Program PWSCF v.5.1.1 starts on 18Jul2015 at 1:30:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./Bi2O3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 97 56 16 4047 1770 274 Max 98 57 17 4054 1803 278 Sum 3133 1813 517 129665 57203 8821 bravais-lattice index = 14 lattice parameter (alat) = 11.0360 a.u. unit-cell volume = 1316.4920 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 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)= 11.036000 celldm(2)= 1.000000 celldm(3)= 0.979452 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.979452 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.020979 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) 16 Sym. Ops., with inversion, found ( 8 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4897260 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4897260 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4897260 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4897260 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4897260 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.4897260 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4897260 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4897260 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C2'-2C2' 3 -3 4 -4 2C2''-2C2' 5 -5 6 -6 2C4 7 8 i 9 s_h -s_h 10 -10 2s_v-2s_v 11 -11 12 -12 2s_d-2s_d 13 -13 14 -14 2S4 15 16 -E -1 -2C4 -7 -8 -i -9 -2S4 -15 -16 Cartesian axes number of k points= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0035842 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0035842 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0035842 k( 5) = ( 0.0000000 0.0740741 -0.0000000), wk = 0.0035842 k( 6) = ( 0.0000000 0.0925926 -0.0000000), wk = 0.0035842 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0035842 k( 8) = ( 0.0000000 0.1296296 -0.0000000), wk = 0.0035842 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0035842 k( 10) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0035842 k( 11) = ( 0.0000000 0.1851852 -0.0000000), wk = 0.0035842 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0035842 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0035842 k( 14) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0035842 k( 15) = ( 0.0000000 0.2592593 -0.0000000), wk = 0.0035842 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0035842 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0035842 k( 18) = ( 0.0000000 0.3148148 -0.0000000), wk = 0.0035842 k( 19) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0035842 k( 20) = ( 0.0000000 0.3518519 -0.0000000), wk = 0.0035842 k( 21) = ( 0.0000000 0.3703704 -0.0000000), wk = 0.0035842 k( 22) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0035842 k( 23) = ( 0.0000000 0.4074074 -0.0000000), wk = 0.0035842 k( 24) = ( 0.0000000 0.4259259 -0.0000000), wk = 0.0035842 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0035842 k( 26) = ( 0.0000000 0.4629630 -0.0000000), wk = 0.0035842 k( 27) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0035842 k( 28) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 30) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0035842 k( 31) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0035842 k( 32) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0035842 k( 33) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0035842 k( 34) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0035842 k( 35) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0035842 k( 36) = ( 0.1296296 0.5000000 -0.0000000), wk = 0.0035842 k( 37) = ( 0.1481482 0.5000000 -0.0000000), wk = 0.0035842 k( 38) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0035842 k( 39) = ( 0.1851852 0.5000000 -0.0000000), wk = 0.0035842 k( 40) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0035842 k( 41) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0035842 k( 42) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0035842 k( 43) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0035842 k( 44) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0035842 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0035842 k( 46) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0035842 k( 47) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0035842 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0035842 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0035842 k( 50) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0035842 k( 51) = ( 0.4074074 0.5000000 -0.0000000), wk = 0.0035842 k( 52) = ( 0.4259259 0.5000000 -0.0000000), wk = 0.0035842 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0035842 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0035842 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0035842 k( 56) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035842 k( 57) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035842 k( 58) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0035842 k( 59) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0035842 k( 60) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0035842 k( 61) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0035842 k( 62) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0035842 k( 63) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0035842 k( 64) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0035842 k( 65) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0035842 k( 66) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0035842 k( 67) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0035842 k( 68) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0035842 k( 69) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0035842 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035842 k( 71) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0035842 k( 72) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0035842 k( 73) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0035842 k( 74) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0035842 k( 75) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0035842 k( 76) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0035842 k( 77) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0035842 k( 78) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0035842 k( 79) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0035842 k( 80) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0035842 k( 81) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0035842 k( 82) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0035842 k( 83) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0035842 k( 84) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0035842 k( 85) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0035842 k( 86) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0035842 k( 87) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0035842 k( 88) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0035842 k( 89) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0035842 k( 90) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0035842 k( 91) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0035842 k( 92) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0035842 k( 93) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0035842 k( 94) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0035842 k( 95) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0035842 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 98) = ( 0.0000000 0.0000000 0.0182318), wk = 0.0035842 k( 99) = ( 0.0000000 0.0000000 0.0364635), wk = 0.0035842 k( 100) = ( 0.0000000 0.0000000 0.0546953), wk = 0.0035842 k( 101) = ( 0.0000000 0.0000000 0.0729271), wk = 0.0035842 k( 102) = ( 0.0000000 0.0000000 0.0911588), wk = 0.0035842 k( 103) = ( 0.0000000 0.0000000 0.1093906), wk = 0.0035842 k( 104) = ( 0.0000000 0.0000000 0.1276224), wk = 0.0035842 k( 105) = ( 0.0000000 0.0000000 0.1458541), wk = 0.0035842 k( 106) = ( 0.0000000 0.0000000 0.1640859), wk = 0.0035842 k( 107) = ( 0.0000000 0.0000000 0.1823177), wk = 0.0035842 k( 108) = ( 0.0000000 0.0000000 0.2005494), wk = 0.0035842 k( 109) = ( 0.0000000 0.0000000 0.2187812), wk = 0.0035842 k( 110) = ( 0.0000000 0.0000000 0.2370130), wk = 0.0035842 k( 111) = ( 0.0000000 0.0000000 0.2552448), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.2734765), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.2917083), wk = 0.0035842 k( 114) = ( 0.0000000 0.0000000 0.3099401), wk = 0.0035842 k( 115) = ( 0.0000000 0.0000000 0.3281718), wk = 0.0035842 k( 116) = ( 0.0000000 0.0000000 0.3464036), wk = 0.0035842 k( 117) = ( 0.0000000 0.0000000 0.3646354), wk = 0.0035842 k( 118) = ( 0.0000000 0.0000000 0.3828671), wk = 0.0035842 k( 119) = ( 0.0000000 0.0000000 0.4010989), wk = 0.0035842 k( 120) = ( 0.0000000 0.0000000 0.4193307), wk = 0.0035842 k( 121) = ( 0.0000000 0.0000000 0.4375624), wk = 0.0035842 k( 122) = ( 0.0000000 0.0000000 0.4557942), wk = 0.0035842 k( 123) = ( 0.0000000 0.0000000 0.4740260), wk = 0.0035842 k( 124) = ( 0.0000000 0.0000000 0.4922577), wk = 0.0035842 k( 125) = ( 0.0000000 0.0000000 0.5104895), wk = 0.0035842 k( 126) = ( 0.0000000 0.0000000 0.5104895), wk = 0.0035842 k( 127) = ( 0.0000000 0.0185185 0.5104895), wk = 0.0035842 k( 128) = ( 0.0000000 0.0370370 0.5104895), wk = 0.0035842 k( 129) = ( 0.0000000 0.0555556 0.5104895), wk = 0.0035842 k( 130) = ( 0.0000000 0.0740741 0.5104895), wk = 0.0035842 k( 131) = ( 0.0000000 0.0925926 0.5104895), wk = 0.0035842 k( 132) = ( 0.0000000 0.1111111 0.5104895), wk = 0.0035842 k( 133) = ( 0.0000000 0.1296296 0.5104895), wk = 0.0035842 k( 134) = ( 0.0000000 0.1481482 0.5104895), wk = 0.0035842 k( 135) = ( 0.0000000 0.1666667 0.5104895), wk = 0.0035842 k( 136) = ( 0.0000000 0.1851852 0.5104895), wk = 0.0035842 k( 137) = ( 0.0000000 0.2037037 0.5104895), wk = 0.0035842 k( 138) = ( 0.0000000 0.2222222 0.5104895), wk = 0.0035842 k( 139) = ( 0.0000000 0.2407407 0.5104895), wk = 0.0035842 k( 140) = ( 0.0000000 0.2592593 0.5104895), wk = 0.0035842 k( 141) = ( 0.0000000 0.2777778 0.5104895), wk = 0.0035842 k( 142) = ( 0.0000000 0.2962963 0.5104895), wk = 0.0035842 k( 143) = ( 0.0000000 0.3148148 0.5104895), wk = 0.0035842 k( 144) = ( 0.0000000 0.3333333 0.5104895), wk = 0.0035842 k( 145) = ( 0.0000000 0.3518519 0.5104895), wk = 0.0035842 k( 146) = ( 0.0000000 0.3703704 0.5104895), wk = 0.0035842 k( 147) = ( 0.0000000 0.3888889 0.5104895), wk = 0.0035842 k( 148) = ( 0.0000000 0.4074074 0.5104895), wk = 0.0035842 k( 149) = ( 0.0000000 0.4259259 0.5104895), wk = 0.0035842 k( 150) = ( 0.0000000 0.4444444 0.5104895), wk = 0.0035842 k( 151) = ( 0.0000000 0.4629630 0.5104895), wk = 0.0035842 k( 152) = ( 0.0000000 0.4814815 0.5104895), wk = 0.0035842 k( 153) = ( 0.0000000 0.5000000 0.5104895), wk = 0.0035842 k( 154) = ( 0.0000000 0.5000000 0.5104895), wk = 0.0035842 k( 155) = ( 0.0185185 0.5000000 0.5104895), wk = 0.0035842 k( 156) = ( 0.0370370 0.5000000 0.5104895), wk = 0.0035842 k( 157) = ( 0.0555556 0.5000000 0.5104895), wk = 0.0035842 k( 158) = ( 0.0740741 0.5000000 0.5104895), wk = 0.0035842 k( 159) = ( 0.0925926 0.5000000 0.5104895), wk = 0.0035842 k( 160) = ( 0.1111111 0.5000000 0.5104895), wk = 0.0035842 k( 161) = ( 0.1296296 0.5000000 0.5104895), wk = 0.0035842 k( 162) = ( 0.1481482 0.5000000 0.5104895), wk = 0.0035842 k( 163) = ( 0.1666667 0.5000000 0.5104895), wk = 0.0035842 k( 164) = ( 0.1851852 0.5000000 0.5104895), wk = 0.0035842 k( 165) = ( 0.2037037 0.5000000 0.5104895), wk = 0.0035842 k( 166) = ( 0.2222222 0.5000000 0.5104895), wk = 0.0035842 k( 167) = ( 0.2407407 0.5000000 0.5104895), wk = 0.0035842 k( 168) = ( 0.2592593 0.5000000 0.5104895), wk = 0.0035842 k( 169) = ( 0.2777778 0.5000000 0.5104895), wk = 0.0035842 k( 170) = ( 0.2962963 0.5000000 0.5104895), wk = 0.0035842 k( 171) = ( 0.3148148 0.5000000 0.5104895), wk = 0.0035842 k( 172) = ( 0.3333333 0.5000000 0.5104895), wk = 0.0035842 k( 173) = ( 0.3518519 0.5000000 0.5104895), wk = 0.0035842 k( 174) = ( 0.3703704 0.5000000 0.5104895), wk = 0.0035842 k( 175) = ( 0.3888889 0.5000000 0.5104895), wk = 0.0035842 k( 176) = ( 0.4074074 0.5000000 0.5104895), wk = 0.0035842 k( 177) = ( 0.4259259 0.5000000 0.5104895), wk = 0.0035842 k( 178) = ( 0.4444444 0.5000000 0.5104895), wk = 0.0035842 k( 179) = ( 0.4629630 0.5000000 0.5104895), wk = 0.0035842 k( 180) = ( 0.4814815 0.5000000 0.5104895), wk = 0.0035842 k( 181) = ( 0.5000000 0.5000000 0.5104895), wk = 0.0035842 k( 182) = ( 0.5000000 0.5000000 0.5104895), wk = 0.0035842 k( 183) = ( 0.4871795 0.4871795 0.5104895), wk = 0.0035842 k( 184) = ( 0.4743590 0.4743590 0.5104895), wk = 0.0035842 k( 185) = ( 0.4615385 0.4615385 0.5104895), wk = 0.0035842 k( 186) = ( 0.4487179 0.4487179 0.5104895), wk = 0.0035842 k( 187) = ( 0.4358974 0.4358974 0.5104895), wk = 0.0035842 k( 188) = ( 0.4230769 0.4230769 0.5104895), wk = 0.0035842 k( 189) = ( 0.4102564 0.4102564 0.5104895), wk = 0.0035842 k( 190) = ( 0.3974359 0.3974359 0.5104895), wk = 0.0035842 k( 191) = ( 0.3846154 0.3846154 0.5104895), wk = 0.0035842 k( 192) = ( 0.3717949 0.3717949 0.5104895), wk = 0.0035842 k( 193) = ( 0.3589744 0.3589744 0.5104895), wk = 0.0035842 k( 194) = ( 0.3461538 0.3461538 0.5104895), wk = 0.0035842 k( 195) = ( 0.3333333 0.3333333 0.5104895), wk = 0.0035842 k( 196) = ( 0.3205128 0.3205128 0.5104895), wk = 0.0035842 k( 197) = ( 0.3076923 0.3076923 0.5104895), wk = 0.0035842 k( 198) = ( 0.2948718 0.2948718 0.5104895), wk = 0.0035842 k( 199) = ( 0.2820513 0.2820513 0.5104895), wk = 0.0035842 k( 200) = ( 0.2692308 0.2692308 0.5104895), wk = 0.0035842 k( 201) = ( 0.2564103 0.2564103 0.5104895), wk = 0.0035842 k( 202) = ( 0.2435897 0.2435897 0.5104895), wk = 0.0035842 k( 203) = ( 0.2307692 0.2307692 0.5104895), wk = 0.0035842 k( 204) = ( 0.2179487 0.2179487 0.5104895), wk = 0.0035842 k( 205) = ( 0.2051282 0.2051282 0.5104895), wk = 0.0035842 k( 206) = ( 0.1923077 0.1923077 0.5104895), wk = 0.0035842 k( 207) = ( 0.1794872 0.1794872 0.5104895), wk = 0.0035842 k( 208) = ( 0.1666667 0.1666667 0.5104895), wk = 0.0035842 k( 209) = ( 0.1538461 0.1538461 0.5104895), wk = 0.0035842 k( 210) = ( 0.1410256 0.1410256 0.5104895), wk = 0.0035842 k( 211) = ( 0.1282051 0.1282051 0.5104895), wk = 0.0035842 k( 212) = ( 0.1153846 0.1153846 0.5104895), wk = 0.0035842 k( 213) = ( 0.1025641 0.1025641 0.5104895), wk = 0.0035842 k( 214) = ( 0.0897436 0.0897436 0.5104895), wk = 0.0035842 k( 215) = ( 0.0769231 0.0769231 0.5104895), wk = 0.0035842 k( 216) = ( 0.0641026 0.0641026 0.5104895), wk = 0.0035842 k( 217) = ( 0.0512821 0.0512820 0.5104895), wk = 0.0035842 k( 218) = ( 0.0384615 0.0384615 0.5104895), wk = 0.0035842 k( 219) = ( 0.0256410 0.0256410 0.5104895), wk = 0.0035842 k( 220) = ( 0.0128205 0.0128205 0.5104895), wk = 0.0035842 k( 221) = ( 0.0000000 0.0000000 0.5104895), wk = 0.0035842 k( 222) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0035842 k( 223) = ( 0.0000000 0.5000000 0.0182318), wk = 0.0035842 k( 224) = ( 0.0000000 0.5000000 0.0364635), wk = 0.0035842 k( 225) = ( 0.0000000 0.5000000 0.0546953), wk = 0.0035842 k( 226) = ( 0.0000000 0.5000000 0.0729271), wk = 0.0035842 k( 227) = ( 0.0000000 0.5000000 0.0911588), wk = 0.0035842 k( 228) = ( 0.0000000 0.5000000 0.1093906), wk = 0.0035842 k( 229) = ( 0.0000000 0.5000000 0.1276224), wk = 0.0035842 k( 230) = ( 0.0000000 0.5000000 0.1458541), wk = 0.0035842 k( 231) = ( 0.0000000 0.5000000 0.1640859), wk = 0.0035842 k( 232) = ( 0.0000000 0.5000000 0.1823177), wk = 0.0035842 k( 233) = ( 0.0000000 0.5000000 0.2005494), wk = 0.0035842 k( 234) = ( 0.0000000 0.5000000 0.2187812), wk = 0.0035842 k( 235) = ( 0.0000000 0.5000000 0.2370130), wk = 0.0035842 k( 236) = ( 0.0000000 0.5000000 0.2552448), wk = 0.0035842 k( 237) = ( 0.0000000 0.5000000 0.2734765), wk = 0.0035842 k( 238) = ( 0.0000000 0.5000000 0.2917083), wk = 0.0035842 k( 239) = ( 0.0000000 0.5000000 0.3099401), wk = 0.0035842 k( 240) = ( 0.0000000 0.5000000 0.3281718), wk = 0.0035842 k( 241) = ( 0.0000000 0.5000000 0.3464036), wk = 0.0035842 k( 242) = ( 0.0000000 0.5000000 0.3646354), wk = 0.0035842 k( 243) = ( 0.0000000 0.5000000 0.3828671), wk = 0.0035842 k( 244) = ( 0.0000000 0.5000000 0.4010989), wk = 0.0035842 k( 245) = ( 0.0000000 0.5000000 0.4193307), wk = 0.0035842 k( 246) = ( 0.0000000 0.5000000 0.4375624), wk = 0.0035842 k( 247) = ( 0.0000000 0.5000000 0.4557942), wk = 0.0035842 k( 248) = ( 0.0000000 0.5000000 0.4740260), wk = 0.0035842 k( 249) = ( 0.0000000 0.5000000 0.4922577), wk = 0.0035842 k( 250) = ( 0.0000000 0.5000000 0.5104895), wk = 0.0035842 k( 251) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0035842 k( 252) = ( 0.5000000 0.5000000 0.0182318), wk = 0.0035842 k( 253) = ( 0.5000000 0.5000000 0.0364635), wk = 0.0035842 k( 254) = ( 0.5000000 0.5000000 0.0546953), wk = 0.0035842 k( 255) = ( 0.5000000 0.5000000 0.0729271), wk = 0.0035842 k( 256) = ( 0.5000000 0.5000000 0.0911588), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 0.1093906), wk = 0.0035842 k( 258) = ( 0.5000000 0.5000000 0.1276224), wk = 0.0035842 k( 259) = ( 0.5000000 0.5000000 0.1458541), wk = 0.0035842 k( 260) = ( 0.5000000 0.5000000 0.1640859), wk = 0.0035842 k( 261) = ( 0.5000000 0.5000000 0.1823177), wk = 0.0035842 k( 262) = ( 0.5000000 0.5000000 0.2005494), wk = 0.0035842 k( 263) = ( 0.5000000 0.5000000 0.2187812), wk = 0.0035842 k( 264) = ( 0.5000000 0.5000000 0.2370130), wk = 0.0035842 k( 265) = ( 0.5000000 0.5000000 0.2552448), wk = 0.0035842 k( 266) = ( 0.5000000 0.5000000 0.2734765), wk = 0.0035842 k( 267) = ( 0.5000000 0.5000000 0.2917083), wk = 0.0035842 k( 268) = ( 0.5000000 0.5000000 0.3099401), wk = 0.0035842 k( 269) = ( 0.5000000 0.5000000 0.3281718), wk = 0.0035842 k( 270) = ( 0.5000000 0.5000000 0.3464036), wk = 0.0035842 k( 271) = ( 0.5000000 0.5000000 0.3646354), wk = 0.0035842 k( 272) = ( 0.5000000 0.5000000 0.3828671), wk = 0.0035842 k( 273) = ( 0.5000000 0.5000000 0.4010989), wk = 0.0035842 k( 274) = ( 0.5000000 0.5000000 0.4193307), wk = 0.0035842 k( 275) = ( 0.5000000 0.5000000 0.4375624), wk = 0.0035842 k( 276) = ( 0.5000000 0.5000000 0.4557942), wk = 0.0035842 k( 277) = ( 0.5000000 0.5000000 0.4740260), wk = 0.0035842 k( 278) = ( 0.5000000 0.5000000 0.4922577), wk = 0.0035842 k( 279) = ( 0.5000000 0.5000000 0.5104895), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0185185 -0.0000000), wk = 0.0035842 k( 3) = ( 0.0000000 0.0370370 -0.0000000), wk = 0.0035842 k( 4) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0035842 k( 5) = ( 0.0000000 0.0740741 0.0000000), wk = 0.0035842 k( 6) = ( 0.0000000 0.0925926 0.0000000), wk = 0.0035842 k( 7) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0035842 k( 8) = ( 0.0000000 0.1296296 0.0000000), wk = 0.0035842 k( 9) = ( 0.0000000 0.1481482 -0.0000000), wk = 0.0035842 k( 10) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0035842 k( 11) = ( 0.0000000 0.1851852 0.0000000), wk = 0.0035842 k( 12) = ( 0.0000000 0.2037037 -0.0000000), wk = 0.0035842 k( 13) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0035842 k( 14) = ( 0.0000000 0.2407407 -0.0000000), wk = 0.0035842 k( 15) = ( 0.0000000 0.2592593 0.0000000), wk = 0.0035842 k( 16) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0035842 k( 17) = ( 0.0000000 0.2962963 -0.0000000), wk = 0.0035842 k( 18) = ( 0.0000000 0.3148148 0.0000000), wk = 0.0035842 k( 19) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0035842 k( 20) = ( 0.0000000 0.3518519 0.0000000), wk = 0.0035842 k( 21) = ( 0.0000000 0.3703704 0.0000000), wk = 0.0035842 k( 22) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0035842 k( 23) = ( 0.0000000 0.4074074 0.0000000), wk = 0.0035842 k( 24) = ( 0.0000000 0.4259259 0.0000000), wk = 0.0035842 k( 25) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0035842 k( 26) = ( 0.0000000 0.4629630 0.0000000), wk = 0.0035842 k( 27) = ( 0.0000000 0.4814815 -0.0000000), wk = 0.0035842 k( 28) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 30) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0035842 k( 31) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0035842 k( 32) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0035842 k( 33) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0035842 k( 34) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0035842 k( 35) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0035842 k( 36) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0035842 k( 37) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0035842 k( 38) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0035842 k( 39) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0035842 k( 40) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0035842 k( 41) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0035842 k( 42) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0035842 k( 43) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0035842 k( 44) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0035842 k( 45) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0035842 k( 46) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0035842 k( 47) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0035842 k( 48) = ( 0.3518519 0.5000000 -0.0000000), wk = 0.0035842 k( 49) = ( 0.3703704 0.5000000 -0.0000000), wk = 0.0035842 k( 50) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0035842 k( 51) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0035842 k( 52) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0035842 k( 53) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0035842 k( 54) = ( 0.4629630 0.5000000 -0.0000000), wk = 0.0035842 k( 55) = ( 0.4814815 0.5000000 -0.0000000), wk = 0.0035842 k( 56) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 57) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 58) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0035842 k( 59) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0035842 k( 60) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0035842 k( 61) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0035842 k( 62) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0035842 k( 63) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0035842 k( 64) = ( 0.4102564 0.4102564 0.0000000), wk = 0.0035842 k( 65) = ( 0.3974359 0.3974359 0.0000000), wk = 0.0035842 k( 66) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0035842 k( 67) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0035842 k( 68) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0035842 k( 69) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0035842 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035842 k( 71) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0035842 k( 72) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0035842 k( 73) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0035842 k( 74) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0035842 k( 75) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0035842 k( 76) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0035842 k( 77) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0035842 k( 78) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0035842 k( 79) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0035842 k( 80) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0035842 k( 81) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0035842 k( 82) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0035842 k( 83) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035842 k( 84) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0035842 k( 85) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0035842 k( 86) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0035842 k( 87) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0035842 k( 88) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0035842 k( 89) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0035842 k( 90) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0035842 k( 91) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0035842 k( 92) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0035842 k( 93) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0035842 k( 94) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0035842 k( 95) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0035842 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 98) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0035842 k( 99) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0035842 k( 100) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0035842 k( 101) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0035842 k( 102) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0035842 k( 103) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0035842 k( 104) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035842 k( 105) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0035842 k( 106) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0035842 k( 107) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0035842 k( 108) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0035842 k( 109) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0035842 k( 110) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0035842 k( 111) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0035842 k( 114) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0035842 k( 115) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0035842 k( 116) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0035842 k( 117) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0035842 k( 118) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035842 k( 119) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0035842 k( 120) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0035842 k( 121) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0035842 k( 122) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0035842 k( 123) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0035842 k( 124) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0035842 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 127) = ( 0.0000000 0.0185185 0.5000000), wk = 0.0035842 k( 128) = ( 0.0000000 0.0370370 0.5000000), wk = 0.0035842 k( 129) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0035842 k( 130) = ( 0.0000000 0.0740741 0.5000000), wk = 0.0035842 k( 131) = ( 0.0000000 0.0925926 0.5000000), wk = 0.0035842 k( 132) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0035842 k( 133) = ( 0.0000000 0.1296296 0.5000000), wk = 0.0035842 k( 134) = ( 0.0000000 0.1481482 0.5000000), wk = 0.0035842 k( 135) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0035842 k( 136) = ( 0.0000000 0.1851852 0.5000000), wk = 0.0035842 k( 137) = ( 0.0000000 0.2037037 0.5000000), wk = 0.0035842 k( 138) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0035842 k( 139) = ( 0.0000000 0.2407407 0.5000000), wk = 0.0035842 k( 140) = ( 0.0000000 0.2592593 0.5000000), wk = 0.0035842 k( 141) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0035842 k( 142) = ( 0.0000000 0.2962963 0.5000000), wk = 0.0035842 k( 143) = ( 0.0000000 0.3148148 0.5000000), wk = 0.0035842 k( 144) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0035842 k( 145) = ( 0.0000000 0.3518519 0.5000000), wk = 0.0035842 k( 146) = ( 0.0000000 0.3703704 0.5000000), wk = 0.0035842 k( 147) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0035842 k( 148) = ( 0.0000000 0.4074074 0.5000000), wk = 0.0035842 k( 149) = ( 0.0000000 0.4259259 0.5000000), wk = 0.0035842 k( 150) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0035842 k( 151) = ( 0.0000000 0.4629630 0.5000000), wk = 0.0035842 k( 152) = ( 0.0000000 0.4814815 0.5000000), wk = 0.0035842 k( 153) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035842 k( 154) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035842 k( 155) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0035842 k( 156) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0035842 k( 157) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0035842 k( 158) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0035842 k( 159) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0035842 k( 160) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0035842 k( 161) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0035842 k( 162) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0035842 k( 163) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0035842 k( 164) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0035842 k( 165) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0035842 k( 166) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0035842 k( 167) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0035842 k( 168) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0035842 k( 169) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0035842 k( 170) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0035842 k( 171) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0035842 k( 172) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0035842 k( 173) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0035842 k( 174) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0035842 k( 175) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0035842 k( 176) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0035842 k( 177) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0035842 k( 178) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0035842 k( 179) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0035842 k( 180) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0035842 k( 181) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 182) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 k( 183) = ( 0.4871795 0.4871795 0.5000000), wk = 0.0035842 k( 184) = ( 0.4743590 0.4743590 0.5000000), wk = 0.0035842 k( 185) = ( 0.4615385 0.4615385 0.5000000), wk = 0.0035842 k( 186) = ( 0.4487179 0.4487179 0.5000000), wk = 0.0035842 k( 187) = ( 0.4358974 0.4358974 0.5000000), wk = 0.0035842 k( 188) = ( 0.4230769 0.4230769 0.5000000), wk = 0.0035842 k( 189) = ( 0.4102564 0.4102564 0.5000000), wk = 0.0035842 k( 190) = ( 0.3974359 0.3974359 0.5000000), wk = 0.0035842 k( 191) = ( 0.3846154 0.3846154 0.5000000), wk = 0.0035842 k( 192) = ( 0.3717949 0.3717949 0.5000000), wk = 0.0035842 k( 193) = ( 0.3589744 0.3589744 0.5000000), wk = 0.0035842 k( 194) = ( 0.3461538 0.3461538 0.5000000), wk = 0.0035842 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035842 k( 196) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0035842 k( 197) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0035842 k( 198) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0035842 k( 199) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0035842 k( 200) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0035842 k( 201) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0035842 k( 202) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0035842 k( 203) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0035842 k( 204) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0035842 k( 205) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0035842 k( 206) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0035842 k( 207) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0035842 k( 208) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035842 k( 209) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0035842 k( 210) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0035842 k( 211) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0035842 k( 212) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0035842 k( 213) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0035842 k( 214) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0035842 k( 215) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0035842 k( 216) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0035842 k( 217) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0035842 k( 218) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0035842 k( 219) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0035842 k( 220) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0035842 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 222) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 223) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0035842 k( 224) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0035842 k( 225) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0035842 k( 226) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0035842 k( 227) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0035842 k( 228) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0035842 k( 229) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0035842 k( 230) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0035842 k( 231) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0035842 k( 232) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0035842 k( 233) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0035842 k( 234) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0035842 k( 235) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0035842 k( 236) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0035842 k( 237) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0035842 k( 238) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0035842 k( 239) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0035842 k( 240) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0035842 k( 241) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0035842 k( 242) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0035842 k( 243) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0035842 k( 244) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0035842 k( 245) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0035842 k( 246) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0035842 k( 247) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0035842 k( 248) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0035842 k( 249) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0035842 k( 250) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0035842 k( 251) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035842 k( 252) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0035842 k( 253) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0035842 k( 254) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0035842 k( 255) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0035842 k( 256) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0035842 k( 258) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0035842 k( 259) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0035842 k( 260) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0035842 k( 261) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0035842 k( 262) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0035842 k( 263) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0035842 k( 264) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0035842 k( 265) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0035842 k( 266) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0035842 k( 267) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0035842 k( 268) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0035842 k( 269) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0035842 k( 270) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0035842 k( 271) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0035842 k( 272) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0035842 k( 273) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0035842 k( 274) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0035842 k( 275) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0035842 k( 276) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0035842 k( 277) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0035842 k( 278) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0035842 k( 279) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035842 Dense grid: 129665 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 57203 G-vectors FFT dimensions: ( 50, 50, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 466, 68) NL pseudopotentials 0.53 Mb ( 233, 148) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 4054) G-vector shells 0.02 Mb ( 1974) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.93 Mb ( 466, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.31 Mb ( 148, 2, 68) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Bi2O3.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 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 9.6 secs Computing kpt #: 4 total cpu time spent up to now is 12.9 secs Computing kpt #: 5 total cpu time spent up to now is 15.7 secs Computing kpt #: 6 total cpu time spent up to now is 18.7 secs Computing kpt #: 7 total cpu time spent up to now is 21.9 secs Computing kpt #: 8 total cpu time spent up to now is 25.1 secs Computing kpt #: 9 total cpu time spent up to now is 28.3 secs Computing kpt #: 10 total cpu time spent up to now is 31.7 secs Computing kpt #: 11 total cpu time spent up to now is 34.7 secs Computing kpt #: 12 total cpu time spent up to now is 38.1 secs Computing kpt #: 13 total cpu time spent up to now is 41.0 secs Computing kpt #: 14 total cpu time spent up to now is 43.8 secs Computing kpt #: 15 total cpu time spent up to now is 46.9 secs Computing kpt #: 16 total cpu time spent up to now is 50.2 secs Computing kpt #: 17 total cpu time spent up to now is 52.8 secs Computing kpt #: 18 total cpu time spent up to now is 55.6 secs Computing kpt #: 19 total cpu time spent up to now is 58.4 secs Computing kpt #: 20 total cpu time spent up to now is 63.8 secs Computing kpt #: 21 total cpu time spent up to now is 67.4 secs Computing kpt #: 22 total cpu time spent up to now is 71.1 secs Computing kpt #: 23 total cpu time spent up to now is 74.3 secs Computing kpt #: 24 total cpu time spent up to now is 77.1 secs Computing kpt #: 25 total cpu time spent up to now is 79.6 secs Computing kpt #: 26 total cpu time spent up to now is 82.0 secs Computing kpt #: 27 total cpu time spent up to now is 84.4 secs Computing kpt #: 28 total cpu time spent up to now is 86.6 secs Computing kpt #: 29 total cpu time spent up to now is 88.9 secs Computing kpt #: 30 total cpu time spent up to now is 91.3 secs Computing kpt #: 31 total cpu time spent up to now is 93.7 secs Computing kpt #: 32 total cpu time spent up to now is 96.2 secs Computing kpt #: 33 total cpu time spent up to now is 98.6 secs Computing kpt #: 34 total cpu time spent up to now is 101.1 secs Computing kpt #: 35 total cpu time spent up to now is 103.8 secs Computing kpt #: 36 total cpu time spent up to now is 106.5 secs Computing kpt #: 37 total cpu time spent up to now is 109.0 secs Computing kpt #: 38 total cpu time spent up to now is 111.6 secs Computing kpt #: 39 total cpu time spent up to now is 114.2 secs Computing kpt #: 40 total cpu time spent up to now is 116.7 secs Computing kpt #: 41 total cpu time spent up to now is 119.2 secs Computing kpt #: 42 total cpu time spent up to now is 121.7 secs Computing kpt #: 43 total cpu time spent up to now is 124.2 secs Computing kpt #: 44 total cpu time spent up to now is 126.6 secs Computing kpt #: 45 total cpu time spent up to now is 128.8 secs Computing kpt #: 46 total cpu time spent up to now is 131.1 secs Computing kpt #: 47 total cpu time spent up to now is 133.5 secs Computing kpt #: 48 total cpu time spent up to now is 135.7 secs Computing kpt #: 49 total cpu time spent up to now is 137.9 secs Computing kpt #: 50 total cpu time spent up to now is 140.1 secs Computing kpt #: 51 total cpu time spent up to now is 142.5 secs Computing kpt #: 52 total cpu time spent up to now is 144.6 secs Computing kpt #: 53 total cpu time spent up to now is 146.7 secs Computing kpt #: 54 total cpu time spent up to now is 148.8 secs Computing kpt #: 55 total cpu time spent up to now is 150.8 secs Computing kpt #: 56 total cpu time spent up to now is 152.7 secs Computing kpt #: 57 total cpu time spent up to now is 154.7 secs Computing kpt #: 58 total cpu time spent up to now is 156.7 secs Computing kpt #: 59 total cpu time spent up to now is 158.8 secs Computing kpt #: 60 total cpu time spent up to now is 160.9 secs Computing kpt #: 61 total cpu time spent up to now is 163.1 secs Computing kpt #: 62 total cpu time spent up to now is 165.1 secs Computing kpt #: 63 total cpu time spent up to now is 167.4 secs Computing kpt #: 64 total cpu time spent up to now is 169.9 secs Computing kpt #: 65 total cpu time spent up to now is 172.3 secs Computing kpt #: 66 total cpu time spent up to now is 174.8 secs Computing kpt #: 67 total cpu time spent up to now is 177.2 secs Computing kpt #: 68 total cpu time spent up to now is 179.7 secs Computing kpt #: 69 total cpu time spent up to now is 182.3 secs Computing kpt #: 70 total cpu time spent up to now is 184.8 secs Computing kpt #: 71 total cpu time spent up to now is 187.2 secs Computing kpt #: 72 total cpu time spent up to now is 190.0 secs Computing kpt #: 73 total cpu time spent up to now is 192.5 secs Computing kpt #: 74 total cpu time spent up to now is 195.0 secs Computing kpt #: 75 total cpu time spent up to now is 197.6 secs Computing kpt #: 76 total cpu time spent up to now is 200.0 secs Computing kpt #: 77 total cpu time spent up to now is 202.5 secs Computing kpt #: 78 total cpu time spent up to now is 205.4 secs Computing kpt #: 79 total cpu time spent up to now is 208.2 secs Computing kpt #: 80 total cpu time spent up to now is 211.0 secs Computing kpt #: 81 total cpu time spent up to now is 214.0 secs Computing kpt #: 82 total cpu time spent up to now is 217.2 secs Computing kpt #: 83 total cpu time spent up to now is 220.8 secs Computing kpt #: 84 total cpu time spent up to now is 224.5 secs Computing kpt #: 85 total cpu time spent up to now is 228.2 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.1 secs Computing kpt #: 87 total cpu time spent up to now is 235.7 secs Computing kpt #: 88 total cpu time spent up to now is 239.3 secs Computing kpt #: 89 total cpu time spent up to now is 243.1 secs Computing kpt #: 90 total cpu time spent up to now is 246.9 secs Computing kpt #: 91 total cpu time spent up to now is 249.7 secs Computing kpt #: 92 total cpu time spent up to now is 253.2 secs Computing kpt #: 93 total cpu time spent up to now is 256.5 secs Computing kpt #: 94 total cpu time spent up to now is 259.2 secs Computing kpt #: 95 total cpu time spent up to now is 261.9 secs Computing kpt #: 96 total cpu time spent up to now is 264.6 secs Computing kpt #: 97 total cpu time spent up to now is 267.2 secs Computing kpt #: 98 total cpu time spent up to now is 269.7 secs Computing kpt #: 99 total cpu time spent up to now is 272.7 secs Computing kpt #: 100 total cpu time spent up to now is 275.7 secs Computing kpt #: 101 total cpu time spent up to now is 278.7 secs Computing kpt #: 102 total cpu time spent up to now is 281.8 secs Computing kpt #: 103 total cpu time spent up to now is 285.1 secs Computing kpt #: 104 total cpu time spent up to now is 288.4 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.5 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.5 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.5 secs Computing kpt #: 108 total cpu time spent up to now is 303.6 secs Computing kpt #: 109 total cpu time spent up to now is 306.5 secs Computing kpt #: 110 total cpu time spent up to now is 309.4 secs Computing kpt #: 111 total cpu time spent up to now is 312.0 secs Computing kpt #: 112 total cpu time spent up to now is 314.5 secs Computing kpt #: 113 total cpu time spent up to now is 317.0 secs Computing kpt #: 114 total cpu time spent up to now is 319.6 secs Computing kpt #: 115 total cpu time spent up to now is 322.2 secs Computing kpt #: 116 total cpu time spent up to now is 324.8 secs Computing kpt #: 117 total cpu time spent up to now is 327.4 secs Computing kpt #: 118 total cpu time spent up to now is 330.0 secs Computing kpt #: 119 total cpu time spent up to now is 332.5 secs Computing kpt #: 120 total cpu time spent up to now is 335.0 secs Computing kpt #: 121 total cpu time spent up to now is 337.4 secs Computing kpt #: 122 total cpu time spent up to now is 339.8 secs Computing kpt #: 123 total cpu time spent up to now is 342.3 secs Computing kpt #: 124 total cpu time spent up to now is 344.5 secs Computing kpt #: 125 total cpu time spent up to now is 346.8 secs Computing kpt #: 126 total cpu time spent up to now is 349.0 secs Computing kpt #: 127 total cpu time spent up to now is 351.0 secs Computing kpt #: 128 total cpu time spent up to now is 352.9 secs Computing kpt #: 129 total cpu time spent up to now is 355.1 secs Computing kpt #: 130 total cpu time spent up to now is 357.5 secs Computing kpt #: 131 total cpu time spent up to now is 359.8 secs Computing kpt #: 132 total cpu time spent up to now is 364.2 secs Computing kpt #: 133 total cpu time spent up to now is 366.2 secs Computing kpt #: 134 total cpu time spent up to now is 368.3 secs Computing kpt #: 135 total cpu time spent up to now is 370.7 secs Computing kpt #: 136 total cpu time spent up to now is 372.7 secs Computing kpt #: 137 total cpu time spent up to now is 375.1 secs Computing kpt #: 138 total cpu time spent up to now is 377.1 secs Computing kpt #: 139 total cpu time spent up to now is 379.1 secs Computing kpt #: 140 total cpu time spent up to now is 381.2 secs Computing kpt #: 141 total cpu time spent up to now is 383.2 secs Computing kpt #: 142 total cpu time spent up to now is 385.2 secs Computing kpt #: 143 total cpu time spent up to now is 387.2 secs Computing kpt #: 144 total cpu time spent up to now is 389.1 secs Computing kpt #: 145 total cpu time spent up to now is 391.0 secs Computing kpt #: 146 total cpu time spent up to now is 392.9 secs Computing kpt #: 147 total cpu time spent up to now is 394.9 secs Computing kpt #: 148 total cpu time spent up to now is 396.7 secs Computing kpt #: 149 total cpu time spent up to now is 398.6 secs Computing kpt #: 150 total cpu time spent up to now is 400.5 secs Computing kpt #: 151 total cpu time spent up to now is 402.4 secs Computing kpt #: 152 total cpu time spent up to now is 404.3 secs Computing kpt #: 153 total cpu time spent up to now is 406.1 secs Computing kpt #: 154 total cpu time spent up to now is 408.0 secs Computing kpt #: 155 total cpu time spent up to now is 409.9 secs Computing kpt #: 156 total cpu time spent up to now is 411.7 secs Computing kpt #: 157 total cpu time spent up to now is 413.6 secs Computing kpt #: 158 total cpu time spent up to now is 415.5 secs Computing kpt #: 159 total cpu time spent up to now is 417.3 secs Computing kpt #: 160 total cpu time spent up to now is 419.2 secs Computing kpt #: 161 total cpu time spent up to now is 421.1 secs Computing kpt #: 162 total cpu time spent up to now is 423.0 secs Computing kpt #: 163 total cpu time spent up to now is 424.9 secs Computing kpt #: 164 total cpu time spent up to now is 426.7 secs Computing kpt #: 165 total cpu time spent up to now is 428.6 secs Computing kpt #: 166 total cpu time spent up to now is 430.4 secs Computing kpt #: 167 total cpu time spent up to now is 432.3 secs Computing kpt #: 168 total cpu time spent up to now is 434.2 secs Computing kpt #: 169 total cpu time spent up to now is 436.0 secs Computing kpt #: 170 total cpu time spent up to now is 437.9 secs Computing kpt #: 171 total cpu time spent up to now is 439.7 secs Computing kpt #: 172 total cpu time spent up to now is 441.6 secs Computing kpt #: 173 total cpu time spent up to now is 443.5 secs Computing kpt #: 174 total cpu time spent up to now is 445.3 secs Computing kpt #: 175 total cpu time spent up to now is 447.2 secs Computing kpt #: 176 total cpu time spent up to now is 449.0 secs Computing kpt #: 177 total cpu time spent up to now is 450.9 secs Computing kpt #: 178 total cpu time spent up to now is 452.7 secs Computing kpt #: 179 total cpu time spent up to now is 454.6 secs Computing kpt #: 180 total cpu time spent up to now is 456.4 secs Computing kpt #: 181 total cpu time spent up to now is 458.2 secs Computing kpt #: 182 total cpu time spent up to now is 460.0 secs Computing kpt #: 183 total cpu time spent up to now is 461.9 secs Computing kpt #: 184 total cpu time spent up to now is 463.7 secs Computing kpt #: 185 total cpu time spent up to now is 465.6 secs Computing kpt #: 186 total cpu time spent up to now is 467.4 secs Computing kpt #: 187 total cpu time spent up to now is 469.2 secs Computing kpt #: 188 total cpu time spent up to now is 471.1 secs Computing kpt #: 189 total cpu time spent up to now is 473.0 secs Computing kpt #: 190 total cpu time spent up to now is 474.8 secs Computing kpt #: 191 total cpu time spent up to now is 476.6 secs Computing kpt #: 192 total cpu time spent up to now is 478.5 secs Computing kpt #: 193 total cpu time spent up to now is 480.3 secs Computing kpt #: 194 total cpu time spent up to now is 482.2 secs Computing kpt #: 195 total cpu time spent up to now is 484.1 secs Computing kpt #: 196 total cpu time spent up to now is 486.0 secs Computing kpt #: 197 total cpu time spent up to now is 487.9 secs Computing kpt #: 198 total cpu time spent up to now is 489.7 secs Computing kpt #: 199 total cpu time spent up to now is 491.6 secs Computing kpt #: 200 total cpu time spent up to now is 493.5 secs Computing kpt #: 201 total cpu time spent up to now is 495.4 secs Computing kpt #: 202 total cpu time spent up to now is 497.4 secs Computing kpt #: 203 total cpu time spent up to now is 499.3 secs Computing kpt #: 204 total cpu time spent up to now is 501.4 secs Computing kpt #: 205 total cpu time spent up to now is 503.4 secs Computing kpt #: 206 total cpu time spent up to now is 506.1 secs Computing kpt #: 207 total cpu time spent up to now is 509.3 secs Computing kpt #: 208 total cpu time spent up to now is 512.7 secs Computing kpt #: 209 total cpu time spent up to now is 516.1 secs Computing kpt #: 210 total cpu time spent up to now is 519.4 secs Computing kpt #: 211 total cpu time spent up to now is 522.0 secs Computing kpt #: 212 total cpu time spent up to now is 524.4 secs Computing kpt #: 213 total cpu time spent up to now is 526.4 secs Computing kpt #: 214 total cpu time spent up to now is 528.4 secs Computing kpt #: 215 total cpu time spent up to now is 530.3 secs Computing kpt #: 216 total cpu time spent up to now is 532.3 secs Computing kpt #: 217 total cpu time spent up to now is 534.7 secs Computing kpt #: 218 total cpu time spent up to now is 536.6 secs Computing kpt #: 219 total cpu time spent up to now is 539.0 secs Computing kpt #: 220 total cpu time spent up to now is 541.2 secs Computing kpt #: 221 total cpu time spent up to now is 543.4 secs Computing kpt #: 222 total cpu time spent up to now is 545.7 secs Computing kpt #: 223 total cpu time spent up to now is 548.1 secs Computing kpt #: 224 total cpu time spent up to now is 550.5 secs Computing kpt #: 225 total cpu time spent up to now is 552.9 secs Computing kpt #: 226 total cpu time spent up to now is 555.6 secs Computing kpt #: 227 total cpu time spent up to now is 558.4 secs Computing kpt #: 228 total cpu time spent up to now is 561.2 secs Computing kpt #: 229 total cpu time spent up to now is 564.6 secs Computing kpt #: 230 total cpu time spent up to now is 568.2 secs Computing kpt #: 231 total cpu time spent up to now is 571.6 secs Computing kpt #: 232 total cpu time spent up to now is 575.1 secs Computing kpt #: 233 total cpu time spent up to now is 578.5 secs Computing kpt #: 234 total cpu time spent up to now is 581.9 secs Computing kpt #: 235 total cpu time spent up to now is 585.1 secs Computing kpt #: 236 total cpu time spent up to now is 587.5 secs Computing kpt #: 237 total cpu time spent up to now is 589.9 secs Computing kpt #: 238 total cpu time spent up to now is 592.0 secs Computing kpt #: 239 total cpu time spent up to now is 594.2 secs Computing kpt #: 240 total cpu time spent up to now is 596.1 secs Computing kpt #: 241 total cpu time spent up to now is 598.1 secs Computing kpt #: 242 total cpu time spent up to now is 600.0 secs Computing kpt #: 243 total cpu time spent up to now is 602.0 secs Computing kpt #: 244 total cpu time spent up to now is 603.9 secs Computing kpt #: 245 total cpu time spent up to now is 605.8 secs Computing kpt #: 246 total cpu time spent up to now is 607.7 secs Computing kpt #: 247 total cpu time spent up to now is 609.6 secs Computing kpt #: 248 total cpu time spent up to now is 611.5 secs Computing kpt #: 249 total cpu time spent up to now is 613.4 secs Computing kpt #: 250 total cpu time spent up to now is 615.2 secs Computing kpt #: 251 total cpu time spent up to now is 617.2 secs Computing kpt #: 252 total cpu time spent up to now is 619.1 secs Computing kpt #: 253 total cpu time spent up to now is 621.1 secs Computing kpt #: 254 total cpu time spent up to now is 623.2 secs Computing kpt #: 255 total cpu time spent up to now is 625.2 secs Computing kpt #: 256 total cpu time spent up to now is 627.2 secs Computing kpt #: 257 total cpu time spent up to now is 629.2 secs Computing kpt #: 258 total cpu time spent up to now is 631.2 secs Computing kpt #: 259 total cpu time spent up to now is 633.2 secs Computing kpt #: 260 total cpu time spent up to now is 635.1 secs Computing kpt #: 261 total cpu time spent up to now is 637.0 secs Computing kpt #: 262 total cpu time spent up to now is 638.9 secs Computing kpt #: 263 total cpu time spent up to now is 640.9 secs Computing kpt #: 264 total cpu time spent up to now is 642.8 secs Computing kpt #: 265 total cpu time spent up to now is 644.7 secs Computing kpt #: 266 total cpu time spent up to now is 646.6 secs Computing kpt #: 267 total cpu time spent up to now is 648.5 secs Computing kpt #: 268 total cpu time spent up to now is 650.4 secs Computing kpt #: 269 total cpu time spent up to now is 652.3 secs Computing kpt #: 270 total cpu time spent up to now is 654.1 secs Computing kpt #: 271 total cpu time spent up to now is 656.0 secs Computing kpt #: 272 total cpu time spent up to now is 657.9 secs Computing kpt #: 273 total cpu time spent up to now is 660.8 secs Computing kpt #: 274 total cpu time spent up to now is 664.0 secs Computing kpt #: 275 total cpu time spent up to now is 665.8 secs Computing kpt #: 276 total cpu time spent up to now is 667.6 secs Computing kpt #: 277 total cpu time spent up to now is 669.5 secs Computing kpt #: 278 total cpu time spent up to now is 671.3 secs Computing kpt #: 279 total cpu time spent up to now is 673.1 secs ethr = 1.79E-11, avg # of iterations = 46.0 total cpu time spent up to now is 673.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7087 PWs) bands (ev): -13.6288 -13.6288 -12.6206 -12.6206 -11.8099 -11.8099 -11.8030 -11.8030 -11.2014 -11.2014 -11.0896 -11.0896 -5.4821 -5.4821 -5.4799 -5.4799 -5.4549 -5.4549 -3.4841 -3.4841 0.0525 0.0525 0.1578 0.1578 0.3278 0.3278 0.4861 0.4861 0.7160 0.7160 0.8276 0.8276 2.4600 2.4600 2.8472 2.8472 2.9326 2.9326 2.9483 2.9483 2.9958 2.9958 3.3911 3.3911 3.7790 3.7790 3.7998 3.7998 4.0153 4.0153 4.0292 4.0292 4.1697 4.1697 4.4480 4.4480 4.5146 4.5146 5.5582 5.5582 6.3634 6.3634 6.7122 6.7122 8.3782 8.3782 8.4165 8.4165 k = 0.0000 0.0185-0.0000 ( 7097 PWs) bands (ev): -13.6285 -13.6285 -12.6204 -12.6204 -11.8102 -11.8102 -11.8033 -11.8033 -11.2014 -11.2014 -11.0898 -11.0898 -5.4815 -5.4815 -5.4789 -5.4789 -5.4548 -5.4548 -3.4852 -3.4852 0.0524 0.0524 0.1583 0.1583 0.3277 0.3277 0.4865 0.4865 0.7157 0.7157 0.8287 0.8287 2.4577 2.4577 2.8457 2.8457 2.9324 2.9324 2.9481 2.9481 2.9938 2.9938 3.3934 3.3934 3.7759 3.7759 3.7972 3.7972 4.0141 4.0141 4.0280 4.0280 4.1701 4.1701 4.4536 4.4536 4.5145 4.5145 5.5640 5.5640 6.3604 6.3604 6.7164 6.7164 8.3482 8.3482 8.4456 8.4456 k = 0.0000 0.0370-0.0000 ( 7113 PWs) bands (ev): -13.6275 -13.6275 -12.6201 -12.6201 -11.8114 -11.8114 -11.8042 -11.8042 -11.2014 -11.2014 -11.0904 -11.0904 -5.4808 -5.4808 -5.4749 -5.4749 -5.4546 -5.4546 -3.4886 -3.4886 0.0521 0.0521 0.1599 0.1599 0.3277 0.3277 0.4879 0.4879 0.7150 0.7150 0.8320 0.8320 2.4508 2.4508 2.8413 2.8413 2.9315 2.9315 2.9475 2.9475 2.9883 2.9883 3.4003 3.4003 3.7638 3.7638 3.7927 3.7927 4.0078 4.0078 4.0276 4.0276 4.1716 4.1716 4.4696 4.4696 4.5146 4.5146 5.5809 5.5809 6.3521 6.3521 6.7285 6.7285 8.3042 8.3042 8.4865 8.4865 k = 0.0000 0.0556-0.0000 ( 7122 PWs) bands (ev): -13.6259 -13.6259 -12.6195 -12.6195 -11.8139 -11.8139 -11.8050 -11.8050 -11.2015 -11.2015 -11.0914 -11.0914 -5.4801 -5.4801 -5.4676 -5.4676 -5.4542 -5.4542 -3.4942 -3.4942 0.0515 0.0515 0.1624 0.1624 0.3277 0.3277 0.4901 0.4901 0.7142 0.7142 0.8373 0.8373 2.4396 2.4396 2.8341 2.8341 2.9292 2.9292 2.9468 2.9468 2.9799 2.9799 3.4114 3.4114 3.7400 3.7400 3.7895 3.7895 3.9948 3.9948 4.0304 4.0304 4.1741 4.1741 4.4923 4.4923 4.5170 4.5170 5.6084 5.6084 6.3395 6.3395 6.7473 6.7473 8.2587 8.2587 8.5266 8.5266 k = 0.0000 0.0741-0.0000 ( 7130 PWs) bands (ev): -13.6237 -13.6237 -12.6186 -12.6186 -11.8180 -11.8180 -11.8055 -11.8055 -11.2015 -11.2015 -11.0927 -11.0927 -5.4793 -5.4793 -5.4575 -5.4575 -5.4535 -5.4535 -3.5019 -3.5019 0.0505 0.0505 0.1657 0.1657 0.3277 0.3277 0.4935 0.4935 0.7137 0.7137 0.8441 0.8441 2.4243 2.4243 2.8242 2.8242 2.9241 2.9241 2.9467 2.9467 2.9700 2.9700 3.4262 3.4262 3.7060 3.7060 3.7871 3.7871 3.9772 3.9772 4.0357 4.0357 4.1779 4.1779 4.5051 4.5051 4.5364 4.5364 5.6457 5.6457 6.3243 6.3243 6.7712 6.7712 8.2127 8.2127 8.5639 8.5639 k = 0.0000 0.0926-0.0000 ( 7134 PWs) bands (ev): -13.6209 -13.6209 -12.6175 -12.6175 -11.8235 -11.8235 -11.8057 -11.8057 -11.2015 -11.2015 -11.0944 -11.0944 -5.4783 -5.4783 -5.4531 -5.4531 -5.4442 -5.4442 -3.5116 -3.5116 0.0489 0.0489 0.1696 0.1696 0.3279 0.3279 0.4980 0.4980 0.7140 0.7140 0.8521 0.8521 2.4056 2.4056 2.8119 2.8119 2.9150 2.9150 2.9469 2.9469 2.9605 2.9605 3.4439 3.4439 3.6639 3.6639 3.7849 3.7849 3.9567 3.9567 4.0427 4.0427 4.1827 4.1827 4.5056 4.5056 4.5734 4.5734 5.6915 5.6915 6.3076 6.3076 6.7991 6.7991 8.1667 8.1667 8.5972 8.5972 k = 0.0000 0.1111-0.0000 ( 7146 PWs) bands (ev): -13.6175 -13.6175 -12.6163 -12.6163 -11.8304 -11.8304 -11.8057 -11.8057 -11.2016 -11.2016 -11.0964 -11.0964 -5.4770 -5.4770 -5.4523 -5.4523 -5.4285 -5.4285 -3.5235 -3.5235 0.0465 0.0465 0.1737 0.1737 0.3283 0.3283 0.5040 0.5040 0.7154 0.7154 0.8611 0.8611 2.3840 2.3840 2.7974 2.7974 2.9016 2.9016 2.9458 2.9458 2.9541 2.9541 3.4637 3.4637 3.6152 3.6152 3.7826 3.7826 3.9343 3.9343 4.0511 4.0511 4.1886 4.1886 4.5040 4.5040 4.6164 4.6164 5.7448 5.7448 6.2908 6.2908 6.8297 6.8297 8.1211 8.1211 8.6251 8.6251 k = 0.0000 0.1296-0.0000 ( 7152 PWs) bands (ev): -13.6135 -13.6135 -12.6148 -12.6148 -11.8384 -11.8384 -11.8056 -11.8056 -11.2016 -11.2016 -11.0987 -11.0987 -5.4756 -5.4756 -5.4513 -5.4513 -5.4102 -5.4102 -3.5372 -3.5372 0.0433 0.0433 0.1774 0.1774 0.3293 0.3293 0.5116 0.5116 0.7183 0.7183 0.8708 0.8708 2.3600 2.3600 2.7810 2.7810 2.8846 2.8846 2.9407 2.9407 2.9532 2.9532 3.4836 3.4836 3.5628 3.5628 3.7803 3.7803 3.9104 3.9104 4.0606 4.0606 4.1955 4.1955 4.5015 4.5015 4.6629 4.6629 5.8044 5.8044 6.2746 6.2746 6.8621 6.8621 8.0761 8.0761 8.6466 8.6466 k = 0.0000 0.1481-0.0000 ( 7150 PWs) bands (ev): -13.6091 -13.6091 -12.6131 -12.6131 -11.8474 -11.8474 -11.8055 -11.8055 -11.2017 -11.2017 -11.1013 -11.1013 -5.4741 -5.4741 -5.4503 -5.4503 -5.3896 -5.3896 -3.5527 -3.5527 0.0391 0.0391 0.1803 0.1803 0.3311 0.3311 0.5212 0.5212 0.7227 0.7227 0.8811 0.8811 2.3342 2.3342 2.7630 2.7630 2.8654 2.8654 2.9341 2.9341 2.9546 2.9546 3.4845 3.4845 3.5264 3.5264 3.7779 3.7779 3.8854 3.8854 4.0710 4.0710 4.2031 4.2031 4.4985 4.4985 4.7115 4.7115 5.8692 5.8692 6.2598 6.2598 6.8957 6.8957 8.0320 8.0320 8.6619 8.6619 k = 0.0000 0.1667-0.0000 ( 7140 PWs) bands (ev): -13.6042 -13.6042 -12.6113 -12.6113 -11.8573 -11.8573 -11.8053 -11.8053 -11.2018 -11.2018 -11.1042 -11.1042 -5.4723 -5.4723 -5.4491 -5.4491 -5.3666 -5.3666 -3.5699 -3.5699 0.0339 0.0339 0.1817 0.1817 0.3340 0.3340 0.5330 0.5330 0.7285 0.7285 0.8918 0.8918 2.3071 2.3071 2.7437 2.7437 2.8450 2.8450 2.9271 2.9271 2.9566 2.9566 3.4316 3.4316 3.5414 3.5414 3.7754 3.7754 3.8594 3.8594 4.0821 4.0821 4.2113 4.2113 4.4951 4.4951 4.7612 4.7612 5.9382 5.9382 6.2470 6.2470 6.9297 6.9297 7.9893 7.9893 8.6722 8.6722 k = 0.0000 0.1852-0.0000 ( 7140 PWs) bands (ev): -13.5990 -13.5990 -12.6094 -12.6094 -11.8680 -11.8680 -11.8051 -11.8051 -11.2019 -11.2019 -11.1072 -11.1072 -5.4705 -5.4705 -5.4479 -5.4479 -5.3417 -5.3417 -3.5885 -3.5885 0.0277 0.0277 0.1812 0.1812 0.3382 0.3382 0.5473 0.5473 0.7357 0.7357 0.9028 0.9028 2.2794 2.2794 2.7237 2.7237 2.8242 2.8242 2.9195 2.9195 2.9587 2.9587 3.3681 3.3681 3.5653 3.5653 3.7730 3.7730 3.8325 3.8325 4.0936 4.0936 4.2201 4.2201 4.4913 4.4913 4.8115 4.8115 6.0104 6.0104 6.2367 6.2367 6.9635 6.9635 7.9484 7.9484 8.6791 8.6791 k = 0.0000 0.2037-0.0000 ( 7142 PWs) bands (ev): -13.5934 -13.5934 -12.6073 -12.6073 -11.8792 -11.8792 -11.8048 -11.8048 -11.2020 -11.2020 -11.1104 -11.1104 -5.4685 -5.4685 -5.4467 -5.4467 -5.3151 -5.3151 -3.6086 -3.6086 0.0207 0.0207 0.1784 0.1784 0.3439 0.3439 0.5642 0.5642 0.7439 0.7439 0.9142 0.9142 2.2514 2.2514 2.7033 2.7033 2.8035 2.8035 2.9111 2.9111 2.9608 2.9608 3.3024 3.3024 3.5902 3.5902 3.7706 3.7706 3.8048 3.8048 4.1054 4.1054 4.2293 4.2293 4.4871 4.4871 4.8615 4.8615 6.0845 6.0845 6.2297 6.2297 6.9966 6.9966 7.9101 7.9101 8.6842 8.6842 k = 0.0000 0.2222-0.0000 ( 7152 PWs) bands (ev): -13.5875 -13.5875 -12.6052 -12.6052 -11.8909 -11.8909 -11.8045 -11.8045 -11.2022 -11.2022 -11.1136 -11.1136 -5.4665 -5.4665 -5.4454 -5.4454 -5.2869 -5.2869 -3.6299 -3.6299 0.0128 0.0128 0.1734 0.1734 0.3511 0.3511 0.5838 0.5838 0.7528 0.7528 0.9259 0.9259 2.2236 2.2236 2.6831 2.6831 2.7831 2.7831 2.9014 2.9014 2.9629 2.9629 3.2364 3.2364 3.6150 3.6150 3.7682 3.7682 3.7764 3.7764 4.1172 4.1172 4.2388 4.2388 4.4826 4.4826 4.9106 4.9106 6.1564 6.1564 6.2295 6.2295 7.0284 7.0284 7.8749 7.8749 8.6889 8.6889 k = 0.0000 0.2407-0.0000 ( 7152 PWs) bands (ev): -13.5815 -13.5815 -12.6030 -12.6030 -11.9029 -11.9029 -11.8043 -11.8043 -11.2023 -11.2023 -11.1170 -11.1170 -5.4644 -5.4644 -5.4441 -5.4441 -5.2575 -5.2575 -3.6522 -3.6522 0.0043 0.0043 0.1664 0.1664 0.3596 0.3596 0.6059 0.6059 0.7618 0.7618 0.9381 0.9381 2.1964 2.1964 2.6636 2.6636 2.7633 2.7633 2.8898 2.8898 2.9649 2.9649 3.1716 3.1716 3.6390 3.6390 3.7472 3.7472 3.7663 3.7663 4.1289 4.1289 4.2486 4.2486 4.4777 4.4777 4.9585 4.9585 6.2008 6.2008 6.2608 6.2608 7.0582 7.0582 7.8438 7.8438 8.6936 8.6936 k = 0.0000 0.2593-0.0000 ( 7152 PWs) bands (ev): -13.5753 -13.5753 -12.6008 -12.6008 -11.9150 -11.9150 -11.8040 -11.8040 -11.2025 -11.2025 -11.1203 -11.1203 -5.4622 -5.4622 -5.4428 -5.4428 -5.2272 -5.2272 -3.6752 -3.6752 -0.0047 -0.0047 0.1577 0.1577 0.3691 0.3691 0.6303 0.6303 0.7706 0.7706 0.9508 0.9508 2.1700 2.1700 2.6452 2.6452 2.7444 2.7444 2.8749 2.8749 2.9669 2.9669 3.1103 3.1103 3.6600 3.6600 3.7196 3.7196 3.7643 3.7643 4.1403 4.1403 4.2584 4.2584 4.4726 4.4726 5.0045 5.0045 6.2088 6.2088 6.3317 6.3317 7.0853 7.0853 7.8175 7.8175 8.6988 8.6988 k = 0.0000 0.2778-0.0000 ( 7160 PWs) bands (ev): -13.5691 -13.5691 -12.5986 -12.5986 -11.9271 -11.9271 -11.8037 -11.8037 -11.2027 -11.2027 -11.1237 -11.1237 -5.4600 -5.4600 -5.4416 -5.4416 -5.1963 -5.1963 -3.6988 -3.6988 -0.0140 -0.0140 0.1478 0.1478 0.3793 0.3793 0.6564 0.6564 0.7789 0.7789 0.9642 0.9642 2.1448 2.1448 2.6283 2.6283 2.7263 2.7263 2.8546 2.8546 2.9687 2.9687 3.0552 3.0552 3.6665 3.6665 3.7049 3.7049 3.7625 3.7625 4.1514 4.1514 4.2684 4.2684 4.4671 4.4671 5.0483 5.0483 6.2126 6.2126 6.4093 6.4093 7.1093 7.1093 7.7971 7.7971 8.7043 8.7043 k = 0.0000 0.2963-0.0000 ( 7170 PWs) bands (ev): -13.5630 -13.5630 -12.5964 -12.5964 -11.9390 -11.9390 -11.8034 -11.8034 -11.2029 -11.2029 -11.1269 -11.1269 -5.4579 -5.4579 -5.4404 -5.4404 -5.1652 -5.1652 -3.7228 -3.7228 -0.0233 -0.0233 0.1370 0.1370 0.3900 0.3900 0.6836 0.6836 0.7863 0.7863 0.9783 0.9783 2.1207 2.1207 2.6130 2.6130 2.7094 2.7094 2.8262 2.8262 2.9704 2.9704 3.0100 3.0100 3.6441 3.6441 3.7171 3.7171 3.7611 3.7611 4.1619 4.1619 4.2784 4.2784 4.4614 4.4614 5.0895 5.0895 6.2174 6.2174 6.4873 6.4873 7.1299 7.1299 7.7831 7.7831 8.7095 8.7095 k = 0.0000 0.3148-0.0000 ( 7168 PWs) bands (ev): -13.5570 -13.5570 -12.5943 -12.5943 -11.9505 -11.9505 -11.8031 -11.8031 -11.2031 -11.2031 -11.1301 -11.1301 -5.4557 -5.4557 -5.4392 -5.4392 -5.1343 -5.1343 -3.7467 -3.7467 -0.0325 -0.0325 0.1259 0.1259 0.4010 0.4010 0.7113 0.7113 0.7927 0.7927 0.9932 0.9932 2.0981 2.0981 2.5993 2.5993 2.6936 2.6936 2.7888 2.7888 2.9716 2.9716 2.9772 2.9772 3.6140 3.6140 3.7347 3.7347 3.7605 3.7605 4.1718 4.1718 4.2883 4.2883 4.4555 4.4555 5.1280 5.1280 6.2237 6.2237 6.5637 6.5637 7.1470 7.1470 7.7761 7.7761 8.7130 8.7130 k = 0.0000 0.3333-0.0000 ( 7158 PWs) bands (ev): -13.5512 -13.5512 -12.5923 -12.5923 -11.9615 -11.9615 -11.8029 -11.8029 -11.2033 -11.2033 -11.1330 -11.1330 -5.4536 -5.4536 -5.4382 -5.4382 -5.1039 -5.1039 -3.7702 -3.7702 -0.0414 -0.0414 0.1147 0.1147 0.4118 0.4118 0.7384 0.7384 0.7983 0.7983 1.0091 1.0091 2.0769 2.0769 2.5866 2.5866 2.6791 2.6791 2.7451 2.7451 2.9538 2.9538 2.9737 2.9737 3.5828 3.5828 3.7486 3.7486 3.7636 3.7636 4.1810 4.1810 4.2981 4.2981 4.4493 4.4493 5.1634 5.1634 6.2313 6.2313 6.6371 6.6371 7.1614 7.1614 7.7760 7.7760 8.7119 8.7119 k = 0.0000 0.3519-0.0000 ( 7154 PWs) bands (ev): -13.5457 -13.5457 -12.5904 -12.5904 -11.9718 -11.9718 -11.8026 -11.8026 -11.2035 -11.2035 -11.1358 -11.1358 -5.4517 -5.4517 -5.4372 -5.4372 -5.0746 -5.0746 -3.7931 -3.7931 -0.0498 -0.0498 0.1039 0.1039 0.4224 0.4224 0.7634 0.7634 0.8039 0.8039 1.0257 1.0257 2.0574 2.0574 2.5735 2.5735 2.6648 2.6648 2.7015 2.7015 2.9386 2.9386 2.9750 2.9750 3.5517 3.5517 3.7525 3.7525 3.7755 3.7755 4.1894 4.1894 4.3078 4.3078 4.4430 4.4430 5.1955 5.1955 6.2398 6.2398 6.7058 6.7058 7.1743 7.1743 7.7824 7.7824 8.6996 8.6996 k = 0.0000 0.3704-0.0000 ( 7164 PWs) bands (ev): -13.5407 -13.5407 -12.5887 -12.5887 -11.9814 -11.9814 -11.8024 -11.8024 -11.2038 -11.2038 -11.1383 -11.1383 -5.4499 -5.4499 -5.4364 -5.4364 -5.0469 -5.0469 -3.8149 -3.8149 -0.0576 -0.0576 0.0936 0.0936 0.4325 0.4325 0.7831 0.7831 0.8120 0.8120 1.0430 1.0430 2.0396 2.0396 2.5572 2.5572 2.6448 2.6448 2.6704 2.6704 2.9281 2.9281 2.9762 2.9762 3.5216 3.5216 3.7524 3.7524 3.7899 3.7899 4.1970 4.1970 4.3173 4.3173 4.4364 4.4364 5.2242 5.2242 6.2488 6.2488 6.7678 6.7678 7.1876 7.1876 7.7943 7.7943 8.6679 8.6679 k = 0.0000 0.3889-0.0000 ( 7170 PWs) bands (ev): -13.5361 -13.5361 -12.5871 -12.5871 -11.9899 -11.9899 -11.8022 -11.8022 -11.2040 -11.2040 -11.1405 -11.1405 -5.4482 -5.4482 -5.4356 -5.4356 -5.0213 -5.0213 -3.8352 -3.8352 -0.0646 -0.0646 0.0842 0.0842 0.4418 0.4418 0.7932 0.7932 0.8264 0.8264 1.0605 1.0605 2.0236 2.0236 2.5338 2.5338 2.6193 2.6193 2.6578 2.6578 2.9206 2.9206 2.9773 2.9773 3.4932 3.4932 3.7518 3.7518 3.8031 3.8031 4.2037 4.2037 4.3265 4.3265 4.4297 4.4297 5.2493 5.2493 6.2578 6.2578 6.8209 6.8209 7.2032 7.2032 7.8104 7.8104 8.6178 8.6178 k = 0.0000 0.4074-0.0000 ( 7178 PWs) bands (ev): -13.5321 -13.5321 -12.5858 -12.5858 -11.9974 -11.9974 -11.8020 -11.8020 -11.2042 -11.2042 -11.1425 -11.1425 -5.4467 -5.4467 -5.4351 -5.4351 -4.9984 -4.9984 -3.8535 -3.8535 -0.0708 -0.0708 0.0759 0.0759 0.4501 0.4501 0.7969 0.7969 0.8435 0.8435 1.0777 1.0777 2.0097 2.0097 2.5034 2.5034 2.6015 2.6015 2.6519 2.6519 2.9152 2.9152 2.9782 2.9782 3.4672 3.4672 3.7511 3.7511 3.8146 3.8146 4.2094 4.2094 4.3355 4.3355 4.4229 4.4229 5.2707 5.2707 6.2664 6.2664 6.8634 6.8634 7.2225 7.2225 7.8293 7.8293 8.5598 8.5598 k = 0.0000 0.4259-0.0000 ( 7174 PWs) bands (ev): -13.5287 -13.5287 -12.5846 -12.5846 -12.0037 -12.0037 -11.8019 -11.8019 -11.2044 -11.2044 -11.1441 -11.1441 -5.4454 -5.4454 -5.4346 -5.4346 -4.9786 -4.9786 -3.8693 -3.8693 -0.0759 -0.0759 0.0688 0.0688 0.4572 0.4572 0.7982 0.7982 0.8592 0.8592 1.0938 1.0938 1.9979 1.9979 2.4714 2.4714 2.5906 2.5906 2.6491 2.6491 2.9113 2.9113 2.9790 2.9790 3.4444 3.4444 3.7505 3.7505 3.8241 3.8241 4.2143 4.2143 4.3441 4.3441 4.4160 4.4160 5.2884 5.2884 6.2740 6.2740 6.8946 6.8946 7.2453 7.2453 7.8495 7.8495 8.5021 8.5021 k = 0.0000 0.4444-0.0000 ( 7176 PWs) bands (ev): -13.5260 -13.5260 -12.5837 -12.5837 -12.0087 -12.0087 -11.8018 -11.8018 -11.2045 -11.2045 -11.1454 -11.1454 -5.4444 -5.4444 -5.4342 -5.4342 -4.9626 -4.9626 -3.8822 -3.8822 -0.0800 -0.0800 0.0632 0.0632 0.4630 0.4630 0.7985 0.7985 0.8719 0.8719 1.1079 1.1079 1.9886 1.9886 2.4430 2.4430 2.5836 2.5836 2.6482 2.6482 2.9087 2.9087 2.9795 2.9795 3.4256 3.4256 3.7500 3.7500 3.8316 3.8316 4.2180 4.2180 4.3521 4.3521 4.4093 4.4093 5.3023 5.3023 6.2803 6.2803 6.9157 6.9157 7.2690 7.2690 7.8692 7.8692 8.4498 8.4498 k = 0.0000 0.4630-0.0000 ( 7164 PWs) bands (ev): -13.5240 -13.5240 -12.5831 -12.5831 -12.0123 -12.0123 -11.8017 -11.8017 -11.2046 -11.2046 -11.1463 -11.1463 -5.4436 -5.4436 -5.4340 -5.4340 -4.9508 -4.9508 -3.8917 -3.8917 -0.0830 -0.0830 0.0591 0.0591 0.4672 0.4672 0.7985 0.7985 0.8811 0.8811 1.1188 1.1188 1.9817 1.9817 2.4210 2.4210 2.5790 2.5790 2.6483 2.6483 2.9069 2.9069 2.9800 2.9800 3.4116 3.4116 3.7496 3.7496 3.8370 3.8370 4.2208 4.2208 4.3594 4.3594 4.4030 4.4030 5.3123 5.3123 6.2850 6.2850 6.9287 6.9287 7.2900 7.2900 7.8863 7.8863 8.4075 8.4075 k = 0.0000 0.4815-0.0000 ( 7160 PWs) bands (ev): -13.5228 -13.5228 -12.5827 -12.5827 -12.0145 -12.0145 -11.8016 -11.8016 -11.2047 -11.2047 -11.1468 -11.1468 -5.4431 -5.4431 -5.4338 -5.4338 -4.9435 -4.9435 -3.8975 -3.8975 -0.0847 -0.0847 0.0566 0.0566 0.4698 0.4698 0.7984 0.7984 0.8867 0.8867 1.1258 1.1258 1.9776 1.9776 2.4072 2.4072 2.5764 2.5764 2.6487 2.6487 2.9060 2.9060 2.9802 2.9802 3.4028 3.4028 3.7494 3.7494 3.8402 3.8402 4.2224 4.2224 4.3650 4.3650 4.3980 4.3980 5.3183 5.3183 6.2879 6.2879 6.9355 6.9355 7.3045 7.3045 7.8982 7.8982 8.3797 8.3797 k = 0.0000 0.5000-0.0000 ( 7156 PWs) bands (ev): -13.5224 -13.5224 -12.5825 -12.5825 -12.0152 -12.0152 -11.8016 -11.8016 -11.2047 -11.2047 -11.1470 -11.1470 -5.4429 -5.4429 -5.4338 -5.4338 -4.9411 -4.9411 -3.8995 -3.8995 -0.0853 -0.0853 0.0558 0.0558 0.4707 0.4707 0.7983 0.7983 0.8885 0.8885 1.1283 1.1283 1.9762 1.9762 2.4025 2.4025 2.5755 2.5755 2.6489 2.6489 2.9057 2.9057 2.9803 2.9803 3.3999 3.3999 3.7494 3.7494 3.8413 3.8413 4.2230 4.2230 4.3674 4.3674 4.3958 4.3958 5.3203 5.3203 6.2889 6.2889 6.9376 6.9376 7.3096 7.3096 7.9025 7.9025 8.3699 8.3699 k = 0.0000 0.5000-0.0000 ( 7156 PWs) bands (ev): -13.5224 -13.5224 -12.5825 -12.5825 -12.0152 -12.0152 -11.8016 -11.8016 -11.2047 -11.2047 -11.1470 -11.1470 -5.4429 -5.4429 -5.4338 -5.4338 -4.9411 -4.9411 -3.8995 -3.8995 -0.0853 -0.0853 0.0558 0.0558 0.4707 0.4707 0.7983 0.7983 0.8885 0.8885 1.1283 1.1283 1.9762 1.9762 2.4025 2.4025 2.5755 2.5755 2.6489 2.6489 2.9057 2.9057 2.9803 2.9803 3.3999 3.3999 3.7494 3.7494 3.8413 3.8413 4.2230 4.2230 4.3674 4.3674 4.3958 4.3958 5.3203 5.3203 6.2889 6.2889 6.9376 6.9376 7.3096 7.3096 7.9025 7.9025 8.3699 8.3699 k = 0.0185 0.5000-0.0000 ( 7156 PWs) bands (ev): -13.5221 -13.5221 -12.5824 -12.5824 -12.0152 -12.0152 -11.8023 -11.8023 -11.2047 -11.2047 -11.1472 -11.1472 -5.4413 -5.4413 -5.4348 -5.4348 -4.9399 -4.9399 -3.9006 -3.9006 -0.0896 -0.0896 0.0588 0.0588 0.4720 0.4720 0.8003 0.8003 0.8888 0.8888 1.1295 1.1295 1.9743 1.9743 2.4018 2.4018 2.5684 2.5684 2.6532 2.6532 2.9060 2.9060 2.9816 2.9816 3.3976 3.3976 3.7475 3.7475 3.8402 3.8402 4.2238 4.2238 4.3671 4.3671 4.3956 4.3956 5.3235 5.3235 6.2880 6.2880 6.9400 6.9400 7.3109 7.3109 7.9032 7.9032 8.3699 8.3699 k = 0.0370 0.5000-0.0000 ( 7158 PWs) bands (ev): -13.5211 -13.5211 -12.5821 -12.5821 -12.0151 -12.0151 -11.8043 -11.8043 -11.2047 -11.2047 -11.1478 -11.1478 -5.4380 -5.4380 -5.4366 -5.4366 -4.9364 -4.9364 -3.9037 -3.9037 -0.1014 -0.1014 0.0670 0.0670 0.4758 0.4758 0.8062 0.8062 0.8895 0.8895 1.1334 1.1334 1.9687 1.9687 2.3994 2.3994 2.5503 2.5503 2.6625 2.6625 2.9068 2.9068 2.9856 2.9856 3.3910 3.3910 3.7421 3.7421 3.8369 3.8369 4.2263 4.2263 4.3663 4.3663 4.3950 4.3950 5.3330 5.3330 6.2853 6.2853 6.9468 6.9468 7.3147 7.3147 7.9054 7.9054 8.3701 8.3701 k = 0.0556 0.5000-0.0000 ( 7164 PWs) bands (ev): -13.5194 -13.5194 -12.5815 -12.5815 -12.0150 -12.0150 -11.8075 -11.8075 -11.2047 -11.2047 -11.1487 -11.1487 -5.4432 -5.4432 -5.4288 -5.4288 -4.9307 -4.9307 -3.9088 -3.9088 -0.1190 -0.1190 0.0788 0.0788 0.4823 0.4823 0.8155 0.8155 0.8906 0.8906 1.1400 1.1400 1.9596 1.9596 2.3954 2.3954 2.5261 2.5261 2.6724 2.6724 2.9080 2.9080 2.9921 2.9921 3.3800 3.3800 3.7332 3.7332 3.8314 3.8314 4.2304 4.2304 4.3651 4.3651 4.3939 4.3939 5.3486 5.3486 6.2812 6.2812 6.9576 6.9576 7.3212 7.3212 7.9089 7.9089 8.3702 8.3702 k = 0.0741 0.5000-0.0000 ( 7180 PWs) bands (ev): -13.5171 -13.5171 -12.5807 -12.5807 -12.0148 -12.0148 -11.8121 -11.8121 -11.2047 -11.2047 -11.1500 -11.1500 -5.4501 -5.4501 -5.4180 -5.4180 -4.9231 -4.9231 -3.9159 -3.9159 -0.1408 -0.1408 0.0931 0.0931 0.4913 0.4913 0.8275 0.8275 0.8924 0.8924 1.1496 1.1496 1.9470 1.9470 2.3896 2.3896 2.4980 2.4980 2.6807 2.6807 2.9097 2.9097 3.0013 3.0013 3.3650 3.3650 3.7208 3.7208 3.8238 3.8238 4.2362 4.2362 4.3635 4.3635 4.3925 4.3925 5.3701 5.3701 6.2761 6.2761 6.9714 6.9714 7.3305 7.3305 7.9138 7.9138 8.3700 8.3700 k = 0.0926 0.5000-0.0000 ( 7176 PWs) bands (ev): -13.5142 -13.5142 -12.5797 -12.5797 -12.0145 -12.0145 -11.8178 -11.8178 -11.2046 -11.2046 -11.1516 -11.1516 -5.4585 -5.4585 -5.4041 -5.4041 -4.9136 -4.9136 -3.9251 -3.9251 -0.1656 -0.1656 0.1090 0.1090 0.5028 0.5028 0.8413 0.8413 0.8949 0.8949 1.1626 1.1626 1.9313 1.9313 2.3817 2.3817 2.4672 2.4672 2.6867 2.6867 2.9115 2.9115 3.0128 3.0128 3.3463 3.3463 3.7052 3.7052 3.8141 3.8141 4.2437 4.2437 4.3616 4.3616 4.3906 4.3906 5.3970 5.3970 6.2706 6.2706 6.9872 6.9872 7.3428 7.3428 7.9198 7.9198 8.3694 8.3694 k = 0.1111 0.5000-0.0000 ( 7186 PWs) bands (ev): -13.5108 -13.5108 -12.5785 -12.5785 -12.0142 -12.0142 -11.8247 -11.8247 -11.2046 -11.2046 -11.1535 -11.1535 -5.4683 -5.4683 -5.3873 -5.3873 -4.9027 -4.9027 -3.9363 -3.9363 -0.1925 -0.1925 0.1262 0.1262 0.5168 0.5168 0.8556 0.8556 0.8986 0.8986 1.1792 1.1792 1.9127 1.9127 2.3709 2.3709 2.4348 2.4348 2.6903 2.6903 2.9134 2.9134 3.0266 3.0266 3.3241 3.3241 3.6867 3.6867 3.8023 3.8023 4.2526 4.2526 4.3596 4.3596 4.3884 4.3884 5.4290 5.4290 6.2652 6.2652 7.0039 7.0039 7.3582 7.3582 7.9269 7.9269 8.3680 8.3680 k = 0.1296 0.5000-0.0000 ( 7178 PWs) bands (ev): -13.5068 -13.5068 -12.5771 -12.5771 -12.0138 -12.0138 -11.8326 -11.8326 -11.2045 -11.2045 -11.1557 -11.1557 -5.4791 -5.4791 -5.3677 -5.3677 -4.8905 -4.8905 -3.9496 -3.9496 -0.2210 -0.2210 0.1446 0.1446 0.5332 0.5332 0.8691 0.8691 0.9045 0.9045 1.1997 1.1997 1.8916 1.8916 2.3551 2.3551 2.4031 2.4031 2.6915 2.6915 2.9154 2.9154 3.0422 3.0422 3.2991 3.2991 3.6654 3.6654 3.7887 3.7887 4.2630 4.2630 4.3574 4.3574 4.3858 4.3858 5.4655 5.4655 6.2603 6.2603 7.0204 7.0204 7.3770 7.3770 7.9348 7.9348 8.3653 8.3653 k = 0.1481 0.5000-0.0000 ( 7176 PWs) bands (ev): -13.5022 -13.5022 -12.5756 -12.5756 -12.0134 -12.0134 -11.8414 -11.8414 -11.2044 -11.2044 -11.1582 -11.1582 -5.4907 -5.4907 -5.3453 -5.3453 -4.8774 -4.8774 -3.9647 -3.9647 -0.2505 -0.2505 0.1642 0.1642 0.5516 0.5516 0.8802 0.8802 0.9135 0.9135 1.2241 1.2241 1.8682 1.8682 2.3303 2.3303 2.3764 2.3764 2.6907 2.6907 2.9173 2.9173 3.0591 3.0591 3.2716 3.2716 3.6417 3.6417 3.7733 3.7733 4.2745 4.2745 4.3554 4.3554 4.3829 4.3829 5.5060 5.5060 6.2562 6.2562 7.0359 7.0359 7.3990 7.3990 7.9435 7.9435 8.3609 8.3609 k = 0.1667 0.5000-0.0000 ( 7176 PWs) bands (ev): -13.4972 -13.4972 -12.5739 -12.5739 -12.0129 -12.0129 -11.8511 -11.8511 -11.2044 -11.2044 -11.1609 -11.1609 -5.5028 -5.5028 -5.3204 -5.3204 -4.8635 -4.8635 -3.9819 -3.9819 -0.2806 -0.2806 0.1848 0.1848 0.5720 0.5720 0.8886 0.8886 0.9261 0.9261 1.2523 1.2523 1.8429 1.8429 2.2953 2.2953 2.3557 2.3557 2.6880 2.6880 2.9191 2.9191 3.0767 3.0767 3.2424 3.2424 3.6160 3.6160 3.7563 3.7563 4.2870 4.2870 4.3536 4.3536 4.3797 4.3797 5.5501 5.5501 6.2532 6.2532 7.0496 7.0496 7.4240 7.4240 7.9527 7.9527 8.3544 8.3544 k = 0.1852 0.5000-0.0000 ( 7174 PWs) bands (ev): -13.4919 -13.4919 -12.5720 -12.5720 -12.0124 -12.0124 -11.8615 -11.8615 -11.2043 -11.2043 -11.1638 -11.1638 -5.5152 -5.5152 -5.2930 -5.2930 -4.8492 -4.8492 -4.0010 -4.0010 -0.3110 -0.3110 0.2064 0.2064 0.5938 0.5938 0.8957 0.8957 0.9408 0.9408 1.2839 1.2839 1.8160 1.8160 2.2543 2.2543 2.3372 2.3372 2.6838 2.6838 2.9208 2.9208 3.0939 3.0939 3.2126 3.2126 3.5888 3.5888 3.7380 3.7380 4.3000 4.3000 4.3524 4.3524 4.3763 4.3763 5.5971 5.5971 6.2513 6.2513 7.0613 7.0613 7.4517 7.4517 7.9624 7.9624 8.3454 8.3454 k = 0.2037 0.5000-0.0000 ( 7174 PWs) bands (ev): -13.4861 -13.4861 -12.5701 -12.5701 -12.0119 -12.0119 -11.8725 -11.8725 -11.2042 -11.2042 -11.1668 -11.1668 -5.5278 -5.5278 -5.2633 -5.2633 -4.8346 -4.8346 -4.0220 -4.0220 -0.3413 -0.3413 0.2290 0.2290 0.6168 0.6168 0.9031 0.9031 0.9567 0.9567 1.3186 1.3186 1.7877 1.7877 2.2100 2.2100 2.3182 2.3182 2.6782 2.6782 2.9224 2.9224 3.1082 3.1082 3.1849 3.1849 3.5604 3.5604 3.7186 3.7186 4.3125 4.3125 4.3524 4.3524 4.3727 4.3727 5.6467 5.6467 6.2506 6.2506 7.0706 7.0706 7.4816 7.4816 7.9725 7.9725 8.3339 8.3339 k = 0.2222 0.5000-0.0000 ( 7176 PWs) bands (ev): -13.4801 -13.4801 -12.5681 -12.5681 -12.0114 -12.0114 -11.8839 -11.8839 -11.2041 -11.2041 -11.1700 -11.1700 -5.5404 -5.5404 -5.2315 -5.2315 -4.8200 -4.8200 -4.0449 -4.0449 -0.3711 -0.3711 0.2525 0.2525 0.6404 0.6404 0.9120 0.9120 0.9732 0.9732 1.3558 1.3558 1.7584 1.7584 2.1634 2.1634 2.2978 2.2978 2.6714 2.6714 2.9239 2.9239 3.1104 3.1104 3.1684 3.1684 3.5313 3.5313 3.6984 3.6984 4.3230 4.3230 4.3549 4.3549 4.3692 4.3692 5.6983 5.6983 6.2511 6.2511 7.0774 7.0774 7.5129 7.5129 7.9829 7.9829 8.3200 8.3200 k = 0.2407 0.5000-0.0000 ( 7184 PWs) bands (ev): -13.4739 -13.4739 -12.5661 -12.5661 -12.0109 -12.0109 -11.8956 -11.8956 -11.2041 -11.2041 -11.1732 -11.1732 -5.5527 -5.5527 -5.1976 -5.1976 -4.8055 -4.8055 -4.0696 -4.0696 -0.4003 -0.4003 0.2766 0.2766 0.6639 0.6639 0.9231 0.9231 0.9901 0.9901 1.3949 1.3949 1.7283 1.7283 2.1154 2.1154 2.2754 2.2754 2.6636 2.6636 2.9252 2.9252 3.0909 3.0909 3.1731 3.1731 3.5021 3.5021 3.6776 3.6776 4.3292 4.3292 4.3601 4.3601 4.3676 4.3676 5.7514 5.7514 6.2527 6.2527 7.0818 7.0818 7.5450 7.5450 7.9935 7.9935 8.3043 8.3043 k = 0.2593 0.5000-0.0000 ( 7184 PWs) bands (ev): -13.4676 -13.4676 -12.5640 -12.5640 -12.0103 -12.0103 -11.9075 -11.9075 -11.2040 -11.2040 -11.1765 -11.1765 -5.5648 -5.5648 -5.1619 -5.1619 -4.7913 -4.7913 -4.0961 -4.0961 -0.4286 -0.4286 0.3011 0.3011 0.6869 0.6869 0.9373 0.9373 1.0075 1.0075 1.4354 1.4354 1.6976 1.6976 2.0663 2.0663 2.2509 2.2509 2.6548 2.6548 2.9264 2.9264 3.0613 3.0613 3.1876 3.1876 3.4731 3.4731 3.6566 3.6566 4.3314 4.3314 4.3593 4.3593 4.3761 4.3761 5.8055 5.8055 6.2551 6.2551 7.0838 7.0838 7.5773 7.5773 8.0044 8.0044 8.2873 8.2873 k = 0.2778 0.5000-0.0000 ( 7184 PWs) bands (ev): -13.4612 -13.4612 -12.5619 -12.5619 -12.0098 -12.0098 -11.9193 -11.9193 -11.2039 -11.2039 -11.1797 -11.1797 -5.5763 -5.5763 -5.1246 -5.1246 -4.7776 -4.7776 -4.1243 -4.1243 -0.4557 -0.4557 0.3257 0.3257 0.7088 0.7088 0.9552 0.9552 1.0254 1.0254 1.4764 1.4764 1.6669 1.6669 2.0166 2.0166 2.2243 2.2243 2.6452 2.6452 2.9275 2.9275 3.0295 3.0295 3.2042 3.2042 3.4449 3.4449 3.6357 3.6357 4.3317 4.3317 4.3557 4.3557 4.3894 4.3894 5.8601 5.8601 6.2583 6.2583 7.0834 7.0834 7.6090 7.6090 8.0154 8.0154 8.2700 8.2700 k = 0.2963 0.5000-0.0000 ( 7182 PWs) bands (ev): -13.4549 -13.4549 -12.5599 -12.5599 -12.0093 -12.0093 -11.9310 -11.9310 -11.2038 -11.2038 -11.1829 -11.1829 -5.5873 -5.5873 -5.0859 -5.0859 -4.7644 -4.7644 -4.1541 -4.1541 -0.4815 -0.4815 0.3501 0.3501 0.7295 0.7295 0.9768 0.9768 1.0438 1.0438 1.5170 1.5170 1.6366 1.6366 1.9669 1.9669 2.1954 2.1954 2.6347 2.6347 2.9282 2.9282 2.9979 2.9979 3.2210 3.2210 3.4179 3.4179 3.6151 3.6151 4.3311 4.3311 4.3518 4.3518 4.4035 4.4035 5.9147 5.9147 6.2620 6.2620 7.0808 7.0808 7.6396 7.6396 8.0264 8.0264 8.2532 8.2532 k = 0.3148 0.5000-0.0000 ( 7186 PWs) bands (ev): -13.4488 -13.4488 -12.5579 -12.5579 -12.0088 -12.0088 -11.9423 -11.9423 -11.2037 -11.2037 -11.1860 -11.1860 -5.5977 -5.5977 -5.0460 -5.0460 -4.7520 -4.7520 -4.1855 -4.1855 -0.5056 -0.5056 0.3738 0.3738 0.7489 0.7489 1.0021 1.0021 1.0629 1.0629 1.5535 1.5535 1.6103 1.6103 1.9176 1.9176 2.1644 2.1644 2.6234 2.6234 2.9283 2.9283 2.9678 2.9678 3.2371 3.2371 3.3924 3.3924 3.5951 3.5951 4.3303 4.3303 4.3479 4.3479 4.4175 4.4175 5.9687 5.9687 6.2661 6.2661 7.0761 7.0761 7.6683 7.6683 8.0373 8.0373 8.2378 8.2378 k = 0.3333 0.5000-0.0000 ( 7174 PWs) bands (ev): -13.4428 -13.4428 -12.5560 -12.5560 -12.0083 -12.0083 -11.9531 -11.9531 -11.2037 -11.2037 -11.1890 -11.1890 -5.6072 -5.6072 -5.0050 -5.0050 -4.7403 -4.7403 -4.2182 -4.2182 -0.5280 -0.5280 0.3965 0.3965 0.7675 0.7675 1.0304 1.0304 1.0827 1.0827 1.5596 1.5596 1.6139 1.6139 1.8694 1.8694 2.1316 2.1316 2.6113 2.6113 2.9247 2.9247 2.9430 2.9430 3.2524 3.2524 3.3688 3.3688 3.5760 3.5760 4.3294 4.3294 4.3441 4.3441 4.4310 4.4310 6.0215 6.0215 6.2704 6.2704 7.0694 7.0694 7.6948 7.6948 8.0475 8.0475 8.2249 8.2249 k = 0.3519 0.5000-0.0000 ( 7170 PWs) bands (ev): -13.4372 -13.4372 -12.5543 -12.5543 -12.0078 -12.0078 -11.9632 -11.9632 -11.2036 -11.2036 -11.1918 -11.1918 -5.6159 -5.6159 -4.9633 -4.9633 -4.7296 -4.7296 -4.2523 -4.2523 -0.5486 -0.5486 0.4176 0.4176 0.7855 0.7855 1.0609 1.0609 1.1031 1.1031 1.5342 1.5342 1.6480 1.6480 1.8229 1.8229 2.0972 2.0972 2.5984 2.5984 2.9063 2.9063 2.9352 2.9352 3.2666 3.2666 3.3472 3.3472 3.5580 3.5580 4.3286 4.3286 4.3406 4.3406 4.4436 4.4436 6.0725 6.0725 6.2747 6.2747 7.0609 7.0609 7.7186 7.7186 8.0565 8.0565 8.2155 8.2155 k = 0.3704 0.5000-0.0000 ( 7154 PWs) bands (ev): -13.4320 -13.4320 -12.5526 -12.5526 -12.0074 -12.0074 -11.9726 -11.9726 -11.2035 -11.2035 -11.1943 -11.1943 -5.6238 -5.6238 -4.9212 -4.9212 -4.7199 -4.7199 -4.2875 -4.2875 -0.5670 -0.5670 0.4368 0.4368 0.8035 0.8035 1.0923 1.0923 1.1242 1.1242 1.5049 1.5049 1.6846 1.6846 1.7789 1.7789 2.0619 2.0619 2.5849 2.5849 2.8833 2.8833 2.9345 2.9345 3.2794 3.2794 3.3280 3.3280 3.5415 3.5415 4.3277 4.3277 4.3373 4.3373 4.4552 4.4552 6.1210 6.1210 6.2789 6.2789 7.0509 7.0509 7.7394 7.7394 8.0635 8.0635 8.2106 8.2106 k = 0.3889 0.5000-0.0000 ( 7158 PWs) bands (ev): -13.4272 -13.4272 -12.5512 -12.5512 -12.0071 -12.0071 -11.9810 -11.9810 -11.2035 -11.2035 -11.1966 -11.1966 -5.6308 -5.6308 -4.8789 -4.8789 -4.7113 -4.7113 -4.3235 -4.3235 -0.5833 -0.5833 0.4536 0.4536 0.8215 0.8215 1.1233 1.1233 1.1459 1.1459 1.4756 1.4756 1.7189 1.7189 1.7392 1.7392 2.0261 2.0261 2.5711 2.5711 2.8624 2.8624 2.9347 2.9347 3.2909 3.2909 3.3111 3.3111 3.5266 3.5266 4.3270 4.3270 4.3343 4.3343 4.4655 4.4655 6.1661 6.1661 6.2829 6.2829 7.0399 7.0399 7.7570 7.7570 8.0678 8.0678 8.2108 8.2108 k = 0.4074 0.5000-0.0000 ( 7156 PWs) bands (ev): -13.4231 -13.4231 -12.5499 -12.5499 -12.0067 -12.0067 -11.9884 -11.9884 -11.2034 -11.2034 -11.1986 -11.1986 -5.6367 -5.6367 -4.8371 -4.8371 -4.7039 -4.7039 -4.3601 -4.3601 -0.5973 -0.5973 0.4679 0.4679 0.8394 0.8394 1.1524 1.1524 1.1680 1.1680 1.4471 1.4471 1.7015 1.7015 1.7529 1.7529 1.9909 1.9909 2.5575 2.5575 2.8444 2.8444 2.9350 2.9350 3.2968 3.2968 3.3009 3.3009 3.5135 3.5135 4.3263 4.3263 4.3317 4.3317 4.4745 4.4745 6.2068 6.2068 6.2867 6.2867 7.0284 7.0284 7.7714 7.7714 8.0696 8.0696 8.2156 8.2156 k = 0.4259 0.5000-0.0000 ( 7154 PWs) bands (ev): -13.4196 -13.4196 -12.5488 -12.5488 -12.0065 -12.0065 -11.9945 -11.9945 -11.2034 -11.2034 -11.2002 -11.2002 -5.6416 -5.6416 -4.7962 -4.7962 -4.6978 -4.6978 -4.3964 -4.3964 -0.6088 -0.6088 0.4796 0.4796 0.8565 0.8565 1.1785 1.1785 1.1897 1.1897 1.4201 1.4201 1.6713 1.6713 1.7816 1.7816 1.9573 1.9573 2.5446 2.5446 2.8298 2.8298 2.9353 2.9353 3.2851 3.2851 3.3092 3.3092 3.5025 3.5025 4.3257 4.3257 4.3295 4.3295 4.4820 4.4820 6.2418 6.2418 6.2904 6.2904 7.0171 7.0171 7.7828 7.7828 8.0694 8.0694 8.2236 8.2236 k = 0.4444 0.5000-0.0000 ( 7160 PWs) bands (ev): -13.4168 -13.4168 -12.5480 -12.5480 -12.0063 -12.0063 -11.9994 -11.9994 -11.2034 -11.2034 -11.2015 -11.2015 -5.6455 -5.6455 -4.7575 -4.7575 -4.6929 -4.6929 -4.4317 -4.4317 -0.6179 -0.6179 0.4885 0.4885 0.8719 0.8719 1.2015 1.2015 1.2091 1.2091 1.3953 1.3953 1.6475 1.6475 1.8064 1.8064 1.9267 1.9267 2.5332 2.5332 2.8184 2.8184 2.9356 2.9356 3.2760 3.2760 3.3158 3.3158 3.4937 3.4937 4.3251 4.3251 4.3279 4.3279 4.4879 4.4879 6.2691 6.2691 6.2949 6.2949 7.0070 7.0070 7.7913 7.7913 8.0682 8.0682 8.2329 8.2329 k = 0.4630 0.5000-0.0000 ( 7164 PWs) bands (ev): -13.4147 -13.4147 -12.5474 -12.5474 -12.0062 -12.0062 -12.0029 -12.0029 -11.2034 -11.2034 -11.2025 -11.2025 -5.6483 -5.6483 -4.7231 -4.7231 -4.6893 -4.6893 -4.4636 -4.4636 -0.6244 -0.6244 0.4949 0.4949 0.8843 0.8843 1.2202 1.2202 1.2248 1.2248 1.3738 1.3738 1.6309 1.6309 1.8271 1.8271 1.9003 1.9003 2.5243 2.5243 2.8104 2.8104 2.9358 2.9358 3.2694 3.2694 3.3206 3.3206 3.4873 3.4873 4.3246 4.3246 4.3268 4.3268 4.4921 4.4921 6.2844 6.2844 6.3035 6.3035 6.9988 6.9988 7.7972 7.7972 8.0668 8.0668 8.2414 8.2414 k = 0.4815 0.5000-0.0000 ( 7168 PWs) bands (ev): -13.4135 -13.4135 -12.5470 -12.5470 -12.0064 -12.0064 -12.0049 -12.0049 -11.2035 -11.2035 -11.2029 -11.2029 -5.6500 -5.6500 -4.6981 -4.6981 -4.6863 -4.6863 -4.4879 -4.4879 -0.6284 -0.6284 0.4986 0.4986 0.8924 0.8924 1.2309 1.2309 1.2378 1.2378 1.3581 1.3581 1.6214 1.6214 1.8441 1.8441 1.8790 1.8790 2.5185 2.5185 2.8056 2.8056 2.9360 2.9360 3.2655 3.2655 3.3235 3.3235 3.4834 3.4834 4.3242 4.3242 4.3263 4.3263 4.4947 4.4947 6.2891 6.2891 6.3136 6.3136 6.9935 6.9935 7.8006 7.8006 8.0658 8.0658 8.2473 8.2473 k = 0.5000 0.5000-0.0000 ( 7164 PWs) bands (ev): -13.4131 -13.4131 -12.5469 -12.5469 -12.0066 -12.0066 -12.0053 -12.0053 -11.2035 -11.2035 -11.2031 -11.2031 -5.6505 -5.6505 -4.6903 -4.6903 -4.6832 -4.6832 -4.4976 -4.4976 -0.6297 -0.6297 0.4999 0.4999 0.8953 0.8953 1.2340 1.2340 1.2434 1.2434 1.3520 1.3520 1.6184 1.6184 1.8562 1.8562 1.8653 1.8653 2.5166 2.5166 2.8040 2.8040 2.9360 2.9360 3.2642 3.2642 3.3245 3.3245 3.4820 3.4820 4.3241 4.3241 4.3261 4.3261 4.4956 4.4956 6.2901 6.2901 6.3175 6.3175 6.9916 6.9916 7.8017 7.8017 8.0654 8.0654 8.2494 8.2494 k = 0.5000 0.5000-0.0000 ( 7164 PWs) bands (ev): -13.4131 -13.4131 -12.5469 -12.5469 -12.0066 -12.0066 -12.0053 -12.0053 -11.2035 -11.2035 -11.2031 -11.2031 -5.6505 -5.6505 -4.6903 -4.6903 -4.6832 -4.6832 -4.4976 -4.4976 -0.6297 -0.6297 0.4999 0.4999 0.8953 0.8953 1.2340 1.2340 1.2434 1.2434 1.3520 1.3520 1.6184 1.6184 1.8562 1.8562 1.8653 1.8653 2.5166 2.5166 2.8040 2.8040 2.9360 2.9360 3.2642 3.2642 3.3245 3.3245 3.4820 3.4820 4.3241 4.3241 4.3261 4.3261 4.4956 4.4956 6.2901 6.2901 6.3175 6.3175 6.9916 6.9916 7.8017 7.8017 8.0654 8.0654 8.2494 8.2494 k = 0.4872 0.4872-0.0000 ( 7166 PWs) bands (ev): -13.4135 -13.4135 -12.5470 -12.5470 -12.0063 -12.0063 -12.0050 -12.0050 -11.2035 -11.2035 -11.2029 -11.2029 -5.6500 -5.6500 -4.6972 -4.6972 -4.6868 -4.6868 -4.4883 -4.4883 -0.6284 -0.6284 0.4987 0.4987 0.8925 0.8925 1.2294 1.2294 1.2397 1.2397 1.3577 1.3577 1.6213 1.6213 1.8445 1.8445 1.8786 1.8786 2.5184 2.5184 2.8056 2.8056 2.9360 2.9360 3.2655 3.2655 3.3236 3.3236 3.4833 3.4833 4.3242 4.3242 4.3263 4.3263 4.4948 4.4948 6.2892 6.2892 6.3137 6.3137 6.9934 6.9934 7.8006 7.8006 8.0657 8.0657 8.2474 8.2474 k = 0.4744 0.4744-0.0000 ( 7171 PWs) bands (ev): -13.4147 -13.4147 -12.5473 -12.5473 -12.0053 -12.0053 -12.0040 -12.0040 -11.2034 -11.2034 -11.2025 -11.2025 -5.6484 -5.6484 -4.7196 -4.7196 -4.6918 -4.6918 -4.4645 -4.4645 -0.6247 -0.6247 0.4951 0.4951 0.8847 0.8847 1.2102 1.2102 1.2373 1.2373 1.3716 1.3716 1.6300 1.6300 1.8283 1.8283 1.8996 1.8996 2.5237 2.5237 2.8103 2.8103 2.9359 2.9359 3.2692 3.2692 3.3208 3.3208 3.4870 3.4870 4.3240 4.3240 4.3274 4.3274 4.4923 4.4923 6.2863 6.2863 6.3024 6.3024 6.9985 6.9985 7.7975 7.7975 8.0657 8.0657 8.2425 8.2425 k = 0.4615 0.4615-0.0000 ( 7165 PWs) bands (ev): -13.4166 -13.4166 -12.5479 -12.5479 -12.0036 -12.0036 -12.0023 -12.0023 -11.2033 -11.2033 -11.2016 -11.2016 -5.6457 -5.6457 -4.7505 -4.7505 -4.6987 -4.6987 -4.4325 -4.4325 -0.6184 -0.6184 0.4893 0.4893 0.8727 0.8727 1.1821 1.1821 1.2346 1.2346 1.3892 1.3892 1.6444 1.6444 1.8096 1.8096 1.9264 1.9264 2.5315 2.5315 2.8187 2.8187 2.9357 2.9357 3.2753 3.2753 3.3162 3.3162 3.4931 3.4931 4.3233 4.3233 4.3296 4.3296 4.4881 4.4881 6.2787 6.2787 6.2870 6.2870 7.0061 7.0061 7.7924 7.7924 8.0629 8.0629 8.2378 8.2378 k = 0.4487 0.4487-0.0000 ( 7163 PWs) bands (ev): -13.4194 -13.4194 -12.5488 -12.5488 -12.0014 -12.0014 -11.9999 -11.9999 -11.2033 -11.2033 -11.2004 -11.2004 -5.6421 -5.6421 -4.7852 -4.7852 -4.7080 -4.7080 -4.3964 -4.3964 -0.6096 -0.6096 0.4814 0.4814 0.8576 0.8576 1.1494 1.1494 1.2291 1.2291 1.4082 1.4082 1.6636 1.6636 1.7891 1.7891 1.9592 1.9592 2.5404 2.5404 2.8313 2.8313 2.9354 2.9354 3.2837 3.2837 3.3100 3.3100 3.5013 3.5013 4.3221 4.3221 4.3328 4.3328 4.4823 4.4823 6.2563 6.2563 6.2785 6.2785 7.0154 7.0154 7.7856 7.7856 8.0539 8.0539 8.2374 8.2374 k = 0.4359 0.4359-0.0000 ( 7159 PWs) bands (ev): -13.4228 -13.4228 -12.5498 -12.5498 -11.9986 -11.9986 -11.9969 -11.9969 -11.2033 -11.2033 -11.1988 -11.1988 -5.6374 -5.6374 -4.8216 -4.8216 -4.7199 -4.7199 -4.3583 -4.3583 -0.5984 -0.5984 0.4716 0.4716 0.8405 0.8405 1.1140 1.1140 1.2199 1.2199 1.4281 1.4281 1.6834 1.6834 1.7711 1.7711 1.9974 1.9974 2.5490 2.5490 2.8486 2.8486 2.9351 2.9351 3.2940 3.2940 3.3025 3.3025 3.5115 3.5115 4.3205 4.3205 4.3369 4.3369 4.4749 4.4749 6.2261 6.2261 6.2710 6.2710 7.0252 7.0252 7.7771 7.7771 8.0360 8.0360 8.2448 8.2448 k = 0.4231 0.4231-0.0000 ( 7159 PWs) bands (ev): -13.4270 -13.4270 -12.5511 -12.5511 -11.9953 -11.9953 -11.9932 -11.9932 -11.2032 -11.2032 -11.1969 -11.1969 -5.6319 -5.6319 -4.8587 -4.8587 -4.7342 -4.7342 -4.3193 -4.3193 -0.5848 -0.5848 0.4601 0.4601 0.8224 0.8224 1.0770 1.0770 1.2065 1.2065 1.4484 1.4484 1.6901 1.6901 1.7697 1.7697 2.0402 2.0402 2.5564 2.5564 2.8708 2.8708 2.9350 2.9350 3.2929 3.2929 3.3070 3.3070 3.5232 3.5232 4.3185 4.3185 4.3417 4.3417 4.4658 4.4658 6.1910 6.1910 6.2625 6.2625 7.0344 7.0344 7.7668 7.7668 8.0097 8.0097 8.2606 8.2606 k = 0.4103 0.4103-0.0000 ( 7155 PWs) bands (ev): -13.4319 -13.4319 -12.5526 -12.5526 -11.9914 -11.9914 -11.9889 -11.9889 -11.2032 -11.2032 -11.1947 -11.1947 -5.6255 -5.6255 -4.8958 -4.8958 -4.7509 -4.7509 -4.2798 -4.2798 -0.5689 -0.5689 0.4471 0.4471 0.8038 0.8038 1.0391 1.0391 1.1890 1.1890 1.4690 1.4690 1.6740 1.6740 1.7948 1.7948 2.0868 2.0868 2.5619 2.5619 2.8975 2.8975 2.9355 2.9355 3.2827 3.2827 3.3212 3.3212 3.5362 3.5362 4.3161 4.3161 4.3472 4.3472 4.4552 4.4552 6.1520 6.1520 6.2528 6.2528 7.0419 7.0419 7.7542 7.7542 7.9771 7.9771 8.2832 8.2832 k = 0.3974 0.3974-0.0000 ( 7159 PWs) bands (ev): -13.4373 -13.4373 -12.5543 -12.5543 -11.9869 -11.9869 -11.9840 -11.9840 -11.2032 -11.2032 -11.1921 -11.1921 -5.6184 -5.6184 -4.9326 -4.9326 -4.7698 -4.7698 -4.2403 -4.2403 -0.5508 -0.5508 0.4332 0.4332 0.7853 0.7853 1.0009 1.0009 1.1677 1.1677 1.4887 1.4887 1.6483 1.6483 1.8339 1.8339 2.1366 2.1366 2.5655 2.5655 2.9228 2.9228 2.9419 2.9419 3.2714 3.2714 3.3371 3.3371 3.5502 3.5502 4.3134 4.3134 4.3533 4.3533 4.4429 4.4429 6.1097 6.1097 6.2422 6.2422 7.0468 7.0468 7.7385 7.7385 7.9413 7.9413 8.3110 8.3110 k = 0.3846 0.3846-0.0000 ( 7165 PWs) bands (ev): -13.4434 -13.4434 -12.5562 -12.5562 -11.9820 -11.9820 -11.9786 -11.9786 -11.2032 -11.2032 -11.1893 -11.1893 -5.6106 -5.6106 -4.9688 -4.9688 -4.7908 -4.7908 -4.2011 -4.2011 -0.5305 -0.5305 0.4184 0.4184 0.7671 0.7671 0.9628 0.9628 1.1432 1.1432 1.5045 1.5045 1.6239 1.6239 1.8794 1.8794 2.1887 2.1887 2.5677 2.5677 2.9293 2.9293 2.9712 2.9712 3.2592 3.2592 3.3543 3.3543 3.5649 3.5649 4.3103 4.3103 4.3597 4.3597 4.4291 4.4291 6.0647 6.0647 6.2309 6.2309 7.0483 7.0483 7.7185 7.7185 7.9053 7.9053 8.3424 8.3424 k = 0.3718 0.3718-0.0000 ( 7169 PWs) bands (ev): -13.4499 -13.4499 -12.5582 -12.5582 -11.9766 -11.9766 -11.9727 -11.9727 -11.2031 -11.2031 -11.1862 -11.1862 -5.6022 -5.6022 -5.0043 -5.0043 -4.8137 -4.8137 -4.1622 -4.1622 -0.5082 -0.5082 0.4032 0.4032 0.7492 0.7492 0.9251 0.9251 1.1159 1.1159 1.5083 1.5083 1.6109 1.6109 1.9285 1.9285 2.2426 2.2426 2.5689 2.5689 2.9297 2.9297 3.0097 3.0097 3.2465 3.2465 3.3726 3.3726 3.5798 3.5798 4.3068 4.3068 4.3664 4.3664 4.4140 4.4140 6.0173 6.0173 6.2191 6.2191 7.0456 7.0456 7.6931 7.6931 7.8716 7.8716 8.3762 8.3762 k = 0.3590 0.3590-0.0000 ( 7171 PWs) bands (ev): -13.4570 -13.4570 -12.5605 -12.5605 -11.9708 -11.9708 -11.9663 -11.9663 -11.2031 -11.2031 -11.1828 -11.1828 -5.5933 -5.5933 -5.0388 -5.0388 -4.8384 -4.8384 -4.1238 -4.1238 -0.4840 -0.4840 0.3878 0.3878 0.7317 0.7317 0.8881 0.8881 1.0865 1.0865 1.4927 1.4927 1.6178 1.6178 1.9799 1.9799 2.2976 2.2976 2.5701 2.5701 2.9293 2.9293 3.0513 3.0513 3.2335 3.2335 3.3919 3.3919 3.5946 3.5946 4.3029 4.3029 4.3727 4.3727 4.3980 4.3980 5.9678 5.9678 6.2071 6.2071 7.0380 7.0380 7.6614 7.6614 7.8422 7.8422 8.4111 8.4111 k = 0.3462 0.3462-0.0000 ( 7171 PWs) bands (ev): -13.4644 -13.4644 -12.5628 -12.5628 -11.9645 -11.9645 -11.9596 -11.9596 -11.2030 -11.2030 -11.1792 -11.1792 -5.5840 -5.5840 -5.0723 -5.0723 -4.8646 -4.8646 -4.0860 -4.0860 -0.4580 -0.4580 0.3726 0.3726 0.7146 0.7146 0.8522 0.8522 1.0554 1.0554 1.4641 1.4641 1.6389 1.6389 2.0327 2.0327 2.3529 2.3529 2.5722 2.5722 2.9288 2.9288 3.0942 3.0942 3.2211 3.2211 3.4119 3.4119 3.6090 3.6090 4.2985 4.2985 4.3731 4.3731 4.3871 4.3871 5.9163 5.9163 6.1952 6.1952 7.0250 7.0250 7.6242 7.6242 7.8178 7.8178 8.4463 8.4463 k = 0.3333 0.3333-0.0000 ( 7179 PWs) bands (ev): -13.4722 -13.4722 -12.5654 -12.5654 -11.9579 -11.9579 -11.9526 -11.9526 -11.2030 -11.2030 -11.1754 -11.1754 -5.5744 -5.5744 -5.1046 -5.1046 -4.8924 -4.8924 -4.0490 -4.0490 -0.4305 -0.4305 0.3576 0.3576 0.6977 0.6977 0.8175 0.8175 1.0233 1.0233 1.4301 1.4301 1.6668 1.6668 2.0862 2.0862 2.4071 2.4071 2.5768 2.5768 2.9283 2.9283 3.1351 3.1351 3.2120 3.2120 3.4325 3.4325 3.6227 3.6227 4.2936 4.2936 4.3573 4.3573 4.3912 4.3912 5.8630 5.8630 6.1836 6.1836 7.0058 7.0058 7.5830 7.5830 7.7977 7.7977 8.4807 8.4807 k = 0.3205 0.3205-0.0000 ( 7169 PWs) bands (ev): -13.4803 -13.4803 -12.5680 -12.5680 -11.9508 -11.9508 -11.9453 -11.9453 -11.2029 -11.2029 -11.1713 -11.1713 -5.5647 -5.5647 -5.1358 -5.1358 -4.9212 -4.9212 -4.0126 -4.0126 -0.4016 -0.4016 0.3430 0.3430 0.6810 0.6810 0.7843 0.7843 0.9905 0.9905 1.3941 1.3941 1.6983 1.6983 2.1397 2.1397 2.4575 2.4575 2.5869 2.5869 2.9278 2.9278 3.1608 3.1608 3.2191 3.2191 3.4534 3.4534 3.6352 3.6352 4.2879 4.2879 4.3379 4.3379 4.3983 4.3983 5.8081 5.8081 6.1727 6.1727 6.9800 6.9800 7.5400 7.5400 7.7812 7.7812 8.5137 8.5137 k = 0.3077 0.3077-0.0000 ( 7161 PWs) bands (ev): -13.4887 -13.4887 -12.5707 -12.5707 -11.9435 -11.9435 -11.9377 -11.9377 -11.2029 -11.2029 -11.1672 -11.1672 -5.5550 -5.5550 -5.1656 -5.1656 -4.9511 -4.9511 -3.9771 -3.9771 -0.3716 -0.3716 0.3290 0.3290 0.6640 0.6640 0.7528 0.7528 0.9577 0.9577 1.3574 1.3574 1.7323 1.7323 2.1928 2.1928 2.4988 2.4988 2.6079 2.6079 2.9276 2.9276 3.1592 3.1592 3.2541 3.2541 3.4746 3.4746 3.6464 3.6464 4.2808 4.2808 4.3182 4.3182 4.4058 4.4058 5.7515 5.7515 6.1627 6.1627 6.9473 6.9473 7.4969 7.4969 7.7674 7.7674 8.5447 8.5447 k = 0.2949 0.2949-0.0000 ( 7165 PWs) bands (ev): -13.4972 -13.4972 -12.5735 -12.5735 -11.9360 -11.9360 -11.9300 -11.9300 -11.2028 -11.2028 -11.1629 -11.1629 -5.5454 -5.5454 -5.1942 -5.1942 -4.9819 -4.9819 -3.9425 -3.9425 -0.3406 -0.3406 0.3155 0.3155 0.6466 0.6466 0.7235 0.7235 0.9252 0.9252 1.3206 1.3206 1.7680 1.7680 2.2448 2.2448 2.5265 2.5265 2.6446 2.6446 2.9277 2.9277 3.1477 3.1477 3.2994 3.2994 3.4958 3.4958 3.6558 3.6558 4.2705 4.2705 4.3004 4.3004 4.4133 4.4133 5.6933 5.6933 6.1538 6.1538 6.9075 6.9075 7.4547 7.4547 7.7563 7.7563 8.5732 8.5732 k = 0.2821 0.2821-0.0000 ( 7175 PWs) bands (ev): -13.5058 -13.5058 -12.5764 -12.5764 -11.9282 -11.9282 -11.9222 -11.9222 -11.2027 -11.2027 -11.1584 -11.1584 -5.5360 -5.5360 -5.2214 -5.2214 -5.0132 -5.0132 -3.9087 -3.9087 -0.3090 -0.3090 0.3028 0.3028 0.6283 0.6283 0.6965 0.6965 0.8937 0.8937 1.2842 1.2842 1.8050 1.8050 2.2954 2.2954 2.5444 2.5444 2.6931 2.6931 2.9284 2.9284 3.1341 3.1341 3.3470 3.3470 3.5169 3.5169 3.6633 3.6633 4.2547 4.2547 4.2871 4.2871 4.4209 4.4209 5.6336 5.6336 6.1462 6.1462 6.8608 6.8608 7.4140 7.4140 7.7480 7.7480 8.5993 8.5993 k = 0.2692 0.2692-0.0000 ( 7171 PWs) bands (ev): -13.5145 -13.5145 -12.5794 -12.5794 -11.9202 -11.9202 -11.9143 -11.9143 -11.2027 -11.2027 -11.1539 -11.1539 -5.5269 -5.5269 -5.2471 -5.2471 -5.0450 -5.0450 -3.8759 -3.8759 -0.2770 -0.2770 0.2906 0.2906 0.6087 0.6087 0.6723 0.6723 0.8636 0.8636 1.2485 1.2485 1.8431 1.8431 2.3439 2.3439 2.5589 2.5589 2.7468 2.7468 2.9303 2.9303 3.1199 3.1199 3.3951 3.3951 3.5378 3.5378 3.6686 3.6686 4.2342 4.2342 4.2778 4.2778 4.4283 4.4283 5.5726 5.5726 6.1401 6.1401 6.8079 6.8079 7.3749 7.3749 7.7427 7.7427 8.6230 8.6230 k = 0.2564 0.2564-0.0000 ( 7181 PWs) bands (ev): -13.5232 -13.5232 -12.5823 -12.5823 -11.9121 -11.9121 -11.9065 -11.9065 -11.2026 -11.2026 -11.1494 -11.1494 -5.5181 -5.5181 -5.2714 -5.2714 -5.0769 -5.0769 -3.8440 -3.8440 -0.2450 -0.2450 0.2791 0.2791 0.5877 0.5877 0.6509 0.6509 0.8355 0.8355 1.2135 1.2135 1.8820 1.8820 2.3900 2.3900 2.5739 2.5739 2.8008 2.8008 2.9350 2.9350 3.1055 3.1055 3.4430 3.4430 3.5585 3.5585 3.6717 3.6717 4.2115 4.2115 4.2703 4.2703 4.4355 4.4355 5.5102 5.5102 6.1355 6.1355 6.7493 6.7493 7.3371 7.3371 7.7408 7.7408 8.6444 8.6444 k = 0.2436 0.2436-0.0000 ( 7175 PWs) bands (ev): -13.5318 -13.5318 -12.5853 -12.5853 -11.9040 -11.9040 -11.8986 -11.8986 -11.2025 -11.2025 -11.1448 -11.1448 -5.5099 -5.5099 -5.2942 -5.2942 -5.1088 -5.1088 -3.8131 -3.8131 -0.2131 -0.2131 0.2681 0.2681 0.5655 0.5655 0.6319 0.6319 0.8097 0.8097 1.1795 1.1795 1.9214 1.9214 2.4331 2.4331 2.5910 2.5910 2.8493 2.8493 2.9466 2.9466 3.0913 3.0913 3.4901 3.4901 3.5789 3.5789 3.6723 3.6723 4.1882 4.1882 4.2635 4.2635 4.4425 4.4425 5.4466 5.4466 6.1324 6.1324 6.6862 6.6862 7.3002 7.3002 7.7427 7.7427 8.6638 8.6638 k = 0.2308 0.2308-0.0000 ( 7173 PWs) bands (ev): -13.5403 -13.5403 -12.5883 -12.5883 -11.8958 -11.8958 -11.8909 -11.8909 -11.2024 -11.2024 -11.1402 -11.1402 -5.5022 -5.5022 -5.3155 -5.3155 -5.1405 -5.1405 -3.7832 -3.7832 -0.1819 -0.1819 0.2577 0.2577 0.5425 0.5425 0.6149 0.6149 0.7867 0.7867 1.1466 1.1466 1.9610 1.9610 2.4727 2.4727 2.6111 2.6111 2.8823 2.8823 2.9747 2.9747 3.0775 3.0775 3.5355 3.5355 3.5989 3.5989 3.6709 3.6709 4.1649 4.1649 4.2568 4.2568 4.4493 4.4493 5.3820 5.3820 6.1308 6.1308 6.6195 6.6195 7.2638 7.2638 7.7488 7.7488 8.6812 8.6812 k = 0.2179 0.2179-0.0000 ( 7165 PWs) bands (ev): -13.5487 -13.5487 -12.5912 -12.5912 -11.8876 -11.8876 -11.8833 -11.8833 -11.2024 -11.2024 -11.1357 -11.1357 -5.4951 -5.4951 -5.3353 -5.3353 -5.1718 -5.1718 -3.7543 -3.7543 -0.1515 -0.1515 0.2478 0.2478 0.5192 0.5192 0.5994 0.5994 0.7667 0.7667 1.1149 1.1149 2.0008 2.0008 2.5089 2.5089 2.6345 2.6345 2.8974 2.8974 3.0210 3.0210 3.0641 3.0641 3.5776 3.5776 3.6189 3.6189 3.6683 3.6683 4.1424 4.1424 4.2503 4.2503 4.4558 4.4558 5.3164 5.3164 6.1305 6.1305 6.5502 6.5502 7.2274 7.2274 7.7592 7.7592 8.6968 8.6968 k = 0.2051 0.2051-0.0000 ( 7161 PWs) bands (ev): -13.5568 -13.5568 -12.5941 -12.5941 -11.8796 -11.8796 -11.8759 -11.8759 -11.2023 -11.2023 -11.1312 -11.1312 -5.4887 -5.4887 -5.3536 -5.3536 -5.2025 -5.2025 -3.7265 -3.7265 -0.1223 -0.1223 0.2384 0.2384 0.4959 0.4959 0.5853 0.5853 0.7499 0.7499 1.0844 1.0844 2.0404 2.0404 2.5420 2.5420 2.6608 2.6608 2.9040 2.9040 3.0504 3.0504 3.0770 3.0770 3.6106 3.6106 3.6392 3.6392 3.6697 3.6697 4.1209 4.1209 4.2437 4.2437 4.4621 4.4621 5.2502 5.2502 6.1310 6.1310 6.4798 6.4798 7.1908 7.1908 7.7742 7.7742 8.7106 8.7106 k = 0.1923 0.1923-0.0000 ( 7161 PWs) bands (ev): -13.5647 -13.5647 -12.5969 -12.5969 -11.8717 -11.8717 -11.8687 -11.8687 -11.2022 -11.2022 -11.1269 -11.1269 -5.4831 -5.4831 -5.3704 -5.3704 -5.2323 -5.2323 -3.6999 -3.6999 -0.0947 -0.0947 0.2294 0.2294 0.4729 0.4729 0.5722 0.5722 0.7362 0.7362 1.0553 1.0553 2.0796 2.0796 2.5726 2.5726 2.6890 2.6890 2.9076 2.9076 3.0382 3.0382 3.1351 3.1351 3.6235 3.6235 3.6550 3.6550 3.6906 3.6906 4.1008 4.1008 4.2372 4.2372 4.4680 4.4680 5.1835 5.1835 6.1313 6.1313 6.4098 6.4098 7.1540 7.1540 7.7936 7.7936 8.7226 8.7226 k = 0.1795 0.1795-0.0000 ( 7165 PWs) bands (ev): -13.5723 -13.5723 -12.5996 -12.5996 -11.8639 -11.8639 -11.8618 -11.8618 -11.2021 -11.2021 -11.1226 -11.1226 -5.4782 -5.4782 -5.3857 -5.3857 -5.2612 -5.2612 -3.6744 -3.6744 -0.0690 -0.0690 0.2210 0.2210 0.4506 0.4506 0.5603 0.5603 0.7254 0.7254 1.0277 1.0277 2.1184 2.1184 2.6016 2.6016 2.7181 2.7181 2.9102 2.9102 3.0264 3.0264 3.1944 3.1944 3.6178 3.6178 3.6699 3.6699 3.7257 3.7257 4.0825 4.0825 4.2307 4.2307 4.4736 4.4736 5.1166 5.1166 6.1293 6.1293 6.3431 6.3431 7.1168 7.1168 7.8174 7.8174 8.7325 8.7325 k = 0.1667 0.1667-0.0000 ( 7173 PWs) bands (ev): -13.5795 -13.5795 -12.6022 -12.6022 -11.8565 -11.8565 -11.8552 -11.8552 -11.2020 -11.2020 -11.1185 -11.1185 -5.4741 -5.4741 -5.3996 -5.3996 -5.2889 -5.2889 -3.6502 -3.6502 -0.0454 -0.0454 0.2131 0.2131 0.4293 0.4293 0.5495 0.5495 0.7172 0.7172 1.0015 1.0015 2.1565 2.1565 2.6296 2.6296 2.7472 2.7472 2.9126 2.9126 3.0152 3.0152 3.2538 3.2538 3.6045 3.6045 3.6853 3.6853 3.7628 3.7628 4.0661 4.0661 4.2242 4.2242 4.4788 4.4788 5.0498 5.0498 6.1194 6.1194 6.2860 6.2860 7.0794 7.0794 7.8453 7.8453 8.7401 8.7401 k = 0.1538 0.1538-0.0000 ( 7165 PWs) bands (ev): -13.5864 -13.5864 -12.6047 -12.6047 -11.8493 -11.8493 -11.8489 -11.8489 -11.2020 -11.2020 -11.1146 -11.1146 -5.4707 -5.4707 -5.4119 -5.4119 -5.3153 -5.3153 -3.6273 -3.6273 -0.0244 -0.0244 0.2058 0.2058 0.4093 0.4093 0.5398 0.5398 0.7115 0.7115 0.9770 0.9770 2.1936 2.1936 2.6569 2.6569 2.7754 2.7754 2.9152 2.9152 3.0047 3.0047 3.3127 3.3127 3.5878 3.5878 3.7000 3.7000 3.7989 3.7989 4.0518 4.0518 4.2179 4.2179 4.4837 4.4837 4.9835 4.9835 6.0917 6.0917 6.2488 6.2488 7.0419 7.0419 7.8770 7.8770 8.7446 8.7446 k = 0.1410 0.1410-0.0000 ( 7157 PWs) bands (ev): -13.5928 -13.5928 -12.6071 -12.6071 -11.8430 -11.8430 -11.8425 -11.8425 -11.2019 -11.2019 -11.1109 -11.1109 -5.4682 -5.4682 -5.4228 -5.4228 -5.3402 -5.3402 -3.6057 -3.6057 -0.0060 -0.0060 0.1991 0.1991 0.3911 0.3911 0.5311 0.5311 0.7078 0.7078 0.9541 0.9541 2.2297 2.2297 2.6834 2.6834 2.8024 2.8024 2.9182 2.9182 2.9950 2.9950 3.3706 3.3706 3.5692 3.5692 3.7139 3.7139 3.8331 3.8331 4.0397 4.0397 4.2116 4.2116 4.4882 4.4882 4.9180 4.9180 6.0429 6.0429 6.2354 6.2354 7.0044 7.0044 7.9121 7.9121 8.7448 8.7448 k = 0.1282 0.1282-0.0000 ( 7145 PWs) bands (ev): -13.5988 -13.5988 -12.6093 -12.6093 -11.8375 -11.8375 -11.8361 -11.8361 -11.2018 -11.2018 -11.1074 -11.1074 -5.4665 -5.4665 -5.4320 -5.4320 -5.3634 -5.3634 -3.5857 -3.5857 0.0096 0.0096 0.1930 0.1930 0.3750 0.3750 0.5234 0.5234 0.7057 0.7057 0.9329 0.9329 2.2645 2.2645 2.7091 2.7091 2.8277 2.8277 2.9217 2.9217 2.9860 2.9860 3.4265 3.4265 3.5498 3.5498 3.7267 3.7267 3.8649 3.8649 4.0299 4.0299 4.2056 4.2056 4.4924 4.4924 4.8539 4.8539 5.9823 5.9823 6.2372 6.2372 6.9673 6.9673 7.9502 7.9502 8.7388 8.7388 k = 0.1154 0.1154-0.0000 ( 7147 PWs) bands (ev): -13.6043 -13.6043 -12.6113 -12.6113 -11.8324 -11.8324 -11.8301 -11.8301 -11.2017 -11.2017 -11.1042 -11.1042 -5.4659 -5.4659 -5.4397 -5.4397 -5.3848 -5.3848 -3.5672 -3.5672 0.0222 0.0222 0.1875 0.1875 0.3612 0.3612 0.5164 0.5164 0.7051 0.7051 0.9135 0.9135 2.2975 2.2975 2.7335 2.7335 2.8510 2.8510 2.9261 2.9261 2.9778 2.9778 3.4769 3.4769 3.5336 3.5336 3.7384 3.7384 3.8942 3.8942 4.0223 4.0223 4.1997 4.1997 4.4961 4.4961 4.7917 4.7917 5.9181 5.9181 6.2463 6.2463 6.9306 6.9306 7.9909 7.9909 8.7248 8.7248 k = 0.1026 0.1026-0.0000 ( 7145 PWs) bands (ev): -13.6094 -13.6094 -12.6132 -12.6132 -11.8278 -11.8278 -11.8247 -11.8247 -11.2017 -11.2017 -11.1012 -11.1012 -5.4664 -5.4664 -5.4454 -5.4454 -5.4044 -5.4044 -3.5504 -3.5504 0.0321 0.0321 0.1824 0.1824 0.3501 0.3501 0.5103 0.5103 0.7055 0.7055 0.8959 0.8959 2.3286 2.3286 2.7563 2.7563 2.8721 2.8721 2.9315 2.9315 2.9706 2.9706 3.4939 3.4939 3.5482 3.5482 3.7491 3.7491 3.9207 3.9207 4.0169 4.0169 4.1942 4.1942 4.4994 4.4994 4.7320 4.7320 5.8544 5.8544 6.2594 6.2594 6.8949 6.8949 8.0335 8.0335 8.7023 8.7023 k = 0.0897 0.0897-0.0000 ( 7137 PWs) bands (ev): -13.6138 -13.6138 -12.6149 -12.6149 -11.8237 -11.8237 -11.8198 -11.8198 -11.2016 -11.2016 -11.0986 -11.0986 -5.4682 -5.4682 -5.4493 -5.4493 -5.4219 -5.4219 -3.5353 -3.5353 0.0395 0.0395 0.1776 0.1776 0.3415 0.3415 0.5049 0.5049 0.7067 0.7067 0.8802 0.8802 2.3573 2.3573 2.7771 2.7771 2.8903 2.8903 2.9383 2.9383 2.9643 2.9643 3.4781 3.4781 3.5932 3.5932 3.7586 3.7586 3.9444 3.9444 4.0137 4.0137 4.1890 4.1890 4.5023 4.5023 4.6754 4.6754 5.7935 5.7935 6.2748 6.2748 6.8603 6.8603 8.0777 8.0777 8.6734 8.6734 k = 0.0769 0.0769-0.0000 ( 7135 PWs) bands (ev): -13.6178 -13.6178 -12.6164 -12.6164 -11.8201 -11.8201 -11.8154 -11.8154 -11.2016 -11.2016 -11.0963 -11.0963 -5.4708 -5.4708 -5.4516 -5.4516 -5.4373 -5.4373 -3.5220 -3.5220 0.0447 0.0447 0.1732 0.1732 0.3355 0.3355 0.5001 0.5001 0.7083 0.7083 0.8665 0.8665 2.3832 2.3832 2.7955 2.7955 2.9051 2.9051 2.9464 2.9464 2.9595 2.9595 3.4591 3.4591 3.6386 3.6386 3.7670 3.7670 3.9649 3.9649 4.0124 4.0124 4.1843 4.1843 4.5046 4.5046 4.6230 4.6230 5.7369 5.7369 6.2915 6.2915 6.8275 6.8275 8.1230 8.1230 8.6400 8.6400 k = 0.0641 0.0641-0.0000 ( 7133 PWs) bands (ev): -13.6211 -13.6211 -12.6176 -12.6176 -11.8170 -11.8170 -11.8117 -11.8117 -11.2015 -11.2015 -11.0943 -11.0943 -5.4736 -5.4736 -5.4531 -5.4531 -5.4502 -5.4502 -3.5106 -3.5106 0.0481 0.0481 0.1690 0.1690 0.3315 0.3315 0.4960 0.4960 0.7101 0.7101 0.8547 0.8547 2.4058 2.4058 2.8113 2.8113 2.9163 2.9163 2.9514 2.9514 2.9606 2.9606 3.4408 3.4408 3.6802 3.6802 3.7743 3.7743 3.9823 3.9823 4.0130 4.0130 4.1801 4.1801 4.5062 4.5062 4.5758 4.5758 5.6860 5.6860 6.3086 6.3086 6.7970 6.7970 8.1689 8.1689 8.6037 8.6037 k = 0.0513 0.0513-0.0000 ( 7125 PWs) bands (ev): -13.6239 -13.6239 -12.6187 -12.6187 -11.8145 -11.8145 -11.8086 -11.8086 -11.2015 -11.2015 -11.0926 -11.0926 -5.4762 -5.4762 -5.4615 -5.4615 -5.4536 -5.4536 -3.5012 -3.5012 0.0502 0.0502 0.1653 0.1653 0.3293 0.3293 0.4925 0.4925 0.7120 0.7120 0.8450 0.8450 2.4249 2.4249 2.8242 2.8242 2.9240 2.9240 2.9496 2.9496 2.9702 2.9702 3.4243 3.4243 3.7163 3.7163 3.7806 3.7806 3.9961 3.9961 4.0152 4.0152 4.1764 4.1764 4.5055 4.5055 4.5365 4.5365 5.6421 5.6421 6.3252 6.3252 6.7695 6.7695 8.2149 8.2149 8.5655 8.5655 k = 0.0385 0.0385-0.0000 ( 7115 PWs) bands (ev): -13.6260 -13.6260 -12.6195 -12.6195 -11.8125 -11.8125 -11.8061 -11.8061 -11.2015 -11.2015 -11.0913 -11.0913 -5.4784 -5.4784 -5.4699 -5.4699 -5.4542 -5.4542 -3.4937 -3.4937 0.0515 0.0515 0.1622 0.1622 0.3282 0.3282 0.4898 0.4898 0.7136 0.7136 0.8374 0.8374 2.4401 2.4401 2.8343 2.8343 2.9289 2.9289 2.9481 2.9481 2.9803 2.9803 3.4104 3.4104 3.7454 3.7454 3.7862 3.7862 4.0059 4.0059 4.0191 4.0191 4.1735 4.1735 4.4920 4.4920 4.5168 4.5168 5.6064 5.6064 6.3403 6.3403 6.7460 6.7460 8.2608 8.2608 8.5259 8.5259 k = 0.0256 0.0256-0.0000 ( 7109 PWs) bands (ev): -13.6276 -13.6276 -12.6201 -12.6201 -11.8111 -11.8111 -11.8044 -11.8044 -11.2014 -11.2014 -11.0904 -11.0904 -5.4801 -5.4801 -5.4758 -5.4758 -5.4546 -5.4546 -3.4884 -3.4884 0.0521 0.0521 0.1598 0.1598 0.3278 0.3278 0.4877 0.4877 0.7149 0.7149 0.8320 0.8320 2.4511 2.4511 2.8415 2.8415 2.9314 2.9314 2.9478 2.9478 2.9886 2.9886 3.3999 3.3999 3.7657 3.7657 3.7917 3.7917 4.0115 4.0115 4.0239 4.0239 4.1714 4.1714 4.4690 4.4690 4.5146 4.5146 5.5800 5.5800 6.3525 6.3525 6.7279 6.7279 8.3058 8.3058 8.4853 8.4853 k = 0.0128 0.0128-0.0000 ( 7101 PWs) bands (ev): -13.6285 -13.6285 -12.6204 -12.6204 -11.8102 -11.8102 -11.8033 -11.8033 -11.2014 -11.2014 -11.0898 -11.0898 -5.4815 -5.4815 -5.4791 -5.4791 -5.4548 -5.4548 -3.4852 -3.4852 0.0524 0.0524 0.1583 0.1583 0.3278 0.3278 0.4865 0.4865 0.7158 0.7158 0.8287 0.8287 2.4578 2.4578 2.8458 2.8458 2.9324 2.9324 2.9481 2.9481 2.9939 2.9939 3.3933 3.3933 3.7762 3.7762 3.7972 3.7972 4.0144 4.0144 4.0278 4.0278 4.1701 4.1701 4.4534 4.4534 4.5145 4.5145 5.5637 5.5637 6.3606 6.3606 6.7163 6.7163 8.3490 8.3490 8.4448 8.4448 k = 0.0000 0.0000 0.0000 ( 7087 PWs) bands (ev): -13.6288 -13.6288 -12.6206 -12.6206 -11.8099 -11.8099 -11.8030 -11.8030 -11.2014 -11.2014 -11.0896 -11.0896 -5.4821 -5.4821 -5.4799 -5.4799 -5.4549 -5.4549 -3.4841 -3.4841 0.0525 0.0525 0.1578 0.1578 0.3278 0.3278 0.4861 0.4861 0.7160 0.7160 0.8276 0.8276 2.4600 2.4600 2.8472 2.8472 2.9326 2.9326 2.9483 2.9483 2.9958 2.9958 3.3911 3.3911 3.7790 3.7790 3.7998 3.7998 4.0153 4.0153 4.0292 4.0292 4.1697 4.1697 4.4480 4.4480 4.5146 4.5146 5.5582 5.5582 6.3634 6.3634 6.7122 6.7122 8.3782 8.3782 8.4165 8.4165 k = 0.0000 0.0000 0.0000 ( 7087 PWs) bands (ev): -13.6288 -13.6288 -12.6206 -12.6206 -11.8099 -11.8099 -11.8030 -11.8030 -11.2014 -11.2014 -11.0896 -11.0896 -5.4821 -5.4821 -5.4799 -5.4799 -5.4549 -5.4549 -3.4841 -3.4841 0.0525 0.0525 0.1578 0.1578 0.3278 0.3278 0.4861 0.4861 0.7160 0.7160 0.8276 0.8276 2.4600 2.4600 2.8472 2.8472 2.9326 2.9326 2.9483 2.9483 2.9958 2.9958 3.3911 3.3911 3.7790 3.7790 3.7998 3.7998 4.0153 4.0153 4.0292 4.0292 4.1697 4.1697 4.4480 4.4480 4.5146 4.5146 5.5582 5.5582 6.3634 6.3634 6.7122 6.7122 8.3782 8.3782 8.4165 8.4165 k = 0.0000 0.0000 0.0182 ( 7095 PWs) bands (ev): -13.6282 -13.6282 -12.6215 -12.6215 -11.8095 -11.8095 -11.8025 -11.8025 -11.2020 -11.2020 -11.0902 -11.0902 -5.4820 -5.4820 -5.4798 -5.4798 -5.4529 -5.4529 -3.4852 -3.4852 0.0515 0.0515 0.1566 0.1566 0.3285 0.3285 0.4877 0.4877 0.7161 0.7161 0.8307 0.8307 2.4564 2.4564 2.8359 2.8359 2.9341 2.9341 2.9411 2.9411 3.0087 3.0087 3.3910 3.3910 3.7782 3.7782 3.7990 3.7990 4.0169 4.0169 4.0310 4.0310 4.1681 4.1681 4.4535 4.4535 4.5081 4.5081 5.5583 5.5583 6.3644 6.3644 6.7166 6.7166 8.3747 8.3747 8.4215 8.4215 k = 0.0000 0.0000 0.0365 ( 7107 PWs) bands (ev): -13.6261 -13.6261 -12.6243 -12.6243 -11.8083 -11.8083 -11.8010 -11.8010 -11.2039 -11.2039 -11.0921 -11.0921 -5.4816 -5.4816 -5.4794 -5.4794 -5.4471 -5.4471 -3.4886 -3.4886 0.0485 0.0485 0.1533 0.1533 0.3306 0.3306 0.4926 0.4926 0.7166 0.7166 0.8396 0.8396 2.4455 2.4455 2.8092 2.8092 2.9072 2.9072 2.9598 2.9598 3.0318 3.0318 3.3909 3.3909 3.7757 3.7757 3.7968 3.7968 4.0218 4.0218 4.0360 4.0360 4.1635 4.1635 4.4699 4.4699 4.4887 4.4887 5.5586 5.5586 6.3673 6.3673 6.7294 6.7294 8.3672 8.3672 8.4332 8.4332 k = 0.0000 0.0000 0.0547 ( 7099 PWs) bands (ev): -13.6228 -13.6228 -12.6290 -12.6290 -11.8063 -11.8063 -11.7985 -11.7985 -11.2069 -11.2069 -11.0953 -11.0953 -5.4810 -5.4810 -5.4788 -5.4788 -5.4376 -5.4376 -3.4942 -3.4942 0.0434 0.0434 0.1476 0.1476 0.3345 0.3345 0.5005 0.5005 0.7185 0.7185 0.8533 0.8533 2.4279 2.4279 2.7744 2.7744 2.8766 2.8766 2.9813 2.9813 3.0559 3.0559 3.3906 3.3906 3.7716 3.7716 3.7932 3.7932 4.0297 4.0297 4.0443 4.0443 4.1561 4.1561 4.4572 4.4572 4.4963 4.4963 5.5591 5.5591 6.3721 6.3721 6.7501 6.7501 8.3590 8.3590 8.4487 8.4487 k = 0.0000 0.0000 0.0729 ( 7107 PWs) bands (ev): -13.6181 -13.6181 -12.6355 -12.6355 -11.8036 -11.8036 -11.7949 -11.7949 -11.2112 -11.2112 -11.0997 -11.0997 -5.4801 -5.4801 -5.4780 -5.4780 -5.4241 -5.4241 -3.5022 -3.5022 0.0363 0.0363 0.1397 0.1397 0.3403 0.3403 0.5112 0.5112 0.7231 0.7231 0.8709 0.8709 2.4041 2.4041 2.7344 2.7344 2.8439 2.8439 3.0032 3.0032 3.0797 3.0797 3.3903 3.3903 3.7663 3.7663 3.7883 3.7883 4.0404 4.0404 4.0554 4.0554 4.1461 4.1461 4.4144 4.4144 4.5318 4.5318 5.5599 5.5599 6.3786 6.3786 6.7773 6.7773 8.3511 8.3511 8.4666 8.4666 k = 0.0000 0.0000 0.0912 ( 7099 PWs) bands (ev): -13.6120 -13.6120 -12.6439 -12.6439 -11.8000 -11.8000 -11.7905 -11.7905 -11.2166 -11.2166 -11.1052 -11.1052 -5.4790 -5.4790 -5.4768 -5.4768 -5.4070 -5.4070 -3.5124 -3.5124 0.0273 0.0273 0.1294 0.1294 0.3483 0.3483 0.5244 0.5244 0.7311 0.7311 0.8915 0.8915 2.3747 2.3747 2.6900 2.6900 2.8096 2.8096 3.0249 3.0249 3.1026 3.1026 3.3900 3.3900 3.7597 3.7597 3.7824 3.7824 4.0536 4.0536 4.0692 4.0692 4.1340 4.1340 4.3615 4.3615 4.5752 4.5752 5.5611 5.5611 6.3865 6.3865 6.8099 6.8099 8.3441 8.3441 8.4866 8.4866 k = 0.0000 0.0000 0.1094 ( 7107 PWs) bands (ev): -13.6047 -13.6047 -12.6540 -12.6540 -11.7956 -11.7956 -11.7850 -11.7850 -11.2231 -11.2231 -11.1120 -11.1120 -5.4776 -5.4776 -5.4755 -5.4755 -5.3862 -5.3862 -3.5249 -3.5249 0.0164 0.0164 0.1169 0.1169 0.3588 0.3588 0.5399 0.5399 0.7431 0.7431 0.9145 0.9145 2.3403 2.3403 2.6421 2.6421 2.7738 2.7738 3.0463 3.0463 3.1246 3.1246 3.3897 3.3897 3.7522 3.7522 3.7756 3.7756 4.0683 4.0683 4.0849 4.0849 4.1205 4.1205 4.2997 4.2997 4.6255 4.6255 5.5629 5.5629 6.3955 6.3955 6.8461 6.8461 8.3382 8.3382 8.5085 8.5085 k = 0.0000 0.0000 0.1276 ( 7103 PWs) bands (ev): -13.5961 -13.5961 -12.6658 -12.6658 -11.7905 -11.7905 -11.7785 -11.7785 -11.2307 -11.2307 -11.1200 -11.1200 -5.4761 -5.4761 -5.4740 -5.4740 -5.3619 -5.3619 -3.5397 -3.5397 0.0039 0.0039 0.1022 0.1022 0.3719 0.3719 0.5574 0.5574 0.7596 0.7596 0.9396 0.9396 2.3017 2.3017 2.5913 2.5913 2.7367 2.7367 3.0672 3.0672 3.1458 3.1458 3.3894 3.3894 3.7438 3.7438 3.7680 3.7680 4.0803 4.0803 4.1019 4.1019 4.1097 4.1097 4.2309 4.2309 4.6816 4.6816 5.5654 5.5654 6.4052 6.4052 6.8844 6.8844 8.3336 8.3336 8.5322 8.5322 k = 0.0000 0.0000 0.1459 ( 7095 PWs) bands (ev): -13.5861 -13.5861 -12.6792 -12.6792 -11.7846 -11.7846 -11.7712 -11.7712 -11.2394 -11.2394 -11.1291 -11.1291 -5.4743 -5.4743 -5.4723 -5.4723 -5.3342 -5.3342 -3.5568 -3.5568 -0.0100 -0.0100 0.0855 0.0855 0.3875 0.3875 0.5768 0.5768 0.7806 0.7806 0.9663 0.9663 2.2595 2.2595 2.5380 2.5380 2.6982 2.6982 3.0877 3.0877 3.1661 3.1661 3.3891 3.3891 3.7347 3.7347 3.7597 3.7597 4.0743 4.0743 4.1137 4.1137 4.1167 4.1167 4.1621 4.1621 4.7425 4.7425 5.5688 5.5688 6.4153 6.4153 6.9230 6.9230 8.3308 8.3308 8.5576 8.5576 k = 0.0000 0.0000 0.1641 ( 7095 PWs) bands (ev): -13.5749 -13.5749 -12.6943 -12.6943 -11.7780 -11.7780 -11.7628 -11.7628 -11.2490 -11.2490 -11.1393 -11.1393 -5.4724 -5.4724 -5.4705 -5.4705 -5.3032 -5.3032 -3.5762 -3.5762 -0.0250 -0.0250 0.0672 0.0672 0.4058 0.4058 0.5980 0.5980 0.8062 0.8062 0.9946 0.9946 2.2142 2.2142 2.4829 2.4829 2.6584 2.6584 3.1077 3.1077 3.1856 3.1856 3.3890 3.3890 3.7250 3.7250 3.7508 3.7508 4.0559 4.0559 4.0629 4.0629 4.1358 4.1358 4.1518 4.1518 4.8075 4.8075 5.5732 5.5732 6.4252 6.4252 6.9602 6.9602 8.3302 8.3302 8.5846 8.5846 k = 0.0000 0.0000 0.1823 ( 7099 PWs) bands (ev): -13.5625 -13.5625 -12.7109 -12.7109 -11.7707 -11.7707 -11.7536 -11.7536 -11.2596 -11.2596 -11.1505 -11.1505 -5.4704 -5.4704 -5.4685 -5.4685 -5.2692 -5.2692 -3.5979 -3.5979 -0.0410 -0.0410 0.0476 0.0476 0.4266 0.4266 0.6209 0.6209 0.8361 0.8361 1.0243 1.0243 2.1664 2.1664 2.4265 2.4265 2.6175 2.6175 3.1273 3.1273 3.2043 3.2043 3.3890 3.3890 3.7147 3.7147 3.7415 3.7415 3.9784 3.9784 4.0339 4.0339 4.1580 4.1580 4.1715 4.1715 4.8757 4.8757 5.5787 5.5787 6.4346 6.4346 6.9943 6.9943 8.3322 8.3322 8.5834 8.5834 k = 0.0000 0.0000 0.2005 ( 7087 PWs) bands (ev): -13.5488 -13.5488 -12.7290 -12.7290 -11.7626 -11.7626 -11.7435 -11.7435 -11.2710 -11.2710 -11.1627 -11.1627 -5.4682 -5.4682 -5.4664 -5.4664 -5.2321 -5.2321 -3.6219 -3.6219 -0.0576 -0.0576 0.0268 0.0268 0.4499 0.4499 0.6454 0.6454 0.8702 0.8702 1.0553 1.0553 2.1165 2.1165 2.3692 2.3692 2.5754 2.5754 3.1465 3.1465 3.2223 3.2223 3.3892 3.3892 3.7038 3.7038 3.7316 3.7316 3.8882 3.8882 4.0097 4.0097 4.1815 4.1815 4.1941 4.1941 4.9465 4.9465 5.5856 5.5856 6.4429 6.4429 7.0239 7.0239 8.3375 8.3375 8.5489 8.5489 k = 0.0000 0.0000 0.2188 ( 7116 PWs) bands (ev): -13.5339 -13.5339 -12.7484 -12.7484 -11.7538 -11.7538 -11.7325 -11.7325 -11.2833 -11.2833 -11.1759 -11.1759 -5.4659 -5.4659 -5.4642 -5.4642 -5.1924 -5.1924 -3.6483 -3.6483 -0.0747 -0.0747 0.0054 0.0054 0.4756 0.4756 0.6715 0.6715 0.9081 0.9081 1.0877 1.0877 2.0650 2.0650 2.3113 2.3113 2.5323 2.5323 3.1652 3.1652 3.2395 3.2395 3.3896 3.3896 3.6922 3.6922 3.7213 3.7213 3.7948 3.7948 3.9840 3.9840 4.2059 4.2059 4.2175 4.2175 5.0192 5.0192 5.5939 5.5939 6.4497 6.4497 7.0474 7.0474 8.3466 8.3466 8.5172 8.5172 k = 0.0000 0.0000 0.2370 ( 7136 PWs) bands (ev): -13.5179 -13.5179 -12.7691 -12.7691 -11.7444 -11.7444 -11.7206 -11.7206 -11.2963 -11.2963 -11.1900 -11.1900 -5.4636 -5.4636 -5.4620 -5.4620 -5.1501 -5.1501 -3.6769 -3.6769 -0.0918 -0.0918 -0.0164 -0.0164 0.5035 0.5035 0.6991 0.6991 0.9493 0.9493 1.1214 1.1214 2.0125 2.0125 2.2533 2.2533 2.4883 2.4883 3.1836 3.1836 3.2560 3.2560 3.3900 3.3900 3.6773 3.6773 3.7021 3.7021 3.7107 3.7107 3.9570 3.9570 4.2306 4.2306 4.2414 4.2414 5.0935 5.0935 5.6037 5.6037 6.4545 6.4545 7.0637 7.0637 8.3599 8.3599 8.4892 8.4892 k = 0.0000 0.0000 0.2552 ( 7156 PWs) bands (ev): -13.5007 -13.5007 -12.7910 -12.7910 -11.7342 -11.7342 -11.7080 -11.7080 -11.3099 -11.3099 -11.2049 -11.2049 -5.4613 -5.4613 -5.4597 -5.4597 -5.1053 -5.1053 -3.7078 -3.7078 -0.1089 -0.1089 -0.0383 -0.0383 0.5336 0.5336 0.7282 0.7282 0.9932 0.9932 1.1566 1.1566 1.9594 1.9594 2.1956 2.1956 2.4434 2.4434 3.2016 3.2016 3.2715 3.2715 3.3899 3.3899 3.5999 3.5999 3.6709 3.6709 3.6996 3.6996 3.9290 3.9290 4.2553 4.2553 4.2653 4.2653 5.1687 5.1687 5.6151 5.6151 6.4571 6.4571 7.0720 7.0720 8.3776 8.3776 8.4654 8.4654 k = 0.0000 0.0000 0.2735 ( 7132 PWs) bands (ev): -13.4824 -13.4824 -12.8140 -12.8140 -11.7234 -11.7234 -11.6946 -11.6946 -11.3242 -11.3242 -11.2206 -11.2206 -5.4589 -5.4589 -5.4574 -5.4574 -5.0583 -5.0583 -3.7409 -3.7409 -0.1256 -0.1256 -0.0601 -0.0601 0.5657 0.5657 0.7588 0.7588 1.0390 1.0390 1.1936 1.1936 1.9063 1.9063 2.1385 2.1385 2.3979 2.3979 3.2193 3.2193 3.2854 3.2854 3.3869 3.3869 3.5071 3.5071 3.6580 3.6580 3.6883 3.6883 3.9002 3.9002 4.2798 4.2798 4.2889 4.2889 5.2443 5.2443 5.6282 5.6282 6.4572 6.4572 7.0719 7.0719 8.3994 8.3994 8.4465 8.4465 k = 0.0000 0.0000 0.2917 ( 7132 PWs) bands (ev): -13.4631 -13.4631 -12.8380 -12.8380 -11.7120 -11.7120 -11.6804 -11.6804 -11.3390 -11.3390 -11.2370 -11.2370 -5.4565 -5.4565 -5.4552 -5.4552 -5.0094 -5.0094 -3.7762 -3.7762 -0.1418 -0.1418 -0.0814 -0.0814 0.5996 0.5996 0.7909 0.7909 1.0856 1.0856 1.2324 1.2324 1.8539 1.8539 2.0825 2.0825 2.3517 2.3517 3.2366 3.2366 3.2936 3.2936 3.3652 3.3652 3.4373 3.4373 3.6454 3.6454 3.6766 3.6766 3.8708 3.8708 4.3037 4.3037 4.3120 4.3120 5.3199 5.3199 5.6429 5.6429 6.4547 6.4547 7.0632 7.0632 8.4249 8.4249 8.4326 8.4326 k = 0.0000 0.0000 0.3099 ( 7144 PWs) bands (ev): -13.4427 -13.4427 -12.8629 -12.8629 -11.7001 -11.7001 -11.6655 -11.6655 -11.3543 -11.3543 -11.2541 -11.2541 -5.4542 -5.4542 -5.4530 -5.4530 -4.9587 -4.9587 -3.8138 -3.8138 -0.1573 -0.1573 -0.1020 -0.1020 0.6354 0.6354 0.8245 0.8245 1.1316 1.1316 1.2733 1.2733 1.8030 1.8030 2.0282 2.0282 2.3050 2.3050 3.2537 3.2537 3.2579 3.2579 3.3343 3.3343 3.4200 3.4200 3.6327 3.6327 3.6647 3.6647 3.8412 3.8412 4.3268 4.3268 4.3342 4.3342 5.3949 5.3949 5.6593 5.6593 6.4499 6.4499 7.0462 7.0462 8.4241 8.4241 8.4532 8.4532 k = 0.0000 0.0000 0.3282 ( 7136 PWs) bands (ev): -13.4214 -13.4214 -12.8885 -12.8885 -11.6875 -11.6875 -11.6499 -11.6499 -11.3700 -11.3700 -11.2718 -11.2718 -5.4520 -5.4520 -5.4508 -5.4508 -4.9064 -4.9064 -3.8534 -3.8534 -0.1719 -0.1719 -0.1217 -0.1217 0.6728 0.6728 0.8595 0.8595 1.1752 1.1752 1.3161 1.3161 1.7550 1.7550 1.9764 1.9764 2.2579 2.2579 3.1676 3.1676 3.2705 3.2705 3.3400 3.3400 3.4209 3.4209 3.6200 3.6200 3.6525 3.6525 3.8114 3.8114 4.3487 4.3487 4.3553 4.3553 5.4687 5.4687 5.6773 5.6773 6.4430 6.4430 7.0214 7.0214 8.4209 8.4209 8.4829 8.4829 k = 0.0000 0.0000 0.3464 ( 7128 PWs) bands (ev): -13.3992 -13.3992 -12.9149 -12.9149 -11.6744 -11.6744 -11.6337 -11.6337 -11.3861 -11.3861 -11.2900 -11.2900 -5.4499 -5.4499 -5.4488 -5.4488 -4.8527 -4.8527 -3.8951 -3.8951 -0.1853 -0.1853 -0.1403 -0.1403 0.7117 0.7117 0.8960 0.8960 1.2144 1.2144 1.3595 1.3595 1.7118 1.7118 1.9285 1.9285 2.2106 2.2106 3.0678 3.0678 3.2869 3.2869 3.3513 3.3513 3.4262 3.4262 3.6073 3.6073 3.6401 3.6401 3.7818 3.7818 4.3694 4.3694 4.3752 4.3752 5.5405 5.5405 5.6968 5.6968 6.4348 6.4348 6.9896 6.9896 8.4228 8.4228 8.5126 8.5126 k = 0.0000 0.0000 0.3646 ( 7128 PWs) bands (ev): -13.3761 -13.3761 -12.9419 -12.9419 -11.6608 -11.6608 -11.6169 -11.6169 -11.4025 -11.4025 -11.3086 -11.3086 -5.4479 -5.4479 -5.4469 -5.4469 -4.7980 -4.7980 -3.9388 -3.9388 -0.1976 -0.1976 -0.1577 -0.1577 0.7520 0.7520 0.9338 0.9338 1.2470 1.2470 1.3996 1.3996 1.6775 1.6775 1.8867 1.8867 2.1633 2.1633 2.9661 2.9661 3.3030 3.3030 3.3630 3.3630 3.4338 3.4338 3.5948 3.5948 3.6275 3.6275 3.7525 3.7525 4.3885 4.3885 4.3935 4.3935 5.6093 5.6093 5.7175 5.7175 6.4262 6.4262 6.9516 6.9516 8.4294 8.4294 8.5406 8.5406 k = 0.0000 0.0000 0.3829 ( 7128 PWs) bands (ev): -13.3521 -13.3521 -12.9693 -12.9693 -11.6466 -11.6466 -11.5995 -11.5995 -11.4190 -11.4190 -11.3277 -11.3277 -5.4461 -5.4461 -5.4452 -5.4452 -4.7424 -4.7424 -3.9843 -3.9843 -0.2084 -0.2084 -0.1736 -0.1736 0.7935 0.7935 0.9729 0.9729 1.2705 1.2705 1.4290 1.4290 1.6582 1.6582 1.8548 1.8548 2.1160 2.1160 2.8640 2.8640 3.3188 3.3188 3.3744 3.3744 3.4432 3.4432 3.5826 3.5826 3.6149 3.6149 3.7238 3.7238 4.4058 4.4058 4.4101 4.4101 5.6740 5.6740 5.7393 5.7393 6.4185 6.4185 6.9083 6.9083 8.4402 8.4402 8.5651 8.5651 k = 0.0000 0.0000 0.4011 ( 7104 PWs) bands (ev): -13.3274 -13.3274 -12.9971 -12.9971 -11.6321 -11.6321 -11.5816 -11.5816 -11.4358 -11.4358 -11.3470 -11.3470 -5.4444 -5.4444 -5.4437 -5.4437 -4.6860 -4.6860 -4.0315 -4.0315 -0.2178 -0.2178 -0.1880 -0.1880 0.8361 0.8361 1.0133 1.0133 1.2814 1.2814 1.4397 1.4397 1.6586 1.6586 1.8397 1.8397 2.0689 2.0689 2.7624 2.7624 3.3341 3.3341 3.3850 3.3850 3.4542 3.4542 3.5710 3.5710 3.6023 3.6023 3.6959 3.6959 4.4212 4.4212 4.4248 4.4248 5.7328 5.7328 5.7619 5.7619 6.4136 6.4136 6.8607 6.8607 8.4546 8.4546 8.5846 8.5846 k = 0.0000 0.0000 0.4193 ( 7108 PWs) bands (ev): -13.3020 -13.3020 -13.0253 -13.0253 -11.6171 -11.6171 -11.5633 -11.5633 -11.4526 -11.4526 -11.3667 -11.3667 -5.4430 -5.4430 -5.4424 -5.4424 -4.6292 -4.6292 -4.0805 -4.0805 -0.2255 -0.2255 -0.2007 -0.2007 0.8797 0.8797 1.0548 1.0548 1.2774 1.2774 1.4323 1.4323 1.6722 1.6722 1.8496 1.8496 2.0223 2.0223 2.6617 2.6617 3.3490 3.3490 3.3945 3.3945 3.4665 3.4665 3.5604 3.5604 3.5898 3.5898 3.6690 3.6690 4.4346 4.4346 4.4375 4.4375 5.7840 5.7840 5.7847 5.7847 6.4137 6.4137 6.8096 6.8096 8.4720 8.4720 8.5979 8.5979 k = 0.0000 0.0000 0.4376 ( 7124 PWs) bands (ev): -13.2760 -13.2760 -13.0536 -13.0536 -11.6018 -11.6018 -11.5447 -11.5447 -11.4695 -11.4695 -11.3865 -11.3865 -5.4418 -5.4418 -5.4413 -5.4413 -4.5722 -4.5722 -4.1311 -4.1311 -0.2315 -0.2315 -0.2117 -0.2117 0.9241 0.9241 1.0973 1.0973 1.2584 1.2584 1.4131 1.4131 1.6896 1.6896 1.8875 1.8875 1.9763 1.9763 2.5622 2.5622 3.3631 3.3631 3.4025 3.4025 3.4801 3.4801 3.5515 3.5515 3.5776 3.5776 3.6432 3.6432 4.4457 4.4457 4.4480 4.4480 5.8073 5.8073 5.8252 5.8252 6.4210 6.4210 6.7562 6.7562 8.4913 8.4913 8.6044 8.6044 k = 0.0000 0.0000 0.4558 ( 7128 PWs) bands (ev): -13.2493 -13.2493 -13.0820 -13.0820 -11.5861 -11.5861 -11.5258 -11.5258 -11.4863 -11.4863 -11.4064 -11.4064 -5.4408 -5.4408 -5.4405 -5.4405 -4.5151 -4.5151 -4.1830 -4.1830 -0.2357 -0.2357 -0.2209 -0.2209 0.9691 0.9691 1.1405 1.1405 1.2281 1.2281 1.3855 1.3855 1.7107 1.7107 1.9312 1.9312 1.9466 1.9466 2.4644 2.4644 3.3763 3.3763 3.4083 3.4083 3.4947 3.4947 3.5451 3.5451 3.5658 3.5658 3.6188 3.6188 4.4545 4.4545 4.4562 4.4562 5.8288 5.8288 5.8550 5.8550 6.4375 6.4375 6.7016 6.7016 8.5119 8.5119 8.6043 8.6043 k = 0.0000 0.0000 0.4740 ( 7152 PWs) bands (ev): -13.2222 -13.2222 -13.1104 -13.1104 -11.5701 -11.5701 -11.5090 -11.5090 -11.5006 -11.5006 -11.4264 -11.4264 -5.4402 -5.4402 -5.4399 -5.4399 -4.4583 -4.4583 -4.2362 -4.2362 -0.2380 -0.2380 -0.2282 -0.2282 1.0145 1.0145 1.1842 1.1842 1.1905 1.1905 1.3514 1.3514 1.7373 1.7373 1.8875 1.8875 2.0188 2.0188 2.3686 2.3686 3.3882 3.3882 3.4112 3.4112 3.5099 3.5099 3.5425 3.5425 3.5548 3.5548 3.5959 3.5959 4.4609 4.4609 4.4620 4.4620 5.8482 5.8482 5.8725 5.8725 6.4642 6.4642 6.6470 6.6470 8.5328 8.5328 8.5980 8.5980 k = 0.0000 0.0000 0.4923 ( 7152 PWs) bands (ev): -13.1947 -13.1947 -13.1387 -13.1387 -11.5538 -11.5538 -11.5209 -11.5209 -11.4859 -11.4859 -11.4464 -11.4464 -5.4397 -5.4397 -5.4396 -5.4396 -4.4018 -4.4018 -4.2905 -4.2905 -0.2385 -0.2385 -0.2336 -0.2336 1.0599 1.0599 1.1488 1.1488 1.2280 1.2280 1.3127 1.3127 1.7693 1.7693 1.8455 1.8455 2.0993 2.0993 2.2754 2.2754 3.3983 3.3983 3.4104 3.4104 3.5243 3.5243 3.5448 3.5448 3.5456 3.5456 3.5749 3.5749 4.4649 4.4649 4.4655 4.4655 5.8642 5.8642 5.8786 5.8786 6.5004 6.5004 6.5940 6.5940 8.5529 8.5529 8.5866 8.5866 k = 0.0000 0.0000 0.5105 ( 7144 PWs) bands (ev): -13.1668 -13.1668 -13.1668 -13.1668 -11.5374 -11.5374 -11.5374 -11.5374 -11.4663 -11.4663 -11.4663 -11.4663 -5.4395 -5.4395 -5.4395 -5.4395 -4.3458 -4.3458 -4.3458 -4.3458 -0.2370 -0.2370 -0.2370 -0.2370 1.1049 1.1049 1.1049 1.1049 1.2711 1.2711 1.2711 1.2711 1.8058 1.8058 1.8058 1.8058 2.1853 2.1853 2.1853 2.1853 3.4060 3.4060 3.4060 3.4060 3.5355 3.5355 3.5355 3.5355 3.5571 3.5571 3.5571 3.5571 4.4664 4.4664 4.4664 4.4664 5.8751 5.8751 5.8751 5.8751 6.5444 6.5444 6.5444 6.5444 8.5712 8.5712 8.5712 8.5712 k = 0.0000 0.0000 0.5105 ( 7144 PWs) bands (ev): -13.1668 -13.1668 -13.1668 -13.1668 -11.5374 -11.5374 -11.5374 -11.5374 -11.4663 -11.4663 -11.4663 -11.4663 -5.4395 -5.4395 -5.4395 -5.4395 -4.3458 -4.3458 -4.3458 -4.3458 -0.2370 -0.2370 -0.2370 -0.2370 1.1049 1.1049 1.1049 1.1049 1.2711 1.2711 1.2711 1.2711 1.8058 1.8058 1.8058 1.8058 2.1853 2.1853 2.1853 2.1853 3.4060 3.4060 3.4060 3.4060 3.5355 3.5355 3.5355 3.5355 3.5571 3.5571 3.5571 3.5571 4.4664 4.4664 4.4664 4.4664 5.8751 5.8751 5.8751 5.8751 6.5444 6.5444 6.5444 6.5444 8.5712 8.5712 8.5712 8.5712 k = 0.0000 0.0185 0.5105 ( 7160 PWs) bands (ev): -13.1666 -13.1666 -13.1666 -13.1666 -11.5378 -11.5378 -11.5373 -11.5373 -11.4669 -11.4669 -11.4663 -11.4663 -5.4387 -5.4387 -5.4387 -5.4387 -4.3466 -4.3466 -4.3461 -4.3461 -0.2382 -0.2382 -0.2335 -0.2335 1.0988 1.0988 1.1091 1.1091 1.2708 1.2708 1.2717 1.2717 1.8039 1.8039 1.8085 1.8085 2.1819 2.1819 2.1880 2.1880 3.3930 3.3930 3.4091 3.4091 3.5136 3.5136 3.5295 3.5295 3.5715 3.5715 3.5747 3.5747 4.4660 4.4660 4.4665 4.4665 5.8731 5.8731 5.8812 5.8812 6.5343 6.5343 6.5587 6.5587 8.5595 8.5595 8.5813 8.5813 k = 0.0000 0.0370 0.5105 ( 7154 PWs) bands (ev): -13.1659 -13.1659 -13.1658 -13.1658 -11.5386 -11.5386 -11.5374 -11.5374 -11.4681 -11.4681 -11.4668 -11.4668 -5.4362 -5.4362 -5.4361 -5.4361 -4.3485 -4.3485 -4.3475 -4.3475 -0.2371 -0.2371 -0.2277 -0.2277 1.0911 1.0911 1.1114 1.1114 1.2706 1.2706 1.2725 1.2725 1.8028 1.8028 1.8119 1.8119 2.1778 2.1778 2.1899 2.1899 3.3710 3.3710 3.3996 3.3996 3.4921 3.4921 3.5172 3.5172 3.5925 3.5925 3.6017 3.6017 4.4652 4.4652 4.4662 4.4662 5.8752 5.8752 5.8915 5.8915 6.5284 6.5284 6.5771 6.5771 8.5464 8.5464 8.5893 8.5893 k = 0.0000 0.0556 0.5105 ( 7156 PWs) bands (ev): -13.1647 -13.1647 -13.1646 -13.1646 -11.5396 -11.5396 -11.5380 -11.5380 -11.4699 -11.4699 -11.4679 -11.4679 -5.4320 -5.4320 -5.4319 -5.4319 -4.3515 -4.3515 -4.3501 -4.3501 -0.2338 -0.2338 -0.2197 -0.2197 1.0819 1.0819 1.1120 1.1120 1.2703 1.2703 1.2734 1.2734 1.8026 1.8026 1.8160 1.8160 2.1730 2.1730 2.1911 2.1911 3.3411 3.3411 3.3751 3.3751 3.4789 3.4789 3.5078 3.5078 3.6147 3.6147 3.6283 3.6283 4.4641 4.4641 4.4655 4.4655 5.8812 5.8812 5.9059 5.9059 6.5263 6.5263 6.5996 6.5996 8.5323 8.5323 8.5946 8.5946 k = 0.0000 0.0741 0.5105 ( 7154 PWs) bands (ev): -13.1631 -13.1631 -13.1629 -13.1629 -11.5411 -11.5411 -11.5389 -11.5389 -11.4721 -11.4721 -11.4695 -11.4695 -5.4262 -5.4262 -5.4261 -5.4261 -4.3556 -4.3556 -4.3537 -4.3537 -0.2283 -0.2283 -0.2095 -0.2095 1.0715 1.0715 1.1112 1.1112 1.2697 1.2697 1.2744 1.2744 1.8033 1.8033 1.8206 1.8206 2.1676 2.1676 2.1914 2.1914 3.3043 3.3043 3.3382 3.3382 3.4727 3.4727 3.5011 3.5011 3.6369 3.6369 3.6537 3.6537 4.4625 4.4625 4.4645 4.4645 5.8909 5.8909 5.9243 5.9243 6.5281 6.5281 6.6260 6.6260 8.5173 8.5173 8.5966 8.5966 k = 0.0000 0.0926 0.5105 ( 7142 PWs) bands (ev): -13.1610 -13.1610 -13.1608 -13.1608 -11.5429 -11.5429 -11.5402 -11.5402 -11.4747 -11.4747 -11.4716 -11.4716 -5.4188 -5.4188 -5.4187 -5.4187 -4.3608 -4.3608 -4.3584 -4.3584 -0.2207 -0.2207 -0.1971 -0.1971 1.0603 1.0603 1.1093 1.1093 1.2685 1.2685 1.2752 1.2752 1.8050 1.8050 1.8256 1.8256 2.1617 2.1617 2.1910 2.1910 3.2620 3.2620 3.2932 3.2932 3.4699 3.4699 3.4962 3.4962 3.6590 3.6590 3.6781 3.6781 4.4606 4.4606 4.4630 4.4630 5.9040 5.9040 5.9464 5.9464 6.5333 6.5333 6.6561 6.6561 8.5015 8.5015 8.5944 8.5944 k = 0.0000 0.1111 0.5105 ( 7130 PWs) bands (ev): -13.1585 -13.1585 -13.1583 -13.1583 -11.5452 -11.5452 -11.5420 -11.5420 -11.4776 -11.4776 -11.4739 -11.4739 -5.4099 -5.4099 -5.4098 -5.4098 -4.3670 -4.3670 -4.3642 -4.3642 -0.2111 -0.2111 -0.1828 -0.1828 1.0487 1.0487 1.1065 1.1065 1.2668 1.2668 1.2758 1.2758 1.8077 1.8077 1.8310 1.8310 2.1553 2.1553 2.1897 2.1897 3.2148 3.2148 3.2428 3.2428 3.4684 3.4684 3.4926 3.4926 3.6808 3.6808 3.7015 3.7015 4.4582 4.4582 4.4612 4.4612 5.9202 5.9202 5.9720 5.9720 6.5418 6.5418 6.6896 6.6896 8.4851 8.4851 8.5872 8.5872 k = 0.0000 0.1296 0.5105 ( 7130 PWs) bands (ev): -13.1556 -13.1556 -13.1554 -13.1554 -11.5479 -11.5479 -11.5443 -11.5443 -11.4807 -11.4807 -11.4765 -11.4765 -5.3995 -5.3995 -5.3994 -5.3994 -4.3742 -4.3742 -4.3710 -4.3710 -0.1996 -0.1996 -0.1665 -0.1665 1.0370 1.0370 1.1033 1.1033 1.2642 1.2642 1.2760 1.2760 1.8113 1.8113 1.8364 1.8364 2.1486 2.1486 2.1877 2.1877 3.1635 3.1635 3.1880 3.1880 3.4675 3.4675 3.4897 3.4897 3.7025 3.7025 3.7242 3.7242 4.4553 4.4553 4.4588 4.4588 5.9391 5.9391 6.0008 6.0008 6.5533 6.5533 6.7261 6.7261 8.4681 8.4681 8.5743 8.5743 k = 0.0000 0.1481 0.5105 ( 7146 PWs) bands (ev): -13.1523 -13.1523 -13.1521 -13.1521 -11.5512 -11.5512 -11.5473 -11.5473 -11.4838 -11.4838 -11.4791 -11.4791 -5.3878 -5.3878 -5.3878 -5.3878 -4.3824 -4.3824 -4.3788 -4.3788 -0.1863 -0.1863 -0.1486 -0.1486 1.0256 1.0256 1.1000 1.1000 1.2607 1.2607 1.2758 1.2758 1.8158 1.8158 1.8418 1.8418 2.1417 2.1417 2.1849 2.1849 3.1087 3.1087 3.1298 3.1298 3.4668 3.4668 3.4873 3.4873 3.7241 3.7241 3.7466 3.7466 4.4518 4.4518 4.4558 4.4558 5.9606 5.9606 6.0322 6.0322 6.5676 6.5676 6.7652 6.7652 8.4505 8.4505 8.5556 8.5556 k = 0.0000 0.1667 0.5105 ( 7158 PWs) bands (ev): -13.1487 -13.1487 -13.1485 -13.1485 -11.5551 -11.5551 -11.5510 -11.5510 -11.4867 -11.4867 -11.4818 -11.4818 -5.3749 -5.3749 -5.3748 -5.3748 -4.3914 -4.3914 -4.3875 -4.3875 -0.1714 -0.1714 -0.1291 -0.1291 1.0149 1.0149 1.0968 1.0968 1.2564 1.2564 1.2752 1.2752 1.8211 1.8211 1.8467 1.8467 2.1346 2.1346 2.1815 2.1815 3.0508 3.0508 3.0686 3.0686 3.4661 3.4661 3.4853 3.4853 3.7458 3.7458 3.7687 3.7687 4.4477 4.4477 4.4522 4.4522 5.9841 5.9841 6.0657 6.0657 6.5845 6.5845 6.8065 6.8065 8.4324 8.4324 8.5312 8.5312 k = 0.0000 0.1852 0.5105 ( 7154 PWs) bands (ev): -13.1448 -13.1448 -13.1446 -13.1446 -11.5596 -11.5596 -11.5553 -11.5553 -11.4894 -11.4894 -11.4844 -11.4844 -5.3607 -5.3607 -5.3607 -5.3607 -4.4014 -4.4014 -4.3972 -4.3972 -0.1551 -0.1551 -0.1083 -0.1083 1.0051 1.0051 1.0939 1.0939 1.2514 1.2514 1.2745 1.2745 1.8272 1.8272 1.8510 1.8510 2.1277 2.1277 2.1773 2.1773 2.9902 2.9902 3.0051 3.0051 3.4656 3.4656 3.4834 3.4834 3.7679 3.7679 3.7909 3.7909 4.4430 4.4430 4.4479 4.4479 6.0093 6.0093 6.1008 6.1008 6.6038 6.6038 6.8496 6.8496 8.4138 8.4138 8.5019 8.5019 k = 0.0000 0.2037 0.5105 ( 7162 PWs) bands (ev): -13.1407 -13.1407 -13.1405 -13.1405 -11.5646 -11.5646 -11.5604 -11.5604 -11.4918 -11.4918 -11.4868 -11.4868 -5.3456 -5.3456 -5.3456 -5.3456 -4.4121 -4.4121 -4.4077 -4.4077 -0.1376 -0.1376 -0.0866 -0.0866 0.9968 0.9968 1.0915 1.0915 1.2456 1.2456 1.2738 1.2738 1.8338 1.8338 1.8543 1.8543 2.1211 2.1211 2.1726 2.1726 2.9276 2.9276 2.9397 2.9397 3.4651 3.4651 3.4817 3.4817 3.7903 3.7903 3.8133 3.8133 4.4375 4.4375 4.4428 4.4428 6.0359 6.0359 6.1368 6.1368 6.6255 6.6255 6.8939 6.8939 8.3946 8.3946 8.4684 8.4684 k = 0.0000 0.2222 0.5105 ( 7166 PWs) bands (ev): -13.1365 -13.1365 -13.1362 -13.1362 -11.5701 -11.5701 -11.5660 -11.5660 -11.4939 -11.4939 -11.4890 -11.4890 -5.3297 -5.3297 -5.3295 -5.3295 -4.4235 -4.4235 -4.4189 -4.4189 -0.1191 -0.1191 -0.0642 -0.0642 0.9902 0.9902 1.0897 1.0897 1.2392 1.2392 1.2732 1.2732 1.8408 1.8408 1.8562 1.8562 2.1150 2.1150 2.1674 2.1674 2.8632 2.8632 2.8731 2.8731 3.4646 3.4646 3.4802 3.4802 3.8132 3.8132 3.8359 3.8359 4.4312 4.4312 4.4369 4.4369 6.0635 6.0635 6.1730 6.1730 6.6496 6.6496 6.9389 6.9389 8.3748 8.3748 8.4317 8.4317 k = 0.0000 0.2407 0.5105 ( 7172 PWs) bands (ev): -13.1321 -13.1321 -13.1318 -13.1318 -11.5761 -11.5761 -11.5722 -11.5722 -11.4957 -11.4957 -11.4909 -11.4909 -5.3130 -5.3130 -5.3128 -5.3128 -4.4356 -4.4356 -4.4308 -4.4308 -0.0998 -0.0998 -0.0414 -0.0414 0.9856 0.9856 1.0887 1.0887 1.2323 1.2323 1.2731 1.2731 1.8482 1.8482 1.8564 1.8564 2.1096 2.1096 2.1616 2.1616 2.7977 2.7977 2.8058 2.8058 3.4641 3.4641 3.4787 3.4787 3.8366 3.8366 3.8590 3.8590 4.4239 4.4239 4.4300 4.4300 6.0918 6.0918 6.2087 6.2087 6.6763 6.6763 6.9842 6.9842 8.3546 8.3546 8.3927 8.3927 k = 0.0000 0.2593 0.5105 ( 7168 PWs) bands (ev): -13.1276 -13.1276 -13.1273 -13.1273 -11.5824 -11.5824 -11.5788 -11.5788 -11.4971 -11.4971 -11.4926 -11.4926 -5.2957 -5.2957 -5.2954 -5.2954 -4.4481 -4.4481 -4.4433 -4.4433 -0.0799 -0.0799 -0.0187 -0.0187 0.9836 0.9836 1.0884 1.0884 1.2251 1.2251 1.2738 1.2738 1.8546 1.8546 1.8557 1.8557 2.1051 2.1051 2.1554 2.1554 2.7315 2.7315 2.7384 2.7384 3.4637 3.4637 3.4773 3.4773 3.8607 3.8607 3.8825 3.8825 4.4157 4.4157 4.4220 4.4220 6.1203 6.1203 6.2429 6.2429 6.7056 6.7056 7.0293 7.0293 8.3337 8.3337 8.3521 8.3521 k = 0.0000 0.2778 0.5105 ( 7176 PWs) bands (ev): -13.1231 -13.1231 -13.1228 -13.1228 -11.5889 -11.5889 -11.5856 -11.5856 -11.4982 -11.4982 -11.4941 -11.4941 -5.2780 -5.2780 -5.2776 -5.2776 -4.4611 -4.4611 -4.4562 -4.4562 -0.0599 -0.0599 0.0035 0.0035 0.9843 0.9843 1.0888 1.0888 1.2178 1.2178 1.2754 1.2754 1.8508 1.8508 1.8633 1.8633 2.1015 2.1015 2.1488 2.1488 2.6653 2.6653 2.6717 2.6717 3.4633 3.4633 3.4760 3.4760 3.8853 3.8853 3.9065 3.9065 4.4063 4.4063 4.4130 4.4130 6.1489 6.1489 6.2751 6.2751 6.7377 6.7377 7.0734 7.0734 8.3107 8.3107 8.3122 8.3122 k = 0.0000 0.2963 0.5105 ( 7178 PWs) bands (ev): -13.1186 -13.1186 -13.1184 -13.1184 -11.5955 -11.5955 -11.5925 -11.5925 -11.4992 -11.4992 -11.4954 -11.4954 -5.2602 -5.2602 -5.2597 -5.2597 -4.4743 -4.4743 -4.4694 -4.4694 -0.0398 -0.0398 0.0248 0.0248 0.9882 0.9882 1.0898 1.0898 1.2104 1.2104 1.2781 1.2781 1.8447 1.8447 1.8708 1.8708 2.0989 2.0989 2.1415 2.1415 2.5998 2.5998 2.6063 2.6063 3.4630 3.4630 3.4747 3.4747 3.9104 3.9104 3.9309 3.9309 4.3959 4.3959 4.4028 4.4028 6.1771 6.1771 6.3046 6.3046 6.7728 6.7728 7.1160 7.1160 8.2693 8.2693 8.2902 8.2902 k = 0.0000 0.3148 0.5105 ( 7190 PWs) bands (ev): -13.1143 -13.1143 -13.1140 -13.1140 -11.6020 -11.6020 -11.5994 -11.5994 -11.4999 -11.4999 -11.4964 -11.4964 -5.2424 -5.2424 -5.2419 -5.2419 -4.4876 -4.4876 -4.4828 -4.4828 -0.0199 -0.0199 0.0447 0.0447 0.9954 0.9954 1.0914 1.0914 1.2031 1.2031 1.2821 1.2821 1.8367 1.8367 1.8781 1.8781 2.0970 2.0970 2.1336 2.1336 2.5357 2.5357 2.5430 2.5430 3.4628 3.4628 3.4735 3.4735 3.9361 3.9361 3.9557 3.9557 4.3842 4.3842 4.3913 4.3913 6.2047 6.2047 6.3308 6.3308 6.8107 6.8107 7.1565 7.1565 8.2284 8.2284 8.2675 8.2675 k = 0.0000 0.3333 0.5105 ( 7192 PWs) bands (ev): -13.1101 -13.1101 -13.1099 -13.1099 -11.6084 -11.6084 -11.6061 -11.6061 -11.5004 -11.5004 -11.4974 -11.4974 -5.2249 -5.2249 -5.2243 -5.2243 -4.5007 -4.5007 -4.4962 -4.4962 -0.0006 -0.0006 0.0630 0.0630 1.0061 1.0061 1.0935 1.0935 1.1961 1.1961 1.2872 1.2872 1.8269 1.8269 1.8851 1.8851 2.0957 2.0957 2.1246 2.1246 2.4740 2.4740 2.4828 2.4828 3.4626 3.4626 3.4723 3.4723 3.9622 3.9622 3.9809 3.9809 4.3713 4.3713 4.3786 4.3786 6.2314 6.2314 6.3533 6.3533 6.8512 6.8512 7.1938 7.1938 8.1890 8.1890 8.2444 8.2444 k = 0.0000 0.3519 0.5105 ( 7200 PWs) bands (ev): -13.1062 -13.1062 -13.1060 -13.1060 -11.6145 -11.6145 -11.6125 -11.6125 -11.5008 -11.5008 -11.4981 -11.4981 -5.2080 -5.2080 -5.2073 -5.2073 -4.5136 -4.5136 -4.5093 -4.5093 0.0180 0.0180 0.0791 0.0791 1.0202 1.0202 1.0959 1.0959 1.1896 1.1896 1.2930 1.2930 1.8161 1.8161 1.8915 1.8915 2.0944 2.0944 2.1141 2.1141 2.4160 2.4160 2.4264 2.4264 3.4625 3.4625 3.4712 3.4712 3.9886 3.9886 4.0064 4.0064 4.3571 4.3571 4.3647 4.3647 6.2569 6.2569 6.3721 6.3721 6.8941 6.8941 7.2272 7.2272 8.1519 8.1519 8.2207 8.2207 k = 0.0000 0.3704 0.5105 ( 7200 PWs) bands (ev): -13.1026 -13.1026 -13.1024 -13.1024 -11.6201 -11.6201 -11.6184 -11.6184 -11.5011 -11.5011 -11.4988 -11.4988 -5.1919 -5.1919 -5.1912 -5.1912 -4.5260 -4.5260 -4.5220 -4.5220 0.0356 0.0356 0.0929 0.0929 1.0375 1.0375 1.0985 1.0985 1.1839 1.1839 1.2990 1.2990 1.8049 1.8049 1.8971 1.8971 2.0927 2.0927 2.1014 2.1014 2.3634 2.3634 2.3749 2.3749 3.4625 3.4625 3.4701 3.4701 4.0152 4.0152 4.0320 4.0320 4.3416 4.3416 4.3495 4.3495 6.2811 6.2811 6.3871 6.3871 6.9388 6.9388 7.2556 7.2556 8.1182 8.1182 8.1968 8.1968 k = 0.0000 0.3889 0.5105 ( 7176 PWs) bands (ev): -13.0993 -13.0993 -13.0991 -13.0991 -11.6252 -11.6252 -11.6238 -11.6238 -11.5013 -11.5013 -11.4994 -11.4994 -5.1769 -5.1769 -5.1762 -5.1762 -4.5374 -4.5374 -4.5338 -4.5338 0.0520 0.0520 0.1042 0.1042 1.0574 1.0574 1.1014 1.1014 1.1793 1.1793 1.3042 1.3042 1.7946 1.7946 1.9013 1.9013 2.0861 2.0861 2.0901 2.0901 2.3178 2.3178 2.3293 2.3293 3.4626 3.4626 3.4691 3.4691 4.0418 4.0418 4.0578 4.0578 4.3249 4.3249 4.3330 4.3330 6.3038 6.3038 6.3984 6.3984 6.9847 6.9847 7.2777 7.2777 8.0889 8.0889 8.1727 8.1727 k = 0.0000 0.4074 0.5105 ( 7176 PWs) bands (ev): -13.0965 -13.0965 -13.0963 -13.0963 -11.6297 -11.6297 -11.6286 -11.6286 -11.5015 -11.5015 -11.4998 -11.4998 -5.1634 -5.1634 -5.1627 -5.1627 -4.5478 -4.5478 -4.5446 -4.5446 0.0671 0.0671 0.1128 0.1128 1.0785 1.0785 1.1044 1.1044 1.1770 1.1770 1.3073 1.3073 1.7867 1.7867 1.9029 1.9029 2.0685 2.0685 2.0859 2.0859 2.2808 2.2808 2.2907 2.2907 3.4627 3.4627 3.4682 3.4682 4.0684 4.0684 4.0834 4.0834 4.3069 4.3069 4.3154 4.3154 6.3247 6.3247 6.4062 6.4062 7.0311 7.0311 7.2925 7.2925 8.0652 8.0652 8.1487 8.1487 k = 0.0000 0.4259 0.5105 ( 7188 PWs) bands (ev): -13.0940 -13.0940 -13.0939 -13.0939 -11.6335 -11.6335 -11.6326 -11.6326 -11.5015 -11.5015 -11.5002 -11.5002 -5.1518 -5.1518 -5.1512 -5.1512 -4.5568 -4.5568 -4.5542 -4.5542 0.0807 0.0807 0.1187 0.1187 1.0982 1.0982 1.1075 1.1075 1.1789 1.1789 1.3067 1.3067 1.7828 1.7828 1.9000 1.9000 2.0508 2.0508 2.0794 2.0794 2.2530 2.2530 2.2599 2.2599 3.4629 3.4629 3.4673 3.4673 4.0948 4.0948 4.1088 4.1088 4.2878 4.2878 4.2966 4.2966 6.3436 6.3436 6.4105 6.4105 7.0770 7.0770 7.2988 7.2988 8.0480 8.0480 8.1253 8.1253 k = 0.0000 0.4444 0.5105 ( 7188 PWs) bands (ev): -13.0921 -13.0921 -13.0920 -13.0920 -11.6365 -11.6365 -11.6358 -11.6358 -11.5015 -11.5015 -11.5006 -11.5006 -5.1422 -5.1422 -5.1417 -5.1417 -4.5641 -4.5641 -4.5621 -4.5621 0.0926 0.0926 0.1220 0.1220 1.1106 1.1106 1.1125 1.1125 1.1880 1.1880 1.3011 1.3011 1.7846 1.7846 1.8903 1.8903 2.0371 2.0371 2.0705 2.0705 2.2336 2.2336 2.2373 2.2373 3.4632 3.4632 3.4665 3.4665 4.1207 4.1207 4.1337 4.1337 4.2677 4.2677 4.2768 4.2768 6.3606 6.3606 6.4117 6.4117 7.1216 7.1216 7.2961 7.2961 8.0380 8.0380 8.1029 8.1029 k = 0.0000 0.4630 0.5105 ( 7184 PWs) bands (ev): -13.0907 -13.0907 -13.0906 -13.0906 -11.6386 -11.6386 -11.6382 -11.6382 -11.5015 -11.5015 -11.5008 -11.5008 -5.1351 -5.1351 -5.1348 -5.1348 -4.5694 -4.5694 -4.5680 -4.5680 0.1027 0.1027 0.1228 0.1228 1.1138 1.1138 1.1193 1.1193 1.2057 1.2057 1.2898 1.2898 1.7929 1.7929 1.8731 1.8731 2.0308 2.0308 2.0598 2.0598 2.2210 2.2210 2.2225 2.2225 3.4636 3.4636 3.4658 3.4658 4.1458 4.1458 4.1577 4.1577 4.2470 4.2470 4.2563 4.2563 6.3753 6.3753 6.4098 6.4098 7.1638 7.1638 7.2844 7.2844 8.0353 8.0353 8.0822 8.0822 k = 0.0000 0.4815 0.5105 ( 7176 PWs) bands (ev): -13.0898 -13.0898 -13.0898 -13.0898 -11.6399 -11.6399 -11.6397 -11.6397 -11.5014 -11.5014 -11.5011 -11.5011 -5.1307 -5.1307 -5.1305 -5.1305 -4.5726 -4.5726 -4.5719 -4.5719 0.1110 0.1110 0.1211 0.1211 1.1168 1.1168 1.1206 1.1206 1.2283 1.2283 1.2730 1.2730 1.8078 1.8078 1.8510 1.8510 2.0320 2.0320 2.0486 2.0486 2.2140 2.2140 2.2144 2.2144 3.4640 3.4640 3.4651 3.4651 4.1694 4.1694 4.1793 4.1793 4.2272 4.2272 4.2357 4.2357 6.3878 6.3878 6.4052 6.4052 7.2026 7.2026 7.2641 7.2641 8.0394 8.0394 8.0640 8.0640 k = 0.0000 0.5000 0.5105 ( 7172 PWs) bands (ev): -13.0895 -13.0895 -13.0895 -13.0895 -11.6402 -11.6402 -11.6402 -11.6402 -11.5013 -11.5013 -11.5013 -11.5013 -5.1292 -5.1292 -5.1292 -5.1292 -4.5734 -4.5734 -4.5734 -4.5734 0.1171 0.1171 0.1171 0.1171 1.1193 1.1193 1.1193 1.1193 1.2518 1.2518 1.2518 1.2518 1.8280 1.8280 1.8280 1.8280 2.0387 2.0387 2.0387 2.0387 2.2118 2.2118 2.2118 2.2118 3.4645 3.4645 3.4645 3.4645 4.1868 4.1868 4.1868 4.1868 4.2198 4.2198 4.2198 4.2198 6.3977 6.3977 6.3977 6.3977 7.2364 7.2364 7.2364 7.2364 8.0493 8.0493 8.0493 8.0493 k = 0.0000 0.5000 0.5105 ( 7172 PWs) bands (ev): -13.0895 -13.0895 -13.0895 -13.0895 -11.6402 -11.6402 -11.6402 -11.6402 -11.5013 -11.5013 -11.5013 -11.5013 -5.1292 -5.1292 -5.1292 -5.1292 -4.5734 -4.5734 -4.5734 -4.5734 0.1171 0.1171 0.1171 0.1171 1.1193 1.1193 1.1193 1.1193 1.2518 1.2518 1.2518 1.2518 1.8280 1.8280 1.8280 1.8280 2.0387 2.0387 2.0387 2.0387 2.2118 2.2118 2.2118 2.2118 3.4645 3.4645 3.4645 3.4645 4.1868 4.1868 4.1868 4.1868 4.2198 4.2198 4.2198 4.2198 6.3977 6.3977 6.3977 6.3977 7.2364 7.2364 7.2364 7.2364 8.0493 8.0493 8.0493 8.0493 k = 0.0185 0.5000 0.5105 ( 7176 PWs) bands (ev): -13.0893 -13.0893 -13.0893 -13.0893 -11.6403 -11.6403 -11.6403 -11.6403 -11.5016 -11.5016 -11.5016 -11.5016 -5.1289 -5.1289 -5.1287 -5.1287 -4.5736 -4.5736 -4.5733 -4.5733 0.1154 0.1154 0.1212 0.1212 1.1055 1.1055 1.1271 1.1271 1.2524 1.2524 1.2564 1.2564 1.8179 1.8179 1.8369 1.8369 2.0371 2.0371 2.0403 2.0403 2.2095 2.2095 2.2141 2.2141 3.4620 3.4620 3.4621 3.4621 4.1714 4.1714 4.1956 4.1956 4.2115 4.2115 4.2365 4.2365 6.3891 6.3891 6.4075 6.4075 7.2236 7.2236 7.2496 7.2496 8.0472 8.0472 8.0510 8.0510 k = 0.0370 0.5000 0.5105 ( 7160 PWs) bands (ev): -13.0886 -13.0886 -13.0886 -13.0886 -11.6404 -11.6404 -11.6404 -11.6404 -11.5027 -11.5027 -11.5027 -11.5027 -5.1280 -5.1280 -5.1276 -5.1276 -4.5738 -4.5738 -4.5732 -4.5732 0.1161 0.1161 0.1278 0.1278 1.0876 1.0876 1.1283 1.1283 1.2588 1.2588 1.2644 1.2644 1.8072 1.8072 1.8446 1.8446 2.0358 2.0358 2.0416 2.0416 2.2073 2.2073 2.2166 2.2166 3.4546 3.4546 3.4547 3.4547 4.1564 4.1564 4.1837 4.1837 4.2256 4.2256 4.2546 4.2546 6.3815 6.3815 6.4181 6.4181 7.2111 7.2111 7.2628 7.2628 8.0445 8.0445 8.0521 8.0521 k = 0.0556 0.5000 0.5105 ( 7176 PWs) bands (ev): -13.0874 -13.0874 -13.0874 -13.0874 -11.6407 -11.6407 -11.6406 -11.6406 -11.5045 -11.5045 -11.5045 -11.5045 -5.1264 -5.1264 -5.1258 -5.1258 -4.5740 -4.5740 -4.5733 -4.5733 0.1191 0.1191 0.1368 0.1368 1.0670 1.0670 1.1236 1.1236 1.2703 1.2703 1.2743 1.2743 1.7960 1.7960 1.8505 1.8505 2.0352 2.0352 2.0421 2.0421 2.2048 2.2048 2.2193 2.2193 3.4426 3.4426 3.4427 3.4427 4.1425 4.1425 4.1694 4.1694 4.2437 4.2437 4.2732 4.2732 6.3751 6.3751 6.4295 6.4295 7.1992 7.1992 7.2760 7.2760 8.0412 8.0412 8.0527 8.0527 k = 0.0741 0.5000 0.5105 ( 7180 PWs) bands (ev): -13.0858 -13.0858 -13.0858 -13.0858 -11.6410 -11.6410 -11.6409 -11.6409 -11.5070 -11.5070 -11.5069 -11.5069 -5.1242 -5.1242 -5.1234 -5.1234 -4.5743 -4.5743 -4.5733 -4.5733 0.1245 0.1245 0.1482 0.1482 1.0448 1.0448 1.1149 1.1149 1.2849 1.2849 1.2852 1.2852 1.7846 1.7846 1.8547 1.8547 2.0354 2.0354 2.0417 2.0417 2.2022 2.2022 2.2223 2.2223 3.4263 3.4263 3.4263 3.4263 4.1298 4.1298 4.1558 4.1558 4.2625 4.2625 4.2920 4.2920 6.3700 6.3700 6.4415 6.4415 7.1880 7.1880 7.2891 7.2891 8.0374 8.0374 8.0528 8.0528 k = 0.0926 0.5000 0.5105 ( 7180 PWs) bands (ev): -13.0837 -13.0837 -13.0837 -13.0837 -11.6414 -11.6414 -11.6414 -11.6414 -11.5100 -11.5100 -11.5100 -11.5100 -5.1214 -5.1214 -5.1205 -5.1205 -4.5747 -4.5747 -4.5734 -4.5734 0.1321 0.1321 0.1619 0.1619 1.0217 1.0217 1.1038 1.1038 1.2965 1.2965 1.3010 1.3010 1.7732 1.7732 1.8570 1.8570 2.0364 2.0364 2.0400 2.0400 2.1992 2.1992 2.2256 2.2256 3.4060 3.4060 3.4063 3.4063 4.1183 4.1183 4.1431 4.1431 4.2815 4.2815 4.3109 4.3109 6.3662 6.3662 6.4539 6.4539 7.1776 7.1776 7.3018 7.3018 8.0332 8.0332 8.0525 8.0525 k = 0.1111 0.5000 0.5105 ( 7176 PWs) bands (ev): -13.0812 -13.0812 -13.0812 -13.0812 -11.6420 -11.6420 -11.6419 -11.6419 -11.5137 -11.5137 -11.5136 -11.5136 -5.1180 -5.1180 -5.1169 -5.1169 -4.5750 -4.5750 -4.5735 -4.5735 0.1419 0.1419 0.1781 0.1781 0.9981 0.9981 1.0913 1.0913 1.3077 1.3077 1.3175 1.3175 1.7619 1.7619 1.8576 1.8576 2.0370 2.0370 2.0380 2.0380 2.1959 2.1959 2.2289 2.2289 3.3826 3.3826 3.3832 3.3832 4.1079 4.1079 4.1313 4.1313 4.3004 4.3004 4.3297 4.3297 6.3637 6.3637 6.4666 6.4666 7.1683 7.1683 7.3141 7.3141 8.0285 8.0285 8.0518 8.0518 k = 0.1296 0.5000 0.5105 ( 7172 PWs) bands (ev): -13.0784 -13.0784 -13.0784 -13.0784 -11.6427 -11.6427 -11.6426 -11.6426 -11.5178 -11.5178 -11.5177 -11.5177 -5.1142 -5.1142 -5.1129 -5.1129 -4.5753 -4.5753 -4.5736 -4.5736 0.1538 0.1538 0.1965 0.1965 0.9742 0.9742 1.0783 1.0783 1.3187 1.3187 1.3337 1.3337 1.7511 1.7511 1.8566 1.8566 2.0328 2.0328 2.0397 2.0397 2.1921 2.1921 2.2320 2.2320 3.3565 3.3565 3.3577 3.3577 4.0986 4.0986 4.1204 4.1204 4.3190 4.3190 4.3480 4.3480 6.3625 6.3625 6.4794 6.4794 7.1600 7.1600 7.3257 7.3257 8.0235 8.0235 8.0508 8.0508 k = 0.1481 0.5000 0.5105 ( 7160 PWs) bands (ev): -13.0752 -13.0752 -13.0752 -13.0752 -11.6436 -11.6436 -11.6435 -11.6435 -11.5223 -11.5223 -11.5222 -11.5222 -5.1098 -5.1098 -5.1084 -5.1084 -4.5756 -4.5756 -4.5737 -4.5737 0.1676 0.1676 0.2172 0.2172 0.9504 0.9504 1.0651 1.0651 1.3293 1.3293 1.3492 1.3492 1.7406 1.7406 1.8544 1.8544 2.0272 2.0272 2.0413 2.0413 2.1878 2.1878 2.2347 2.2347 3.3286 3.3286 3.3303 3.3303 4.0901 4.0901 4.1103 4.1103 4.3372 4.3372 4.3658 4.3658 6.3626 6.3626 6.4919 6.4919 7.1531 7.1531 7.3366 7.3366 8.0183 8.0183 8.0494 8.0494 k = 0.1667 0.5000 0.5105 ( 7164 PWs) bands (ev): -13.0716 -13.0716 -13.0716 -13.0716 -11.6447 -11.6447 -11.6446 -11.6446 -11.5272 -11.5272 -11.5271 -11.5271 -5.1052 -5.1052 -5.1036 -5.1036 -4.5759 -4.5759 -4.5739 -4.5739 0.1834 0.1834 0.2401 0.2401 0.9269 0.9269 1.0521 1.0521 1.3393 1.3393 1.3634 1.3634 1.7308 1.7308 1.8512 1.8512 2.0206 2.0206 2.0422 2.0422 2.1829 2.1829 2.2366 2.2366 3.2995 3.2995 3.3019 3.3019 4.0825 4.0825 4.1009 4.1009 4.3547 4.3547 4.3829 4.3829 6.3640 6.3640 6.5041 6.5041 7.1475 7.1475 7.3465 7.3465 8.0129 8.0129 8.0477 8.0477 k = 0.1852 0.5000 0.5105 ( 7160 PWs) bands (ev): -13.0678 -13.0678 -13.0678 -13.0678 -11.6460 -11.6460 -11.6458 -11.6458 -11.5323 -11.5323 -11.5322 -11.5322 -5.1002 -5.1002 -5.0985 -5.0985 -4.5762 -4.5762 -4.5740 -4.5740 0.2008 0.2008 0.2650 0.2650 0.9037 0.9037 1.0396 1.0396 1.3486 1.3486 1.3762 1.3762 1.7217 1.7217 1.8474 1.8474 2.0129 2.0129 2.0421 2.0421 2.1773 2.1773 2.2373 2.2373 3.2701 3.2701 3.2731 3.2731 4.0755 4.0755 4.0922 4.0922 4.3716 4.3716 4.3992 4.3992 6.3666 6.3666 6.5157 6.5157 7.1436 7.1436 7.3554 7.3554 8.0076 8.0076 8.0457 8.0457 k = 0.2037 0.5000 0.5105 ( 7164 PWs) bands (ev): -13.0638 -13.0638 -13.0638 -13.0638 -11.6475 -11.6475 -11.6473 -11.6473 -11.5375 -11.5375 -11.5374 -11.5374 -5.0951 -5.0951 -5.0933 -5.0933 -4.5764 -4.5764 -4.5740 -4.5740 0.2198 0.2198 0.2919 0.2919 0.8811 0.8811 1.0278 1.0278 1.3572 1.3572 1.3873 1.3873 1.7135 1.7135 1.8433 1.8433 2.0045 2.0045 2.0405 2.0405 2.1708 2.1708 2.2366 2.2366 3.2409 3.2409 3.2445 3.2445 4.0691 4.0691 4.0841 4.0841 4.3876 4.3876 4.4145 4.4145 6.3704 6.3704 6.5263 6.5263 7.1413 7.1413 7.3631 7.3631 8.0023 8.0023 8.0435 8.0435 k = 0.2222 0.5000 0.5105 ( 7152 PWs) bands (ev): -13.0596 -13.0596 -13.0596 -13.0596 -11.6493 -11.6493 -11.6491 -11.6491 -11.5427 -11.5427 -11.5426 -11.5426 -5.0897 -5.0897 -5.0879 -5.0879 -4.5765 -4.5765 -4.5741 -4.5741 0.2402 0.2402 0.3207 0.3207 0.8591 0.8591 1.0169 1.0169 1.3649 1.3649 1.3964 1.3964 1.7062 1.7062 1.8390 1.8390 1.9954 1.9954 2.0372 2.0372 2.1635 2.1635 2.2341 2.2341 3.2127 3.2127 3.2170 3.2170 4.0633 4.0633 4.0765 4.0765 4.4027 4.4027 4.4289 4.4289 6.3754 6.3754 6.5360 6.5360 7.1407 7.1407 7.3695 7.3695 7.9974 7.9974 8.0410 8.0410 k = 0.2407 0.5000 0.5105 ( 7132 PWs) bands (ev): -13.0553 -13.0553 -13.0552 -13.0552 -11.6513 -11.6513 -11.6512 -11.6512 -11.5478 -11.5478 -11.5477 -11.5477 -5.0843 -5.0843 -5.0824 -5.0824 -4.5765 -4.5765 -4.5740 -4.5740 0.2617 0.2617 0.3510 0.3510 0.8380 0.8380 1.0071 1.0071 1.3716 1.3716 1.4033 1.4033 1.7000 1.7000 1.8349 1.8349 1.9857 1.9857 2.0318 2.0318 2.1553 2.1553 2.2296 2.2296 3.1860 3.1860 3.1909 3.1909 4.0579 4.0579 4.0694 4.0694 4.4170 4.4170 4.4423 4.4423 6.3813 6.3813 6.5444 6.5444 7.1420 7.1420 7.3745 7.3745 7.9928 7.9928 8.0382 8.0382 k = 0.2593 0.5000 0.5105 ( 7144 PWs) bands (ev): -13.0509 -13.0509 -13.0508 -13.0508 -11.6536 -11.6536 -11.6535 -11.6535 -11.5527 -11.5527 -11.5526 -11.5526 -5.0790 -5.0790 -5.0770 -5.0770 -4.5765 -4.5765 -4.5740 -4.5740 0.2841 0.2841 0.3827 0.3827 0.8179 0.8179 0.9984 0.9984 1.3774 1.3774 1.4078 1.4078 1.6950 1.6950 1.8310 1.8310 1.9758 1.9758 2.0241 2.0241 2.1465 2.1465 2.2231 2.2231 3.1613 3.1613 3.1667 3.1667 4.0528 4.0528 4.0628 4.0628 4.4303 4.4303 4.4546 4.4546 6.3883 6.3883 6.5514 6.5514 7.1452 7.1452 7.3780 7.3780 7.9887 7.9887 8.0353 8.0353 k = 0.2778 0.5000 0.5105 ( 7140 PWs) bands (ev): -13.0464 -13.0464 -13.0464 -13.0464 -11.6563 -11.6563 -11.6561 -11.6561 -11.5573 -11.5573 -11.5572 -11.5572 -5.0737 -5.0737 -5.0718 -5.0718 -4.5764 -4.5764 -4.5739 -4.5739 0.3072 0.3072 0.4155 0.4155 0.7990 0.7990 0.9909 0.9909 1.3820 1.3820 1.4097 1.4097 1.6914 1.6914 1.8275 1.8275 1.9655 1.9655 2.0137 2.0137 2.1373 2.1373 2.2146 2.2146 3.1390 3.1390 3.1449 3.1449 4.0482 4.0482 4.0567 4.0567 4.4427 4.4427 4.4659 4.4659 6.3961 6.3961 6.5569 6.5569 7.1501 7.1501 7.3800 7.3800 7.9852 7.9852 8.0322 8.0322 k = 0.2963 0.5000 0.5105 ( 7132 PWs) bands (ev): -13.0421 -13.0421 -13.0421 -13.0421 -11.6591 -11.6591 -11.6590 -11.6590 -11.5616 -11.5616 -11.5615 -11.5615 -5.0686 -5.0686 -5.0667 -5.0667 -4.5762 -4.5762 -4.5737 -4.5737 0.3307 0.3307 0.4488 0.4488 0.7816 0.7816 0.9847 0.9847 1.3855 1.3855 1.4091 1.4091 1.6892 1.6892 1.8246 1.8246 1.9552 1.9552 2.0004 2.0004 2.1282 2.1282 2.2043 2.2043 3.1193 3.1193 3.1255 3.1255 4.0439 4.0439 4.0510 4.0510 4.4541 4.4541 4.4760 4.4760 6.4046 6.4046 6.5609 6.5609 7.1569 7.1569 7.3805 7.3805 7.9823 7.9823 8.0289 8.0289 k = 0.3148 0.5000 0.5105 ( 7148 PWs) bands (ev): -13.0378 -13.0378 -13.0378 -13.0378 -11.6622 -11.6622 -11.6621 -11.6621 -11.5654 -11.5654 -11.5653 -11.5653 -5.0637 -5.0637 -5.0618 -5.0618 -4.5759 -4.5759 -4.5735 -4.5735 0.3543 0.3543 0.4822 0.4822 0.7661 0.7661 0.9798 0.9798 1.3877 1.3877 1.4060 1.4060 1.6883 1.6883 1.8222 1.8222 1.9448 1.9448 1.9841 1.9841 2.1195 2.1195 2.1926 2.1926 3.1023 3.1023 3.1087 3.1087 4.0399 4.0399 4.0457 4.0457 4.4646 4.4646 4.4851 4.4851 6.4138 6.4138 6.5633 6.5633 7.1652 7.1652 7.3793 7.3793 7.9800 7.9800 8.0255 8.0255 k = 0.3333 0.5000 0.5105 ( 7160 PWs) bands (ev): -13.0338 -13.0338 -13.0337 -13.0337 -11.6654 -11.6654 -11.6653 -11.6653 -11.5688 -11.5688 -11.5687 -11.5687 -5.0591 -5.0591 -5.0573 -5.0573 -4.5756 -4.5756 -4.5733 -4.5733 0.3778 0.3778 0.5145 0.5145 0.7533 0.7533 0.9759 0.9759 1.3887 1.3887 1.4007 1.4007 1.6888 1.6888 1.8206 1.8206 1.9344 1.9344 1.9652 1.9652 2.1116 2.1116 2.1798 2.1798 3.0879 3.0879 3.0944 3.0944 4.0362 4.0362 4.0410 4.0410 4.4741 4.4741 4.4931 4.4931 6.4235 6.4235 6.5642 6.5642 7.1750 7.1750 7.3766 7.3766 7.9785 7.9785 8.0220 8.0220 k = 0.3519 0.5000 0.5105 ( 7172 PWs) bands (ev): -13.0299 -13.0299 -13.0299 -13.0299 -11.6686 -11.6686 -11.6685 -11.6685 -11.5717 -11.5717 -11.5716 -11.5716 -5.0549 -5.0549 -5.0532 -5.0532 -4.5752 -4.5752 -4.5731 -4.5731 0.4007 0.4007 0.5441 0.5441 0.7445 0.7445 0.9727 0.9727 1.3883 1.3883 1.3935 1.3935 1.6907 1.6907 1.8195 1.8195 1.9242 1.9242 1.9439 1.9439 2.1047 2.1047 2.1665 2.1665 3.0761 3.0761 3.0824 3.0824 4.0329 4.0329 4.0367 4.0367 4.4827 4.4827 4.5000 4.5000 6.4337 6.4337 6.5636 6.5636 7.1861 7.1861 7.3725 7.3725 7.9776 7.9776 8.0184 8.0184 k = 0.3704 0.5000 0.5105 ( 7172 PWs) bands (ev): -13.0264 -13.0264 -13.0263 -13.0263 -11.6718 -11.6718 -11.6718 -11.6718 -11.5742 -11.5742 -11.5741 -11.5741 -5.0510 -5.0510 -5.0495 -5.0495 -4.5747 -4.5747 -4.5728 -4.5728 0.4230 0.4230 0.5686 0.5686 0.7419 0.7419 0.9699 0.9699 1.3850 1.3850 1.3865 1.3865 1.6939 1.6939 1.8191 1.8191 1.9141 1.9141 1.9212 1.9212 2.0989 2.0989 2.1531 2.1531 3.0666 3.0666 3.0726 3.0726 4.0300 4.0300 4.0328 4.0328 4.4904 4.4904 4.5059 4.5059 6.4442 6.4442 6.5616 6.5616 7.1983 7.1983 7.3668 7.3668 7.9774 7.9774 8.0147 8.0147 k = 0.3889 0.5000 0.5105 ( 7172 PWs) bands (ev): -13.0231 -13.0231 -13.0231 -13.0231 -11.6749 -11.6749 -11.6748 -11.6748 -11.5763 -11.5763 -11.5762 -11.5762 -5.0476 -5.0476 -5.0462 -5.0462 -4.5743 -4.5743 -4.5725 -4.5725 0.4444 0.4444 0.5849 0.5849 0.7480 0.7480 0.9667 0.9667 1.3758 1.3758 1.3835 1.3835 1.6985 1.6985 1.8189 1.8189 1.8981 1.8981 1.9043 1.9043 2.0941 2.0941 2.1402 2.1402 3.0592 3.0592 3.0647 3.0647 4.0273 4.0273 4.0295 4.0295 4.4973 4.4973 4.5108 4.5108 6.4548 6.4548 6.5582 6.5582 7.2113 7.2113 7.3598 7.3598 7.9778 7.9778 8.0110 8.0110 k = 0.4074 0.5000 0.5105 ( 7164 PWs) bands (ev): -13.0203 -13.0203 -13.0203 -13.0203 -11.6777 -11.6777 -11.6776 -11.6776 -11.5780 -11.5780 -11.5779 -11.5779 -5.0445 -5.0445 -5.0433 -5.0433 -4.5738 -4.5738 -4.5723 -4.5723 0.4647 0.4647 0.5917 0.5917 0.7636 0.7636 0.9624 0.9624 1.3670 1.3670 1.3792 1.3792 1.7043 1.7043 1.8183 1.8183 1.8761 1.8761 1.8947 1.8947 2.0904 2.0904 2.1283 2.1283 3.0536 3.0536 3.0585 3.0585 4.0251 4.0251 4.0267 4.0267 4.5032 4.5032 4.5147 4.5147 6.4656 6.4656 6.5537 6.5537 7.2249 7.2249 7.3516 7.3516 7.9788 7.9788 8.0073 8.0073 k = 0.4259 0.5000 0.5105 ( 7156 PWs) bands (ev): -13.0180 -13.0180 -13.0180 -13.0180 -11.6801 -11.6801 -11.6800 -11.6800 -11.5793 -11.5793 -11.5793 -11.5793 -5.0420 -5.0420 -5.0410 -5.0410 -4.5734 -4.5734 -4.5721 -4.5721 0.4839 0.4839 0.5905 0.5905 0.7866 0.7866 0.9559 0.9559 1.3592 1.3592 1.3739 1.3739 1.7116 1.7116 1.8151 1.8151 1.8581 1.8581 1.8856 1.8856 2.0879 2.0879 2.1176 2.1176 3.0496 3.0496 3.0537 3.0537 4.0233 4.0233 4.0244 4.0244 4.5083 4.5083 4.5176 4.5176 6.4763 6.4763 6.5480 6.5480 7.2389 7.2389 7.3421 7.3421 7.9802 7.9802 8.0037 8.0037 k = 0.4444 0.5000 0.5105 ( 7160 PWs) bands (ev): -13.0161 -13.0161 -13.0161 -13.0161 -11.6820 -11.6820 -11.6820 -11.6820 -11.5803 -11.5803 -11.5803 -11.5803 -5.0400 -5.0400 -5.0393 -5.0393 -4.5730 -4.5730 -4.5720 -4.5720 0.5019 0.5019 0.5839 0.5839 0.8137 0.8137 0.9463 0.9463 1.3535 1.3535 1.3680 1.3680 1.7205 1.7205 1.8055 1.8055 1.8486 1.8486 1.8769 1.8769 2.0866 2.0866 2.1084 2.1084 3.0468 3.0468 3.0500 3.0500 4.0218 4.0218 4.0226 4.0226 4.5125 4.5125 4.5195 4.5195 6.4869 6.4869 6.5414 6.5414 7.2531 7.2531 7.3316 7.3316 7.9822 7.9822 8.0001 8.0001 k = 0.4630 0.5000 0.5105 ( 7168 PWs) bands (ev): -13.0147 -13.0147 -13.0147 -13.0147 -11.6835 -11.6835 -11.6835 -11.6835 -11.5810 -11.5810 -11.5810 -11.5810 -5.0385 -5.0385 -5.0380 -5.0380 -4.5726 -4.5726 -4.5720 -4.5720 0.5188 0.5188 0.5741 0.5741 0.8419 0.8419 0.9330 0.9330 1.3503 1.3503 1.3620 1.3620 1.7310 1.7310 1.7901 1.7901 1.8473 1.8473 1.8689 1.8689 2.0865 2.0865 2.1008 2.1008 3.0452 3.0452 3.0473 3.0473 4.0208 4.0208 4.0213 4.0213 4.5158 4.5158 4.5206 4.5206 6.4972 6.4972 6.5339 6.5339 7.2672 7.2672 7.3201 7.3201 7.9845 7.9845 7.9966 7.9966 k = 0.4815 0.5000 0.5105 ( 7168 PWs) bands (ev): -13.0139 -13.0139 -13.0139 -13.0139 -11.6844 -11.6844 -11.6844 -11.6844 -11.5814 -11.5814 -11.5814 -11.5814 -5.0376 -5.0376 -5.0373 -5.0373 -4.5723 -4.5723 -4.5720 -4.5720 0.5344 0.5344 0.5623 0.5623 0.8691 0.8691 0.9155 0.9155 1.3500 1.3500 1.3564 1.3564 1.7434 1.7434 1.7734 1.7734 1.8502 1.8502 1.8616 1.8616 2.0878 2.0878 2.0949 2.0949 3.0445 3.0445 3.0456 3.0456 4.0202 4.0202 4.0204 4.0204 4.5183 4.5183 4.5207 4.5207 6.5072 6.5072 6.5256 6.5256 7.2812 7.2812 7.3077 7.3077 7.9872 7.9872 7.9933 7.9933 k = 0.5000 0.5000 0.5105 ( 7152 PWs) bands (ev): -13.0136 -13.0136 -13.0136 -13.0136 -11.6847 -11.6847 -11.6847 -11.6847 -11.5816 -11.5816 -11.5816 -11.5816 -5.0372 -5.0372 -5.0372 -5.0372 -4.5721 -4.5721 -4.5721 -4.5721 0.5490 0.5490 0.5490 0.5490 0.8940 0.8940 0.8940 0.8940 1.3522 1.3522 1.3522 1.3522 1.7576 1.7576 1.7576 1.7576 1.8553 1.8553 1.8553 1.8553 2.0906 2.0906 2.0906 2.0906 3.0446 3.0446 3.0446 3.0446 4.0201 4.0201 4.0201 4.0201 4.5200 4.5200 4.5200 4.5200 6.5167 6.5167 6.5167 6.5167 7.2947 7.2947 7.2947 7.2947 7.9901 7.9901 7.9901 7.9901 k = 0.5000 0.5000 0.5105 ( 7152 PWs) bands (ev): -13.0136 -13.0136 -13.0136 -13.0136 -11.6847 -11.6847 -11.6847 -11.6847 -11.5816 -11.5816 -11.5816 -11.5816 -5.0372 -5.0372 -5.0372 -5.0372 -4.5721 -4.5721 -4.5721 -4.5721 0.5490 0.5490 0.5490 0.5490 0.8940 0.8940 0.8940 0.8940 1.3522 1.3522 1.3522 1.3522 1.7576 1.7576 1.7576 1.7576 1.8553 1.8553 1.8553 1.8553 2.0906 2.0906 2.0906 2.0906 3.0446 3.0446 3.0446 3.0446 4.0201 4.0201 4.0201 4.0201 4.5200 4.5200 4.5200 4.5200 6.5167 6.5167 6.5167 6.5167 7.2947 7.2947 7.2947 7.2947 7.9901 7.9901 7.9901 7.9901 k = 0.4872 0.4872 0.5105 ( 7170 PWs) bands (ev): -13.0139 -13.0139 -13.0139 -13.0139 -11.6844 -11.6844 -11.6844 -11.6844 -11.5815 -11.5815 -11.5814 -11.5814 -5.0388 -5.0388 -5.0361 -5.0361 -4.5737 -4.5737 -4.5707 -4.5707 0.5347 0.5347 0.5621 0.5621 0.8697 0.8697 0.9151 0.9151 1.3497 1.3497 1.3566 1.3566 1.7437 1.7437 1.7730 1.7730 1.8503 1.8503 1.8615 1.8615 2.0879 2.0879 2.0947 2.0947 3.0444 3.0444 3.0456 3.0456 4.0195 4.0195 4.0211 4.0211 4.5182 4.5182 4.5209 4.5209 6.5074 6.5074 6.5255 6.5255 7.2814 7.2814 7.3075 7.3075 7.9871 7.9871 7.9933 7.9933 k = 0.4744 0.4744 0.5105 ( 7162 PWs) bands (ev): -13.0147 -13.0147 -13.0147 -13.0147 -11.6837 -11.6837 -11.6834 -11.6834 -11.5813 -11.5813 -11.5808 -11.5808 -5.0434 -5.0434 -5.0330 -5.0330 -4.5782 -4.5782 -4.5665 -4.5665 0.5190 0.5190 0.5743 0.5743 0.8429 0.8429 0.9320 0.9320 1.3483 1.3483 1.3638 1.3638 1.7320 1.7320 1.7890 1.7890 1.8472 1.8472 1.8688 1.8688 2.0867 2.0867 2.1004 2.1004 3.0450 3.0450 3.0473 3.0473 4.0177 4.0177 4.0242 4.0242 4.5149 4.5149 4.5217 4.5217 6.4974 6.4974 6.5338 6.5338 7.2673 7.2673 7.3201 7.3201 7.9836 7.9836 7.9975 7.9975 k = 0.4615 0.4615 0.5105 ( 7172 PWs) bands (ev): -13.0160 -13.0160 -13.0160 -13.0160 -11.6824 -11.6824 -11.6818 -11.6818 -11.5809 -11.5809 -11.5799 -11.5799 -5.0509 -5.0509 -5.0278 -5.0278 -4.5858 -4.5858 -4.5597 -4.5597 0.5018 0.5018 0.5857 0.5857 0.8145 0.8145 0.9444 0.9444 1.3471 1.3471 1.3741 1.3741 1.7230 1.7230 1.8034 1.8034 1.8478 1.8478 1.8774 1.8774 2.0869 2.0869 2.1074 2.1074 3.0463 3.0463 3.0500 3.0500 4.0148 4.0148 4.0293 4.0293 4.5097 4.5097 4.5226 4.5226 6.4866 6.4866 6.5416 6.5416 7.2522 7.2522 7.3325 7.3325 7.9793 7.9793 8.0031 8.0031 k = 0.4487 0.4487 0.5105 ( 7172 PWs) bands (ev): -13.0179 -13.0179 -13.0178 -13.0178 -11.6806 -11.6806 -11.6795 -11.6795 -11.5803 -11.5803 -11.5787 -11.5787 -5.0609 -5.0609 -5.0205 -5.0205 -4.5963 -4.5963 -4.5506 -4.5506 0.4827 0.4827 0.5965 0.5965 0.7852 0.7852 0.9520 0.9520 1.3457 1.3457 1.3873 1.3873 1.7170 1.7170 1.8126 1.8126 1.8547 1.8547 1.8880 1.8880 2.0885 2.0885 2.1156 2.1156 3.0484 3.0484 3.0537 3.0537 4.0108 4.0108 4.0364 4.0364 4.5024 4.5024 4.5239 4.5239 6.4750 6.4750 6.5490 6.5490 7.2360 7.2360 7.3451 7.3451 7.9740 7.9740 8.0104 8.0104 k = 0.4359 0.4359 0.5105 ( 7182 PWs) bands (ev): -13.0203 -13.0203 -13.0201 -13.0201 -11.6784 -11.6784 -11.6766 -11.6766 -11.5796 -11.5796 -11.5771 -11.5771 -5.0731 -5.0731 -5.0112 -5.0112 -4.6096 -4.6096 -4.5398 -4.5398 0.4618 0.4618 0.6067 0.6067 0.7556 0.7556 0.9551 0.9551 1.3439 1.3439 1.4026 1.4026 1.7145 1.7145 1.8162 1.8162 1.8669 1.8669 1.9023 1.9023 2.0914 2.0914 2.1252 2.1252 3.0514 3.0514 3.0585 3.0585 4.0058 4.0058 4.0452 4.0452 4.4931 4.4931 4.5253 4.5253 6.4624 6.4624 6.5557 6.5557 7.2184 7.2184 7.3579 7.3579 7.9677 7.9677 8.0197 8.0197 k = 0.4231 0.4231 0.5105 ( 7176 PWs) bands (ev): -13.0231 -13.0231 -13.0229 -13.0229 -11.6757 -11.6757 -11.6731 -11.6731 -11.5788 -11.5788 -11.5751 -11.5751 -5.0871 -5.0871 -4.9999 -4.9999 -4.6256 -4.6256 -4.5274 -4.5274 0.4390 0.4390 0.6158 0.6158 0.7265 0.7265 0.9544 0.9544 1.3414 1.3414 1.4188 1.4188 1.7157 1.7157 1.8172 1.8172 1.8797 1.8797 1.9219 1.9219 2.0954 2.0954 2.1358 2.1358 3.0553 3.0553 3.0645 3.0645 3.9999 3.9999 4.0557 4.0557 4.4817 4.4817 4.5269 4.5269 6.4487 6.4487 6.5617 6.5617 7.1993 7.1993 7.3709 7.3709 7.9606 7.9606 8.0311 8.0311 k = 0.4103 0.4103 0.5105 ( 7172 PWs) bands (ev): -13.0264 -13.0264 -13.0261 -13.0261 -11.6726 -11.6726 -11.6690 -11.6690 -11.5778 -11.5778 -11.5728 -11.5728 -5.1024 -5.1024 -4.9867 -4.9867 -4.6443 -4.6443 -4.5140 -4.5140 0.4143 0.4143 0.6224 0.6224 0.6997 0.6997 0.9508 0.9508 1.3382 1.3382 1.4345 1.4345 1.7208 1.7208 1.8178 1.8178 1.8912 1.8912 1.9467 1.9467 2.1004 2.1004 2.1477 2.1477 3.0603 3.0603 3.0718 3.0718 3.9930 3.9930 4.0678 4.0678 4.4683 4.4683 4.5286 4.5286 6.4339 6.4339 6.5667 6.5667 7.1787 7.1787 7.3841 7.3841 7.9531 7.9531 8.0448 8.0448 k = 0.3974 0.3974 0.5105 ( 7168 PWs) bands (ev): -13.0302 -13.0302 -13.0298 -13.0298 -11.6690 -11.6690 -11.6643 -11.6643 -11.5767 -11.5767 -11.5702 -11.5702 -5.1187 -5.1187 -4.9717 -4.9717 -4.6654 -4.6654 -4.5000 -4.5000 0.3880 0.3880 0.6208 0.6208 0.6807 0.6807 0.9452 0.9452 1.3340 1.3340 1.4486 1.4486 1.7298 1.7298 1.8188 1.8188 1.9018 1.9018 1.9754 1.9754 2.1063 2.1063 2.1609 2.1609 3.0664 3.0664 3.0805 3.0805 3.9854 3.9854 4.0812 4.0812 4.4529 4.4529 4.5302 4.5302 6.4178 6.4178 6.5707 6.5707 7.1565 7.1565 7.3970 7.3970 7.9456 7.9456 8.0607 8.0607 k = 0.3846 0.3846 0.5105 ( 7164 PWs) bands (ev): -13.0344 -13.0344 -13.0339 -13.0339 -11.6651 -11.6651 -11.6591 -11.6591 -11.5755 -11.5755 -11.5673 -11.5673 -5.1358 -5.1358 -4.9550 -4.9550 -4.6887 -4.6887 -4.4856 -4.4856 0.3603 0.3603 0.6038 0.6038 0.6769 0.6769 0.9386 0.9386 1.3290 1.3290 1.4601 1.4601 1.7421 1.7421 1.8207 1.8207 1.9122 1.9122 2.0069 2.0069 2.1133 2.1133 2.1757 2.1757 3.0737 3.0737 3.0907 3.0907 3.9772 3.9772 4.0958 4.0958 4.4354 4.4354 4.5316 4.5316 6.4006 6.4006 6.5733 6.5733 7.1326 7.1326 7.4094 7.4094 7.9385 7.9385 8.0790 8.0790 k = 0.3718 0.3718 0.5105 ( 7172 PWs) bands (ev): -13.0389 -13.0389 -13.0383 -13.0383 -11.6608 -11.6608 -11.6533 -11.6533 -11.5742 -11.5742 -11.5642 -11.5642 -5.1534 -5.1534 -4.9366 -4.9366 -4.7142 -4.7142 -4.4711 -4.4711 0.3314 0.3314 0.5758 0.5758 0.6838 0.6838 0.9318 0.9318 1.3231 1.3231 1.4686 1.4686 1.7568 1.7568 1.8235 1.8235 1.9228 1.9228 2.0401 2.0401 2.1220 2.1220 2.1924 2.1924 3.0823 3.0823 3.1025 3.1025 3.9683 3.9683 4.1114 4.1114 4.4160 4.4160 4.5328 4.5328 6.3821 6.3821 6.5743 6.5743 7.1071 7.1071 7.4204 7.4204 7.9326 7.9326 8.0998 8.0998 k = 0.3590 0.3590 0.5105 ( 7160 PWs) bands (ev): -13.0438 -13.0438 -13.0431 -13.0431 -11.6562 -11.6562 -11.6471 -11.6471 -11.5728 -11.5728 -11.5607 -11.5607 -5.1712 -5.1712 -4.9167 -4.9167 -4.7416 -4.7416 -4.4568 -4.4568 0.3017 0.3017 0.5432 0.5432 0.6949 0.6949 0.9255 0.9255 1.3166 1.3166 1.4740 1.4740 1.7726 1.7726 1.8276 1.8276 1.9337 1.9337 2.0723 2.0723 2.1343 2.1343 2.2116 2.2116 3.0921 3.0921 3.1157 3.1157 3.9589 3.9589 4.1277 4.1277 4.3947 4.3947 4.5338 4.5338 6.3625 6.3625 6.5737 6.5737 7.0801 7.0801 7.4292 7.4292 7.9286 7.9286 8.1232 8.1232 k = 0.3462 0.3462 0.5105 ( 7144 PWs) bands (ev): -13.0489 -13.0489 -13.0482 -13.0482 -11.6512 -11.6512 -11.6404 -11.6404 -11.5713 -11.5713 -11.5571 -11.5571 -5.1890 -5.1890 -4.8953 -4.8953 -4.7707 -4.7707 -4.4428 -4.4428 0.2714 0.2714 0.5083 0.5083 0.7081 0.7081 0.9201 0.9201 1.3093 1.3093 1.4766 1.4766 1.7878 1.7878 1.8330 1.8330 1.9448 1.9448 2.0983 2.0983 2.1556 2.1556 2.2338 2.2338 3.1033 3.1033 3.1305 3.1305 3.9491 3.9491 4.1448 4.1448 4.3715 4.3715 4.5344 4.5344 6.3419 6.3419 6.5712 6.5712 7.0515 7.0515 7.4348 7.4348 7.9274 7.9274 8.1492 8.1492 k = 0.3333 0.3333 0.5105 ( 7152 PWs) bands (ev): -13.0544 -13.0544 -13.0536 -13.0536 -11.6461 -11.6461 -11.6333 -11.6333 -11.5697 -11.5697 -11.5532 -11.5532 -5.2067 -5.2067 -4.8726 -4.8726 -4.8013 -4.8013 -4.4295 -4.4295 0.2408 0.2408 0.4717 0.4717 0.7227 0.7227 0.9160 0.9160 1.3016 1.3016 1.4767 1.4767 1.8010 1.8010 1.8400 1.8400 1.9561 1.9561 2.1143 2.1143 2.1890 2.1890 2.2596 2.2596 3.1156 3.1156 3.1466 3.1466 3.9389 3.9389 4.1623 4.1623 4.3466 4.3466 4.5346 4.5346 6.3202 6.3202 6.5666 6.5666 7.0216 7.0216 7.4363 7.4363 7.9296 7.9296 8.1778 8.1778 k = 0.3205 0.3205 0.5105 ( 7158 PWs) bands (ev): -13.0600 -13.0600 -13.0592 -13.0592 -11.6407 -11.6407 -11.6259 -11.6259 -11.5680 -11.5680 -11.5491 -11.5491 -5.2242 -5.2242 -4.8490 -4.8490 -4.8329 -4.8329 -4.4168 -4.4168 0.2101 0.2101 0.4340 0.4340 0.7382 0.7382 0.9134 0.9134 1.2934 1.2934 1.4748 1.4748 1.8113 1.8113 1.8487 1.8487 1.9673 1.9673 2.1242 2.1242 2.2305 2.2305 2.2897 2.2897 3.1290 3.1290 3.1641 3.1641 3.9285 3.9285 4.1800 4.1800 4.3200 4.3200 4.5344 4.5344 6.2977 6.2977 6.5599 6.5599 6.9905 6.9905 7.4327 7.4327 7.9359 7.9359 8.2089 8.2089 k = 0.3077 0.3077 0.5105 ( 7154 PWs) bands (ev): -13.0659 -13.0659 -13.0650 -13.0650 -11.6351 -11.6351 -11.6181 -11.6181 -11.5663 -11.5663 -11.5449 -11.5449 -5.2412 -5.2412 -4.8662 -4.8662 -4.8237 -4.8237 -4.4049 -4.4049 0.1796 0.1796 0.3955 0.3955 0.7546 0.7546 0.9127 0.9127 1.2850 1.2850 1.4711 1.4711 1.8187 1.8187 1.8580 1.8580 1.9783 1.9783 2.1315 2.1315 2.2760 2.2760 2.3244 2.3244 3.1435 3.1435 3.1828 3.1828 3.9178 3.9178 4.1979 4.1979 4.2919 4.2919 4.5336 4.5336 6.2745 6.2745 6.5509 6.5509 6.9584 6.9584 7.4234 7.4234 7.9467 7.9467 8.2424 8.2424 k = 0.2949 0.2949 0.5105 ( 7158 PWs) bands (ev): -13.0719 -13.0719 -13.0709 -13.0709 -11.6294 -11.6294 -11.6100 -11.6100 -11.5645 -11.5645 -11.5405 -11.5405 -5.2578 -5.2578 -4.8999 -4.8999 -4.7980 -4.7980 -4.3940 -4.3940 0.1494 0.1494 0.3563 0.3563 0.7717 0.7717 0.9139 0.9139 1.2764 1.2764 1.4660 1.4660 1.8241 1.8241 1.8669 1.8669 1.9891 1.9891 2.1375 2.1375 2.3237 2.3237 2.3641 2.3641 3.1588 3.1588 3.2025 3.2025 3.9070 3.9070 4.2155 4.2155 4.2626 4.2626 4.5324 4.5324 6.2506 6.2506 6.5394 6.5394 6.9255 6.9255 7.4081 7.4081 7.9619 7.9619 8.2782 8.2782 k = 0.2821 0.2821 0.5105 ( 7162 PWs) bands (ev): -13.0780 -13.0780 -13.0770 -13.0770 -11.6236 -11.6236 -11.6017 -11.6017 -11.5627 -11.5627 -11.5360 -11.5360 -5.2739 -5.2739 -4.9342 -4.9342 -4.7715 -4.7715 -4.3840 -4.3840 0.1197 0.1197 0.3168 0.3168 0.7891 0.7891 0.9171 0.9171 1.2679 1.2679 1.4597 1.4597 1.8279 1.8279 1.8746 1.8746 1.9995 1.9995 2.1428 2.1428 2.3726 2.3726 2.4086 2.4086 3.1748 3.1748 3.2230 3.2230 3.8960 3.8960 4.2258 4.2258 4.2392 4.2392 4.5307 4.5307 6.2263 6.2263 6.5252 6.5252 6.8922 6.8922 7.3869 7.3869 7.9812 7.9812 8.3160 8.3160 k = 0.2692 0.2692 0.5105 ( 7162 PWs) bands (ev): -13.0841 -13.0841 -13.0831 -13.0831 -11.6177 -11.6177 -11.5932 -11.5932 -11.5609 -11.5609 -11.5314 -11.5314 -5.2893 -5.2893 -4.9689 -4.9689 -4.7444 -4.7444 -4.3751 -4.3751 0.0906 0.0906 0.2772 0.2772 0.8068 0.8068 0.9226 0.9226 1.2594 1.2594 1.4525 1.4525 1.8305 1.8305 1.8808 1.8808 2.0097 2.0097 2.1476 2.1476 2.4226 2.4226 2.4573 2.4573 3.1914 3.1914 3.2442 3.2442 3.8850 3.8850 4.1978 4.1978 4.2528 4.2528 4.5286 4.5286 6.2018 6.2018 6.5082 6.5082 6.8590 6.8590 7.3602 7.3602 8.0041 8.0041 8.3553 8.3553 k = 0.2564 0.2564 0.5105 ( 7182 PWs) bands (ev): -13.0903 -13.0903 -13.0893 -13.0893 -11.6118 -11.6118 -11.5846 -11.5846 -11.5591 -11.5591 -11.5267 -11.5267 -5.3040 -5.3040 -5.0037 -5.0037 -4.7170 -4.7170 -4.3672 -4.3672 0.0623 0.0623 0.2379 0.2379 0.8244 0.8244 0.9305 0.9305 1.2512 1.2512 1.4444 1.4444 1.8319 1.8319 1.8853 1.8853 2.0198 2.0198 2.1520 2.1520 2.4739 2.4739 2.5091 2.5091 3.2084 3.2084 3.2657 3.2657 3.8739 3.8739 4.1650 4.1650 4.2698 4.2698 4.5260 4.5260 6.1771 6.1771 6.4882 6.4882 6.8261 6.8261 7.3284 7.3284 8.0301 8.0301 8.3959 8.3959 k = 0.2436 0.2436 0.5105 ( 7182 PWs) bands (ev): -13.0964 -13.0964 -13.0954 -13.0954 -11.6059 -11.6059 -11.5759 -11.5759 -11.5572 -11.5572 -11.5221 -11.5221 -5.3180 -5.3180 -5.0385 -5.0385 -4.6892 -4.6892 -4.3603 -4.3603 0.0348 0.0348 0.1989 0.1989 0.8416 0.8416 0.9409 0.9409 1.2432 1.2432 1.4357 1.4357 1.8324 1.8324 1.8882 1.8882 2.0300 2.0300 2.1562 2.1562 2.5268 2.5268 2.5631 2.5631 3.2256 3.2256 3.2875 3.2875 3.8627 3.8627 4.1312 4.1312 4.2867 4.2867 4.5230 4.5230 6.1524 6.1524 6.4649 6.4649 6.7941 6.7941 7.2920 7.2920 8.0586 8.0586 8.4371 8.4371 k = 0.2308 0.2308 0.5105 ( 7178 PWs) bands (ev): -13.1025 -13.1025 -13.1015 -13.1015 -11.6001 -11.6001 -11.5673 -11.5673 -11.5552 -11.5552 -11.5174 -11.5174 -5.3312 -5.3312 -5.0729 -5.0729 -4.6614 -4.6614 -4.3544 -4.3544 0.0082 0.0082 0.1607 0.1607 0.8582 0.8582 0.9537 0.9537 1.2357 1.2357 1.4264 1.4264 1.8319 1.8319 1.8895 1.8895 2.0403 2.0403 2.1601 2.1601 2.5814 2.5814 2.6183 2.6183 3.2428 3.2428 3.3092 3.3092 3.8515 3.8515 4.0967 4.0967 4.3032 4.3032 4.5196 4.5196 6.1279 6.1279 6.4382 6.4382 6.7633 6.7633 7.2518 7.2518 8.0889 8.0889 8.4784 8.4784 k = 0.2179 0.2179 0.5105 ( 7174 PWs) bands (ev): -13.1085 -13.1085 -13.1076 -13.1076 -11.5943 -11.5943 -11.5592 -11.5592 -11.5528 -11.5528 -11.5128 -11.5128 -5.3437 -5.3437 -5.1068 -5.1068 -4.6337 -4.6337 -4.3496 -4.3496 -0.0174 -0.0174 0.1233 0.1233 0.8742 0.8742 0.9689 0.9689 1.2287 1.2287 1.4167 1.4167 1.8306 1.8306 1.8895 1.8895 2.0507 2.0507 2.1639 2.1639 2.6375 2.6375 2.6742 2.6742 3.2600 3.2600 3.3307 3.3307 3.8402 3.8402 4.0618 4.0618 4.3192 4.3192 4.5160 4.5160 6.1038 6.1038 6.4082 6.4082 6.7342 6.7342 7.2082 7.2082 8.1208 8.1208 8.5190 8.5190 k = 0.2051 0.2051 0.5105 ( 7186 PWs) bands (ev): -13.1144 -13.1144 -13.1135 -13.1135 -11.5887 -11.5887 -11.5537 -11.5537 -11.5480 -11.5480 -11.5083 -11.5083 -5.3553 -5.3553 -5.1401 -5.1401 -4.6063 -4.6063 -4.3457 -4.3457 -0.0419 -0.0419 0.0871 0.0871 0.8895 0.8895 0.9858 0.9858 1.2223 1.2223 1.4067 1.4067 1.8285 1.8285 1.8884 1.8884 2.0612 2.0612 2.1675 2.1675 2.6950 2.6950 2.7303 2.7303 3.2769 3.2769 3.3518 3.3518 3.8289 3.8289 4.0266 4.0266 4.3346 4.3346 4.5121 4.5121 6.0802 6.0802 6.3750 6.3750 6.7068 6.7068 7.1618 7.1618 8.1537 8.1537 8.5580 8.5580 k = 0.1923 0.1923 0.5105 ( 7174 PWs) bands (ev): -13.1201 -13.1201 -13.1192 -13.1192 -11.5832 -11.5832 -11.5512 -11.5512 -11.5403 -11.5403 -11.5038 -11.5038 -5.3662 -5.3662 -5.1723 -5.1723 -4.5794 -4.5794 -4.3427 -4.3427 -0.0653 -0.0653 0.0520 0.0520 0.9046 0.9046 1.0041 1.0041 1.2168 1.2168 1.3965 1.3965 1.8258 1.8258 1.8861 1.8861 2.0717 2.0717 2.1709 2.1709 2.7534 2.7534 2.7862 2.7862 3.2934 3.2934 3.3722 3.3722 3.8173 3.8173 3.9914 3.9914 4.3494 4.3494 4.5080 4.5080 6.0572 6.0572 6.3389 6.3389 6.6814 6.6814 7.1135 7.1135 8.1873 8.1873 8.5939 8.5939 k = 0.1795 0.1795 0.5105 ( 7166 PWs) bands (ev): -13.1255 -13.1255 -13.1248 -13.1248 -11.5779 -11.5779 -11.5493 -11.5493 -11.5322 -11.5322 -11.4995 -11.4995 -5.3762 -5.3762 -5.2035 -5.2035 -4.5532 -4.5532 -4.3405 -4.3405 -0.0874 -0.0874 0.0185 0.0185 0.9195 0.9195 1.0229 1.0229 1.2123 1.2123 1.3861 1.3861 1.8228 1.8228 1.8828 1.8828 2.0821 2.0821 2.1741 2.1741 2.8125 2.8125 2.8417 2.8417 3.3095 3.3095 3.3919 3.3919 3.8056 3.8056 3.9563 3.9563 4.3634 4.3634 4.5039 4.5039 6.0351 6.0351 6.3003 6.3003 6.6580 6.6580 7.0637 7.0637 8.2213 8.2213 8.6247 8.6247 k = 0.1667 0.1667 0.5105 ( 7174 PWs) bands (ev): -13.1308 -13.1308 -13.1301 -13.1301 -11.5728 -11.5728 -11.5477 -11.5477 -11.5243 -11.5243 -11.4953 -11.4953 -5.3854 -5.3854 -5.2333 -5.2333 -4.5278 -4.5278 -4.3391 -4.3391 -0.1083 -0.1083 -0.0135 -0.0135 0.9345 0.9345 1.0414 1.0414 1.2090 1.2090 1.3757 1.3757 1.8195 1.8195 1.8786 1.8786 2.0924 2.0924 2.1772 2.1772 2.8718 2.8718 2.8967 2.8967 3.3249 3.3249 3.4106 3.4106 3.7936 3.7936 3.9215 3.9215 4.3768 4.3768 4.4997 4.4997 6.0138 6.0138 6.2600 6.2600 6.6364 6.6364 7.0131 7.0131 8.2554 8.2554 8.6472 8.6472 k = 0.1538 0.1538 0.5105 ( 7162 PWs) bands (ev): -13.1358 -13.1358 -13.1351 -13.1351 -11.5680 -11.5680 -11.5462 -11.5462 -11.5167 -11.5167 -11.4913 -11.4913 -5.3938 -5.3938 -5.2617 -5.2617 -4.5034 -4.5034 -4.3383 -4.3383 -0.1279 -0.1279 -0.0437 -0.0437 0.9496 0.9496 1.0590 1.0590 1.2073 1.2073 1.3652 1.3652 1.8162 1.8162 1.8736 1.8736 2.1025 2.1025 2.1801 2.1801 2.9306 2.9306 2.9510 2.9510 3.3395 3.3395 3.4283 3.4283 3.7812 3.7812 3.8872 3.8872 4.3893 4.3893 4.4955 4.4955 5.9937 5.9937 6.2184 6.2184 6.6166 6.6166 6.9624 6.9624 8.2891 8.2891 8.6586 8.6586 k = 0.1410 0.1410 0.5105 ( 7158 PWs) bands (ev): -13.1405 -13.1405 -13.1399 -13.1399 -11.5635 -11.5635 -11.5448 -11.5448 -11.5094 -11.5094 -11.4875 -11.4875 -5.4015 -5.4015 -5.2885 -5.2885 -4.4803 -4.4803 -4.3380 -4.3380 -0.1460 -0.1460 -0.0720 -0.0720 0.9650 0.9650 1.0749 1.0749 1.2075 1.2075 1.3548 1.3548 1.8130 1.8130 1.8679 1.8679 2.1123 2.1123 2.1828 2.1828 2.9881 2.9881 3.0049 3.0049 3.3534 3.3534 3.4447 3.4447 3.7682 3.7682 3.8534 3.8534 4.4011 4.4011 4.4915 4.4915 5.9747 5.9747 6.1764 6.1764 6.5985 6.5985 6.9123 6.9123 8.3223 8.3223 8.6598 8.6598 k = 0.1282 0.1282 0.5105 ( 7174 PWs) bands (ev): -13.1449 -13.1449 -13.1443 -13.1443 -11.5592 -11.5592 -11.5435 -11.5435 -11.5025 -11.5025 -11.4840 -11.4840 -5.4084 -5.4084 -5.3135 -5.3135 -4.4585 -4.4585 -4.3383 -4.3383 -0.1628 -0.1628 -0.0983 -0.0983 0.9805 0.9805 1.0882 1.0882 1.2100 1.2100 1.3444 1.3444 1.8101 1.8101 1.8616 1.8616 2.1217 2.1217 2.1853 2.1853 3.0430 3.0430 3.0593 3.0593 3.3665 3.3665 3.4599 3.4599 3.7546 3.7546 3.8203 3.8203 4.4119 4.4119 4.4875 4.4875 5.9570 5.9570 6.1346 6.1346 6.5822 6.5822 6.8634 6.8634 8.3546 8.3546 8.6548 8.6548 k = 0.1154 0.1154 0.5105 ( 7148 PWs) bands (ev): -13.1489 -13.1489 -13.1484 -13.1484 -11.5553 -11.5553 -11.5423 -11.5423 -11.4961 -11.4961 -11.4807 -11.4807 -5.4145 -5.4145 -5.3365 -5.3365 -4.4382 -4.4382 -4.3388 -4.3388 -0.1780 -0.1780 -0.1225 -0.1225 0.9962 0.9962 1.0985 1.0985 1.2149 1.2149 1.3342 1.3342 1.8075 1.8075 1.8549 1.8549 2.1307 2.1307 2.1874 2.1874 3.0944 3.0944 3.1143 3.1143 3.3786 3.3786 3.4738 3.4738 3.7399 3.7399 3.7882 3.7882 4.4220 4.4220 4.4838 4.4838 5.9407 5.9407 6.0938 6.0938 6.5677 6.5677 6.8163 6.8163 8.3857 8.3857 8.6470 8.6470 k = 0.1026 0.1026 0.5105 ( 7136 PWs) bands (ev): -13.1526 -13.1526 -13.1522 -13.1522 -11.5518 -11.5518 -11.5412 -11.5412 -11.4902 -11.4902 -11.4777 -11.4777 -5.4199 -5.4199 -5.3574 -5.3574 -4.4196 -4.4196 -4.3396 -4.3396 -0.1916 -0.1916 -0.1445 -0.1445 1.0118 1.0118 1.1058 1.1058 1.2219 1.2219 1.3242 1.3242 1.8054 1.8054 1.8480 1.8480 2.1393 2.1393 2.1892 2.1892 3.1426 3.1426 3.1689 3.1689 3.3898 3.3898 3.4863 3.4863 3.7238 3.7238 3.7572 3.7572 4.4310 4.4310 4.4804 4.4804 5.9259 5.9259 6.0547 6.0547 6.5550 6.5550 6.7716 6.7716 8.4152 8.4152 8.6384 8.6384 k = 0.0897 0.0897 0.5105 ( 7130 PWs) bands (ev): -13.1558 -13.1558 -13.1555 -13.1555 -11.5486 -11.5486 -11.5402 -11.5402 -11.4849 -11.4849 -11.4750 -11.4750 -5.4246 -5.4246 -5.3762 -5.3762 -4.4029 -4.4029 -4.3406 -4.3406 -0.2037 -0.2037 -0.1643 -0.1643 1.0272 1.0272 1.1105 1.1105 1.2303 1.2303 1.3144 1.3144 1.8037 1.8037 1.8409 1.8409 2.1473 2.1473 2.1906 2.1906 3.1881 3.1881 3.2221 3.2221 3.4001 3.4001 3.4974 3.4974 3.7056 3.7056 3.7280 3.7280 4.4391 4.4391 4.4773 4.4773 5.9128 5.9128 6.0179 6.0179 6.5443 6.5443 6.7297 6.7297 8.4428 8.4428 8.6299 8.6299 k = 0.0769 0.0769 0.5105 ( 7146 PWs) bands (ev): -13.1587 -13.1587 -13.1585 -13.1585 -11.5458 -11.5458 -11.5394 -11.5394 -11.4802 -11.4802 -11.4726 -11.4726 -5.4286 -5.4286 -5.3927 -5.3927 -4.3881 -4.3881 -4.3417 -4.3417 -0.2140 -0.2140 -0.1818 -0.1818 1.0421 1.0421 1.1131 1.1131 1.2393 1.2393 1.3051 1.3051 1.8025 1.8025 1.8340 1.8340 2.1547 2.1547 2.1915 2.1915 3.2310 3.2310 3.2729 3.2729 3.4098 3.4098 3.5070 3.5070 3.6836 3.6836 3.7019 3.7019 4.4462 4.4462 4.4745 4.4745 5.9012 5.9012 5.9842 5.9842 6.5358 6.5358 6.6912 6.6912 8.4683 8.4683 8.6216 8.6216 k = 0.0641 0.0641 0.5105 ( 7154 PWs) bands (ev): -13.1612 -13.1612 -13.1610 -13.1610 -11.5433 -11.5433 -11.5386 -11.5386 -11.4762 -11.4762 -11.4705 -11.4705 -5.4320 -5.4320 -5.4068 -5.4068 -4.3754 -4.3754 -4.3428 -4.3428 -0.2227 -0.2227 -0.1969 -0.1969 1.0563 1.0563 1.1143 1.1143 1.2480 1.2480 1.2963 1.2963 1.8018 1.8018 1.8275 1.8275 2.1615 2.1615 2.1920 2.1920 3.2712 3.2712 3.3200 3.3200 3.4195 3.4195 3.5153 3.5153 3.6582 3.6582 3.6786 3.6786 4.4523 4.4523 4.4721 4.4721 5.8915 5.8915 5.9543 5.9543 6.5297 6.5297 6.6564 6.6564 8.4915 8.4915 8.6137 8.6137 k = 0.0513 0.0513 0.5105 ( 7154 PWs) bands (ev): -13.1632 -13.1632 -13.1631 -13.1631 -11.5413 -11.5413 -11.5381 -11.5381 -11.4728 -11.4728 -11.4689 -11.4689 -5.4347 -5.4347 -5.4185 -5.4185 -4.3649 -4.3649 -4.3438 -4.3438 -0.2295 -0.2295 -0.2096 -0.2096 1.0694 1.0694 1.1143 1.1143 1.2558 1.2558 1.2882 1.2882 1.8016 1.8016 1.8216 1.8216 2.1677 2.1677 2.1919 2.1919 3.3085 3.3085 3.3612 3.3612 3.4311 3.4311 3.5221 3.5221 3.6316 3.6316 3.6557 3.6557 4.4573 4.4573 4.4701 4.4701 5.8836 5.8836 5.9286 5.9286 6.5262 6.5262 6.6255 6.6255 8.5121 8.5121 8.6060 8.6060 k = 0.0385 0.0385 0.5105 ( 7156 PWs) bands (ev): -13.1648 -13.1648 -13.1647 -13.1647 -11.5398 -11.5398 -11.5376 -11.5376 -11.4701 -11.4701 -11.4676 -11.4676 -5.4368 -5.4368 -5.4277 -5.4277 -4.3566 -4.3566 -4.3446 -4.3446 -0.2344 -0.2344 -0.2199 -0.2199 1.0811 1.0811 1.1135 1.1135 1.2623 1.2623 1.2813 1.2813 1.8018 1.8018 1.8163 1.8163 2.1731 2.1731 2.1912 2.1912 3.3421 3.3421 3.3910 3.3910 3.4496 3.4496 3.5277 3.5277 3.6059 3.6059 3.6316 3.6316 4.4612 4.4612 4.4685 4.4685 5.8778 5.8778 5.9077 5.9077 6.5256 6.5256 6.5989 6.5989 8.5303 8.5303 8.5982 8.5982 k = 0.0256 0.0256 0.5105 ( 7160 PWs) bands (ev): -13.1659 -13.1659 -13.1659 -13.1659 -11.5386 -11.5386 -11.5373 -11.5373 -11.4682 -11.4682 -11.4667 -11.4667 -5.4383 -5.4383 -5.4342 -5.4342 -4.3506 -4.3506 -4.3452 -4.3452 -0.2373 -0.2373 -0.2279 -0.2279 1.0910 1.0910 1.1118 1.1118 1.2671 1.2671 1.2759 1.2759 1.8026 1.8026 1.8120 1.8120 2.1779 2.1779 2.1899 2.1899 3.3710 3.3710 3.4056 3.4056 3.4779 3.4779 3.5322 3.5322 3.5828 3.5828 3.6056 3.6056 4.4641 4.4641 4.4674 4.4674 5.8741 5.8741 5.8919 5.8919 6.5283 6.5283 6.5765 6.5765 8.5461 8.5461 8.5901 8.5901 k = 0.0128 0.0128 0.5105 ( 7164 PWs) bands (ev): -13.1666 -13.1666 -13.1666 -13.1666 -11.5378 -11.5378 -11.5372 -11.5372 -11.4669 -11.4669 -11.4662 -11.4662 -5.4392 -5.4392 -5.4382 -5.4382 -4.3470 -4.3470 -4.3456 -4.3456 -0.2382 -0.2382 -0.2336 -0.2336 1.0989 1.0989 1.1091 1.1091 1.2701 1.2701 1.2724 1.2724 1.8039 1.8039 1.8085 1.8085 2.1819 2.1819 2.1879 2.1879 3.3930 3.3930 3.4098 3.4098 3.5100 3.5100 3.5359 3.5359 3.5648 3.5648 3.5781 3.5781 4.4658 4.4658 4.4667 4.4667 5.8730 5.8730 5.8811 5.8811 6.5345 6.5345 6.5584 6.5584 8.5596 8.5596 8.5812 8.5812 k = 0.0000 0.0000 0.5105 ( 7144 PWs) bands (ev): -13.1668 -13.1668 -13.1668 -13.1668 -11.5374 -11.5374 -11.5374 -11.5374 -11.4663 -11.4663 -11.4663 -11.4663 -5.4395 -5.4395 -5.4395 -5.4395 -4.3458 -4.3458 -4.3458 -4.3458 -0.2370 -0.2370 -0.2370 -0.2370 1.1049 1.1049 1.1049 1.1049 1.2711 1.2711 1.2711 1.2711 1.8058 1.8058 1.8058 1.8058 2.1853 2.1853 2.1853 2.1853 3.4060 3.4060 3.4060 3.4060 3.5355 3.5355 3.5355 3.5355 3.5571 3.5571 3.5571 3.5571 4.4664 4.4664 4.4664 4.4664 5.8751 5.8751 5.8751 5.8751 6.5444 6.5444 6.5444 6.5444 8.5712 8.5712 8.5712 8.5712 k = 0.0000 0.5000-0.0000 ( 7156 PWs) bands (ev): -13.5224 -13.5224 -12.5825 -12.5825 -12.0152 -12.0152 -11.8016 -11.8016 -11.2047 -11.2047 -11.1470 -11.1470 -5.4429 -5.4429 -5.4338 -5.4338 -4.9411 -4.9411 -3.8995 -3.8995 -0.0853 -0.0853 0.0558 0.0558 0.4707 0.4707 0.7983 0.7983 0.8885 0.8885 1.1283 1.1283 1.9762 1.9762 2.4025 2.4025 2.5755 2.5755 2.6489 2.6489 2.9057 2.9057 2.9803 2.9803 3.3999 3.3999 3.7494 3.7494 3.8413 3.8413 4.2230 4.2230 4.3674 4.3674 4.3958 4.3958 5.3203 5.3203 6.2889 6.2889 6.9376 6.9376 7.3096 7.3096 7.9025 7.9025 8.3699 8.3699 k = 0.0000 0.5000 0.0182 ( 7148 PWs) bands (ev): -13.5218 -13.5218 -12.5834 -12.5834 -12.0147 -12.0147 -11.8012 -11.8012 -11.2055 -11.2055 -11.1476 -11.1476 -5.4423 -5.4423 -5.4323 -5.4323 -4.9413 -4.9413 -3.9004 -3.9004 -0.0841 -0.0841 0.0566 0.0566 0.4701 0.4701 0.7981 0.7981 0.8900 0.8900 1.1291 1.1291 1.9744 1.9744 2.4013 2.4013 2.5711 2.5711 2.6501 2.6501 2.9092 2.9092 2.9763 2.9763 3.3977 3.3977 3.7494 3.7494 3.8423 3.8423 4.2233 4.2233 4.3660 4.3660 4.3941 4.3941 5.3230 5.3230 6.2922 6.2922 6.9369 6.9369 7.3099 7.3099 7.9010 7.9010 8.3728 8.3728 k = 0.0000 0.5000 0.0365 ( 7156 PWs) bands (ev): -13.5198 -13.5198 -12.5860 -12.5860 -12.0130 -12.0130 -11.7998 -11.7998 -11.2077 -11.2077 -11.1495 -11.1495 -5.4405 -5.4405 -5.4277 -5.4277 -4.9419 -4.9419 -3.9032 -3.9032 -0.0804 -0.0804 0.0592 0.0592 0.4681 0.4681 0.7977 0.7977 0.8945 0.8945 1.1316 1.1316 1.9692 1.9692 2.3974 2.3974 2.5584 2.5584 2.6534 2.6534 2.9194 2.9194 2.9642 2.9642 3.3910 3.3910 3.7494 3.7494 3.8454 3.8454 4.2243 4.2243 4.3619 4.3619 4.3890 4.3890 5.3313 5.3313 6.3020 6.3020 6.9347 6.9347 7.3107 7.3107 7.8965 7.8965 8.3813 8.3813 k = 0.0000 0.5000 0.0547 ( 7156 PWs) bands (ev): -13.5167 -13.5167 -12.5904 -12.5904 -12.0103 -12.0103 -11.7976 -11.7976 -11.2114 -11.2114 -11.1526 -11.1526 -5.4376 -5.4376 -5.4202 -5.4202 -4.9429 -4.9429 -3.9078 -3.9078 -0.0744 -0.0744 0.0636 0.0636 0.4650 0.4650 0.7971 0.7971 0.9017 0.9017 1.1358 1.1358 1.9606 1.9606 2.3910 2.3910 2.5393 2.5393 2.6582 2.6582 2.9340 2.9340 2.9451 2.9451 3.3800 3.3800 3.7494 3.7494 3.8503 3.8503 4.2258 4.2258 4.3555 4.3555 4.3806 4.3806 5.3448 5.3448 6.3181 6.3181 6.9311 6.9311 7.3120 7.3120 7.8897 7.8897 8.3948 8.3948 k = 0.0000 0.5000 0.0729 ( 7162 PWs) bands (ev): -13.5123 -13.5123 -12.5964 -12.5964 -12.0064 -12.0064 -11.7946 -11.7946 -11.2166 -11.2166 -11.1569 -11.1569 -5.4335 -5.4335 -5.4097 -5.4097 -4.9443 -4.9443 -3.9142 -3.9142 -0.0661 -0.0661 0.0696 0.0696 0.4606 0.4606 0.7966 0.7966 0.9117 0.9117 1.1419 1.1419 1.9490 1.9490 2.3821 2.3821 2.5153 2.5153 2.6642 2.6642 2.9161 2.9161 2.9546 2.9546 3.3648 3.3648 3.7491 3.7491 3.8572 3.8572 4.2278 4.2278 4.3471 4.3471 4.3693 4.3693 5.3633 5.3633 6.3401 6.3401 6.9261 6.9261 7.3137 7.3137 7.8809 7.8809 8.4127 8.4127 k = 0.0000 0.5000 0.0912 ( 7164 PWs) bands (ev): -13.5066 -13.5066 -12.6041 -12.6041 -12.0015 -12.0015 -11.7906 -11.7906 -11.2232 -11.2232 -11.1624 -11.1624 -5.4283 -5.4283 -5.3963 -5.3963 -4.9461 -4.9461 -3.9224 -3.9224 -0.0556 -0.0556 0.0773 0.0773 0.4550 0.4550 0.7965 0.7965 0.9243 0.9243 1.1501 1.1501 1.9347 1.9347 2.3707 2.3707 2.4880 2.4880 2.6707 2.6707 2.8817 2.8817 2.9759 2.9759 3.3454 3.3454 3.7482 3.7482 3.8660 3.8660 4.2302 4.2302 4.3373 4.3373 4.3554 4.3554 5.3865 5.3865 6.3675 6.3675 6.9197 6.9197 7.3158 7.3158 7.8708 7.8708 8.4339 8.4339 k = 0.0000 0.5000 0.1094 ( 7176 PWs) bands (ev): -13.4997 -13.4997 -12.6134 -12.6134 -11.9954 -11.9954 -11.7858 -11.7858 -11.2312 -11.2312 -11.1691 -11.1691 -5.4220 -5.4220 -5.3801 -5.3801 -4.9483 -4.9483 -3.9325 -3.9325 -0.0433 -0.0433 0.0866 0.0866 0.4484 0.4484 0.7970 0.7970 0.9394 0.9394 1.1604 1.1604 1.9181 1.9181 2.3568 2.3568 2.4587 2.4587 2.6771 2.6771 2.8407 2.8407 2.9985 2.9985 3.3221 3.3221 3.7465 3.7465 3.8764 3.8764 4.2328 4.2328 4.3264 4.3264 4.3395 4.3395 5.4141 5.4141 6.3998 6.3998 6.9119 6.9119 7.3180 7.3180 7.8600 7.8600 8.4573 8.4573 k = 0.0000 0.5000 0.1276 ( 7152 PWs) bands (ev): -13.4915 -13.4915 -12.6244 -12.6244 -11.9884 -11.9884 -11.7801 -11.7801 -11.2406 -11.2406 -11.1769 -11.1769 -5.4146 -5.4146 -5.3611 -5.3611 -4.9510 -4.9510 -3.9443 -3.9443 -0.0295 -0.0295 0.0974 0.0974 0.4409 0.4409 0.7983 0.7983 0.9569 0.9569 1.1730 1.1730 1.8993 1.8993 2.3403 2.3403 2.4283 2.4283 2.6827 2.6827 2.7940 2.7940 3.0215 3.0215 3.2950 3.2950 3.7439 3.7439 3.8885 3.8885 4.2353 4.2353 4.3142 4.3142 4.3231 4.3231 5.4456 5.4456 6.4363 6.4363 6.9029 6.9029 7.3204 7.3204 7.8490 7.8490 8.4819 8.4819 k = 0.0000 0.5000 0.1459 ( 7156 PWs) bands (ev): -13.4822 -13.4822 -12.6369 -12.6369 -11.9802 -11.9802 -11.7736 -11.7736 -11.2513 -11.2513 -11.1857 -11.1857 -5.4062 -5.4062 -5.3395 -5.3395 -4.9541 -4.9541 -3.9579 -3.9579 -0.0146 -0.0146 0.1099 0.1099 0.4328 0.4328 0.8007 0.8007 0.9770 0.9770 1.1881 1.1881 1.8789 1.8789 2.3210 2.3210 2.3978 2.3978 2.6860 2.6860 2.7430 2.7430 3.0440 3.0440 3.2646 3.2646 3.7400 3.7400 3.9020 3.9020 4.2373 4.2373 4.2985 4.2985 4.3097 4.3097 5.4806 5.4806 6.4763 6.4763 6.8926 6.8926 7.3227 7.3227 7.8383 7.8383 8.5058 8.5058 k = 0.0000 0.5000 0.1641 ( 7160 PWs) bands (ev): -13.4716 -13.4716 -12.6508 -12.6508 -11.9710 -11.9710 -11.7663 -11.7663 -11.2632 -11.2632 -11.1956 -11.1956 -5.3969 -5.3969 -5.3154 -5.3154 -4.9576 -4.9576 -3.9734 -3.9734 0.0010 0.0010 0.1238 0.1238 0.4246 0.4246 0.8043 0.8043 0.9994 0.9994 1.2058 1.2058 1.8570 1.8570 2.2986 2.2986 2.3681 2.3681 2.6740 2.6740 2.7009 2.7009 3.0649 3.0649 3.2317 3.2317 3.7348 3.7348 3.9168 3.9168 4.2383 4.2383 4.2801 4.2801 4.2998 4.2998 5.5188 5.5188 6.5190 6.5190 6.8813 6.8813 7.3248 7.3248 7.8282 7.8282 8.5271 8.5271 k = 0.0000 0.5000 0.1823 ( 7148 PWs) bands (ev): -13.4599 -13.4599 -12.6662 -12.6662 -11.9608 -11.9608 -11.7581 -11.7581 -11.2764 -11.2764 -11.2065 -11.2065 -5.3867 -5.3867 -5.2888 -5.2888 -4.9617 -4.9617 -3.9907 -3.9907 0.0165 0.0165 0.1390 0.1390 0.4168 0.4168 0.8095 0.8095 1.0244 1.0244 1.2261 1.2261 1.8338 1.8338 2.2728 2.2728 2.3399 2.3399 2.6196 2.6196 2.6947 2.6947 3.0814 3.0814 3.1990 3.1990 3.7282 3.7282 3.9327 3.9327 4.2365 4.2365 4.2629 4.2629 4.2922 4.2922 5.5598 5.5598 6.5636 6.5636 6.8693 6.8693 7.3267 7.3267 7.8191 7.8191 8.5426 8.5426 k = 0.0000 0.5000 0.2005 ( 7152 PWs) bands (ev): -13.4471 -13.4471 -12.6829 -12.6829 -11.9497 -11.9497 -11.7492 -11.7492 -11.2907 -11.2907 -11.2183 -11.2183 -5.3757 -5.3757 -5.2600 -5.2600 -4.9662 -4.9662 -4.0098 -4.0098 0.0315 0.0315 0.1552 0.1552 0.4105 0.4105 0.8163 0.8163 1.0517 1.0517 1.2491 1.2491 1.8096 1.8096 2.2439 2.2439 2.3136 2.3136 2.5565 2.5565 2.6911 2.6911 3.0856 3.0856 3.1747 3.1747 3.7201 3.7201 3.9497 3.9497 4.2279 4.2279 4.2518 4.2518 4.2867 4.2867 5.6032 5.6032 6.6088 6.6088 6.8570 6.8570 7.3282 7.3282 7.8111 7.8111 8.5492 8.5492 k = 0.0000 0.5000 0.2188 ( 7148 PWs) bands (ev): -13.4331 -13.4331 -12.7009 -12.7009 -11.9375 -11.9375 -11.7394 -11.7394 -11.3061 -11.3061 -11.2310 -11.2310 -5.3638 -5.3638 -5.2290 -5.2290 -4.9713 -4.9713 -4.0306 -4.0306 0.0453 0.0453 0.1714 0.1714 0.4070 0.4070 0.8252 0.8252 1.0816 1.0816 1.2747 1.2747 1.7845 1.7845 2.2124 2.2124 2.2889 2.2889 2.4905 2.4905 2.6844 2.6844 3.0646 3.0646 3.1715 3.1715 3.7107 3.7107 3.9674 3.9674 4.2128 4.2128 4.2472 4.2472 4.2831 4.2831 5.6486 5.6486 6.6531 6.6531 6.8455 6.8455 7.3291 7.3291 7.8047 7.8047 8.5452 8.5452 k = 0.0000 0.5000 0.2370 ( 7162 PWs) bands (ev): -13.4180 -13.4180 -12.7201 -12.7201 -11.9244 -11.9244 -11.7290 -11.7290 -11.3225 -11.3225 -11.2445 -11.2445 -5.3513 -5.3513 -5.1960 -5.1960 -4.9769 -4.9769 -4.0533 -4.0533 0.0575 0.0575 0.1861 0.1861 0.4081 0.4081 0.8361 0.8361 1.1138 1.1138 1.3027 1.3027 1.7586 1.7586 2.1787 2.1787 2.2654 2.2654 2.4233 2.4233 2.6737 2.6737 3.0244 3.0244 3.1838 3.1838 3.7000 3.7000 3.9857 3.9857 4.1964 4.1964 4.2445 4.2445 4.2810 4.2810 5.6958 5.6958 6.6933 6.6933 6.8373 6.8373 7.3295 7.3295 7.7999 7.7999 8.5320 8.5320 k = 0.0000 0.5000 0.2552 ( 7156 PWs) bands (ev): -13.4019 -13.4019 -12.7404 -12.7404 -11.9104 -11.9104 -11.7178 -11.7178 -11.3399 -11.3399 -11.2588 -11.2588 -5.3381 -5.3381 -5.1612 -5.1612 -4.9831 -4.9831 -4.0776 -4.0776 0.0680 0.0680 0.1975 0.1975 0.4159 0.4159 0.8494 0.8494 1.1484 1.1484 1.3329 1.3329 1.7319 1.7319 2.1429 2.1429 2.2429 2.2429 2.3562 2.3562 2.6584 2.6584 2.9758 2.9758 3.2014 3.2014 3.6882 3.6882 4.0043 4.0043 4.1812 4.1812 4.2424 4.2424 4.2797 4.2797 5.7442 5.7442 6.7226 6.7226 6.8388 6.8388 7.3292 7.3292 7.7972 7.7972 8.5120 8.5120 k = 0.0000 0.5000 0.2735 ( 7172 PWs) bands (ev): -13.3847 -13.3847 -12.7617 -12.7617 -11.8955 -11.8955 -11.7059 -11.7059 -11.3581 -11.3581 -11.2737 -11.2737 -5.3243 -5.3243 -5.1248 -5.1248 -4.9898 -4.9898 -4.1037 -4.1037 0.0768 0.0768 0.2041 0.2041 0.4321 0.4321 0.8650 0.8650 1.1853 1.1853 1.3649 1.3649 1.7046 1.7046 2.1047 2.1047 2.2211 2.2211 2.2913 2.2913 2.6380 2.6380 2.9228 2.9228 3.2204 3.2204 3.6754 3.6754 4.0230 4.0230 4.1680 4.1680 4.2406 4.2406 4.2786 4.2786 5.7937 5.7937 6.7327 6.7327 6.8577 6.8577 7.3283 7.3283 7.7966 7.7966 8.4875 8.4875 k = 0.0000 0.5000 0.2917 ( 7170 PWs) bands (ev): -13.3666 -13.3666 -12.7839 -12.7839 -11.8797 -11.8797 -11.6933 -11.6933 -11.3772 -11.3772 -11.2893 -11.2893 -5.3101 -5.3101 -5.0868 -5.0868 -4.9970 -4.9970 -4.1315 -4.1315 0.0838 0.0838 0.2054 0.2054 0.4571 0.4571 0.8831 0.8831 1.2244 1.2244 1.3982 1.3982 1.6768 1.6768 2.0626 2.0626 2.2000 2.2000 2.2312 2.2312 2.6124 2.6124 2.8672 2.8672 3.2400 3.2400 3.6618 3.6618 4.0418 4.0418 4.1572 4.1572 4.2392 4.2392 4.2773 4.2773 5.8438 5.8438 6.7262 6.7262 6.8908 6.8908 7.3265 7.3265 7.7986 7.7986 8.4599 8.4599 k = 0.0000 0.5000 0.3099 ( 7172 PWs) bands (ev): -13.3475 -13.3475 -12.8070 -12.8070 -11.8632 -11.8632 -11.6801 -11.6801 -11.3970 -11.3970 -11.3054 -11.3054 -5.2955 -5.2955 -5.0475 -5.0475 -5.0048 -5.0048 -4.1609 -4.1609 0.0893 0.0893 0.2023 0.2023 0.4901 0.4901 0.9036 0.9036 1.2653 1.2653 1.4318 1.4318 1.6487 1.6487 2.0153 2.0153 2.1749 2.1749 2.1837 2.1837 2.5813 2.5813 2.8097 2.8097 3.2595 3.2595 3.6474 3.6474 4.0602 4.0602 4.1491 4.1491 4.2381 4.2381 4.2756 4.2756 5.8943 5.8943 6.7111 6.7111 6.9296 6.9296 7.3240 7.3240 7.8033 7.8033 8.4301 8.4301 k = 0.0000 0.5000 0.3282 ( 7184 PWs) bands (ev): -13.3275 -13.3275 -12.8308 -12.8308 -11.8458 -11.8458 -11.6662 -11.6662 -11.4174 -11.4174 -11.3220 -11.3220 -5.2806 -5.2806 -5.0139 -5.0139 -5.0063 -5.0063 -4.1919 -4.1919 0.0936 0.0936 0.1960 0.1960 0.5298 0.5298 0.9264 0.9264 1.3074 1.3074 1.4642 1.4642 1.6210 1.6210 1.9630 1.9630 2.1336 2.1336 2.1628 2.1628 2.5449 2.5449 2.7513 2.7513 3.2790 3.2790 3.6324 3.6324 4.0782 4.0782 4.1436 4.1436 4.2371 4.2371 4.2732 4.2732 5.9447 5.9447 6.6919 6.6919 6.9693 6.9693 7.3207 7.3207 7.8109 7.8109 8.3987 8.3987 k = 0.0000 0.5000 0.3464 ( 7184 PWs) bands (ev): -13.3067 -13.3067 -12.8552 -12.8552 -11.8278 -11.8278 -11.6518 -11.6518 -11.4383 -11.4383 -11.3390 -11.3390 -5.2654 -5.2654 -5.0224 -5.0224 -4.9652 -4.9652 -4.2244 -4.2244 0.0967 0.0967 0.1878 0.1878 0.5749 0.5749 0.9515 0.9515 1.3498 1.3498 1.4919 1.4919 1.5955 1.5955 1.9088 1.9088 2.0989 2.0989 2.1457 2.1457 2.5031 2.5031 2.6925 2.6925 3.2983 3.2983 3.6169 3.6169 4.0956 4.0956 4.1408 4.1408 4.2362 4.2362 4.2701 4.2701 5.9949 5.9949 6.6700 6.6700 7.0078 7.0078 7.3166 7.3166 7.8216 7.8216 8.3661 8.3661 k = 0.0000 0.5000 0.3646 ( 7162 PWs) bands (ev): -13.2850 -13.2850 -12.8803 -12.8803 -11.8090 -11.8090 -11.6368 -11.6368 -11.4598 -11.4598 -11.3564 -11.3564 -5.2500 -5.2500 -5.0320 -5.0320 -4.9229 -4.9229 -4.2583 -4.2583 0.0990 0.0990 0.1786 0.1786 0.6246 0.6246 0.9786 0.9786 1.3896 1.3896 1.5078 1.5078 1.5776 1.5776 1.8587 1.8587 2.0712 2.0712 2.1307 2.1307 2.4564 2.4564 2.6340 2.6340 3.3174 3.3174 3.6011 3.6011 4.1122 4.1122 4.1404 4.1404 4.2351 4.2351 4.2662 4.2662 6.0446 6.0446 6.6463 6.6463 7.0442 7.0442 7.3117 7.3117 7.8356 7.8356 8.3324 8.3324 k = 0.0000 0.5000 0.3829 ( 7174 PWs) bands (ev): -13.2626 -13.2626 -12.9057 -12.9057 -11.7896 -11.7896 -11.6214 -11.6214 -11.4816 -11.4816 -11.3741 -11.3741 -5.2345 -5.2345 -5.0423 -5.0423 -4.8798 -4.8798 -4.2937 -4.2937 0.1008 0.1008 0.1690 0.1690 0.6780 0.6780 1.0076 1.0076 1.4194 1.4194 1.5042 1.5042 1.5746 1.5746 1.8213 1.8213 2.0490 2.0490 2.1185 2.1185 2.4055 2.4055 2.5759 2.5759 3.3364 3.3364 3.5848 3.5848 4.1279 4.1279 4.1422 4.1422 4.2337 4.2337 4.2615 4.2615 6.0935 6.0935 6.6208 6.6208 7.0779 7.0779 7.3059 7.3059 7.8529 7.8529 8.2980 8.2980 k = 0.0000 0.5000 0.4011 ( 7182 PWs) bands (ev): -13.2395 -13.2395 -12.9316 -12.9316 -11.7696 -11.7696 -11.6055 -11.6055 -11.5038 -11.5038 -11.3921 -11.3921 -5.2190 -5.2190 -5.0531 -5.0531 -4.8362 -4.8362 -4.3305 -4.3305 0.1023 0.1023 0.1595 0.1595 0.7347 0.7347 1.0382 1.0382 1.4252 1.4252 1.4874 1.4874 1.5864 1.5864 1.8048 1.8048 2.0314 2.0314 2.1097 2.1097 2.3513 2.3513 2.5187 2.5187 3.3552 3.3552 3.5683 3.5683 4.1425 4.1425 4.1459 4.1459 4.2318 4.2318 4.2561 4.2561 6.1413 6.1413 6.5937 6.5937 7.1088 7.1088 7.2992 7.2992 7.8734 7.8734 8.2629 8.2629 k = 0.0000 0.5000 0.4193 ( 7182 PWs) bands (ev): -13.2157 -13.2157 -12.9577 -12.9577 -11.7491 -11.7491 -11.5892 -11.5892 -11.5260 -11.5260 -11.4102 -11.4102 -5.2035 -5.2035 -5.0644 -5.0644 -4.7924 -4.7924 -4.3685 -4.3685 0.1037 0.1037 0.1505 0.1505 0.7942 0.7942 1.0703 1.0703 1.4053 1.4053 1.4553 1.4553 1.6165 1.6165 1.8086 1.8086 2.0180 2.0180 2.1055 2.1055 2.2951 2.2951 2.4624 2.4624 3.3738 3.3738 3.5515 3.5515 4.1513 4.1513 4.1560 4.1560 4.2293 4.2293 4.2501 4.2501 6.1879 6.1879 6.5652 6.5652 7.1366 7.1366 7.2916 7.2916 7.8969 7.8969 8.2273 8.2273 k = 0.0000 0.5000 0.4376 ( 7186 PWs) bands (ev): -13.1914 -13.1914 -12.9841 -12.9841 -11.7280 -11.7280 -11.5732 -11.5732 -11.5479 -11.5479 -11.4284 -11.4284 -5.1882 -5.1882 -5.0764 -5.0764 -4.7483 -4.7483 -4.4076 -4.4076 0.1054 0.1054 0.1421 0.1421 0.8562 0.8562 1.1034 1.1034 1.3704 1.3704 1.4099 1.4099 1.6595 1.6595 1.8232 1.8232 2.0086 2.0086 2.1069 2.1069 2.2388 2.2388 2.4074 2.4074 3.3922 3.3922 3.5344 3.5344 4.1578 4.1578 4.1680 4.1680 4.2261 4.2261 4.2438 4.2438 6.2331 6.2331 6.5350 6.5350 7.1616 7.1616 7.2830 7.2830 7.9232 7.9232 8.1915 8.1915 k = 0.0000 0.5000 0.4558 ( 7178 PWs) bands (ev): -13.1665 -13.1665 -13.0105 -13.0105 -11.7066 -11.7066 -11.5736 -11.5736 -11.5530 -11.5530 -11.4467 -11.4467 -5.1730 -5.1730 -5.0888 -5.0888 -4.7042 -4.7042 -4.4477 -4.4477 0.1074 0.1074 0.1345 0.1345 0.9202 0.9202 1.1371 1.1371 1.3218 1.3218 1.3646 1.3646 1.7071 1.7071 1.8389 1.8389 2.0039 2.0039 2.1135 2.1135 2.1862 2.1862 2.3539 2.3539 3.4105 3.4105 3.5172 3.5172 4.1653 4.1653 4.1783 4.1783 4.2222 4.2222 4.2374 4.2374 6.2767 6.2767 6.5032 6.5032 7.1838 7.1838 7.2733 7.2733 7.9520 7.9520 8.1555 8.1555 k = 0.0000 0.5000 0.4740 ( 7192 PWs) bands (ev): -13.1412 -13.1412 -13.0369 -13.0369 -11.6847 -11.6847 -11.5952 -11.5952 -11.5367 -11.5367 -11.4650 -11.4650 -5.1581 -5.1581 -5.1019 -5.1019 -4.6603 -4.6603 -4.4889 -4.4889 0.1099 0.1099 0.1278 0.1278 0.9859 0.9859 1.1698 1.1698 1.2632 1.2632 1.3247 1.3247 1.7542 1.7542 1.8481 1.8481 2.0056 2.0056 2.1085 2.1085 2.1578 2.1578 2.3027 2.3027 3.4287 3.4287 3.4998 3.4998 4.1731 4.1731 4.1860 4.1860 4.2185 4.2185 4.2310 4.2310 6.3188 6.3188 6.4698 6.4698 7.2035 7.2035 7.2624 7.2624 7.9829 7.9829 8.1197 8.1197 k = 0.0000 0.5000 0.4923 ( 7188 PWs) bands (ev): -13.1155 -13.1155 -13.0633 -13.0633 -11.6626 -11.6626 -11.6177 -11.6177 -11.5191 -11.5191 -11.4832 -11.4832 -5.1435 -5.1435 -5.1153 -5.1153 -4.6166 -4.6166 -4.5308 -4.5308 0.1131 0.1131 0.1220 0.1220 1.0527 1.0527 1.1772 1.1772 1.2254 1.2254 1.2873 1.2873 1.7962 1.7962 1.8455 1.8455 2.0163 2.0163 2.0725 2.0725 2.1765 2.1765 2.2547 2.2547 3.4467 3.4467 3.4822 3.4822 4.1807 4.1807 4.1893 4.1893 4.2171 4.2171 4.2250 4.2250 6.3591 6.3591 6.4346 6.4346 7.2210 7.2210 7.2502 7.2502 8.0154 8.0154 8.0842 8.0842 k = 0.0000 0.5000 0.5105 ( 7172 PWs) bands (ev): -13.0895 -13.0895 -13.0895 -13.0895 -11.6402 -11.6402 -11.6402 -11.6402 -11.5013 -11.5013 -11.5013 -11.5013 -5.1292 -5.1292 -5.1292 -5.1292 -4.5734 -4.5734 -4.5734 -4.5734 0.1171 0.1171 0.1171 0.1171 1.1193 1.1193 1.1193 1.1193 1.2518 1.2518 1.2518 1.2518 1.8280 1.8280 1.8280 1.8280 2.0387 2.0387 2.0387 2.0387 2.2118 2.2118 2.2118 2.2118 3.4645 3.4645 3.4645 3.4645 4.1868 4.1868 4.1868 4.1868 4.2198 4.2198 4.2198 4.2198 6.3977 6.3977 6.3977 6.3977 7.2364 7.2364 7.2364 7.2364 8.0493 8.0493 8.0493 8.0493 k = 0.5000 0.5000-0.0000 ( 7164 PWs) bands (ev): -13.4131 -13.4131 -12.5469 -12.5469 -12.0066 -12.0066 -12.0053 -12.0053 -11.2035 -11.2035 -11.2031 -11.2031 -5.6505 -5.6505 -4.6903 -4.6903 -4.6832 -4.6832 -4.4976 -4.4976 -0.6297 -0.6297 0.4999 0.4999 0.8953 0.8953 1.2340 1.2340 1.2434 1.2434 1.3520 1.3520 1.6184 1.6184 1.8562 1.8562 1.8653 1.8653 2.5166 2.5166 2.8040 2.8040 2.9360 2.9360 3.2642 3.2642 3.3245 3.3245 3.4820 3.4820 4.3241 4.3241 4.3261 4.3261 4.4956 4.4956 6.2901 6.2901 6.3175 6.3175 6.9916 6.9916 7.8017 7.8017 8.0654 8.0654 8.2494 8.2494 k = 0.5000 0.5000 0.0182 ( 7156 PWs) bands (ev): -13.4125 -13.4125 -12.5477 -12.5477 -12.0061 -12.0061 -12.0048 -12.0048 -11.2042 -11.2042 -11.2038 -11.2038 -5.6495 -5.6495 -4.6899 -4.6899 -4.6829 -4.6829 -4.4983 -4.4983 -0.6279 -0.6279 0.5009 0.5009 0.8961 0.8961 1.2339 1.2339 1.2431 1.2431 1.3508 1.3508 1.6187 1.6187 1.8551 1.8551 1.8655 1.8655 2.5155 2.5155 2.8034 2.8034 2.9301 2.9301 3.2634 3.2634 3.3238 3.3238 3.4870 3.4870 4.3230 4.3230 4.3248 4.3248 4.4964 4.4964 6.2915 6.2915 6.3181 6.3181 6.9925 6.9925 7.8013 7.8013 8.0606 8.0606 8.2485 8.2485 k = 0.5000 0.5000 0.0365 ( 7164 PWs) bands (ev): -13.4107 -13.4107 -12.5501 -12.5501 -12.0044 -12.0044 -12.0031 -12.0031 -11.2064 -11.2064 -11.2059 -11.2059 -5.6464 -5.6464 -4.6888 -4.6888 -4.6818 -4.6818 -4.5007 -4.5007 -0.6225 -0.6225 0.5040 0.5040 0.8984 0.8984 1.2337 1.2337 1.2422 1.2422 1.3472 1.3472 1.6195 1.6195 1.8518 1.8518 1.8660 1.8660 2.5123 2.5123 2.8013 2.8013 2.9129 2.9129 3.2610 3.2610 3.3218 3.3218 3.5014 3.5014 4.3196 4.3196 4.3209 4.3209 4.4987 4.4987 6.2955 6.2955 6.3196 6.3196 6.9950 6.9950 7.8000 7.8000 8.0473 8.0473 8.2456 8.2456 k = 0.5000 0.5000 0.0547 ( 7164 PWs) bands (ev): -13.4078 -13.4078 -12.5541 -12.5541 -12.0017 -12.0017 -12.0005 -12.0005 -11.2100 -11.2100 -11.2095 -11.2095 -5.6413 -5.6413 -4.6870 -4.6870 -4.6801 -4.6801 -4.5046 -4.5046 -0.6134 -0.6134 0.5093 0.5093 0.9023 0.9023 1.2333 1.2333 1.2408 1.2408 1.3414 1.3414 1.6209 1.6209 1.8465 1.8465 1.8669 1.8669 2.5069 2.5069 2.7977 2.7977 2.8856 2.8856 3.2570 3.2570 3.3184 3.3184 3.5240 3.5240 4.3142 4.3142 4.3146 4.3146 4.5024 4.5024 6.3020 6.3020 6.3221 6.3221 6.9993 6.9993 7.7975 7.7975 8.0274 8.0274 8.2410 8.2410 k = 0.5000 0.5000 0.0729 ( 7172 PWs) bands (ev): -13.4037 -13.4037 -12.5596 -12.5596 -11.9980 -11.9980 -11.9967 -11.9967 -11.2150 -11.2150 -11.2145 -11.2145 -5.6342 -5.6342 -4.6845 -4.6845 -4.6776 -4.6776 -4.5101 -4.5101 -0.6008 -0.6008 0.5165 0.5165 0.9075 0.9075 1.2328 1.2328 1.2387 1.2387 1.3339 1.3339 1.6228 1.6228 1.8391 1.8391 1.8681 1.8681 2.4993 2.4993 2.7927 2.7927 2.8499 2.8499 3.2515 3.2515 3.3136 3.3136 3.5531 3.5531 4.3058 4.3058 4.3067 4.3067 4.5075 4.5075 6.3109 6.3109 6.3257 6.3257 7.0050 7.0050 7.7932 7.7932 8.0041 8.0041 8.2346 8.2346 k = 0.5000 0.5000 0.0912 ( 7180 PWs) bands (ev): -13.3985 -13.3985 -12.5667 -12.5667 -11.9931 -11.9931 -11.9919 -11.9919 -11.2214 -11.2214 -11.2209 -11.2209 -5.6251 -5.6251 -4.6814 -4.6814 -4.6746 -4.6746 -4.5171 -4.5171 -0.5846 -0.5846 0.5257 0.5257 0.9138 0.9138 1.2321 1.2321 1.2359 1.2359 1.3252 1.3252 1.6254 1.6254 1.8300 1.8300 1.8695 1.8695 2.4895 2.4895 2.7861 2.7861 2.8074 2.8074 3.2446 3.2446 3.3076 3.3076 3.5875 3.5875 4.2949 4.2949 4.2973 4.2973 4.5139 4.5139 6.3218 6.3218 6.3302 6.3302 7.0123 7.0123 7.7861 7.7861 7.9800 7.9800 8.2267 8.2267 k = 0.5000 0.5000 0.1094 ( 7172 PWs) bands (ev): -13.3921 -13.3921 -12.5754 -12.5754 -11.9873 -11.9873 -11.9860 -11.9860 -11.2292 -11.2292 -11.2287 -11.2287 -5.6140 -5.6140 -4.6776 -4.6776 -4.6709 -4.6709 -4.5257 -4.5257 -0.5649 -0.5649 0.5368 0.5368 0.9210 0.9210 1.2314 1.2314 1.2319 1.2319 1.3161 1.3161 1.6286 1.6286 1.8192 1.8192 1.8712 1.8712 2.4772 2.4772 2.7593 2.7593 2.7778 2.7778 3.2364 3.2364 3.3004 3.3004 3.6258 3.6258 4.2820 4.2820 4.2862 4.2862 4.5213 4.5213 6.3345 6.3345 6.3356 6.3356 7.0210 7.0210 7.7750 7.7750 7.9580 7.9580 8.2174 8.2174 k = 0.5000 0.5000 0.1276 ( 7164 PWs) bands (ev): -13.3845 -13.3845 -12.5854 -12.5854 -11.9803 -11.9803 -11.9791 -11.9791 -11.2383 -11.2383 -11.2378 -11.2378 -5.6010 -5.6010 -4.6732 -4.6732 -4.6666 -4.6666 -4.5358 -4.5358 -0.5417 -0.5417 0.5497 0.5497 0.9286 0.9286 1.2262 1.2262 1.2305 1.2305 1.3080 1.3080 1.6324 1.6324 1.8071 1.8071 1.8729 1.8729 2.4623 2.4623 2.7068 2.7068 2.7677 2.7677 3.2269 3.2269 3.2920 3.2920 3.6672 3.6672 4.2673 4.2673 4.2736 4.2736 4.5296 4.5296 6.3419 6.3419 6.3486 6.3486 7.0309 7.0309 7.7591 7.7591 7.9401 7.9401 8.2068 8.2068 k = 0.5000 0.5000 0.1459 ( 7164 PWs) bands (ev): -13.3759 -13.3759 -12.5969 -12.5969 -11.9724 -11.9724 -11.9712 -11.9712 -11.2486 -11.2486 -11.2481 -11.2481 -5.5862 -5.5862 -4.6683 -4.6683 -4.6619 -4.6619 -4.5474 -4.5474 -0.5150 -0.5150 0.5643 0.5643 0.9363 0.9363 1.2180 1.2180 1.2297 1.2297 1.3023 1.3023 1.6369 1.6369 1.7939 1.7939 1.8747 1.8747 2.4442 2.4442 2.6514 2.6514 2.7557 2.7557 3.2163 3.2163 3.2825 3.2825 3.7108 3.7108 4.2512 4.2512 4.2598 4.2598 4.5385 4.5385 6.3489 6.3489 6.3637 6.3637 7.0419 7.0419 7.7380 7.7380 7.9273 7.9273 8.1952 8.1952 k = 0.5000 0.5000 0.1641 ( 7180 PWs) bands (ev): -13.3661 -13.3661 -12.6098 -12.6098 -11.9634 -11.9634 -11.9622 -11.9622 -11.2602 -11.2602 -11.2597 -11.2597 -5.5697 -5.5697 -4.6630 -4.6630 -4.6568 -4.6568 -4.5605 -4.5605 -0.4850 -0.4850 0.5804 0.5804 0.9435 0.9435 1.2067 1.2067 1.2289 1.2289 1.3004 1.3004 1.6419 1.6419 1.7800 1.7800 1.8764 1.8764 2.4223 2.4223 2.5943 2.5943 2.7416 2.7416 3.2048 3.2048 3.2720 3.2720 3.7562 3.7562 4.2339 4.2339 4.2449 4.2449 4.5479 4.5479 6.3568 6.3568 6.3794 6.3794 7.0538 7.0538 7.7126 7.7126 7.9195 7.9195 8.1828 8.1828 k = 0.5000 0.5000 0.1823 ( 7172 PWs) bands (ev): -13.3553 -13.3553 -12.6240 -12.6240 -11.9535 -11.9535 -11.9523 -11.9523 -11.2730 -11.2730 -11.2724 -11.2724 -5.5514 -5.5514 -4.6573 -4.6573 -4.6512 -4.6512 -4.5750 -4.5750 -0.4516 -0.4516 0.5979 0.5979 0.9498 0.9498 1.1923 1.1923 1.2282 1.2282 1.3031 1.3031 1.6472 1.6472 1.7659 1.7659 1.8778 1.8778 2.3950 2.3950 2.5378 2.5378 2.7253 2.7253 3.1924 3.1924 3.2606 3.2606 3.8029 3.8029 4.2158 4.2158 4.2293 4.2293 4.5574 4.5574 6.3653 6.3653 6.3953 6.3953 7.0666 7.0666 7.6842 7.6842 7.9156 7.9156 8.1699 8.1699 k = 0.5000 0.5000 0.2005 ( 7180 PWs) bands (ev): -13.3434 -13.3434 -12.6394 -12.6394 -11.9426 -11.9426 -11.9414 -11.9414 -11.2868 -11.2868 -11.2863 -11.2863 -5.5315 -5.5315 -4.6513 -4.6513 -4.6454 -4.6454 -4.5910 -4.5910 -0.4150 -0.4150 0.6165 0.6165 0.9545 0.9545 1.1754 1.1754 1.2279 1.2279 1.3104 1.3104 1.6526 1.6526 1.7523 1.7523 1.8787 1.8787 2.3600 2.3600 2.4850 2.4850 2.7066 2.7066 3.1794 3.1794 3.2483 3.2483 3.8503 3.8503 4.1972 4.1972 4.2132 4.2132 4.5669 4.5669 6.3744 6.3744 6.4112 6.4112 7.0799 7.0799 7.6542 7.6542 7.9146 7.9146 8.1566 8.1566 k = 0.5000 0.5000 0.2188 ( 7164 PWs) bands (ev): -13.3305 -13.3305 -12.6559 -12.6559 -11.9308 -11.9308 -11.9296 -11.9296 -11.3017 -11.3017 -11.3012 -11.3012 -5.5100 -5.5100 -4.6450 -4.6450 -4.6393 -4.6393 -4.6084 -4.6084 -0.3752 -0.3752 0.6361 0.6361 0.9575 0.9575 1.1566 1.1566 1.2279 1.2279 1.3224 1.3224 1.6573 1.6573 1.7402 1.7402 1.8789 1.8789 2.3151 2.3151 2.4387 2.4387 2.6855 2.6855 3.1660 3.1660 3.2354 3.2354 3.8980 3.8980 4.1784 4.1784 4.1970 4.1970 4.5761 4.5761 6.3839 6.3839 6.4267 6.4267 7.0937 7.0937 7.6236 7.6236 7.9156 7.9156 8.1431 8.1431 k = 0.5000 0.5000 0.2370 ( 7144 PWs) bands (ev): -13.3166 -13.3166 -12.6736 -12.6736 -11.9181 -11.9181 -11.9169 -11.9169 -11.3176 -11.3176 -11.3170 -11.3170 -5.4870 -5.4870 -4.6389 -4.6389 -4.6331 -4.6331 -4.6268 -4.6268 -0.3324 -0.3324 0.6564 0.6564 0.9583 0.9583 1.1365 1.1365 1.2285 1.2285 1.3386 1.3386 1.6600 1.6600 1.7312 1.7312 1.8780 1.8780 2.2610 2.2610 2.3992 2.3992 2.6619 2.6619 3.1523 3.1523 3.2219 3.2219 3.9455 3.9455 4.1598 4.1598 4.1810 4.1810 4.5848 4.5848 6.3939 6.3939 6.4415 6.4415 7.1077 7.1077 7.5933 7.5933 7.9179 7.9179 8.1296 8.1296 k = 0.5000 0.5000 0.2552 ( 7164 PWs) bands (ev): -13.3017 -13.3017 -12.6923 -12.6923 -11.9045 -11.9045 -11.9034 -11.9034 -11.3344 -11.3344 -11.3338 -11.3338 -5.4628 -5.4628 -4.6478 -4.6478 -4.6316 -4.6316 -4.6268 -4.6268 -0.2866 -0.2866 0.6771 0.6771 0.9569 0.9569 1.1157 1.1157 1.2297 1.2297 1.3588 1.3588 1.6593 1.6593 1.7271 1.7271 1.8753 1.8753 2.2013 2.2013 2.3641 2.3641 2.6356 2.6356 3.1386 3.1386 3.2079 3.2079 3.9923 3.9923 4.1416 4.1416 4.1658 4.1658 4.5926 4.5926 6.4041 6.4041 6.4554 6.4554 7.1219 7.1219 7.5637 7.5637 7.9213 7.9213 8.1164 8.1164 k = 0.5000 0.5000 0.2735 ( 7164 PWs) bands (ev): -13.2858 -13.2858 -12.7119 -12.7119 -11.8901 -11.8901 -11.8890 -11.8890 -11.3520 -11.3520 -11.3514 -11.3514 -5.4372 -5.4372 -4.6690 -4.6690 -4.6252 -4.6252 -4.6205 -4.6205 -0.2381 -0.2381 0.6980 0.6980 0.9531 0.9531 1.0943 1.0943 1.2318 1.2318 1.3825 1.3825 1.6547 1.6547 1.7287 1.7287 1.8698 1.8698 2.1401 2.1401 2.3309 2.3309 2.6067 2.6067 3.1249 3.1249 3.1935 3.1935 4.0370 4.0370 4.1242 4.1242 4.1525 4.1525 4.5995 4.5995 6.4144 6.4144 6.4682 6.4682 7.1361 7.1361 7.5351 7.5351 7.9252 7.9252 8.1035 8.1035 k = 0.5000 0.5000 0.2917 ( 7160 PWs) bands (ev): -13.2691 -13.2691 -12.7323 -12.7323 -11.8749 -11.8749 -11.8738 -11.8738 -11.3703 -11.3703 -11.3697 -11.3697 -5.4105 -5.4105 -4.6917 -4.6917 -4.6188 -4.6188 -4.6143 -4.6143 -0.1868 -0.1868 0.7187 0.7187 0.9469 0.9469 1.0727 1.0727 1.2349 1.2349 1.4092 1.4092 1.6478 1.6478 1.7349 1.7349 1.8599 1.8599 2.0814 2.0814 2.2983 2.2983 2.5751 2.5751 3.1117 3.1117 3.1790 3.1790 4.0756 4.0756 4.1077 4.1077 4.1452 4.1452 4.6051 4.6051 6.4248 6.4248 6.4797 6.4797 7.1501 7.1501 7.5079 7.5079 7.9296 7.9296 8.0911 8.0911 k = 0.5000 0.5000 0.3099 ( 7160 PWs) bands (ev): -13.2514 -13.2514 -12.7536 -12.7536 -11.8590 -11.8590 -11.8579 -11.8579 -11.3893 -11.3893 -11.3887 -11.3887 -5.3827 -5.3827 -4.7155 -4.7155 -4.6125 -4.6125 -4.6083 -4.6083 -0.1330 -0.1330 0.7390 0.7390 0.9383 0.9383 1.0511 1.0511 1.2390 1.2390 1.4380 1.4380 1.6405 1.6405 1.7441 1.7441 1.8431 1.8431 2.0293 2.0293 2.2657 2.2657 2.5410 2.5410 3.0990 3.0990 3.1644 3.1644 4.0924 4.0924 4.0939 4.0939 4.1578 4.1578 4.6093 4.6093 6.4351 6.4351 6.4899 6.4899 7.1639 7.1639 7.4822 7.4822 7.9343 7.9343 8.0792 8.0792 k = 0.5000 0.5000 0.3282 ( 7180 PWs) bands (ev): -13.2330 -13.2330 -12.7755 -12.7755 -11.8424 -11.8424 -11.8413 -11.8413 -11.4088 -11.4088 -11.4082 -11.4082 -5.3539 -5.3539 -4.7406 -4.7406 -4.6064 -4.6064 -4.6026 -4.6026 -0.0768 -0.0768 0.7585 0.7585 0.9267 0.9267 1.0300 1.0300 1.2441 1.2441 1.4676 1.4676 1.6344 1.6344 1.7550 1.7550 1.8171 1.8171 1.9879 1.9879 2.2330 2.2330 2.5045 2.5045 3.0871 3.0871 3.1499 3.1499 4.0784 4.0784 4.0902 4.0902 4.1919 4.1919 4.6119 4.6119 6.4452 6.4452 6.4987 6.4987 7.1773 7.1773 7.4581 7.4581 7.9392 7.9392 8.0680 8.0680 k = 0.5000 0.5000 0.3464 ( 7188 PWs) bands (ev): -13.2137 -13.2137 -12.7980 -12.7980 -11.8252 -11.8252 -11.8241 -11.8241 -11.4288 -11.4288 -11.4281 -11.4281 -5.3244 -5.3244 -4.7667 -4.7667 -4.6007 -4.6007 -4.5972 -4.5972 -0.0185 -0.0185 0.7770 0.7770 0.9116 0.9116 1.0099 1.0099 1.2502 1.2502 1.4958 1.4958 1.6305 1.6305 1.7671 1.7671 1.7835 1.7835 1.9581 1.9581 2.2005 2.2005 2.4657 2.4657 3.0761 3.0761 3.1356 3.1356 4.0658 4.0658 4.0806 4.0806 4.2315 4.2315 4.6127 4.6127 6.4549 6.4549 6.5061 6.5061 7.1904 7.1904 7.4356 7.4356 7.9441 7.9441 8.0575 8.0575 k = 0.5000 0.5000 0.3646 ( 7180 PWs) bands (ev): -13.1938 -13.1938 -12.8210 -12.8210 -11.8074 -11.8074 -11.8064 -11.8064 -11.4491 -11.4491 -11.4484 -11.4484 -5.2940 -5.2940 -4.7937 -4.7937 -4.5952 -4.5952 -4.5921 -4.5921 0.0417 0.0417 0.7944 0.7944 0.8922 0.8922 0.9912 0.9912 1.2573 1.2573 1.5184 1.5184 1.6296 1.6296 1.7499 1.7499 1.7799 1.7799 1.9366 1.9366 2.1687 2.1687 2.4249 2.4249 3.0663 3.0663 3.1218 3.1218 4.0547 4.0547 4.0701 4.0701 4.2712 4.2712 4.6116 4.6116 6.4643 6.4643 6.5121 6.5121 7.2031 7.2031 7.4147 7.4147 7.9491 7.9491 8.0477 8.0477 k = 0.5000 0.5000 0.3829 ( 7180 PWs) bands (ev): -13.1731 -13.1731 -12.8445 -12.8445 -11.7892 -11.7892 -11.7883 -11.7883 -11.4696 -11.4696 -11.4689 -11.4689 -5.2630 -5.2630 -4.8217 -4.8217 -4.5903 -4.5903 -4.5875 -4.5875 0.1035 0.1035 0.8105 0.8105 0.8677 0.8677 0.9745 0.9745 1.2653 1.2653 1.5280 1.5280 1.6323 1.6323 1.7283 1.7283 1.7929 1.7929 1.9190 1.9190 2.1383 2.1383 2.3824 2.3824 3.0579 3.0579 3.1085 3.1085 4.0451 4.0451 4.0601 4.0601 4.3098 4.3098 4.6084 4.6084 6.4732 6.4732 6.5168 6.5168 7.2154 7.2154 7.3954 7.3954 7.9541 7.9541 8.0385 8.0385 k = 0.5000 0.5000 0.4011 ( 7172 PWs) bands (ev): -13.1518 -13.1518 -12.8683 -12.8683 -11.7708 -11.7708 -11.7699 -11.7699 -11.4902 -11.4902 -11.4895 -11.4895 -5.2314 -5.2314 -4.8507 -4.8507 -4.5858 -4.5858 -4.5834 -4.5834 0.1667 0.1667 0.8253 0.8253 0.8376 0.8376 0.9598 0.9598 1.2740 1.2740 1.5179 1.5179 1.6391 1.6391 1.7278 1.7278 1.8060 1.8060 1.9020 1.9020 2.1105 2.1105 2.3386 2.3386 3.0509 3.0509 3.0960 3.0960 4.0371 4.0371 4.0510 4.0510 4.3465 4.3465 4.6031 4.6031 6.4815 6.4815 6.5201 6.5201 7.2273 7.2273 7.3776 7.3776 7.9591 7.9591 8.0300 8.0300 k = 0.5000 0.5000 0.4193 ( 7164 PWs) bands (ev): -13.1299 -13.1299 -12.8923 -12.8923 -11.7523 -11.7523 -11.7514 -11.7514 -11.5105 -11.5105 -11.5098 -11.5098 -5.1994 -5.1994 -4.8803 -4.8803 -4.5819 -4.5819 -4.5799 -4.5799 0.2308 0.2308 0.8019 0.8019 0.8389 0.8389 0.9467 0.9467 1.2834 1.2834 1.4922 1.4922 1.6500 1.6500 1.7459 1.7459 1.8188 1.8188 1.8839 1.8839 2.0865 2.0865 2.2939 2.2939 3.0455 3.0455 3.0843 3.0843 4.0306 4.0306 4.0429 4.0429 4.3813 4.3813 4.5954 4.5954 6.4892 6.4892 6.5222 6.5222 7.2389 7.2389 7.3612 7.3612 7.9641 7.9641 8.0222 8.0222 k = 0.5000 0.5000 0.4376 ( 7176 PWs) bands (ev): -13.1074 -13.1074 -12.9165 -12.9165 -11.7340 -11.7340 -11.7332 -11.7332 -11.5302 -11.5302 -11.5295 -11.5295 -5.1672 -5.1672 -4.9107 -4.9107 -4.5786 -4.5786 -4.5770 -4.5770 0.2955 0.2955 0.7606 0.7606 0.8514 0.8514 0.9350 0.9350 1.2937 1.2937 1.4604 1.4604 1.6651 1.6651 1.7728 1.7728 1.8308 1.8308 1.8636 1.8636 2.0681 2.0681 2.2490 2.2490 3.0418 3.0418 3.0737 3.0737 4.0256 4.0256 4.0358 4.0358 4.4139 4.4139 4.5853 4.5853 6.4962 6.4962 6.5232 6.5232 7.2501 7.2501 7.3460 7.3460 7.9692 7.9692 8.0149 8.0149 k = 0.5000 0.5000 0.4558 ( 7176 PWs) bands (ev): -13.0845 -13.0845 -12.9409 -12.9409 -11.7166 -11.7166 -11.7158 -11.7158 -11.5488 -11.5488 -11.5482 -11.5482 -5.1347 -5.1347 -4.9417 -4.9417 -4.5760 -4.5760 -4.5747 -4.5747 0.3603 0.3603 0.7142 0.7142 0.8630 0.8630 0.9241 0.9241 1.3053 1.3053 1.4285 1.4285 1.6840 1.6840 1.8003 1.8003 1.8415 1.8415 1.8417 1.8417 2.0573 2.0573 2.2046 2.2046 3.0398 3.0398 3.0643 3.0643 4.0221 4.0221 4.0300 4.0300 4.4441 4.4441 4.5728 4.5728 6.5025 6.5025 6.5230 6.5230 7.2612 7.2612 7.3319 7.3319 7.9742 7.9742 8.0081 8.0081 k = 0.5000 0.5000 0.4740 ( 7160 PWs) bands (ev): -13.0612 -13.0612 -12.9652 -12.9652 -11.7010 -11.7010 -11.7004 -11.7004 -11.5651 -11.5651 -11.5646 -11.5646 -5.1022 -5.1022 -4.9731 -4.9731 -4.5740 -4.5740 -4.5731 -4.5731 0.4245 0.4245 0.6630 0.6630 0.8738 0.8738 0.9138 0.9138 1.3185 1.3185 1.3994 1.3994 1.7063 1.7063 1.8080 1.8080 1.8335 1.8335 1.8502 1.8502 2.0565 2.0565 2.1621 2.1621 3.0397 3.0397 3.0562 3.0562 4.0200 4.0200 4.0254 4.0254 4.4719 4.4719 4.5577 4.5577 6.5080 6.5080 6.5219 6.5219 7.2723 7.2723 7.3188 7.3188 7.9794 7.9794 8.0018 8.0018 k = 0.5000 0.5000 0.4923 ( 7168 PWs) bands (ev): -13.0376 -13.0376 -12.9895 -12.9895 -11.6893 -11.6893 -11.6890 -11.6890 -11.5771 -11.5771 -11.5768 -11.5768 -5.0696 -5.0696 -5.0050 -5.0050 -4.5727 -4.5727 -4.5723 -4.5723 0.4877 0.4877 0.6077 0.6077 0.8841 0.8841 0.9039 0.9039 1.3339 1.3339 1.3739 1.3739 1.7311 1.7311 1.7844 1.7844 1.8476 1.8476 1.8554 1.8554 2.0675 2.0675 2.1232 2.1232 3.0413 3.0413 3.0496 3.0496 4.0194 4.0194 4.0221 4.0221 4.4972 4.4972 4.5401 4.5401 6.5128 6.5128 6.5197 6.5197 7.2834 7.2834 7.3065 7.3065 7.9846 7.9846 7.9958 7.9958 k = 0.5000 0.5000 0.5105 ( 7152 PWs) bands (ev): -13.0136 -13.0136 -13.0136 -13.0136 -11.6847 -11.6847 -11.6847 -11.6847 -11.5816 -11.5816 -11.5816 -11.5816 -5.0372 -5.0372 -5.0372 -5.0372 -4.5721 -4.5721 -4.5721 -4.5721 0.5490 0.5490 0.5490 0.5490 0.8940 0.8940 0.8940 0.8940 1.3522 1.3522 1.3522 1.3522 1.7576 1.7576 1.7576 1.7576 1.8553 1.8553 1.8553 1.8553 2.0906 2.0906 2.0906 2.0906 3.0446 3.0446 3.0446 3.0446 4.0201 4.0201 4.0201 4.0201 4.5200 4.5200 4.5200 4.5200 6.5167 6.5167 6.5167 6.5167 7.2947 7.2947 7.2947 7.2947 7.9901 7.9901 7.9901 7.9901 Writing output data file Bi2O3.save init_run : 0.28s CPU 0.57s WALL ( 1 calls) electrons : 644.44s CPU 671.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.05s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 644.44s CPU 671.42s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 279 calls) cegterg : 619.20s CPU 644.55s WALL ( 813 calls) Called by sum_band: Called by *egterg: h_psi : 344.59s CPU 375.39s WALL ( 13924 calls) s_psi : 16.00s CPU 16.13s WALL ( 13924 calls) g_psi : 1.24s CPU 1.11s WALL ( 12832 calls) cdiaghg : 177.69s CPU 173.12s WALL ( 13111 calls) cegterg:over : 39.50s CPU 37.65s WALL ( 12832 calls) cegterg:upda : 19.21s CPU 23.31s WALL ( 12832 calls) cegterg:last : 16.40s CPU 17.22s WALL ( 2072 calls) Called by h_psi: h_psi:vloc : 308.04s CPU 337.87s WALL ( 13924 calls) h_psi:vnl : 36.24s CPU 36.78s WALL ( 13924 calls) add_vuspsi : 13.70s CPU 16.42s WALL ( 13924 calls) General routines calbec : 22.51s CPU 20.33s WALL ( 13924 calls) fft : 0.03s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 294.86s CPU 323.26s WALL ( 1619192 calls) interpolate : 0.01s CPU 0.02s WALL ( 4 calls) davcio : 0.05s CPU 0.18s WALL ( 558 calls) Parallel routines fft_scatter : 181.68s CPU 200.34s WALL ( 1619215 calls) PWSCF : 11m18.00s CPU 12m 1.51s WALL This run was terminated on: 1:42:35 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=