4279 -4.4197 -0.3333 -0.2255 -0.1915 -0.1677 0.5810 0.7423 0.8570 0.9078 1.4689 1.4839 1.7229 1.7367 3.2917 3.2959 3.9475 3.9592 4.1322 4.1408 4.2324 4.2334 4.3481 4.3520 4.6101 4.6114 4.6884 4.6946 4.7465 4.7508 4.8759 4.8768 5.3099 5.3110 5.3463 5.3478 10.0723 10.0726 12.8027 12.8203 12.8251 12.8658 13.3453 13.3765 13.4270 13.4423 13.6146 13.6233 k = 0.1032 0.1787 0.4687 ( 4422 PWs) bands (ev): -26.1047 -26.1047 -14.6315 -14.6311 -12.2261 -12.2078 -12.0120 -11.9868 -11.5774 -11.5591 -10.6482 -10.6414 -10.6057 -10.6043 -8.8771 -8.8650 -7.8045 -7.7876 -7.7524 -7.7402 -4.4811 -4.4731 -0.3193 -0.1941 -0.1540 -0.1458 0.5839 0.7457 0.8476 0.8949 1.4540 1.4692 1.6747 1.6854 3.3642 3.3684 3.9643 3.9756 4.1335 4.1405 4.2109 4.2121 4.3848 4.3907 4.5942 4.5962 4.7054 4.7134 4.7316 4.7381 4.8454 4.8466 5.3114 5.3128 5.3456 5.3473 10.0398 10.0400 12.7805 12.8277 12.8281 12.8390 13.3431 13.3672 13.4311 13.4406 13.5781 13.5846 k = 0.0952 0.1650 0.4687 ( 4418 PWs) bands (ev): -26.1047 -26.1047 -14.6498 -14.6495 -12.1911 -12.1742 -12.0033 -11.9799 -11.5859 -11.5679 -10.6373 -10.6308 -10.6029 -10.6011 -8.8820 -8.8704 -7.8056 -7.7902 -7.7587 -7.7468 -4.5315 -4.5239 -0.3071 -0.1814 -0.1136 -0.1060 0.5853 0.7457 0.8397 0.8826 1.4396 1.4550 1.6287 1.6363 3.4362 3.4403 3.9814 3.9924 4.1294 4.1349 4.1882 4.1896 4.4239 4.4323 4.5782 4.5826 4.7111 4.7176 4.7317 4.7371 4.8150 4.8169 5.3131 5.3147 5.3443 5.3462 10.0077 10.0080 12.7554 12.8031 12.8351 12.8400 13.3402 13.3578 13.4350 13.4396 13.5463 13.5512 k = 0.0873 0.1512 0.4687 ( 4428 PWs) bands (ev): -26.1048 -26.1048 -14.6668 -14.6666 -12.1583 -12.1429 -11.9946 -11.9732 -11.5941 -11.5766 -10.6271 -10.6211 -10.5999 -10.5977 -8.8866 -8.8757 -7.8065 -7.7927 -7.7646 -7.7532 -4.5789 -4.5717 -0.2951 -0.1739 -0.0706 -0.0641 0.5851 0.7420 0.8335 0.8707 1.4256 1.4413 1.5856 1.5904 3.5073 3.5113 3.9986 4.0093 4.1227 4.1269 4.1658 4.1673 4.4572 4.4701 4.5639 4.5735 4.7021 4.7062 4.7482 4.7505 4.7857 4.7901 5.3148 5.3166 5.3425 5.3445 9.9764 9.9767 12.7295 12.7725 12.8415 12.8457 13.3361 13.3478 13.4376 13.4396 13.5197 13.5239 k = 0.0794 0.1375 0.4687 ( 4432 PWs) bands (ev): -26.1048 -26.1048 -14.6825 -14.6823 -12.1278 -12.1140 -11.9857 -11.9666 -11.6018 -11.5850 -10.6179 -10.6123 -10.5967 -10.5941 -8.8910 -8.8808 -7.8073 -7.7951 -7.7702 -7.7593 -4.6231 -4.6164 -0.2824 -0.1671 -0.0281 -0.0231 0.5835 0.7348 0.8284 0.8591 1.4122 1.4281 1.5457 1.5483 3.5773 3.5813 4.0156 4.0261 4.1149 4.1178 4.1443 4.1460 4.4758 4.4943 4.5570 4.5738 4.6915 4.6969 4.7499 4.7571 4.7693 4.7800 5.3164 5.3182 5.3404 5.3425 9.9463 9.9465 12.7037 12.7421 12.8471 12.8509 13.3302 13.3370 13.4367 13.4421 13.4990 13.5036 k = 0.0714 0.1237 0.4687 ( 4428 PWs) bands (ev): -26.1049 -26.1049 -14.6968 -14.6965 -12.1000 -12.0880 -11.9766 -11.9602 -11.6091 -11.5932 -10.6096 -10.6044 -10.5933 -10.5904 -8.8951 -8.8856 -7.8078 -7.7975 -7.7752 -7.7651 -4.6639 -4.6576 -0.2689 -0.1601 0.0126 0.0162 0.5808 0.7245 0.8237 0.8476 1.3994 1.4154 1.5092 1.5112 3.6461 3.6499 4.0318 4.0422 4.1070 4.1086 4.1242 4.1260 4.4755 4.4941 4.5641 4.5833 4.6799 4.6876 4.7369 4.7400 4.7853 4.7919 5.3175 5.3194 5.3380 5.3400 9.9176 9.9178 12.6785 12.7125 12.8519 12.8554 13.3223 13.3253 13.4347 13.4436 13.4848 13.4899 k = 0.0635 0.1100 0.4687 ( 4432 PWs) bands (ev): -26.1049 -26.1049 -14.7096 -14.7094 -12.0752 -12.0649 -11.9672 -11.9537 -11.6158 -11.6009 -10.6022 -10.5976 -10.5897 -10.5867 -8.8988 -8.8902 -7.8082 -7.7997 -7.7798 -7.7705 -4.7009 -4.6952 -0.2546 -0.1532 0.0510 0.0534 0.5772 0.7119 0.8187 0.8363 1.3871 1.4032 1.4766 1.4794 3.7132 3.7169 4.0466 4.0573 4.0987 4.1009 4.1058 4.1077 4.4631 4.4786 4.5732 4.5913 4.6624 4.6711 4.7373 4.7402 4.8014 4.8068 5.3182 5.3200 5.3354 5.3374 9.8908 9.8910 12.6544 12.6842 12.8560 12.8592 13.3124 13.3136 13.4320 13.4432 13.4771 13.4821 k = 0.0556 0.0962 0.4687 ( 4436 PWs) bands (ev): -26.1050 -26.1050 -14.7210 -14.7208 -12.0537 -12.0450 -11.9576 -11.9472 -11.6218 -11.6082 -10.5959 -10.5920 -10.5858 -10.5831 -8.9022 -8.8944 -7.8085 -7.8018 -7.7839 -7.7754 -4.7341 -4.7290 -0.2396 -0.1466 0.0866 0.0880 0.5733 0.6975 0.8129 0.8251 1.3754 1.3914 1.4492 1.4525 3.7786 3.7822 4.0580 4.0698 4.0889 4.0906 4.0920 4.0972 4.4445 4.4570 4.5755 4.5923 4.6395 4.6487 4.7534 4.7566 4.8166 4.8212 5.3183 5.3199 5.3330 5.3348 9.8661 9.8663 12.6321 12.6578 12.8595 12.8624 13.3007 13.3025 13.4296 13.4411 13.4746 13.4786 k = 0.0476 0.0825 0.4687 ( 4440 PWs) bands (ev): -26.1050 -26.1050 -14.7309 -14.7307 -12.0357 -12.0284 -11.9479 -11.9406 -11.6271 -11.6150 -10.5905 -10.5876 -10.5817 -10.5796 -8.9051 -8.8983 -7.8086 -7.8037 -7.7874 -7.7798 -4.7632 -4.7587 -0.2242 -0.1408 0.1187 0.1200 0.5698 0.6818 0.8063 0.8141 1.3644 1.3798 1.4273 1.4304 3.8420 3.8455 4.0630 4.0715 4.0745 4.0796 4.0911 4.0993 4.4217 4.4316 4.5723 4.5878 4.6161 4.6260 4.7769 4.7801 4.8304 4.8344 5.3177 5.3190 5.3308 5.3322 9.8439 9.8441 12.6119 12.6336 12.8625 12.8649 13.2894 13.2917 13.4279 13.4386 13.4748 13.4775 k = 0.0397 0.0687 0.4687 ( 4434 PWs) bands (ev): -26.1050 -26.1050 -14.7393 -14.7391 -12.0213 -12.0148 -11.9386 -11.9340 -11.6315 -11.6211 -10.5861 -10.5843 -10.5777 -10.5764 -8.9075 -8.9017 -7.8087 -7.8054 -7.7904 -7.7836 -4.7880 -4.7842 -0.2087 -0.1362 0.1469 0.1488 0.5671 0.6652 0.7991 0.8037 1.3543 1.3687 1.4107 1.4131 3.9031 3.9065 4.0596 4.0609 4.0645 4.0722 4.1003 4.1067 4.3953 4.4027 4.5663 4.5801 4.5956 4.6056 4.8019 4.8047 4.8428 4.8461 5.3166 5.3175 5.3289 5.3298 9.8246 9.8247 12.5943 12.6122 12.8649 12.8669 13.2792 13.2816 13.4272 13.4364 13.4763 13.4779 k = 0.0317 0.0550 0.4687 ( 4438 PWs) bands (ev): -26.1050 -26.1050 -14.7462 -14.7461 -12.0102 -12.0044 -11.9301 -11.9277 -11.6350 -11.6265 -10.5826 -10.5817 -10.5742 -10.5736 -8.9094 -8.9047 -7.8087 -7.8068 -7.7927 -7.7870 -4.8084 -4.8054 -0.1935 -0.1333 0.1711 0.1734 0.5660 0.6483 0.7919 0.7942 1.3458 1.3583 1.3986 1.4000 3.9616 3.9648 4.0503 4.0507 4.0600 4.0660 4.1103 4.1154 4.3651 4.3705 4.5595 4.5697 4.5809 4.5887 4.8250 4.8273 4.8535 4.8561 5.3151 5.3157 5.3272 5.3277 9.8083 9.8084 12.5796 12.5939 12.8668 12.8685 13.2706 13.2727 13.4271 13.4346 13.4779 13.4787 k = 0.0238 0.0412 0.4687 ( 4446 PWs) bands (ev): -26.1051 -26.1051 -14.7515 -14.7515 -12.0018 -11.9970 -11.9230 -11.9219 -11.6376 -11.6310 -10.5801 -10.5797 -10.5715 -10.5712 -8.9108 -8.9072 -7.8087 -7.8079 -7.7944 -7.7898 -4.8244 -4.8221 -0.1792 -0.1326 0.1909 0.1933 0.5672 0.6314 0.7852 0.7862 1.3392 1.3492 1.3900 1.3906 4.0162 4.0195 4.0422 4.0427 4.0567 4.0615 4.1190 4.1228 4.3317 4.3353 4.5529 4.5583 4.5720 4.5758 4.8442 4.8458 4.8626 4.8644 5.3136 5.3139 5.3258 5.3260 9.7954 9.7955 12.5683 12.5789 12.8683 12.8695 13.2637 13.2654 13.4276 13.4333 13.4795 13.4798 k = 0.0159 0.0275 0.4687 ( 4450 PWs) bands (ev): -26.1051 -26.1051 -14.7554 -14.7553 -11.9957 -11.9923 -11.9177 -11.9173 -11.6391 -11.6347 -10.5784 -10.5782 -10.5694 -10.5694 -8.9116 -8.9092 -7.8089 -7.8086 -7.7953 -7.7920 -4.8357 -4.8342 -0.1661 -0.1343 0.2058 0.2078 0.5711 0.6153 0.7798 0.7801 1.3349 1.3418 1.3843 1.3845 4.0362 4.0363 4.0520 4.0523 4.0719 4.0732 4.1257 4.1284 4.2963 4.2988 4.5473 4.5497 4.5659 4.5672 4.8580 4.8588 4.8703 4.8711 5.3122 5.3124 5.3246 5.3247 9.7860 9.7861 12.5605 12.5675 12.8694 12.8702 13.2588 13.2600 13.4283 13.4321 13.4806 13.4807 k = 0.0079 0.0137 0.4687 ( 4450 PWs) bands (ev): -26.1051 -26.1051 -14.7577 -14.7576 -11.9918 -11.9900 -11.9144 -11.9143 -11.6396 -11.6373 -10.5774 -10.5773 -10.5682 -10.5682 -8.9118 -8.9106 -7.8090 -7.8090 -7.7955 -7.7938 -4.8424 -4.8416 -0.1548 -0.1386 0.2153 0.2164 0.5780 0.6006 0.7763 0.7763 1.3331 1.3366 1.3809 1.3810 4.0327 4.0328 4.0513 4.0521 4.1122 4.1135 4.1302 4.1316 4.2635 4.2650 4.5435 4.5445 4.5622 4.5623 4.8656 4.8658 4.8760 4.8762 5.3113 5.3114 5.3238 5.3238 9.7804 9.7804 12.5565 12.5600 12.8701 12.8706 13.2560 13.2566 13.4292 13.4311 13.4814 13.4814 k = 0.0000 0.0000 0.4687 ( 4450 PWs) bands (ev): -26.1051 -26.1051 -14.7584 -14.7584 -11.9899 -11.9899 -11.9133 -11.9133 -11.6390 -11.6390 -10.5770 -10.5770 -10.5678 -10.5678 -8.9115 -8.9115 -7.8091 -7.8091 -7.7949 -7.7949 -4.8444 -4.8444 -0.1455 -0.1455 0.2189 0.2189 0.5880 0.5880 0.7750 0.7750 1.3337 1.3337 1.3799 1.3799 4.0316 4.0316 4.0512 4.0512 4.1314 4.1314 4.1329 4.1329 4.2477 4.2477 4.5425 4.5425 4.5608 4.5608 4.8678 4.8678 4.8782 4.8782 5.3111 5.3111 5.3235 5.3235 9.7785 9.7785 12.5563 12.5563 12.8705 12.8705 13.2553 13.2553 13.4302 13.4302 13.4816 13.4816 k = 0.5000 0.2887 0.4687 ( 4392 PWs) bands (ev): -26.1037 -26.1037 -14.1265 -14.1265 -13.0330 -13.0330 -12.0751 -12.0751 -11.4250 -11.4250 -10.7817 -10.7817 -10.7194 -10.7194 -8.7923 -8.7923 -7.7672 -7.7672 -7.6190 -7.6190 -3.3436 -3.3436 -1.1493 -1.1493 -0.0728 -0.0728 0.5898 0.5898 1.1182 1.1182 1.6917 1.6917 1.7882 1.7882 3.1695 3.1695 3.2115 3.2115 3.8624 3.8624 3.9513 3.9513 4.5193 4.5193 4.7603 4.7603 4.8285 4.8285 4.9041 4.9041 5.2573 5.2573 5.2904 5.2904 5.3085 5.3085 10.5270 10.5270 12.5508 12.5508 13.2524 13.2524 13.4944 13.4944 13.8565 13.8565 13.9779 13.9779 k = 0.5000 0.2887 0.4531 ( 4396 PWs) bands (ev): -26.1037 -26.1037 -14.1266 -14.1265 -13.0331 -13.0328 -12.0754 -12.0753 -11.4249 -11.4243 -10.7837 -10.7811 -10.7195 -10.7177 -8.7929 -8.7917 -7.7679 -7.7664 -7.6199 -7.6187 -3.3442 -3.3433 -1.1494 -1.1489 -0.0729 -0.0718 0.5888 0.5911 1.1171 1.1190 1.6922 1.6925 1.7874 1.7877 3.1687 3.1690 3.2113 3.2117 3.8618 3.8624 3.9516 3.9524 4.5203 4.5209 4.7543 4.7581 4.8292 4.8347 4.9027 4.9046 5.2500 5.2524 5.2930 5.2979 5.3076 5.3102 10.5268 10.5271 12.5484 12.5489 13.2494 13.2562 13.4922 13.4986 13.8524 13.8596 13.9760 13.9824 k = 0.5000 0.2887 0.4375 ( 4404 PWs) bands (ev): -26.1037 -26.1037 -14.1269 -14.1267 -13.0330 -13.0325 -12.0761 -12.0759 -11.4241 -11.4229 -10.7866 -10.7816 -10.7179 -10.7147 -8.7937 -8.7913 -7.7686 -7.7655 -7.6215 -7.6190 -3.3452 -3.3435 -1.1492 -1.1482 -0.0721 -0.0699 0.5879 0.5925 1.1157 1.1195 1.6941 1.6948 1.7852 1.7858 3.1667 3.1672 3.2112 3.2119 3.8605 3.8618 3.9534 3.9549 4.5238 4.5249 4.7430 4.7489 4.8352 4.8448 4.9006 4.9046 5.2369 5.2400 5.2983 5.3059 5.3106 5.3152 10.5265 10.5269 12.5419 12.5429 13.2471 13.2606 13.4920 13.5049 13.8479 13.8613 13.9771 13.9891 k = 0.5000 0.2887 0.4218 ( 4404 PWs) bands (ev): -26.1037 -26.1037 -14.1275 -14.1271 -13.0328 -13.0321 -12.0772 -12.0769 -11.4227 -11.4208 -10.7903 -10.7834 -10.7148 -10.7105 -8.7946 -8.7910 -7.7691 -7.7646 -7.6236 -7.6199 -3.3467 -3.3441 -1.1487 -1.1472 -0.0705 -0.0672 0.5873 0.5942 1.1139 1.1196 1.6973 1.6984 1.7818 1.7827 3.1635 3.1643 3.2111 3.2122 3.8587 3.8606 3.9564 3.9586 4.5298 4.5315 4.7293 4.7360 4.8423 4.8551 4.8988 4.9051 5.2220 5.2254 5.2996 5.3046 5.3235 5.3253 10.5260 10.5267 12.5316 12.5330 13.2452 13.2656 13.4936 13.5131 13.8434 13.8615 13.9814 13.9976 k = 0.5000 0.2887 0.4062 ( 4408 PWs) bands (ev): -26.1037 -26.1037 -14.1281 -14.1277 -13.0326 -13.0317 -12.0787 -12.0783 -11.4206 -11.4181 -10.7946 -10.7862 -10.7104 -10.7054 -8.7956 -8.7909 -7.7696 -7.7636 -7.6263 -7.6215 -3.3484 -3.3450 -1.1479 -1.1459 -0.0681 -0.0637 0.5868 0.5960 1.1118 1.1193 1.7016 1.7033 1.7771 1.7785 3.1592 3.1601 3.2110 3.2125 3.8564 3.8589 3.9606 3.9634 4.5380 4.5405 4.7147 4.7216 4.8468 4.8612 4.8999 4.9077 5.2067 5.2102 5.2985 5.3027 5.3365 5.3372 10.5253 10.5262 12.5180 12.5197 13.2432 13.2706 13.4971 13.5232 13.8393 13.8603 13.9887 14.0075 k = 0.5000 0.2887 0.3906 ( 4412 PWs) bands (ev): -26.1038 -26.1038 -14.1290 -14.1284 -13.0322 -13.0311 -12.0806 -12.0801 -11.4178 -11.4147 -10.7994 -10.7898 -10.7048 -10.6995 -8.7968 -8.7910 -7.7701 -7.7626 -7.6295 -7.6236 -3.3506 -3.3464 -1.1468 -1.1443 -0.0648 -0.0595 0.5866 0.5979 1.1095 1.1187 1.7069 1.7096 1.7713 1.7735 3.1538 3.1548 3.2111 3.2128 3.8537 3.8566 3.9658 3.9691 4.5484 4.5517 4.7000 4.7070 4.8463 4.8599 4.9064 4.9133 5.1913 5.1949 5.2963 5.3004 5.3489 5.3494 10.5245 10.5256 12.5014 12.5035 13.2409 13.2753 13.5023 13.5349 13.8360 13.8581 13.9986 14.0186 k = 0.5000 0.2887 0.3750 ( 4408 PWs) bands (ev): -26.1038 -26.1038 -14.1300 -14.1293 -13.0317 -13.0304 -12.0829 -12.0822 -11.4144 -11.4107 -10.8045 -10.7939 -10.6983 -10.6929 -8.7981 -8.7912 -7.7705 -7.7616 -7.6330 -7.6263 -3.3530 -3.3481 -1.1454 -1.1425 -0.0608 -0.0545 0.5867 0.5999 1.1068 1.1176 1.7126 1.7173 1.7644 1.7685 3.1475 3.1486 3.2112 3.2133 3.8505 3.8538 3.9717 3.9755 4.5605 4.5648 4.6860 4.6929 4.8410 4.8526 4.9165 4.9215 5.1760 5.1799 5.2938 5.2979 5.3607 5.3611 10.5235 10.5249 12.4826 12.4849 13.2379 13.2792 13.5091 13.5481 13.8336 13.8553 14.0105 14.0308 k = 0.5000 0.2887 0.3593 ( 4408 PWs) bands (ev): -26.1038 -26.1038 -14.1311 -14.1304 -13.0311 -13.0296 -12.0854 -12.0847 -11.4104 -11.4061 -10.8099 -10.7985 -10.6910 -10.6858 -8.7996 -8.7916 -7.7709 -7.7607 -7.6370 -7.6294 -3.3558 -3.3502 -1.1438 -1.1405 -0.0560 -0.0488 0.5869 0.6021 1.1037 1.1160 1.7176 1.7262 1.7566 1.7645 3.1404 3.1415 3.2115 3.2138 3.8469 3.8506 3.9781 3.9823 4.5738 4.5796 4.6731 4.6798 4.8318 4.8418 4.9275 4.9309 5.1612 5.1652 5.2910 5.2953 5.3716 5.3722 10.5224 10.5239 12.4619 12.4644 13.2340 13.2818 13.5176 13.5625 13.8325 13.8522 14.0240 14.0438 k = 0.5000 0.2887 0.3437 ( 4408 PWs) bands (ev): -26.1038 -26.1038 -14.1324 -14.1316 -13.0304 -13.0287 -12.0883 -12.0875 -11.4059 -11.4010 -10.8155 -10.8035 -10.6830 -10.6781 -8.8012 -8.7923 -7.7712 -7.7597 -7.6411 -7.6329 -3.3588 -3.3526 -1.1419 -1.1383 -0.0505 -0.0425 0.5874 0.6044 1.1004 1.1140 1.7201 1.7363 1.7482 1.7634 3.1325 3.1337 3.2118 3.2144 3.8429 3.8470 3.9848 3.9894 4.5869 4.5950 4.6624 4.6690 4.8197 4.8285 4.9380 4.9403 5.1470 5.1511 5.2883 5.2928 5.3818 5.3824 10.5211 10.5228 12.4401 12.4428 13.2289 13.2827 13.5275 13.5777 13.8327 13.8492 14.0386 14.0575 k = 0.5000 0.2887 0.3281 ( 4400 PWs) bands (ev): -26.1038 -26.1038 -14.1338 -14.1329 -13.0296 -13.0278 -12.0914 -12.0905 -11.4009 -11.3955 -10.8212 -10.8087 -10.6746 -10.6699 -8.8030 -8.7932 -7.7717 -7.7589 -7.6454 -7.6367 -3.3621 -3.3554 -1.1397 -1.1358 -0.0444 -0.0357 0.5881 0.6067 1.0967 1.1115 1.7183 1.7389 1.7479 1.7673 3.1241 3.1252 3.2121 3.2151 3.8386 3.8430 3.9918 3.9966 4.5973 4.6087 4.6559 4.6632 4.8053 4.8133 4.9471 4.9489 5.1336 5.1378 5.2858 5.2906 5.3911 5.3919 10.5197 10.5215 12.4175 12.4203 13.2225 13.2816 13.5389 13.5934 13.8345 13.8466 14.0539 14.0718 k = 0.5000 0.2887 0.3125 ( 4400 PWs) bands (ev): -26.1038 -26.1038 -14.1353 -14.1344 -13.0287 -13.0268 -12.0947 -12.0938 -11.3955 -11.3896 -10.8270 -10.8140 -10.6657 -10.6614 -8.8050 -8.7944 -7.7722 -7.7582 -7.6497 -7.6407 -3.3657 -3.3585 -1.1374 -1.1332 -0.0378 -0.0284 0.5890 0.6091 1.0926 1.1085 1.7128 1.7295 1.7603 1.7755 3.1151 3.1162 3.2126 3.2157 3.8341 3.8386 3.9987 4.0039 4.6013 4.6150 4.6586 4.6663 4.7893 4.7966 4.9545 4.9562 5.1211 5.1254 5.2839 5.2888 5.3995 5.4004 10.5181 10.5200 12.3946 12.3975 13.2149 13.2783 13.5516 13.6092 13.8371 13.8455 14.0694 14.0865 k = 0.5000 0.2887 0.2968 ( 4402 PWs) bands (ev): -26.1038 -26.1038 -14.1369 -14.1359 -13.0277 -13.0257 -12.0983 -12.0973 -11.3898 -11.3833 -10.8329 -10.8196 -10.6564 -10.6526 -8.8072 -8.7959 -7.7728 -7.7578 -7.6540 -7.6448 -3.3694 -3.3618 -1.1349 -1.1304 -0.0306 -0.0207 0.5902 0.6115 1.0882 1.1050 1.7052 1.7197 1.7738 1.7867 3.1058 3.1068 3.2130 3.2164 3.8293 3.8340 4.0056 4.0110 4.5987 4.6118 4.6722 4.6785 4.7718 4.7786 4.9598 4.9619 5.1097 5.1140 5.2826 5.2877 5.4071 5.4082 10.5163 10.5184 12.3717 12.3747 13.2060 13.2729 13.5654 13.6247 13.8380 13.8487 14.0847 14.1013 k = 0.5000 0.2887 0.2812 ( 4398 PWs) bands (ev): -26.1038 -26.1038 -14.1385 -14.1375 -13.0267 -13.0246 -12.1019 -12.1009 -11.3837 -11.3768 -10.8388 -10.8252 -10.6469 -10.6435 -8.8096 -8.7976 -7.7737 -7.7576 -7.6579 -7.6488 -3.3732 -3.3653 -1.1322 -1.1276 -0.0231 -0.0127 0.5915 0.6139 1.0834 1.1010 1.6965 1.7099 1.7882 1.7997 3.0961 3.0971 3.2135 3.2170 3.8243 3.8292 4.0124 4.0179 4.5926 4.6047 4.6906 4.6960 4.7535 4.7597 4.9630 4.9656 5.0995 5.1038 5.2820 5.2873 5.4140 5.4152 10.5144 10.5166 12.3493 12.3522 13.1961 13.2653 13.5802 13.6397 13.8371 13.8568 14.0996 14.1160 k = 0.5000 0.2887 0.2656 ( 4388 PWs) bands (ev): -26.1039 -26.1039 -14.1402 -14.1391 -13.0256 -13.0234 -12.1056 -12.1046 -11.3775 -11.3702 -10.8446 -10.8308 -10.6372 -10.6343 -8.8121 -8.7996 -7.7748 -7.7579 -7.6616 -7.6527 -3.3772 -3.3691 -1.1294 -1.1246 -0.0152 -0.0045 0.5931 0.6163 1.0784 1.0965 1.6874 1.7001 1.8034 1.8140 3.0861 3.0872 3.2140 3.2176 3.8192 3.8241 4.0189 4.0246 4.5856 4.5969 4.7087 4.7155 4.7360 4.7408 4.9639 4.9673 5.0907 5.0949 5.2823 5.2877 5.4201 5.4216 10.5124 10.5146 12.3274 12.3304 13.1853 13.2557 13.5956 13.6540 13.8362 13.8684 14.1138 14.1302 k = 0.5000 0.2887 0.2500 ( 4400 PWs) bands (ev): -26.1039 -26.1039 -14.1419 -14.1409 -13.0245 -13.0223 -12.1094 -12.1084 -11.3711 -11.3634 -10.8504 -10.8364 -10.6274 -10.6249 -8.8148 -8.8020 -7.7762 -7.7586 -7.6648 -7.6562 -3.3812 -3.3730 -1.1265 -1.1217 -0.0071 0.0039 0.5949 0.6186 1.0730 1.0915 1.6784 1.6906 1.8193 1.8292 3.0760 3.0770 3.2145 3.2182 3.8141 3.8190 4.0253 4.0310 4.5786 4.5892 4.7075 4.7166 4.7386 4.7399 4.9625 4.9668 5.0833 5.0874 5.2834 5.2888 5.4256 5.4273 10.5102 10.5124 12.3063 12.3093 13.1738 13.2444 13.6112 13.6673 13.8361 13.8830 14.1270 14.1436 k = 0.5000 0.2887 0.2344 ( 4394 PWs) bands (ev): -26.1039 -26.1039 -14.1437 -14.1426 -13.0233 -13.0211 -12.1131 -12.1121 -11.3646 -11.3567 -10.8559 -10.8419 -10.6176 -10.6155 -8.8176 -8.8045 -7.7781 -7.7599 -7.6674 -7.6593 -3.3853 -3.3770 -1.1235 -1.1187 0.0012 0.0123 0.5968 0.6209 1.0674 1.0861 1.6695 1.6814 1.8358 1.8451 3.0657 3.0668 3.2150 3.2187 3.8089 3.8138 4.0315 4.0372 4.5720 4.5820 4.6889 4.6967 4.7577 4.7601 4.9591 4.9643 5.0774 5.0814 5.2852 5.2906 5.4306 5.4324 10.5079 10.5102 12.2863 12.2892 13.1617 13.2315 13.6264 13.6796 13.8371 13.9007 14.1389 14.1557 k = 0.5000 0.2887 0.2187 ( 4398 PWs) bands (ev): -26.1039 -26.1039 -14.1454 -14.1443 -13.0221 -13.0199 -12.1169 -12.1159 -11.3581 -11.3500 -10.8613 -10.8474 -10.6079 -10.6062 -8.8205 -8.8073 -7.7803 -7.7619 -7.6693 -7.6618 -3.3893 -3.3811 -1.1205 -1.1157 0.0095 0.0206 0.5989 0.6231 1.0616 1.0803 1.6611 1.6726 1.8526 1.8614 3.0554 3.0565 3.2154 3.2191 3.8038 3.8086 4.0375 4.0433 4.5657 4.5751 4.6687 4.6760 4.7776 4.7811 4.9539 4.9601 5.0730 5.0769 5.2875 5.2929 5.4352 5.4372 10.5055 10.5078 12.2674 12.2703 13.1493 13.2176 13.6407 13.6911 13.8400 13.9212 14.1495 14.1664 k = 0.5000 0.2887 0.2031 ( 4394 PWs) bands (ev): -26.1039 -26.1039 -14.1471 -14.1460 -13.0209 -13.0187 -12.1205 -12.1196 -11.3517 -11.3435 -10.8664 -10.8527 -10.5984 -10.5970 -8.8235 -8.8103 -7.7828 -7.7644 -7.6707 -7.6637 -3.3933 -3.3852 -1.1175 -1.1128 0.0179 0.0288 0.6011 0.6252 1.0557 1.0742 1.6531 1.6642 1.8696 1.8779 3.0451 3.0462 3.2158 3.2195 3.7988 3.8035 4.0434 4.0491 4.5595 4.5683 4.6488 4.6559 4.7968 4.8012 4.9472 4.9545 5.0700 5.0738 5.2902 5.2954 5.4396 5.4417 10.5031 10.5053 12.2497 12.2526 13.1368 13.2027 13.6533 13.7015 13.8453 13.9444 14.1586 14.1753 k = 0.5000 0.2887 0.1875 ( 4394 PWs) bands (ev): -26.1039 -26.1039 -14.1487 -14.1477 -13.0197 -13.0176 -12.1241 -12.1232 -11.3455 -11.3372 -10.8712 -10.8578 -10.5891 -10.5880 -8.8265 -8.8135 -7.7857 -7.7675 -7.6714 -7.6650 -3.3972 -3.3893 -1.1145 -1.1099 0.0261 0.0367 0.6034 0.6271 1.0498 1.0679 1.6458 1.6565 1.8867 1.8945 3.0348 3.0360 3.2162 3.2197 3.7940 3.7986 4.0492 4.0549 4.5528 4.5607 4.6305 4.6373 4.8144 4.8200 4.9396 4.9481 5.0684 5.0719 5.2930 5.2981 5.4437 5.4460 10.5007 10.5028 12.2333 12.2361 13.1244 13.1873 13.6640 13.7107 13.8539 13.9698 14.1662 14.1824 k = 0.5000 0.2887 0.1719 ( 4388 PWs) bands (ev): -26.1040 -26.1040 -14.1503 -14.1493 -13.0185 -13.0165 -12.1275 -12.1266 -11.3394 -11.3312 -10.8756 -10.8626 -10.5802 -10.5794 -8.8294 -8.8168 -7.7888 -7.7711 -7.6716 -7.6658 -3.4009 -3.3934 -1.1116 -1.1072 0.0341 0.0444 0.6059 0.6289 1.0439 1.0615 1.6391 1.6493 1.9037 1.9110 3.0247 3.0259 3.2165 3.2199 3.7895 3.7938 4.0550 4.0606 4.5448 4.5512 4.6151 4.6213 4.8298 4.8368 4.9318 4.9416 5.0678 5.0711 5.2958 5.3008 5.4478 5.4501 10.4982 10.5003 12.2183 12.2210 13.1124 13.1717 13.6727 13.7181 13.8663 13.9970 14.1723 14.1877 k = 0.5000 0.2887 0.1562 ( 4388 PWs) bands (ev): -26.1040 -26.1040 -14.1518 -14.1509 -13.0174 -13.0155 -12.1307 -12.1299 -11.3336 -11.3256 -10.8797 -10.8672 -10.5718 -10.5711 -8.8322 -8.8202 -7.7920 -7.7750 -7.6713 -7.6660 -3.4044 -3.3973 -1.1088 -1.1046 0.0418 0.0516 0.6084 0.6304 1.0382 1.0551 1.6331 1.6427 1.9202 1.9270 3.0148 3.0161 3.2168 3.2200 3.7852 3.7893 4.0608 4.0662 4.5345 4.5390 4.6036 4.6091 4.8421 4.8505 4.9250 4.9361 5.0681 5.0710 5.2984 5.3032 5.4519 5.4542 10.4958 10.4978 12.2047 12.2072 13.1009 13.1561 13.6797 13.7234 13.8826 14.0255 14.1770 14.1914 k = 0.5000 0.2887 0.1406 ( 4394 PWs) bands (ev): -26.1040 -26.1040 -14.1532 -14.1524 -13.0163 -13.0145 -12.1337 -12.1329 -11.3281 -11.3204 -10.8833 -10.8716 -10.5639 -10.5633 -8.8350 -8.8235 -7.7951 -7.7793 -7.6706 -7.6658 -3.4077 -3.4010 -1.1061 -1.1022 0.0491 0.0583 0.6109 0.6318 1.0328 1.0487 1.6278 1.6368 1.9362 1.9425 3.0053 3.0066 3.2170 3.2200 3.7812 3.7850 4.0666 4.0718 4.5215 4.5240 4.5963 4.6012 4.8502 4.8596 4.9210 4.9329 5.0690 5.0716 5.3009 5.3054 5.4560 5.4583 10.4935 10.4953 12.1925 12.1948 13.0901 13.1409 13.6854 13.7267 13.9025 14.0546 14.1803 14.1939 k = 0.5000 0.2887 0.1250 ( 4394 PWs) bands (ev): -26.1040 -26.1040 -14.1545 -14.1537 -13.0152 -13.0136 -12.1365 -12.1358 -11.3229 -11.3157 -10.8865 -10.8756 -10.5566 -10.5561 -8.8375 -8.8269 -7.7982 -7.7836 -7.6697 -7.6654 -3.4107 -3.4046 -1.1036 -1.1000 0.0560 0.0645 0.6135 0.6329 1.0277 1.0424 1.6232 1.6314 1.9514 1.9571 2.9963 2.9975 3.2172 3.2200 3.7777 3.7811 4.0724 4.0773 4.5064 4.5075 4.5923 4.5969 4.8534 4.8623 4.9220 4.9331 5.0702 5.0724 5.3030 5.3071 5.4600 5.4623 10.4913 10.4930 12.1816 12.1838 13.0803 13.1262 13.6901 13.7282 13.9255 14.0833 14.1824 14.1958 k = 0.5000 0.2887 0.1094 ( 4400 PWs) bands (ev): -26.1040 -26.1040 -14.1557 -14.1550 -13.0142 -13.0128 -12.1390 -12.1383 -11.3182 -11.3116 -10.8892 -10.8793 -10.5499 -10.5495 -8.8397 -8.8301 -7.8011 -7.7878 -7.6685 -7.6647 -3.4134 -3.4079 -1.1013 -1.0981 0.0624 0.0700 0.6161 0.6337 1.0231 1.0365 1.6193 1.6267 1.9656 1.9707 2.9879 2.9890 3.2174 3.2199 3.7745 3.7776 4.0781 4.0827 4.4901 4.4908 4.5908 4.5951 4.8521 4.8592 4.9276 4.9366 5.0715 5.0733 5.3048 5.3086 5.4640 5.4661 10.4893 10.4907 12.1721 12.1741 13.0716 13.1123 13.6940 13.7284 13.9507 14.1099 14.1834 14.1979 k = 0.5000 0.2887 0.0937 ( 4400 PWs) bands (ev): -26.1040 -26.1040 -14.1567 -14.1561 -13.0134 -13.0121 -12.1412 -12.1406 -11.3140 -11.3080 -10.8914 -10.8826 -10.5440 -10.5436 -8.8417 -8.8331 -7.8036 -7.7920 -7.6673 -7.6640 -3.4157 -3.4109 -1.0992 -1.0963 0.0681 0.0748 0.6186 0.6342 1.0191 1.0310 1.6160 1.6225 1.9786 1.9830 2.9802 2.9813 3.2175 3.2197 3.7718 3.7744 4.0838 4.0879 4.4740 4.4749 4.5909 4.5950 4.8476 4.8529 4.9355 4.9423 5.0726 5.0741 5.3064 5.3097 5.4679 5.4698 10.4874 10.4887 12.1640 12.1658 13.0641 13.0995 13.6975 13.7275 13.9775 14.1323 14.1835 14.2010 k = 0.5000 0.2887 0.0781 ( 4418 PWs) bands (ev): -26.1041 -26.1041 -14.1576 -14.1571 -13.0126 -13.0115 -12.1431 -12.1426 -11.3102 -11.3051 -10.8931 -10.8856 -10.5389 -10.5386 -8.8433 -8.8360 -7.8057 -7.7958 -7.6661 -7.6633 -3.4177 -3.4136 -1.0973 -1.0949 0.0732 0.0789 0.6210 0.6344 1.0157 1.0259 1.6134 1.6190 1.9901 1.9938 2.9734 2.9744 3.2177 3.2195 3.7694 3.7717 4.0892 4.0928 4.4590 4.4601 4.5920 4.5957 4.8417 4.8455 4.9438 4.9488 5.0735 5.0746 5.3077 5.3105 5.4714 5.4731 10.4858 10.4869 12.1572 12.1587 13.0581 13.0878 13.7006 13.7260 14.0051 14.1478 14.1830 14.2052 k = 0.5000 0.2887 0.0625 ( 4402 PWs) bands (ev): -26.1041 -26.1041 -14.1583 -14.1579 -13.0119 -13.0110 -12.1446 -12.1442 -11.3070 -11.3028 -10.8944 -10.8883 -10.5347 -10.5344 -8.8445 -8.8385 -7.8073 -7.7993 -7.6649 -7.6627 -3.4192 -3.4159 -1.0957 -1.0937 0.0775 0.0822 0.6234 0.6343 1.0130 1.0214 1.6115 1.6160 1.9998 2.0029 2.9676 2.9684 3.2178 3.2193 3.7676 3.7694 4.0941 4.0972 4.4459 4.4470 4.5937 4.5968 4.8355 4.8383 4.9515 4.9551 5.0740 5.0749 5.3087 5.3110 5.4746 5.4760 10.4844 10.4854 12.1517 12.1529 13.0535 13.0775 13.7034 13.7240 14.0330 14.1560 14.1824 14.2081 k = 0.5000 0.2887 0.0469 ( 4406 PWs) bands (ev): -26.1041 -26.1041 -14.1589 -14.1586 -13.0113 -13.0106 -12.1458 -12.1455 -11.3043 -11.3011 -10.8952 -10.8905 -10.5313 -10.5310 -8.8453 -8.8407 -7.8084 -7.8023 -7.6639 -7.6622 -3.4204 -3.4179 -1.0944 -1.0929 0.0811 0.0847 0.6256 0.6339 1.0112 1.0176 1.6101 1.6135 2.0078 2.0101 2.9630 2.9637 3.2179 3.2191 3.7662 3.7676 4.0984 4.1008 4.4351 4.4361 4.5956 4.5981 4.8300 4.8320 4.9580 4.9605 5.0743 5.0749 5.3096 5.3114 5.4772 5.4783 10.4834 10.4841 12.1475 12.1484 13.0505 13.0686 13.7062 13.7217 14.0604 14.1579 14.1822 14.2068 k = 0.5000 0.2887 0.0312 ( 4410 PWs) bands (ev): -26.1041 -26.1041 -14.1593 -14.1590 -13.0109 -13.0104 -12.1467 -12.1465 -11.3022 -11.3000 -10.8955 -10.8923 -10.5288 -10.5287 -8.8457 -8.8426 -7.8089 -7.8048 -7.6630 -7.6619 -3.4211 -3.4194 -1.0933 -1.0923 0.0839 0.0863 0.6276 0.6332 1.0101 1.0145 1.6093 1.6116 2.0137 2.0152 2.9597 2.9601 3.2181 3.2189 3.7652 3.7662 4.1018 4.1035 4.4271 4.4279 4.5973 4.5990 4.8258 4.8270 4.9631 4.9646 5.0743 5.0747 5.3103 5.3115 5.4793 5.4800 10.4827 10.4831 12.1446 12.1452 13.0492 13.0613 13.7089 13.7193 14.0865 14.1546 14.1830 14.2012 k = 0.5000 0.2887 0.0156 ( 4410 PWs) bands (ev): -26.1041 -26.1041 -14.1595 -14.1594 -13.0106 -13.0103 -12.1472 -12.1471 -11.3007 -11.2996 -10.8954 -10.8938 -10.5273 -10.5272 -8.8456 -8.8440 -7.8088 -7.8068 -7.6624 -7.6618 -3.4213 -3.4205 -1.0926 -1.0921 0.0858 0.0870 0.6294 0.6322 1.0100 1.0121 1.6091 1.6102 2.0174 2.0182 2.9577 2.9579 3.2183 3.2187 3.7648 3.7653 4.1041 4.1050 4.4223 4.4227 4.5987 4.5995 4.8232 4.8238 4.9664 4.9671 5.0743 5.0745 5.3109 5.3114 5.4806 5.4809 10.4823 10.4825 12.1429 12.1432 13.0497 13.0557 13.7115 13.7167 14.1103 14.1456 14.1849 14.1942 k = 0.5000 0.2887-0.0000 ( 4412 PWs) bands (ev): -26.1041 -26.1041 -14.1595 -14.1595 -13.0104 -13.0104 -12.1473 -12.1473 -11.2999 -11.2999 -10.8948 -10.8948 -10.5268 -10.5268 -8.8450 -8.8450 -7.8081 -7.8081 -7.6620 -7.6620 -3.4211 -3.4211 -1.0922 -1.0922 0.0868 0.0868 0.6309 0.6309 1.0106 1.0106 1.6094 1.6094 2.0189 2.0189 2.9571 2.9571 3.2185 3.2185 3.7648 3.7648 4.1052 4.1052 4.4208 4.4208 4.5994 4.5994 4.8225 4.8225 4.9677 4.9677 5.0743 5.0743 5.3112 5.3112 5.4812 5.4812 10.4822 10.4822 12.1424 12.1424 13.0518 13.0518 13.7141 13.7141 14.1306 14.1306 14.1886 14.1886 k = 0.3333 0.5774-0.0000 ( 4374 PWs) bands (ev): -26.1039 -26.1039 -14.0201 -14.0178 -13.2024 -13.1623 -12.2177 -12.1623 -11.2199 -11.2186 -10.9259 -10.9253 -10.5605 -10.5598 -8.8574 -8.8341 -7.8320 -7.8003 -7.6701 -7.6617 -3.0200 -3.0177 -1.5964 -1.5212 0.2669 0.3092 0.4528 0.5110 1.0988 1.2805 2.0341 2.0455 2.2426 2.2570 2.2642 2.2679 2.6560 2.6590 4.2575 4.2606 4.4169 4.4183 4.4845 4.4872 4.4878 4.4954 4.7367 4.7419 4.8428 4.8457 5.1847 5.1927 5.2082 5.2190 5.4392 5.4393 10.4989 10.5001 12.1843 12.2033 12.9708 13.0588 13.1256 13.2622 13.8433 13.8952 14.3146 14.3384 k = 0.3333 0.5774 0.0156 ( 4365 PWs) bands (ev): -26.1039 -26.1039 -14.0206 -14.0184 -13.2029 -13.1630 -12.2223 -12.1671 -11.2160 -11.2157 -10.9235 -10.9216 -10.5485 -10.5477 -8.8656 -8.8414 -7.8383 -7.8047 -7.6789 -7.6698 -3.0152 -3.0120 -1.5940 -1.5189 0.2742 0.3149 0.4628 0.5218 1.1112 1.2948 2.0369 2.0502 2.2433 2.2592 2.2642 2.2660 2.6577 2.6610 4.2502 4.2530 4.4296 4.4312 4.4645 4.4675 4.4998 4.5082 4.7145 4.7205 4.8168 4.8189 5.1771 5.1858 5.1972 5.2074 5.4478 5.4478 10.4939 10.4949 12.1681 12.1876 12.9965 13.0743 13.1568 13.2987 13.8411 13.8932 14.3235 14.3457 k = 0.3333 0.5774 0.0312 ( 4380 PWs) bands (ev): -26.1039 -26.1039 -14.0209 -14.0188 -13.2032 -13.1635 -12.2270 -12.1720 -11.2134 -11.2129 -10.9216 -10.9188 -10.5363 -10.5355 -8.8733 -8.8482 -7.8440 -7.8086 -7.6875 -7.6777 -3.0106 -3.0065 -1.5915 -1.5165 0.2812 0.3205 0.4726 0.5323 1.1228 1.3082 2.0395 2.0543 2.2432 2.2613 2.2639 2.2644 2.6608 2.6645 4.2415 4.2438 4.4404 4.4439 4.4458 4.4506 4.5130 4.5215 4.6931 4.6998 4.7912 4.7927 5.1694 5.1791 5.1865 5.1958 5.4565 5.4565 10.4893 10.4902 12.1537 12.1735 13.0207 13.0902 13.1900 13.3353 13.8402 13.8926 14.3284 14.3483 k = 0.3333 0.5774 0.0469 ( 4380 PWs) bands (ev): -26.1039 -26.1039 -14.0211 -14.0190 -13.2032 -13.1636 -12.2317 -12.1768 -11.2117 -11.2105 -10.9205 -10.9168 -10.5240 -10.5233 -8.8805 -8.8544 -7.8490 -7.8118 -7.6958 -7.6853 -3.0061 -3.0013 -1.5890 -1.5141 0.2878 0.3258 0.4819 0.5424 1.1337 1.3205 2.0417 2.0579 2.2422 2.2613 2.2633 2.2647 2.6653 2.6694 4.2315 4.2334 4.4289 4.4297 4.4564 4.4564 4.5266 4.5351 4.6727 4.6801 4.7665 4.7675 5.1614 5.1729 5.1766 5.1842 5.4651 5.4652 10.4853 10.4862 12.1412 12.1611 13.0434 13.1062 13.2246 13.3717 13.8406 13.8933 14.3293 14.3463 k = 0.3333 0.5774 0.0625 ( 4380 PWs) bands (ev): -26.1039 -26.1039 -14.0210 -14.0190 -13.2030 -13.1635 -12.2364 -12.1817 -11.2106 -11.2089 -10.9201 -10.9158 -10.5118 -10.5112 -8.8870 -8.8600 -7.8534 -7.8144 -7.7038 -7.6925 -3.0019 -2.9964 -1.5864 -1.5117 0.2940 0.3308 0.4908 0.5519 1.1435 1.3316 2.0435 2.0607 2.2404 2.2585 2.2652 2.2652 2.6712 2.6756 4.2203 4.2216 4.4141 4.4148 4.4679 4.4682 4.5403 4.5489 4.6537 4.6615 4.7431 4.7437 5.1528 5.1673 5.1680 5.1727 5.4737 5.4738 10.4820 10.4827 12.1306 12.1506 13.0648 13.1222 13.2599 13.4074 13.8424 13.8953 14.3263 14.3399 k = 0.3333 0.5774 0.0781 ( 4380 PWs) bands (ev): -26.1038 -26.1038 -14.0208 -14.0188 -13.2026 -13.1631 -12.2410 -12.1865 -11.2101 -11.2081 -10.9203 -10.9157 -10.4999 -10.4993 -8.8928 -8.8649 -7.8569 -7.8163 -7.7113 -7.6993 -2.9981 -2.9918 -1.5839 -1.5093 0.2997 0.3354 0.4990 0.5607 1.1523 1.3413 2.0449 2.0629 2.2379 2.2555 2.2657 2.2671 2.6782 2.6831 4.2082 4.2090 4.4014 4.4016 4.4788 4.4791 4.5538 4.5625 4.6364 4.6444 4.7213 4.7217 5.1435 5.1609 5.1616 5.1623 5.4819 5.4821 10.4793 10.4800 12.1220 12.1419 13.0849 13.1379 13.2953 13.4422 13.8454 13.8987 14.3194 14.3294 k = 0.3333 0.5774 0.0937 ( 4380 PWs) bands (ev): -26.1038 -26.1038 -14.0204 -14.0184 -13.2019 -13.1624 -12.2455 -12.1911 -11.2102 -11.2080 -10.9213 -10.9165 -10.4883 -10.4878 -8.8979 -8.8691 -7.8597 -7.8175 -7.7183 -7.7055 -2.9945 -2.9876 -1.5815 -1.5071 0.3048 0.3397 0.5065 0.5687 1.1600 1.3496 2.0459 2.0642 2.2347 2.2521 2.2662 2.2688 2.6863 2.6917 4.1958 4.1960 4.3905 4.3907 4.4883 4.4886 4.5666 4.5753 4.6216 4.6294 4.7016 4.7020 5.1340 5.1509 5.1554 5.1580 5.4898 5.4901 10.4774 10.4779 12.1155 12.1352 13.1037 13.1532 13.3301 13.4756 13.8498 13.9035 14.3090 14.3151 k = 0.3333 0.5774 0.1094 ( 4392 PWs) bands (ev): -26.1038 -26.1038 -14.0198 -14.0178 -13.2010 -13.1614 -12.2499 -12.1956 -11.2110 -11.2088 -10.9230 -10.9182 -10.4772 -10.4767 -8.9021 -8.8725 -7.8616 -7.8179 -7.7246 -7.7111 -2.9914 -2.9839 -1.5791 -1.5049 0.3094 0.3435 0.5132 0.5759 1.1664 1.3564 2.0464 2.0649 2.2310 2.2486 2.2666 2.2703 2.6953 2.7011 4.1832 4.1834 4.3811 4.3819 4.4961 4.4963 4.5776 4.5846 4.6119 4.6176 4.6845 4.6851 5.1245 5.1408 5.1512 5.1547 5.4972 5.4975 10.4762 10.4767 12.1111 12.1305 13.1213 13.1681 13.3638 13.5072 13.8555 13.9096 14.2951 14.2974 k = 0.3333 0.5774 0.1250 ( 4383 PWs) bands (ev): -26.1038 -26.1038 -14.0191 -14.0171 -13.1998 -13.1602 -12.2540 -12.1999 -11.2124 -11.2103 -10.9253 -10.9208 -10.4668 -10.4664 -8.9054 -8.8750 -7.8627 -7.8177 -7.7302 -7.7160 -2.9886 -2.9806 -1.5767 -1.5029 0.3133 0.3467 0.5189 0.5820 1.1715 1.3616 2.0465 2.0648 2.2268 2.2449 2.2667 2.2716 2.7048 2.7111 4.1712 4.1718 4.3734 4.3746 4.5017 4.5018 4.5834 4.5842 4.6123 4.6135 4.6705 4.6714 5.1155 5.1314 5.1483 5.1524 5.5039 5.5043 10.4758 10.4762 12.1088 12.1279 13.1377 13.1823 13.3959 13.5368 13.8624 13.9171 14.2767 14.2782 k = 0.3333 0.5774 0.1406 ( 4389 PWs) bands (ev): -26.1038 -26.1038 -14.0182 -14.0161 -13.1984 -13.1588 -12.2579 -12.2039 -11.2145 -11.2127 -10.9283 -10.9243 -10.4571 -10.4568 -8.9078 -8.8766 -7.8629 -7.8167 -7.7351 -7.7202 -2.9863 -2.9779 -1.5745 -1.5010 0.3165 0.3495 0.5237 0.5871 1.1754 1.3652 2.0461 2.0640 2.2222 2.2410 2.2666 2.2726 2.7146 2.7213 4.1605 4.1615 4.3672 4.3688 4.5048 4.5048 4.5774 4.5810 4.6166 4.6228 4.6598 4.6614 5.1072 5.1229 5.1467 5.1512 5.5099 5.5103 10.4762 10.4765 12.1087 12.1273 13.1528 13.1957 13.4261 13.5642 13.8705 13.9258 14.2533 14.2586 k = 0.3333 0.5774 0.1562 ( 4413 PWs) bands (ev): -26.1038 -26.1038 -14.0171 -14.0150 -13.1969 -13.1571 -12.2616 -12.2076 -11.2171 -11.2157 -10.9320 -10.9285 -10.4483 -10.4480 -8.9092 -8.8774 -7.8622 -7.8150 -7.7391 -7.7236 -2.9845 -2.9757 -1.5725 -1.4992 0.3191 0.3517 0.5274 0.5911 1.1779 1.3672 2.0454 2.0626 2.2173 2.2370 2.2660 2.2733 2.7244 2.7314 4.1518 4.1530 4.3622 4.3641 4.5053 4.5054 4.5707 4.5754 4.6252 4.6332 4.6525 4.6552 5.0998 5.1154 5.1464 5.1512 5.5151 5.5156 10.4774 10.4776 12.1106 12.1287 13.1666 13.2084 13.4539 13.5890 13.8796 13.9357 14.2275 14.2366 k = 0.3333 0.5774 0.1719 ( 4401 PWs) bands (ev): -26.1038 -26.1038 -14.0159 -14.0137 -13.1951 -13.1552 -12.2649 -12.2110 -11.2202 -11.2195 -10.9362 -10.9336 -10.4405 -10.4403 -8.9096 -8.8772 -7.8607 -7.8126 -7.7422 -7.7261 -2.9832 -2.9740 -1.5706 -1.4976 0.3209 0.3533 0.5300 0.5939 1.1790 1.3676 2.0443 2.0606 2.2122 2.2329 2.2650 2.2736 2.7338 2.7412 4.1454 4.1468 4.3584 4.3606 4.5036 4.5040 4.5658 4.5707 4.6342 4.6419 4.6484 4.6533 5.0935 5.1091 5.1474 5.1525 5.5194 5.5199 10.4794 10.4795 12.1147 12.1323 13.1791 13.2202 13.4792 13.6113 13.8897 13.9468 14.1998 14.2127 k = 0.3333 0.5774 0.1875 ( 4401 PWs) bands (ev): -26.1037 -26.1037 -14.0145 -14.0123 -13.1932 -13.1531 -12.2678 -12.2141 -11.2240 -11.2239 -10.9409 -10.9393 -10.4337 -10.4336 -8.9090 -8.8761 -7.8584 -7.8095 -7.7444 -7.7278 -2.9823 -2.9730 -1.5689 -1.4962 0.3220 0.3543 0.5314 0.5956 1.1788 1.3665 2.0429 2.0582 2.2069 2.2287 2.2636 2.2735 2.7426 2.7502 4.1417 4.1432 4.3557 4.3581 4.5003 4.5013 4.5631 4.5678 4.6423 4.6464 4.6469 4.6570 5.0885 5.1041 5.1499 5.1551 5.5227 5.5233 10.4822 10.4822 12.1209 12.1378 13.1902 13.2311 13.5018 13.6307 13.9005 13.9589 14.1704 14.1873 k = 0.3333 0.5774 0.2031 ( 4407 PWs) bands (ev): -26.1037 -26.1037 -14.0131 -14.0107 -13.1911 -13.1508 -12.2704 -12.2167 -11.2290 -11.2281 -10.9461 -10.9457 -10.4281 -10.4281 -8.9074 -8.8741 -7.8552 -7.8058 -7.7457 -7.7286 -2.9820 -2.9725 -1.5673 -1.4951 0.3223 0.3548 0.5318 0.5960 1.1773 1.3637 2.0412 2.0553 2.2014 2.2244 2.2616 2.2731 2.7505 2.7584 4.1409 4.1423 4.3540 4.3566 4.4961 4.4980 4.5629 4.5673 4.6472 4.6486 4.6491 4.6634 5.0849 5.1005 5.1537 5.1590 5.5250 5.5256 10.4857 10.4857 12.1292 12.1453 13.2000 13.2410 13.5214 13.6473 13.9117 13.9721 14.1395 14.1609 k = 0.3333 0.5774 0.2187 ( 4401 PWs) bands (ev): -26.1037 -26.1037 -14.0115 -14.0091 -13.1889 -13.1484 -12.2727 -12.2190 -11.2346 -11.2327 -10.9526 -10.9517 -10.4238 -10.4237 -8.9049 -8.8713 -7.8513 -7.8016 -7.7460 -7.7285 -2.9822 -2.9727 -1.5661 -1.4941 0.3219 0.3546 0.5309 0.5952 1.1744 1.3595 2.0394 2.0521 2.1957 2.2202 2.2592 2.2721 2.7573 2.7654 4.1429 4.1443 4.3535 4.3562 4.4916 4.4945 4.5654 4.5692 4.6490 4.6511 4.6542 4.6690 5.0829 5.0986 5.1589 5.1642 5.5262 5.5269 10.4899 10.4899 12.1394 12.1548 13.2084 13.2501 13.5380 13.6611 13.9227 13.9860 14.1075 14.1341 k = 0.3333 0.5774 0.2344 ( 4401 PWs) bands (ev): -26.1037 -26.1037 -14.0099 -14.0073 -13.1867 -13.1458 -12.2744 -12.2208 -11.2407 -11.2377 -10.9600 -10.9577 -10.4208 -10.4206 -8.9014 -8.8675 -7.8466 -7.7968 -7.7454 -7.7275 -2.9829 -2.9734 -1.5650 -1.4934 0.3207 0.3539 0.5290 0.5932 1.1703 1.3538 2.0374 2.0485 2.1901 2.2159 2.2562 2.2707 2.7630 2.7712 4.1477 4.1491 4.3542 4.3570 4.4871 4.4913 4.5704 4.5736 4.6517 4.6542 4.6575 4.6732 5.0825 5.0982 5.1654 5.1706 5.5263 5.5270 10.4947 10.4948 12.1516 12.1662 13.2154 13.2583 13.5516 13.6721 13.9326 14.0007 14.0744 14.1082 k = 0.3333 0.5774 0.2500 ( 4401 PWs) bands (ev): -26.1037 -26.1037 -14.0082 -14.0055 -13.1843 -13.1431 -12.2758 -12.2223 -11.2472 -11.2430 -10.9679 -10.9639 -10.4190 -10.4188 -8.8969 -8.8630 -7.8413 -7.7915 -7.7437 -7.7256 -2.9841 -2.9748 -1.5642 -1.4930 0.3189 0.3525 0.5259 0.5901 1.1650 1.3467 2.0353 2.0448 2.1845 2.2118 2.2527 2.2688 2.7673 2.7756 4.1550 4.1563 4.3563 4.3592 4.4830 4.4885 4.5781 4.5806 4.6554 4.6579 4.6590 4.6757 5.0838 5.0994 5.1730 5.1781 5.5253 5.5261 10.5002 10.5003 12.1656 12.1794 13.2209 13.2656 13.5623 13.6803 13.9396 14.0160 14.0406 14.0849 k = 0.3333 0.5774 0.2656 ( 4395 PWs) bands (ev): -26.1037 -26.1037 -14.0064 -14.0036 -13.1818 -13.1404 -12.2767 -12.2232 -11.2540 -11.2485 -10.9760 -10.9704 -10.4186 -10.4183 -8.8916 -8.8577 -7.8354 -7.7859 -7.7412 -7.7229 -2.9858 -2.9767 -1.5636 -1.4928 0.3163 0.3507 0.5218 0.5858 1.1585 1.3384 2.0331 2.0408 2.1789 2.2077 2.2488 2.2665 2.7705 2.7788 4.1644 4.1655 4.3601 4.3631 4.4792 4.4860 4.5883 4.5900 4.6586 4.6600 4.6621 4.6768 5.0866 5.1021 5.1816 5.1866 5.5232 5.5240 10.5062 10.5064 12.1814 12.1943 13.2250 13.2721 13.5700 13.6860 13.9406 14.0063 14.0317 14.0674 k = 0.3333 0.5774 0.2812 ( 4407 PWs) bands (ev): -26.1036 -26.1036 -14.0046 -14.0016 -13.1794 -13.1376 -12.2772 -12.2237 -11.2611 -11.2543 -10.9843 -10.9770 -10.4195 -10.4191 -8.8855 -8.8517 -7.8289 -7.7798 -7.7378 -7.7194 -2.9880 -2.9792 -1.5634 -1.4929 0.3130 0.3483 0.5167 0.5805 1.1508 1.3288 2.0309 2.0367 2.1735 2.2037 2.2445 2.2638 2.7724 2.7807 4.1754 4.1762 4.3660 4.3689 4.4756 4.4837 4.6007 4.6018 4.6565 4.6658 4.6662 4.6776 5.0909 5.1062 5.1911 5.1958 5.5200 5.5209 10.5127 10.5129 12.1988 12.2108 13.2275 13.2777 13.5750 13.6891 13.9323 13.9715 14.0477 14.0591 k = 0.3333 0.5774 0.2968 ( 4407 PWs) bands (ev): -26.1036 -26.1036 -14.0028 -13.9997 -13.1769 -13.1348 -12.2773 -12.2237 -11.2684 -11.2602 -10.9928 -10.9837 -10.4217 -10.4212 -8.8787 -8.8450 -7.8220 -7.7735 -7.7334 -7.7151 -2.9907 -2.9823 -1.5634 -1.4932 0.3091 0.3454 0.5108 0.5742 1.1421 1.3180 2.0287 2.0325 2.1684 2.2000 2.2398 2.2606 2.7733 2.7815 4.1871 4.1876 4.3744 4.3771 4.4719 4.4813 4.6148 4.6156 4.6530 4.6679 4.6729 4.6810 5.0964 5.1115 5.2013 5.2057 5.5158 5.5166 10.5196 10.5198 12.2178 12.2287 13.2285 13.2826 13.5774 13.6898 13.9143 13.9365 14.0606 14.0637 k = 0.3333 0.5774 0.3125 ( 4407 PWs) bands (ev): -26.1036 -26.1036 -14.0010 -13.9978 -13.1745 -13.1321 -12.2768 -12.2233 -11.2758 -11.2662 -11.0012 -10.9904 -10.4251 -10.4246 -8.8712 -8.8378 -7.8147 -7.7670 -7.7283 -7.7100 -2.9937 -2.9858 -1.5636 -1.4937 0.3046 0.3421 0.5040 0.5670 1.1325 1.3063 2.0264 2.0283 2.1635 2.1965 2.2348 2.2572 2.7732 2.7814 4.1988 4.1989 4.3857 4.3881 4.4680 4.4786 4.6290 4.6301 4.6494 4.6677 4.6817 4.6886 5.1030 5.1178 5.2120 5.2160 5.5105 5.5114 10.5268 10.5270 12.2381 12.2480 13.2277 13.2867 13.5775 13.6884 13.8895 13.9015 14.0687 14.0797 k = 0.3333 0.5774 0.3281 ( 4407 PWs) bands (ev): -26.1036 -26.1036 -13.9993 -13.9958 -13.1721 -13.1293 -12.2759 -12.2224 -11.2832 -11.2721 -11.0097 -10.9970 -10.4298 -10.4292 -8.8631 -8.8301 -7.8070 -7.7603 -7.7224 -7.7044 -2.9972 -2.9899 -1.5642 -1.4946 0.2995 0.3383 0.4964 0.5589 1.1221 1.2937 2.0240 2.0242 2.1590 2.1932 2.2296 2.2534 2.7724 2.7804 4.2096 4.2100 4.4001 4.4022 4.4637 4.4752 4.6352 4.6385 4.6558 4.6719 4.6924 4.6990 5.1105 5.1250 5.2230 5.2266 5.5043 5.5053 10.5342 10.5344 12.2596 12.2685 13.2252 13.2900 13.5755 13.6849 13.8613 13.8666 14.0805 14.0953 k = 0.3333 0.5774 0.3437 ( 4401 PWs) bands (ev): -26.1036 -26.1036 -13.9976 -13.9940 -13.1698 -13.1267 -12.2746 -12.2210 -11.2905 -11.2780 -11.0179 -11.0035 -10.4355 -10.4350 -8.8546 -8.8220 -7.7991 -7.7536 -7.7159 -7.6981 -3.0011 -2.9943 -1.5650 -1.4956 0.2939 0.3341 0.4883 0.5502 1.1108 1.2803 2.0198 2.0221 2.1548 2.1903 2.2243 2.2495 2.7710 2.7788 4.2191 4.2199 4.4176 4.4195 4.4587 4.4710 4.6290 4.6381 4.6742 4.6862 4.7050 4.7119 5.1186 5.1327 5.2341 5.2373 5.4973 5.4983 10.5418 10.5419 12.2821 12.2899 13.2207 13.2924 13.5718 13.6795 13.8314 13.8319 14.0940 14.1103 k = 0.3333 0.5774 0.3593 ( 4395 PWs) bands (ev): -26.1036 -26.1036 -13.9959 -13.9922 -13.1676 -13.1241 -12.2729 -12.2192 -11.2977 -11.2838 -11.0259 -11.0097 -10.4424 -10.4418 -8.8457 -8.8136 -7.7910 -7.7468 -7.7087 -7.6913 -3.0052 -2.9992 -1.5661 -1.4969 0.2878 0.3296 0.4796 0.5408 1.0989 1.2662 2.0156 2.0199 2.1512 2.1878 2.2190 2.2454 2.7691 2.7768 4.2272 4.2284 4.4379 4.4397 4.4533 4.4659 4.6202 4.6318 4.6958 4.7067 4.7196 4.7271 5.1271 5.1409 5.2452 5.2479 5.4896 5.4906 10.5494 10.5494 12.3054 12.3120 13.2141 13.2941 13.5665 13.6725 13.7976 13.8011 14.1082 14.1247 k = 0.3333 0.5774 0.3750 ( 4395 PWs) bands (ev): -26.1036 -26.1036 -13.9944 -13.9904 -13.1656 -13.1217 -12.2707 -12.2170 -11.3046 -11.2894 -11.0336 -11.0157 -10.4503 -10.4497 -8.8365 -8.8051 -7.7829 -7.7401 -7.7011 -7.6840 -3.0097 -3.0044 -1.5674 -1.4985 0.2813 0.3249 0.4705 0.5308 1.0866 1.2517 2.0115 2.0179 2.1481 2.1857 2.2137 2.2413 2.7670 2.7744 4.2339 4.2355 4.4457 4.4599 4.4622 4.4625 4.6102 4.6231 4.7191 4.7300 4.7362 4.7445 5.1358 5.1493 5.2562 5.2583 5.4812 5.4822 10.5568 10.5569 12.3291 12.3347 13.2052 13.2947 13.5599 13.6638 13.7638 13.7713 14.0773 14.1223 k = 0.3333 0.5774 0.3906 ( 4389 PWs) bands (ev): -26.1036 -26.1036 -13.9929 -13.9888 -13.1636 -13.1195 -12.2681 -12.2144 -11.3113 -11.2947 -11.0409 -11.0213 -10.4590 -10.4584 -8.8272 -8.7964 -7.7748 -7.7336 -7.6930 -7.6764 -3.0143 -3.0098 -1.5689 -1.5002 0.2744 0.3198 0.4612 0.5205 1.0738 1.2368 2.0074 2.0159 2.1456 2.1841 2.2086 2.2373 2.7647 2.7719 4.2394 4.2413 4.4388 4.4530 4.4869 4.4873 4.5995 4.6131 4.7436 4.7547 4.7547 4.7640 5.1446 5.1578 5.2668 5.2683 5.4723 5.4733 10.5640 10.5643 12.3531 12.3576 13.1939 13.2941 13.5519 13.6535 13.7310 13.7425 14.0189 14.1142 k = 0.3333 0.5774 0.4062 ( 4395 PWs) bands (ev): -26.1036 -26.1036 -13.9916 -13.9874 -13.1619 -13.1174 -12.2652 -12.2113 -11.3176 -11.2997 -11.0477 -11.0265 -10.4686 -10.4680 -8.8178 -8.7878 -7.7668 -7.7273 -7.6845 -7.6686 -3.0192 -3.0155 -1.5707 -1.5021 0.2673 0.3146 0.4516 0.5099 1.0607 1.2217 2.0035 2.0140 2.1436 2.1830 2.2038 2.2333 2.7624 2.7694 4.2439 4.2461 4.4310 4.4454 4.5132 4.5133 4.5881 4.6023 4.7691 4.7747 4.7797 4.7861 5.1533 5.1663 5.2769 5.2778 5.4631 5.4641 10.5710 10.5714 12.3769 12.3804 13.1802 13.2922 13.5423 13.6415 13.6998 13.7155 13.9651 14.0479 k = 0.3333 0.5774 0.4218 ( 4398 PWs) bands (ev): -26.1036 -26.1036 -13.9904 -13.9860 -13.1604 -13.1156 -12.2619 -12.2079 -11.3234 -11.3043 -11.0539 -11.0312 -10.4788 -10.4783 -8.8085 -8.7792 -7.7590 -7.7212 -7.6758 -7.6605 -3.0242 -3.0214 -1.5727 -1.5042 0.2599 0.3092 0.4420 0.4991 1.0475 1.2066 1.9997 2.0121 2.1423 2.1824 2.1993 2.2295 2.7601 2.7669 4.2476 4.2501 4.4226 4.4371 4.5399 4.5402 4.5765 4.5909 4.7951 4.7962 4.8037 4.8110 5.1618 5.1746 5.2865 5.2867 5.4537 5.4546 10.5776 10.5782 12.4003 12.4028 13.1640 13.2886 13.5298 13.6275 13.6714 13.6909 13.9166 13.9858 k = 0.3333 0.5774 0.4375 ( 4404 PWs) bands (ev): -26.1036 -26.1036 -13.9893 -13.9849 -13.1591 -13.1140 -12.2582 -12.2042 -11.3288 -11.3086 -11.0595 -11.0354 -10.4896 -10.4891 -8.7993 -8.7709 -7.7515 -7.7155 -7.6670 -7.6523 -3.0292 -3.0273 -1.5749 -1.5064 0.2524 0.3038 0.4324 0.4883 1.0344 1.1915 1.9961 2.0104 2.1416 2.1823 2.1953 2.2259 2.7579 2.7644 4.2507 4.2534 4.4137 4.4283 4.5624 4.5672 4.5687 4.5791 4.8187 4.8214 4.8276 4.8375 5.1700 5.1827 5.2949 5.2953 5.4442 5.4451 10.5837 10.5845 12.4228 12.4245 13.1454 13.2830 13.5130 13.6108 13.6480 13.6692 13.8740 13.9291 k = 0.3333 0.5774 0.4531 ( 4404 PWs) bands (ev): -26.1036 -26.1036 -13.9885 -13.9839 -13.1580 -13.1126 -12.2543 -12.2001 -11.3336 -11.3124 -11.0644 -11.0390 -10.5009 -10.5004 -8.7904 -8.7629 -7.7443 -7.7102 -7.6581 -7.6442 -3.0343 -3.0333 -1.5772 -1.5087 0.2447 0.2983 0.4229 0.4775 1.0214 1.1768 1.9927 2.0087 2.1416 2.1828 2.1917 2.2227 2.7559 2.7621 4.2533 4.2562 4.4046 4.4191 4.5517 4.5671 4.5935 4.5937 4.8420 4.8476 4.8518 4.8643 5.1780 5.1906 5.3023 5.3034 5.4350 5.4357 10.5894 10.5904 12.4439 12.4452 13.1246 13.2751 13.4900 13.5904 13.6314 13.6512 13.8376 13.8796 k = 0.3333 0.5774 0.4687 ( 4404 PWs) bands (ev): -26.1036 -26.1036 -13.9878 -13.9830 -13.1571 -13.1116 -12.2501 -12.1958 -11.3378 -11.3156 -11.0686 -11.0420 -10.5124 -10.5120 -8.7818 -8.7552 -7.7375 -7.7053 -7.6493 -7.6361 -3.0393 -3.0392 -1.5796 -1.5111 0.2372 0.2928 0.4136 0.4669 1.0086 1.1625 1.9895 2.0072 2.1422 2.1838 2.1887 2.2197 2.7540 2.7600 4.2557 4.2587 4.3953 4.4097 4.5395 4.5550 4.6188 4.6193 4.8658 4.8735 4.8763 4.8908 5.1857 5.1982 5.3088 5.3107 5.4260 5.4266 10.5945 10.5957 12.4634 12.4644 13.1020 13.2646 13.4609 13.5653 13.6221 13.6373 13.8078 13.8390 Writing output data file SrGeTeO6.save init_run : 1.24s CPU 0.75s WALL ( 1 calls) electrons : 506.68s CPU 389.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 506.66s CPU 389.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.45s CPU 0.53s WALL ( 297 calls) cegterg : 462.95s CPU 364.37s WALL ( 732 calls) Called by sum_band: Called by *egterg: h_psi : 285.20s CPU 188.67s WALL ( 12689 calls) s_psi : 13.60s CPU 10.30s WALL ( 12689 calls) g_psi : 0.62s CPU 0.44s WALL ( 11660 calls) cdiaghg : 155.34s CPU 145.19s WALL ( 11957 calls) cegterg:over : 17.73s CPU 15.00s WALL ( 11660 calls) cegterg:upda : 15.13s CPU 13.66s WALL ( 11660 calls) cegterg:last : 5.99s CPU 5.76s WALL ( 1623 calls) cdiaghg:chol : 8.70s CPU 8.24s WALL ( 11957 calls) cdiaghg:inve : 6.02s CPU 5.78s WALL ( 11957 calls) cdiaghg:para : 9.68s CPU 9.61s WALL ( 23914 calls) Called by h_psi: h_psi:vloc : 252.13s CPU 162.60s WALL ( 12689 calls) h_psi:vnl : 32.45s CPU 25.56s WALL ( 12689 calls) add_vuspsi : 17.21s CPU 13.14s WALL ( 12689 calls) General routines calbec : 15.16s CPU 12.38s WALL ( 12689 calls) fft : 0.10s CPU 0.06s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 238.89s CPU 151.94s WALL ( 1358040 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 1.09s WALL ( 594 calls) Parallel routines fft_scatter : 75.36s CPU 58.77s WALL ( 1358063 calls) PWSCF : 8m47.45s CPU 7m 1.60s WALL This run was terminated on: 4: 9:26 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=