Program PWSCF v.5.1.1 starts on 7Oct2015 at 23:22:35 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./Sr2SO.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 31 18 5 1287 566 91 Max 32 19 6 1295 583 98 Sum 1489 877 261 62045 27523 4501 bravais-lattice index = 14 lattice parameter (alat) = 7.6406 a.u. unit-cell volume = 630.8106 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 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)= 7.640609 celldm(2)= 1.000000 celldm(3)= 1.414214 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 1.414214 ) 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 0.707107 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 3 for Sr read from file: /home/autes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) O 6.00 15.99940 O( 1.00) Sr 10.00 87.62000 Sr( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 359 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0027855 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0027855 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0027855 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0027855 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0027855 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0027855 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0027855 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0027855 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0027855 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0027855 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0027855 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0027855 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0027855 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0027855 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0027855 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0027855 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0027855 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0027855 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0027855 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0027855 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0027855 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0027855 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0027855 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0027855 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0027855 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0027855 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0027855 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0027855 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0027855 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0027855 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0027855 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0027855 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0027855 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0027855 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0027855 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0027855 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0027855 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0027855 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0027855 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0027855 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0027855 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0027855 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0027855 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0027855 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0027855 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0027855 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0027855 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0027855 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0027855 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0027855 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0027855 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0027855 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0027855 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0027855 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0027855 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0027855 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0027855 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0027855 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0027855 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0027855 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0027855 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0027855 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0027855 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0027855 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0027855 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0027855 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0027855 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0027855 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0027855 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0027855 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0027855 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0027855 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0027855 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0027855 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0027855 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0027855 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0027855 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0027855 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0027855 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0027855 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0027855 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0027855 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0027855 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0027855 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0027855 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0027855 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0027855 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0027855 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0027855 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0027855 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0027855 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0027855 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 138) = ( 0.0000000 0.0000000 0.0126269), wk = 0.0027855 k( 139) = ( 0.0000000 0.0000000 0.0252538), wk = 0.0027855 k( 140) = ( 0.0000000 0.0000000 0.0378807), wk = 0.0027855 k( 141) = ( 0.0000000 0.0000000 0.0505076), wk = 0.0027855 k( 142) = ( 0.0000000 0.0000000 0.0631345), wk = 0.0027855 k( 143) = ( 0.0000000 0.0000000 0.0757614), wk = 0.0027855 k( 144) = ( 0.0000000 0.0000000 0.0883883), wk = 0.0027855 k( 145) = ( 0.0000000 0.0000000 0.1010153), wk = 0.0027855 k( 146) = ( 0.0000000 0.0000000 0.1136422), wk = 0.0027855 k( 147) = ( 0.0000000 0.0000000 0.1262691), wk = 0.0027855 k( 148) = ( 0.0000000 0.0000000 0.1388960), wk = 0.0027855 k( 149) = ( 0.0000000 0.0000000 0.1515229), wk = 0.0027855 k( 150) = ( 0.0000000 0.0000000 0.1641498), wk = 0.0027855 k( 151) = ( 0.0000000 0.0000000 0.1767767), wk = 0.0027855 k( 152) = ( 0.0000000 0.0000000 0.1894036), wk = 0.0027855 k( 153) = ( 0.0000000 0.0000000 0.2020305), wk = 0.0027855 k( 154) = ( 0.0000000 0.0000000 0.2146574), wk = 0.0027855 k( 155) = ( 0.0000000 0.0000000 0.2272843), wk = 0.0027855 k( 156) = ( 0.0000000 0.0000000 0.2399112), wk = 0.0027855 k( 157) = ( 0.0000000 0.0000000 0.2525381), wk = 0.0027855 k( 158) = ( 0.0000000 0.0000000 0.2651650), wk = 0.0027855 k( 159) = ( 0.0000000 0.0000000 0.2777919), wk = 0.0027855 k( 160) = ( 0.0000000 0.0000000 0.2904189), wk = 0.0027855 k( 161) = ( 0.0000000 0.0000000 0.3030458), wk = 0.0027855 k( 162) = ( 0.0000000 0.0000000 0.3156727), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.3282996), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.3409265), wk = 0.0027855 k( 165) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0027855 k( 166) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0027855 k( 167) = ( 0.0000000 0.0128205 0.3535534), wk = 0.0027855 k( 168) = ( 0.0000000 0.0256410 0.3535534), wk = 0.0027855 k( 169) = ( 0.0000000 0.0384615 0.3535534), wk = 0.0027855 k( 170) = ( 0.0000000 0.0512821 0.3535534), wk = 0.0027855 k( 171) = ( 0.0000000 0.0641026 0.3535534), wk = 0.0027855 k( 172) = ( 0.0000000 0.0769231 0.3535534), wk = 0.0027855 k( 173) = ( 0.0000000 0.0897436 0.3535534), wk = 0.0027855 k( 174) = ( 0.0000000 0.1025641 0.3535534), wk = 0.0027855 k( 175) = ( 0.0000000 0.1153846 0.3535534), wk = 0.0027855 k( 176) = ( 0.0000000 0.1282051 0.3535534), wk = 0.0027855 k( 177) = ( 0.0000000 0.1410256 0.3535534), wk = 0.0027855 k( 178) = ( 0.0000000 0.1538461 0.3535534), wk = 0.0027855 k( 179) = ( 0.0000000 0.1666667 0.3535534), wk = 0.0027855 k( 180) = ( 0.0000000 0.1794872 0.3535534), wk = 0.0027855 k( 181) = ( 0.0000000 0.1923077 0.3535534), wk = 0.0027855 k( 182) = ( 0.0000000 0.2051282 0.3535534), wk = 0.0027855 k( 183) = ( 0.0000000 0.2179487 0.3535534), wk = 0.0027855 k( 184) = ( 0.0000000 0.2307692 0.3535534), wk = 0.0027855 k( 185) = ( 0.0000000 0.2435897 0.3535534), wk = 0.0027855 k( 186) = ( 0.0000000 0.2564103 0.3535534), wk = 0.0027855 k( 187) = ( 0.0000000 0.2692308 0.3535534), wk = 0.0027855 k( 188) = ( 0.0000000 0.2820513 0.3535534), wk = 0.0027855 k( 189) = ( 0.0000000 0.2948718 0.3535534), wk = 0.0027855 k( 190) = ( 0.0000000 0.3076923 0.3535534), wk = 0.0027855 k( 191) = ( 0.0000000 0.3205128 0.3535534), wk = 0.0027855 k( 192) = ( 0.0000000 0.3333333 0.3535534), wk = 0.0027855 k( 193) = ( 0.0000000 0.3461538 0.3535534), wk = 0.0027855 k( 194) = ( 0.0000000 0.3589744 0.3535534), wk = 0.0027855 k( 195) = ( 0.0000000 0.3717949 0.3535534), wk = 0.0027855 k( 196) = ( 0.0000000 0.3846154 0.3535534), wk = 0.0027855 k( 197) = ( 0.0000000 0.3974359 0.3535534), wk = 0.0027855 k( 198) = ( 0.0000000 0.4102564 0.3535534), wk = 0.0027855 k( 199) = ( 0.0000000 0.4230769 0.3535534), wk = 0.0027855 k( 200) = ( 0.0000000 0.4358974 0.3535534), wk = 0.0027855 k( 201) = ( 0.0000000 0.4487179 0.3535534), wk = 0.0027855 k( 202) = ( 0.0000000 0.4615385 0.3535534), wk = 0.0027855 k( 203) = ( 0.0000000 0.4743590 0.3535534), wk = 0.0027855 k( 204) = ( 0.0000000 0.4871795 0.3535534), wk = 0.0027855 k( 205) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0027855 k( 206) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0027855 k( 207) = ( 0.0128205 0.5000000 0.3535534), wk = 0.0027855 k( 208) = ( 0.0256410 0.5000000 0.3535534), wk = 0.0027855 k( 209) = ( 0.0384615 0.5000000 0.3535534), wk = 0.0027855 k( 210) = ( 0.0512821 0.5000000 0.3535534), wk = 0.0027855 k( 211) = ( 0.0641026 0.5000000 0.3535534), wk = 0.0027855 k( 212) = ( 0.0769231 0.5000000 0.3535534), wk = 0.0027855 k( 213) = ( 0.0897436 0.5000000 0.3535534), wk = 0.0027855 k( 214) = ( 0.1025641 0.5000000 0.3535534), wk = 0.0027855 k( 215) = ( 0.1153846 0.5000000 0.3535534), wk = 0.0027855 k( 216) = ( 0.1282051 0.5000000 0.3535534), wk = 0.0027855 k( 217) = ( 0.1410256 0.5000000 0.3535534), wk = 0.0027855 k( 218) = ( 0.1538461 0.5000000 0.3535534), wk = 0.0027855 k( 219) = ( 0.1666667 0.5000000 0.3535534), wk = 0.0027855 k( 220) = ( 0.1794872 0.5000000 0.3535534), wk = 0.0027855 k( 221) = ( 0.1923077 0.5000000 0.3535534), wk = 0.0027855 k( 222) = ( 0.2051282 0.5000000 0.3535534), wk = 0.0027855 k( 223) = ( 0.2179487 0.5000000 0.3535534), wk = 0.0027855 k( 224) = ( 0.2307692 0.5000000 0.3535534), wk = 0.0027855 k( 225) = ( 0.2435897 0.5000000 0.3535534), wk = 0.0027855 k( 226) = ( 0.2564103 0.5000000 0.3535534), wk = 0.0027855 k( 227) = ( 0.2692308 0.5000000 0.3535534), wk = 0.0027855 k( 228) = ( 0.2820513 0.5000000 0.3535534), wk = 0.0027855 k( 229) = ( 0.2948718 0.5000000 0.3535534), wk = 0.0027855 k( 230) = ( 0.3076923 0.5000000 0.3535534), wk = 0.0027855 k( 231) = ( 0.3205128 0.5000000 0.3535534), wk = 0.0027855 k( 232) = ( 0.3333333 0.5000000 0.3535534), wk = 0.0027855 k( 233) = ( 0.3461538 0.5000000 0.3535534), wk = 0.0027855 k( 234) = ( 0.3589744 0.5000000 0.3535534), wk = 0.0027855 k( 235) = ( 0.3717949 0.5000000 0.3535534), wk = 0.0027855 k( 236) = ( 0.3846154 0.5000000 0.3535534), wk = 0.0027855 k( 237) = ( 0.3974359 0.5000000 0.3535534), wk = 0.0027855 k( 238) = ( 0.4102564 0.5000000 0.3535534), wk = 0.0027855 k( 239) = ( 0.4230769 0.5000000 0.3535534), wk = 0.0027855 k( 240) = ( 0.4358974 0.5000000 0.3535534), wk = 0.0027855 k( 241) = ( 0.4487179 0.5000000 0.3535534), wk = 0.0027855 k( 242) = ( 0.4615385 0.5000000 0.3535534), wk = 0.0027855 k( 243) = ( 0.4743590 0.5000000 0.3535534), wk = 0.0027855 k( 244) = ( 0.4871795 0.5000000 0.3535534), wk = 0.0027855 k( 245) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0027855 k( 246) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0027855 k( 247) = ( 0.4909091 0.4909091 0.3535534), wk = 0.0027855 k( 248) = ( 0.4818182 0.4818182 0.3535534), wk = 0.0027855 k( 249) = ( 0.4727273 0.4727273 0.3535534), wk = 0.0027855 k( 250) = ( 0.4636364 0.4636364 0.3535534), wk = 0.0027855 k( 251) = ( 0.4545455 0.4545454 0.3535534), wk = 0.0027855 k( 252) = ( 0.4454546 0.4454545 0.3535534), wk = 0.0027855 k( 253) = ( 0.4363636 0.4363636 0.3535534), wk = 0.0027855 k( 254) = ( 0.4272727 0.4272727 0.3535534), wk = 0.0027855 k( 255) = ( 0.4181818 0.4181818 0.3535534), wk = 0.0027855 k( 256) = ( 0.4090909 0.4090909 0.3535534), wk = 0.0027855 k( 257) = ( 0.4000000 0.4000000 0.3535534), wk = 0.0027855 k( 258) = ( 0.3909091 0.3909091 0.3535534), wk = 0.0027855 k( 259) = ( 0.3818182 0.3818182 0.3535534), wk = 0.0027855 k( 260) = ( 0.3727273 0.3727273 0.3535534), wk = 0.0027855 k( 261) = ( 0.3636364 0.3636364 0.3535534), wk = 0.0027855 k( 262) = ( 0.3545454 0.3545454 0.3535534), wk = 0.0027855 k( 263) = ( 0.3454546 0.3454545 0.3535534), wk = 0.0027855 k( 264) = ( 0.3363636 0.3363636 0.3535534), wk = 0.0027855 k( 265) = ( 0.3272727 0.3272727 0.3535534), wk = 0.0027855 k( 266) = ( 0.3181818 0.3181818 0.3535534), wk = 0.0027855 k( 267) = ( 0.3090909 0.3090909 0.3535534), wk = 0.0027855 k( 268) = ( 0.3000000 0.3000000 0.3535534), wk = 0.0027855 k( 269) = ( 0.2909091 0.2909091 0.3535534), wk = 0.0027855 k( 270) = ( 0.2818182 0.2818182 0.3535534), wk = 0.0027855 k( 271) = ( 0.2727273 0.2727273 0.3535534), wk = 0.0027855 k( 272) = ( 0.2636364 0.2636364 0.3535534), wk = 0.0027855 k( 273) = ( 0.2545455 0.2545455 0.3535534), wk = 0.0027855 k( 274) = ( 0.2454545 0.2454545 0.3535534), wk = 0.0027855 k( 275) = ( 0.2363636 0.2363636 0.3535534), wk = 0.0027855 k( 276) = ( 0.2272727 0.2272727 0.3535534), wk = 0.0027855 k( 277) = ( 0.2181818 0.2181818 0.3535534), wk = 0.0027855 k( 278) = ( 0.2090909 0.2090909 0.3535534), wk = 0.0027855 k( 279) = ( 0.2000000 0.2000000 0.3535534), wk = 0.0027855 k( 280) = ( 0.1909091 0.1909091 0.3535534), wk = 0.0027855 k( 281) = ( 0.1818182 0.1818182 0.3535534), wk = 0.0027855 k( 282) = ( 0.1727273 0.1727273 0.3535534), wk = 0.0027855 k( 283) = ( 0.1636364 0.1636364 0.3535534), wk = 0.0027855 k( 284) = ( 0.1545455 0.1545454 0.3535534), wk = 0.0027855 k( 285) = ( 0.1454545 0.1454545 0.3535534), wk = 0.0027855 k( 286) = ( 0.1363636 0.1363636 0.3535534), wk = 0.0027855 k( 287) = ( 0.1272727 0.1272727 0.3535534), wk = 0.0027855 k( 288) = ( 0.1181818 0.1181818 0.3535534), wk = 0.0027855 k( 289) = ( 0.1090909 0.1090909 0.3535534), wk = 0.0027855 k( 290) = ( 0.1000000 0.1000000 0.3535534), wk = 0.0027855 k( 291) = ( 0.0909091 0.0909091 0.3535534), wk = 0.0027855 k( 292) = ( 0.0818182 0.0818182 0.3535534), wk = 0.0027855 k( 293) = ( 0.0727273 0.0727273 0.3535534), wk = 0.0027855 k( 294) = ( 0.0636364 0.0636364 0.3535534), wk = 0.0027855 k( 295) = ( 0.0545455 0.0545454 0.3535534), wk = 0.0027855 k( 296) = ( 0.0454546 0.0454545 0.3535534), wk = 0.0027855 k( 297) = ( 0.0363636 0.0363636 0.3535534), wk = 0.0027855 k( 298) = ( 0.0272727 0.0272727 0.3535534), wk = 0.0027855 k( 299) = ( 0.0181818 0.0181818 0.3535534), wk = 0.0027855 k( 300) = ( 0.0090909 0.0090909 0.3535534), wk = 0.0027855 k( 301) = ( 0.0000000 0.0000000 0.3535534), wk = 0.0027855 k( 302) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027855 k( 303) = ( 0.0000000 0.5000000 0.0126269), wk = 0.0027855 k( 304) = ( 0.0000000 0.5000000 0.0252538), wk = 0.0027855 k( 305) = ( 0.0000000 0.5000000 0.0378807), wk = 0.0027855 k( 306) = ( 0.0000000 0.5000000 0.0505076), wk = 0.0027855 k( 307) = ( 0.0000000 0.5000000 0.0631345), wk = 0.0027855 k( 308) = ( 0.0000000 0.5000000 0.0757614), wk = 0.0027855 k( 309) = ( 0.0000000 0.5000000 0.0883883), wk = 0.0027855 k( 310) = ( 0.0000000 0.5000000 0.1010153), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.1136422), wk = 0.0027855 k( 312) = ( 0.0000000 0.5000000 0.1262691), wk = 0.0027855 k( 313) = ( 0.0000000 0.5000000 0.1388960), wk = 0.0027855 k( 314) = ( 0.0000000 0.5000000 0.1515229), wk = 0.0027855 k( 315) = ( 0.0000000 0.5000000 0.1641498), wk = 0.0027855 k( 316) = ( 0.0000000 0.5000000 0.1767767), wk = 0.0027855 k( 317) = ( 0.0000000 0.5000000 0.1894036), wk = 0.0027855 k( 318) = ( 0.0000000 0.5000000 0.2020305), wk = 0.0027855 k( 319) = ( 0.0000000 0.5000000 0.2146574), wk = 0.0027855 k( 320) = ( 0.0000000 0.5000000 0.2272843), wk = 0.0027855 k( 321) = ( 0.0000000 0.5000000 0.2399112), wk = 0.0027855 k( 322) = ( 0.0000000 0.5000000 0.2525381), wk = 0.0027855 k( 323) = ( 0.0000000 0.5000000 0.2651650), wk = 0.0027855 k( 324) = ( 0.0000000 0.5000000 0.2777919), wk = 0.0027855 k( 325) = ( 0.0000000 0.5000000 0.2904189), wk = 0.0027855 k( 326) = ( 0.0000000 0.5000000 0.3030458), wk = 0.0027855 k( 327) = ( 0.0000000 0.5000000 0.3156727), wk = 0.0027855 k( 328) = ( 0.0000000 0.5000000 0.3282996), wk = 0.0027855 k( 329) = ( 0.0000000 0.5000000 0.3409265), wk = 0.0027855 k( 330) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0027855 k( 331) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027855 k( 332) = ( 0.5000000 0.5000000 0.0126269), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 0.0252538), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.0378807), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.0505076), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.0631345), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.0757614), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.0883883), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.1010153), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.1136422), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.1262691), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.1388960), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.1515229), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.1641498), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.1767767), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.1894036), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.2020305), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.2146574), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.2272843), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.2399112), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.2525381), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.2651650), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.2777919), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.2904189), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.3030458), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.3156727), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.3282996), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.3409265), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0027855 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0027855 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0027855 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0027855 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0027855 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0027855 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0027855 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0027855 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0027855 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0027855 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0027855 k( 12) = ( 0.0000000 0.1410256 0.0000000), wk = 0.0027855 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0027855 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0027855 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0027855 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0027855 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0027855 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0027855 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0027855 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0027855 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0027855 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0027855 k( 23) = ( 0.0000000 0.2820513 0.0000000), wk = 0.0027855 k( 24) = ( 0.0000000 0.2948718 0.0000000), wk = 0.0027855 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0027855 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0027855 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0027855 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0027855 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0027855 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0027855 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0027855 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0027855 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0027855 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0027855 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0027855 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0027855 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0027855 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0027855 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0027855 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 42) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0027855 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0027855 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0027855 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0027855 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0027855 k( 47) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0027855 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0027855 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0027855 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0027855 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0027855 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0027855 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0027855 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0027855 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0027855 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0027855 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0027855 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0027855 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0027855 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0027855 k( 61) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0027855 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0027855 k( 63) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0027855 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0027855 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0027855 k( 66) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0027855 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0027855 k( 68) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0027855 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0027855 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0027855 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0027855 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0027855 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0027855 k( 74) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0027855 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0027855 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0027855 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0027855 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0027855 k( 79) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0027855 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0027855 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0027855 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0027855 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0027855 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0027855 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0027855 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0027855 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0027855 k( 90) = ( 0.4181818 0.4181818 0.0000000), wk = 0.0027855 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0027855 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0027855 k( 93) = ( 0.3909091 0.3909091 0.0000000), wk = 0.0027855 k( 94) = ( 0.3818182 0.3818182 0.0000000), wk = 0.0027855 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0027855 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0027855 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0027855 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0027855 k( 99) = ( 0.3363636 0.3363636 0.0000000), wk = 0.0027855 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0027855 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0027855 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0027855 k( 103) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0027855 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0027855 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0027855 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027855 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0027855 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0027855 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0027855 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0027855 k( 111) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0027855 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0027855 k( 113) = ( 0.2090909 0.2090909 0.0000000), wk = 0.0027855 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0027855 k( 115) = ( 0.1909091 0.1909091 0.0000000), wk = 0.0027855 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027855 k( 117) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0027855 k( 118) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0027855 k( 119) = ( 0.1545455 0.1545455 0.0000000), wk = 0.0027855 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0027855 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0027855 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0027855 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0027855 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0027855 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0027855 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027855 k( 127) = ( 0.0818182 0.0818182 0.0000000), wk = 0.0027855 k( 128) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0027855 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0027855 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0027855 k( 131) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0027855 k( 132) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0027855 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0027855 k( 134) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0027855 k( 135) = ( 0.0090909 0.0090909 0.0000000), wk = 0.0027855 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027855 k( 138) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027855 k( 139) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027855 k( 140) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027855 k( 141) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027855 k( 142) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027855 k( 143) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027855 k( 144) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027855 k( 145) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027855 k( 146) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027855 k( 147) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027855 k( 148) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027855 k( 149) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027855 k( 150) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027855 k( 151) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027855 k( 152) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027855 k( 153) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027855 k( 154) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027855 k( 155) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027855 k( 156) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027855 k( 157) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027855 k( 158) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027855 k( 159) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027855 k( 160) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027855 k( 161) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027855 k( 162) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027855 k( 163) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027855 k( 164) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027855 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 166) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 167) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0027855 k( 168) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0027855 k( 169) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0027855 k( 170) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0027855 k( 171) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0027855 k( 172) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0027855 k( 173) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0027855 k( 174) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0027855 k( 175) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0027855 k( 176) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0027855 k( 177) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0027855 k( 178) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0027855 k( 179) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0027855 k( 180) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0027855 k( 181) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0027855 k( 182) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0027855 k( 183) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0027855 k( 184) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0027855 k( 185) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0027855 k( 186) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0027855 k( 187) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0027855 k( 188) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0027855 k( 189) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0027855 k( 190) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0027855 k( 191) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0027855 k( 192) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0027855 k( 193) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0027855 k( 194) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0027855 k( 195) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0027855 k( 196) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0027855 k( 197) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0027855 k( 198) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0027855 k( 199) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0027855 k( 200) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0027855 k( 201) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0027855 k( 202) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0027855 k( 203) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0027855 k( 204) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0027855 k( 205) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 206) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 207) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0027855 k( 208) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0027855 k( 209) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0027855 k( 210) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0027855 k( 211) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0027855 k( 212) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0027855 k( 213) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0027855 k( 214) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0027855 k( 215) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0027855 k( 216) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0027855 k( 217) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0027855 k( 218) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0027855 k( 219) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0027855 k( 220) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0027855 k( 221) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0027855 k( 222) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0027855 k( 223) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0027855 k( 224) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0027855 k( 225) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0027855 k( 226) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0027855 k( 227) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0027855 k( 228) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0027855 k( 229) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0027855 k( 230) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0027855 k( 231) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0027855 k( 232) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0027855 k( 233) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0027855 k( 234) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0027855 k( 235) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0027855 k( 236) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0027855 k( 237) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0027855 k( 238) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0027855 k( 239) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0027855 k( 240) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0027855 k( 241) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0027855 k( 242) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0027855 k( 243) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0027855 k( 244) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0027855 k( 245) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 k( 247) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0027855 k( 248) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0027855 k( 249) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0027855 k( 250) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0027855 k( 251) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0027855 k( 252) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0027855 k( 253) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0027855 k( 254) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0027855 k( 255) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0027855 k( 256) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0027855 k( 257) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0027855 k( 258) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0027855 k( 259) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0027855 k( 260) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0027855 k( 261) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0027855 k( 262) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0027855 k( 263) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0027855 k( 264) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0027855 k( 265) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0027855 k( 266) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0027855 k( 267) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0027855 k( 268) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0027855 k( 269) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0027855 k( 270) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0027855 k( 271) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0027855 k( 272) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0027855 k( 273) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0027855 k( 274) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0027855 k( 275) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0027855 k( 276) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0027855 k( 277) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0027855 k( 278) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0027855 k( 279) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0027855 k( 280) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0027855 k( 281) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0027855 k( 282) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0027855 k( 283) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0027855 k( 284) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0027855 k( 285) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0027855 k( 286) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0027855 k( 287) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0027855 k( 288) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0027855 k( 289) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0027855 k( 290) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0027855 k( 291) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0027855 k( 292) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0027855 k( 293) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0027855 k( 294) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0027855 k( 295) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0027855 k( 296) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0027855 k( 297) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0027855 k( 298) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0027855 k( 299) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0027855 k( 300) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0027855 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027855 k( 302) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027855 k( 303) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0027855 k( 304) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027855 k( 305) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0027855 k( 306) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027855 k( 307) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0027855 k( 308) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027855 k( 309) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0027855 k( 310) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027855 k( 311) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0027855 k( 312) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027855 k( 313) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0027855 k( 314) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027855 k( 315) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0027855 k( 316) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027855 k( 317) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0027855 k( 318) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027855 k( 319) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0027855 k( 320) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027855 k( 321) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0027855 k( 322) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027855 k( 323) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0027855 k( 324) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027855 k( 325) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0027855 k( 326) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027855 k( 327) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0027855 k( 328) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027855 k( 329) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0027855 k( 330) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027855 k( 331) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027855 k( 332) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0027855 k( 333) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0027855 k( 334) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0027855 k( 335) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0027855 k( 336) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0027855 k( 337) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0027855 k( 338) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027855 k( 339) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0027855 k( 340) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0027855 k( 341) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0027855 k( 342) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0027855 k( 343) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0027855 k( 344) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0027855 k( 345) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027855 k( 346) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0027855 k( 347) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0027855 k( 348) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0027855 k( 349) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0027855 k( 350) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0027855 k( 351) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0027855 k( 352) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027855 k( 353) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0027855 k( 354) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0027855 k( 355) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0027855 k( 356) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0027855 k( 357) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0027855 k( 358) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0027855 k( 359) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027855 Dense grid: 62045 G-vectors FFT dimensions: ( 45, 45, 64) Smooth grid: 27523 G-vectors FFT dimensions: ( 36, 36, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 158, 40) NL pseudopotentials 0.14 Mb ( 79, 116) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1295) G-vector shells 0.00 Mb ( 424) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.39 Mb ( 158, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.14 Mb ( 116, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Sr2SO.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 46.7 secs Computing kpt #: 4 total cpu time spent up to now is 47.8 secs Computing kpt #: 5 total cpu time spent up to now is 49.2 secs Computing kpt #: 6 total cpu time spent up to now is 50.5 secs Computing kpt #: 7 total cpu time spent up to now is 51.7 secs Computing kpt #: 8 total cpu time spent up to now is 53.0 secs Computing kpt #: 9 total cpu time spent up to now is 54.2 secs Computing kpt #: 10 total cpu time spent up to now is 55.3 secs Computing kpt #: 11 total cpu time spent up to now is 56.5 secs Computing kpt #: 12 total cpu time spent up to now is 57.9 secs Computing kpt #: 13 total cpu time spent up to now is 59.1 secs Computing kpt #: 14 total cpu time spent up to now is 60.2 secs Computing kpt #: 15 total cpu time spent up to now is 61.3 secs Computing kpt #: 16 total cpu time spent up to now is 62.4 secs Computing kpt #: 17 total cpu time spent up to now is 63.5 secs Computing kpt #: 18 total cpu time spent up to now is 64.7 secs Computing kpt #: 19 total cpu time spent up to now is 67.3 secs Computing kpt #: 20 total cpu time spent up to now is 70.0 secs Computing kpt #: 21 total cpu time spent up to now is 71.8 secs Computing kpt #: 22 total cpu time spent up to now is 73.0 secs Computing kpt #: 23 total cpu time spent up to now is 74.1 secs Computing kpt #: 24 total cpu time spent up to now is 75.2 secs Computing kpt #: 25 total cpu time spent up to now is 76.3 secs Computing kpt #: 26 total cpu time spent up to now is 77.5 secs Computing kpt #: 27 total cpu time spent up to now is 78.6 secs Computing kpt #: 28 total cpu time spent up to now is 79.9 secs Computing kpt #: 29 total cpu time spent up to now is 81.2 secs Computing kpt #: 30 total cpu time spent up to now is 82.7 secs Computing kpt #: 31 total cpu time spent up to now is 83.9 secs Computing kpt #: 32 total cpu time spent up to now is 85.1 secs Computing kpt #: 33 total cpu time spent up to now is 86.4 secs Computing kpt #: 34 total cpu time spent up to now is 87.8 secs Computing kpt #: 35 total cpu time spent up to now is 91.0 secs Computing kpt #: 36 total cpu time spent up to now is 94.2 secs Computing kpt #: 37 total cpu time spent up to now is 95.2 secs Computing kpt #: 38 total cpu time spent up to now is 96.5 secs Computing kpt #: 39 total cpu time spent up to now is 97.7 secs Computing kpt #: 40 total cpu time spent up to now is 99.0 secs Computing kpt #: 41 total cpu time spent up to now is 100.2 secs Computing kpt #: 42 total cpu time spent up to now is 101.5 secs Computing kpt #: 43 total cpu time spent up to now is 102.6 secs Computing kpt #: 44 total cpu time spent up to now is 103.7 secs Computing kpt #: 45 total cpu time spent up to now is 104.7 secs Computing kpt #: 46 total cpu time spent up to now is 105.7 secs Computing kpt #: 47 total cpu time spent up to now is 106.7 secs Computing kpt #: 48 total cpu time spent up to now is 109.2 secs Computing kpt #: 49 total cpu time spent up to now is 110.7 secs Computing kpt #: 50 total cpu time spent up to now is 111.7 secs Computing kpt #: 51 total cpu time spent up to now is 112.6 secs Computing kpt #: 52 total cpu time spent up to now is 113.6 secs Computing kpt #: 53 total cpu time spent up to now is 114.7 secs Computing kpt #: 54 total cpu time spent up to now is 115.7 secs Computing kpt #: 55 total cpu time spent up to now is 116.8 secs Computing kpt #: 56 total cpu time spent up to now is 117.8 secs Computing kpt #: 57 total cpu time spent up to now is 118.9 secs Computing kpt #: 58 total cpu time spent up to now is 119.9 secs Computing kpt #: 59 total cpu time spent up to now is 121.0 secs Computing kpt #: 60 total cpu time spent up to now is 122.1 secs Computing kpt #: 61 total cpu time spent up to now is 123.1 secs Computing kpt #: 62 total cpu time spent up to now is 125.5 secs Computing kpt #: 63 total cpu time spent up to now is 128.3 secs Computing kpt #: 64 total cpu time spent up to now is 129.9 secs Computing kpt #: 65 total cpu time spent up to now is 131.1 secs Computing kpt #: 66 total cpu time spent up to now is 132.3 secs Computing kpt #: 67 total cpu time spent up to now is 133.4 secs Computing kpt #: 68 total cpu time spent up to now is 134.6 secs Computing kpt #: 69 total cpu time spent up to now is 135.7 secs Computing kpt #: 70 total cpu time spent up to now is 137.0 secs Computing kpt #: 71 total cpu time spent up to now is 138.1 secs Computing kpt #: 72 total cpu time spent up to now is 139.2 secs Computing kpt #: 73 total cpu time spent up to now is 140.2 secs Computing kpt #: 74 total cpu time spent up to now is 141.3 secs Computing kpt #: 75 total cpu time spent up to now is 142.3 secs Computing kpt #: 76 total cpu time spent up to now is 143.4 secs Computing kpt #: 77 total cpu time spent up to now is 144.5 secs Computing kpt #: 78 total cpu time spent up to now is 145.6 secs Computing kpt #: 79 total cpu time spent up to now is 146.7 secs Computing kpt #: 80 total cpu time spent up to now is 147.8 secs Computing kpt #: 81 total cpu time spent up to now is 149.1 secs Computing kpt #: 82 total cpu time spent up to now is 150.3 secs Computing kpt #: 83 total cpu time spent up to now is 151.5 secs Computing kpt #: 84 total cpu time spent up to now is 152.8 secs Computing kpt #: 85 total cpu time spent up to now is 153.9 secs Computing kpt #: 86 total cpu time spent up to now is 155.2 secs Computing kpt #: 87 total cpu time spent up to now is 156.8 secs Computing kpt #: 88 total cpu time spent up to now is 159.4 secs Computing kpt #: 89 total cpu time spent up to now is 162.1 secs Computing kpt #: 90 total cpu time spent up to now is 163.4 secs Computing kpt #: 91 total cpu time spent up to now is 164.5 secs Computing kpt #: 92 total cpu time spent up to now is 165.7 secs Computing kpt #: 93 total cpu time spent up to now is 166.8 secs Computing kpt #: 94 total cpu time spent up to now is 168.0 secs Computing kpt #: 95 total cpu time spent up to now is 169.2 secs Computing kpt #: 96 total cpu time spent up to now is 170.4 secs Computing kpt #: 97 total cpu time spent up to now is 171.6 secs Computing kpt #: 98 total cpu time spent up to now is 173.0 secs Computing kpt #: 99 total cpu time spent up to now is 174.6 secs Computing kpt #: 100 total cpu time spent up to now is 175.8 secs Computing kpt #: 101 total cpu time spent up to now is 176.9 secs Computing kpt #: 102 total cpu time spent up to now is 177.8 secs Computing kpt #: 103 total cpu time spent up to now is 179.0 secs Computing kpt #: 104 total cpu time spent up to now is 179.9 secs Computing kpt #: 105 total cpu time spent up to now is 181.2 secs Computing kpt #: 106 total cpu time spent up to now is 182.2 secs Computing kpt #: 107 total cpu time spent up to now is 183.1 secs Computing kpt #: 108 total cpu time spent up to now is 184.0 secs Computing kpt #: 109 total cpu time spent up to now is 185.0 secs Computing kpt #: 110 total cpu time spent up to now is 186.0 secs Computing kpt #: 111 total cpu time spent up to now is 187.0 secs Computing kpt #: 112 total cpu time spent up to now is 187.9 secs Computing kpt #: 113 total cpu time spent up to now is 188.9 secs Computing kpt #: 114 total cpu time spent up to now is 189.9 secs Computing kpt #: 115 total cpu time spent up to now is 190.9 secs Computing kpt #: 116 total cpu time spent up to now is 192.0 secs Computing kpt #: 117 total cpu time spent up to now is 193.3 secs Computing kpt #: 118 total cpu time spent up to now is 194.6 secs Computing kpt #: 119 total cpu time spent up to now is 195.9 secs Computing kpt #: 120 total cpu time spent up to now is 197.2 secs Computing kpt #: 121 total cpu time spent up to now is 198.3 secs Computing kpt #: 122 total cpu time spent up to now is 199.4 secs Computing kpt #: 123 total cpu time spent up to now is 200.6 secs Computing kpt #: 124 total cpu time spent up to now is 201.8 secs Computing kpt #: 125 total cpu time spent up to now is 202.9 secs Computing kpt #: 126 total cpu time spent up to now is 204.0 secs Computing kpt #: 127 total cpu time spent up to now is 205.3 secs Computing kpt #: 128 total cpu time spent up to now is 206.4 secs Computing kpt #: 129 total cpu time spent up to now is 207.6 secs Computing kpt #: 130 total cpu time spent up to now is 208.9 secs Computing kpt #: 131 total cpu time spent up to now is 210.0 secs Computing kpt #: 132 total cpu time spent up to now is 211.2 secs Computing kpt #: 133 total cpu time spent up to now is 212.2 secs Computing kpt #: 134 total cpu time spent up to now is 213.3 secs Computing kpt #: 135 total cpu time spent up to now is 214.3 secs Computing kpt #: 136 total cpu time spent up to now is 215.3 secs Computing kpt #: 137 total cpu time spent up to now is 216.4 secs Computing kpt #: 138 total cpu time spent up to now is 217.3 secs Computing kpt #: 139 total cpu time spent up to now is 218.4 secs Computing kpt #: 140 total cpu time spent up to now is 219.3 secs Computing kpt #: 141 total cpu time spent up to now is 220.3 secs Computing kpt #: 142 total cpu time spent up to now is 221.5 secs Computing kpt #: 143 total cpu time spent up to now is 223.0 secs Computing kpt #: 144 total cpu time spent up to now is 224.2 secs Computing kpt #: 145 total cpu time spent up to now is 225.6 secs Computing kpt #: 146 total cpu time spent up to now is 226.9 secs Computing kpt #: 147 total cpu time spent up to now is 228.2 secs Computing kpt #: 148 total cpu time spent up to now is 229.5 secs Computing kpt #: 149 total cpu time spent up to now is 230.8 secs Computing kpt #: 150 total cpu time spent up to now is 232.1 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 234.4 secs Computing kpt #: 152 total cpu time spent up to now is 236.6 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.9 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.2 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.6 secs Computing kpt #: 156 total cpu time spent up to now is 245.4 secs Computing kpt #: 157 total cpu time spent up to now is 246.8 secs Computing kpt #: 158 total cpu time spent up to now is 247.8 secs Computing kpt #: 159 total cpu time spent up to now is 248.7 secs Computing kpt #: 160 total cpu time spent up to now is 249.7 secs Computing kpt #: 161 total cpu time spent up to now is 250.6 secs Computing kpt #: 162 total cpu time spent up to now is 251.6 secs Computing kpt #: 163 total cpu time spent up to now is 252.6 secs Computing kpt #: 164 total cpu time spent up to now is 253.5 secs Computing kpt #: 165 total cpu time spent up to now is 254.4 secs Computing kpt #: 166 total cpu time spent up to now is 255.4 secs Computing kpt #: 167 total cpu time spent up to now is 256.3 secs Computing kpt #: 168 total cpu time spent up to now is 257.2 secs Computing kpt #: 169 total cpu time spent up to now is 258.2 secs Computing kpt #: 170 total cpu time spent up to now is 259.2 secs Computing kpt #: 171 total cpu time spent up to now is 260.1 secs Computing kpt #: 172 total cpu time spent up to now is 261.1 secs Computing kpt #: 173 total cpu time spent up to now is 262.0 secs Computing kpt #: 174 total cpu time spent up to now is 263.2 secs Computing kpt #: 175 total cpu time spent up to now is 264.3 secs Computing kpt #: 176 total cpu time spent up to now is 265.4 secs Computing kpt #: 177 total cpu time spent up to now is 266.4 secs Computing kpt #: 178 total cpu time spent up to now is 267.4 secs Computing kpt #: 179 total cpu time spent up to now is 268.5 secs Computing kpt #: 180 total cpu time spent up to now is 269.6 secs Computing kpt #: 181 total cpu time spent up to now is 270.7 secs Computing kpt #: 182 total cpu time spent up to now is 271.8 secs Computing kpt #: 183 total cpu time spent up to now is 273.1 secs Computing kpt #: 184 total cpu time spent up to now is 274.4 secs Computing kpt #: 185 total cpu time spent up to now is 275.8 secs Computing kpt #: 186 total cpu time spent up to now is 277.1 secs Computing kpt #: 187 total cpu time spent up to now is 278.3 secs Computing kpt #: 188 total cpu time spent up to now is 279.6 secs Computing kpt #: 189 total cpu time spent up to now is 281.1 secs Computing kpt #: 190 total cpu time spent up to now is 282.2 secs Computing kpt #: 191 total cpu time spent up to now is 283.3 secs Computing kpt #: 192 total cpu time spent up to now is 284.5 secs Computing kpt #: 193 total cpu time spent up to now is 285.6 secs Computing kpt #: 194 total cpu time spent up to now is 286.7 secs Computing kpt #: 195 total cpu time spent up to now is 287.8 secs Computing kpt #: 196 total cpu time spent up to now is 288.7 secs Computing kpt #: 197 total cpu time spent up to now is 289.7 secs Computing kpt #: 198 total cpu time spent up to now is 290.9 secs Computing kpt #: 199 total cpu time spent up to now is 292.1 secs Computing kpt #: 200 total cpu time spent up to now is 293.0 secs Computing kpt #: 201 total cpu time spent up to now is 294.1 secs Computing kpt #: 202 total cpu time spent up to now is 295.1 secs Computing kpt #: 203 total cpu time spent up to now is 296.1 secs Computing kpt #: 204 total cpu time spent up to now is 297.0 secs Computing kpt #: 205 total cpu time spent up to now is 298.0 secs Computing kpt #: 206 total cpu time spent up to now is 298.9 secs Computing kpt #: 207 total cpu time spent up to now is 299.9 secs Computing kpt #: 208 total cpu time spent up to now is 301.0 secs Computing kpt #: 209 total cpu time spent up to now is 302.0 secs Computing kpt #: 210 total cpu time spent up to now is 302.9 secs Computing kpt #: 211 total cpu time spent up to now is 303.9 secs Computing kpt #: 212 total cpu time spent up to now is 304.9 secs Computing kpt #: 213 total cpu time spent up to now is 306.0 secs Computing kpt #: 214 total cpu time spent up to now is 307.0 secs Computing kpt #: 215 total cpu time spent up to now is 308.0 secs Computing kpt #: 216 total cpu time spent up to now is 309.0 secs Computing kpt #: 217 total cpu time spent up to now is 310.0 secs Computing kpt #: 218 total cpu time spent up to now is 311.1 secs Computing kpt #: 219 total cpu time spent up to now is 312.2 secs Computing kpt #: 220 total cpu time spent up to now is 313.2 secs Computing kpt #: 221 total cpu time spent up to now is 314.1 secs Computing kpt #: 222 total cpu time spent up to now is 315.1 secs Computing kpt #: 223 total cpu time spent up to now is 316.0 secs Computing kpt #: 224 total cpu time spent up to now is 317.0 secs Computing kpt #: 225 total cpu time spent up to now is 318.1 secs Computing kpt #: 226 total cpu time spent up to now is 319.2 secs Computing kpt #: 227 total cpu time spent up to now is 320.1 secs Computing kpt #: 228 total cpu time spent up to now is 321.1 secs Computing kpt #: 229 total cpu time spent up to now is 322.0 secs Computing kpt #: 230 total cpu time spent up to now is 322.9 secs Computing kpt #: 231 total cpu time spent up to now is 324.2 secs Computing kpt #: 232 total cpu time spent up to now is 325.2 secs Computing kpt #: 233 total cpu time spent up to now is 326.5 secs Computing kpt #: 234 total cpu time spent up to now is 327.7 secs Computing kpt #: 235 total cpu time spent up to now is 329.4 secs Computing kpt #: 236 total cpu time spent up to now is 330.4 secs Computing kpt #: 237 total cpu time spent up to now is 331.3 secs Computing kpt #: 238 total cpu time spent up to now is 332.3 secs Computing kpt #: 239 total cpu time spent up to now is 333.2 secs Computing kpt #: 240 total cpu time spent up to now is 334.2 secs Computing kpt #: 241 total cpu time spent up to now is 335.3 secs Computing kpt #: 242 total cpu time spent up to now is 336.5 secs Computing kpt #: 243 total cpu time spent up to now is 338.0 secs Computing kpt #: 244 total cpu time spent up to now is 339.0 secs Computing kpt #: 245 total cpu time spent up to now is 340.1 secs Computing kpt #: 246 total cpu time spent up to now is 341.1 secs Computing kpt #: 247 total cpu time spent up to now is 342.1 secs Computing kpt #: 248 total cpu time spent up to now is 343.1 secs Computing kpt #: 249 total cpu time spent up to now is 344.0 secs Computing kpt #: 250 total cpu time spent up to now is 345.0 secs Computing kpt #: 251 total cpu time spent up to now is 345.9 secs Computing kpt #: 252 total cpu time spent up to now is 347.0 secs Computing kpt #: 253 total cpu time spent up to now is 348.1 secs Computing kpt #: 254 total cpu time spent up to now is 349.1 secs Computing kpt #: 255 total cpu time spent up to now is 350.1 secs Computing kpt #: 256 total cpu time spent up to now is 351.1 secs Computing kpt #: 257 total cpu time spent up to now is 352.1 secs Computing kpt #: 258 total cpu time spent up to now is 353.2 secs Computing kpt #: 259 total cpu time spent up to now is 354.4 secs Computing kpt #: 260 total cpu time spent up to now is 355.4 secs Computing kpt #: 261 total cpu time spent up to now is 356.4 secs Computing kpt #: 262 total cpu time spent up to now is 357.4 secs Computing kpt #: 263 total cpu time spent up to now is 358.4 secs Computing kpt #: 264 total cpu time spent up to now is 359.6 secs Computing kpt #: 265 total cpu time spent up to now is 360.7 secs Computing kpt #: 266 total cpu time spent up to now is 361.8 secs Computing kpt #: 267 total cpu time spent up to now is 362.8 secs Computing kpt #: 268 total cpu time spent up to now is 363.8 secs Computing kpt #: 269 total cpu time spent up to now is 364.9 secs Computing kpt #: 270 total cpu time spent up to now is 366.1 secs Computing kpt #: 271 total cpu time spent up to now is 367.1 secs Computing kpt #: 272 total cpu time spent up to now is 368.1 secs Computing kpt #: 273 total cpu time spent up to now is 369.2 secs Computing kpt #: 274 total cpu time spent up to now is 370.2 secs Computing kpt #: 275 total cpu time spent up to now is 371.3 secs Computing kpt #: 276 total cpu time spent up to now is 372.3 secs Computing kpt #: 277 total cpu time spent up to now is 373.4 secs Computing kpt #: 278 total cpu time spent up to now is 374.5 secs Computing kpt #: 279 total cpu time spent up to now is 375.5 secs Computing kpt #: 280 total cpu time spent up to now is 376.5 secs Computing kpt #: 281 total cpu time spent up to now is 377.6 secs Computing kpt #: 282 total cpu time spent up to now is 378.7 secs Computing kpt #: 283 total cpu time spent up to now is 379.7 secs Computing kpt #: 284 total cpu time spent up to now is 380.7 secs Computing kpt #: 285 total cpu time spent up to now is 381.7 secs Computing kpt #: 286 total cpu time spent up to now is 382.7 secs Computing kpt #: 287 total cpu time spent up to now is 383.8 secs Computing kpt #: 288 total cpu time spent up to now is 384.8 secs Computing kpt #: 289 total cpu time spent up to now is 385.9 secs Computing kpt #: 290 total cpu time spent up to now is 386.9 secs Computing kpt #: 291 total cpu time spent up to now is 387.8 secs Computing kpt #: 292 total cpu time spent up to now is 389.0 secs Computing kpt #: 293 total cpu time spent up to now is 390.1 secs Computing kpt #: 294 total cpu time spent up to now is 391.3 secs Computing kpt #: 295 total cpu time spent up to now is 392.4 secs Computing kpt #: 296 total cpu time spent up to now is 393.9 secs Computing kpt #: 297 total cpu time spent up to now is 394.9 secs Computing kpt #: 298 total cpu time spent up to now is 395.9 secs Computing kpt #: 299 total cpu time spent up to now is 396.9 secs Computing kpt #: 300 total cpu time spent up to now is 397.9 secs Computing kpt #: 301 total cpu time spent up to now is 398.9 secs Computing kpt #: 302 total cpu time spent up to now is 400.2 secs Computing kpt #: 303 total cpu time spent up to now is 401.5 secs Computing kpt #: 304 total cpu time spent up to now is 402.6 secs Computing kpt #: 305 total cpu time spent up to now is 403.7 secs Computing kpt #: 306 total cpu time spent up to now is 405.0 secs Computing kpt #: 307 total cpu time spent up to now is 406.1 secs Computing kpt #: 308 total cpu time spent up to now is 407.2 secs Computing kpt #: 309 total cpu time spent up to now is 408.2 secs Computing kpt #: 310 total cpu time spent up to now is 409.3 secs Computing kpt #: 311 total cpu time spent up to now is 410.3 secs Computing kpt #: 312 total cpu time spent up to now is 411.3 secs Computing kpt #: 313 total cpu time spent up to now is 412.2 secs Computing kpt #: 314 total cpu time spent up to now is 413.3 secs Computing kpt #: 315 total cpu time spent up to now is 414.4 secs Computing kpt #: 316 total cpu time spent up to now is 415.5 secs Computing kpt #: 317 total cpu time spent up to now is 416.5 secs Computing kpt #: 318 total cpu time spent up to now is 417.4 secs Computing kpt #: 319 total cpu time spent up to now is 418.3 secs Computing kpt #: 320 total cpu time spent up to now is 419.3 secs Computing kpt #: 321 total cpu time spent up to now is 420.4 secs Computing kpt #: 322 total cpu time spent up to now is 421.3 secs Computing kpt #: 323 total cpu time spent up to now is 422.2 secs Computing kpt #: 324 total cpu time spent up to now is 423.2 secs Computing kpt #: 325 total cpu time spent up to now is 424.1 secs Computing kpt #: 326 total cpu time spent up to now is 425.1 secs Computing kpt #: 327 total cpu time spent up to now is 426.1 secs Computing kpt #: 328 total cpu time spent up to now is 427.2 secs Computing kpt #: 329 total cpu time spent up to now is 428.1 secs Computing kpt #: 330 total cpu time spent up to now is 429.1 secs Computing kpt #: 331 total cpu time spent up to now is 430.1 secs Computing kpt #: 332 total cpu time spent up to now is 431.1 secs Computing kpt #: 333 total cpu time spent up to now is 432.2 secs Computing kpt #: 334 total cpu time spent up to now is 433.2 secs Computing kpt #: 335 total cpu time spent up to now is 434.2 secs Computing kpt #: 336 total cpu time spent up to now is 435.3 secs Computing kpt #: 337 total cpu time spent up to now is 436.4 secs Computing kpt #: 338 total cpu time spent up to now is 437.6 secs Computing kpt #: 339 total cpu time spent up to now is 438.9 secs Computing kpt #: 340 total cpu time spent up to now is 440.2 secs Computing kpt #: 341 total cpu time spent up to now is 441.7 secs Computing kpt #: 342 total cpu time spent up to now is 443.9 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.2 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 448.6 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 450.9 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 453.2 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 455.5 secs Computing kpt #: 348 total cpu time spent up to now is 457.4 secs Computing kpt #: 349 total cpu time spent up to now is 459.3 secs Computing kpt #: 350 total cpu time spent up to now is 461.1 secs Computing kpt #: 351 total cpu time spent up to now is 462.9 secs Computing kpt #: 352 total cpu time spent up to now is 464.5 secs Computing kpt #: 353 total cpu time spent up to now is 466.1 secs Computing kpt #: 354 total cpu time spent up to now is 467.3 secs Computing kpt #: 355 total cpu time spent up to now is 468.4 secs Computing kpt #: 356 total cpu time spent up to now is 469.3 secs Computing kpt #: 357 total cpu time spent up to now is 470.3 secs Computing kpt #: 358 total cpu time spent up to now is 471.2 secs Computing kpt #: 359 total cpu time spent up to now is 472.1 secs ethr = 3.13E-11, avg # of iterations = 37.8 total cpu time spent up to now is 472.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -26.9774 -26.9774 -26.8989 -26.8989 -9.8714 -9.8714 -9.6591 -9.6591 -8.8149 -8.8149 -8.6738 -8.6738 -8.4796 -8.4796 -8.4768 -8.4768 -8.1289 -8.1289 -4.9522 -4.9522 5.0528 5.0528 5.7277 5.7277 5.8307 5.8307 6.4365 6.4365 6.4857 6.4857 6.5101 6.5101 8.7040 8.7040 9.3953 9.3953 11.0965 11.0965 11.1152 11.1152 k = 0.0000 0.0128-0.0000 ( 3449 PWs) bands (ev): -26.9773 -26.9773 -26.8989 -26.8989 -9.8714 -9.8714 -9.6594 -9.6594 -8.8150 -8.8150 -8.6743 -8.6743 -8.4802 -8.4802 -8.4780 -8.4780 -8.1268 -8.1268 -4.9509 -4.9509 5.0529 5.0529 5.7241 5.7241 5.8270 5.8270 6.4357 6.4357 6.4839 6.4839 6.5080 6.5080 8.7088 8.7088 9.4001 9.4001 11.0963 11.0963 11.1152 11.1152 k = 0.0000 0.0256-0.0000 ( 3449 PWs) bands (ev): -26.9773 -26.9773 -26.8988 -26.8988 -9.8716 -9.8716 -9.6603 -9.6603 -8.8156 -8.8156 -8.6756 -8.6756 -8.4844 -8.4844 -8.4792 -8.4792 -8.1206 -8.1206 -4.9469 -4.9469 5.0531 5.0531 5.7132 5.7132 5.8162 5.8162 6.4330 6.4330 6.4783 6.4783 6.5021 6.5021 8.7232 8.7232 9.4145 9.4145 11.0948 11.0948 11.1161 11.1161 k = 0.0000 0.0385-0.0000 ( 3453 PWs) bands (ev): -26.9771 -26.9771 -26.8988 -26.8988 -9.8719 -9.8719 -9.6618 -9.6618 -8.8166 -8.8166 -8.6779 -8.6779 -8.4924 -8.4924 -8.4798 -8.4798 -8.1107 -8.1107 -4.9402 -4.9402 5.0533 5.0533 5.6942 5.6942 5.7993 5.7993 6.4279 6.4279 6.4684 6.4684 6.4937 6.4937 8.7468 8.7468 9.4382 9.4382 11.0901 11.0901 11.1197 11.1197 k = 0.0000 0.0513-0.0000 ( 3441 PWs) bands (ev): -26.9769 -26.9769 -26.8987 -26.8987 -9.8724 -9.8724 -9.6638 -9.6638 -8.8180 -8.8180 -8.6809 -8.6809 -8.5028 -8.5028 -8.4804 -8.4804 -8.0977 -8.0977 -4.9310 -4.9310 5.0537 5.0537 5.6664 5.6664 5.7779 5.7779 6.4188 6.4188 6.4552 6.4552 6.4839 6.4839 8.7794 8.7794 9.4707 9.4707 11.0820 11.0820 11.1267 11.1267 k = 0.0000 0.0641-0.0000 ( 3443 PWs) bands (ev): -26.9767 -26.9767 -26.8986 -26.8986 -9.8729 -9.8729 -9.6665 -9.6665 -8.8200 -8.8200 -8.6845 -8.6845 -8.5153 -8.5153 -8.4812 -8.4812 -8.0821 -8.0821 -4.9193 -4.9193 5.0542 5.0542 5.6293 5.6293 5.7532 5.7532 6.4026 6.4026 6.4419 6.4419 6.4733 6.4733 8.8202 8.8202 9.5115 9.5115 11.0711 11.0711 11.1365 11.1365 k = 0.0000 0.0769-0.0000 ( 3447 PWs) bands (ev): -26.9763 -26.9763 -26.8985 -26.8985 -9.8736 -9.8736 -9.6697 -9.6697 -8.8226 -8.8226 -8.6885 -8.6885 -8.5290 -8.5290 -8.4821 -8.4821 -8.0645 -8.0645 -4.9051 -4.9051 5.0548 5.0548 5.5830 5.5830 5.7260 5.7260 6.3779 6.3779 6.4308 6.4308 6.4616 6.4616 8.8688 8.8688 9.5601 9.5601 11.0577 11.0577 11.1489 11.1489 k = 0.0000 0.0897-0.0000 ( 3447 PWs) bands (ev): -26.9760 -26.9760 -26.8984 -26.8984 -9.8745 -9.8745 -9.6735 -9.6735 -8.8260 -8.8260 -8.6929 -8.6929 -8.5437 -8.5437 -8.4832 -8.4832 -8.0452 -8.0452 -4.8886 -4.8886 5.0555 5.0555 5.5284 5.5284 5.6969 5.6969 6.3466 6.3466 6.4208 6.4208 6.4489 6.4489 8.9246 8.9246 9.6157 9.6157 11.0424 11.0424 11.1638 11.1638 k = 0.0000 0.1026-0.0000 ( 3445 PWs) bands (ev): -26.9756 -26.9756 -26.8982 -26.8982 -9.8755 -9.8755 -9.6779 -9.6779 -8.8303 -8.8303 -8.6973 -8.6973 -8.5590 -8.5590 -8.4844 -8.4844 -8.0249 -8.0249 -4.8700 -4.8700 5.0563 5.0563 5.4664 5.4664 5.6657 5.6657 6.3106 6.3106 6.4104 6.4104 6.4355 6.4355 8.9870 8.9870 9.6775 9.6775 11.0256 11.0256 11.1811 11.1811 k = 0.0000 0.1154-0.0000 ( 3445 PWs) bands (ev): -26.9751 -26.9751 -26.8981 -26.8981 -9.8766 -9.8766 -9.6828 -9.6828 -8.8355 -8.8355 -8.7016 -8.7016 -8.5744 -8.5744 -8.4857 -8.4857 -8.0036 -8.0036 -4.8492 -4.8492 5.0572 5.0572 5.3983 5.3983 5.6325 5.6325 6.2712 6.2712 6.3987 6.3987 6.4218 6.4218 9.0556 9.0556 9.7449 9.7449 11.0077 11.0077 11.2008 11.2008 k = 0.0000 0.1282-0.0000 ( 3443 PWs) bands (ev): -26.9746 -26.9746 -26.8979 -26.8979 -9.8778 -9.8778 -9.6882 -9.6882 -8.8417 -8.8417 -8.7057 -8.7057 -8.5898 -8.5898 -8.4872 -8.4872 -7.9818 -7.9818 -4.8266 -4.8266 5.0583 5.0583 5.3252 5.3252 5.5974 5.5974 6.2292 6.2292 6.3850 6.3850 6.4082 6.4082 9.1298 9.1298 9.8171 9.8171 10.9889 10.9889 11.2227 11.2227 k = 0.0000 0.1410-0.0000 ( 3451 PWs) bands (ev): -26.9740 -26.9740 -26.8977 -26.8977 -9.8792 -9.8792 -9.6941 -9.6941 -8.8489 -8.8489 -8.7096 -8.7096 -8.6049 -8.6049 -8.4888 -8.4888 -7.9597 -7.9597 -4.8022 -4.8022 5.0595 5.0595 5.2482 5.2482 5.5605 5.5605 6.1851 6.1851 6.3692 6.3692 6.3951 6.3951 9.2094 9.2094 9.8936 9.8936 10.9696 10.9696 11.2469 11.2469 k = 0.0000 0.1538-0.0000 ( 3447 PWs) bands (ev): -26.9735 -26.9735 -26.8975 -26.8975 -9.8808 -9.8808 -9.7006 -9.7006 -8.8570 -8.8570 -8.7132 -8.7132 -8.6194 -8.6194 -8.4905 -8.4905 -7.9373 -7.9373 -4.7762 -4.7762 5.0607 5.0607 5.1681 5.1681 5.5221 5.5221 6.1397 6.1397 6.3516 6.3516 6.3822 6.3822 9.2939 9.2939 9.9737 9.9737 10.9502 10.9502 11.2734 11.2734 k = 0.0000 0.1667-0.0000 ( 3445 PWs) bands (ev): -26.9728 -26.9728 -26.8973 -26.8973 -9.8824 -9.8824 -9.7075 -9.7075 -8.8660 -8.8660 -8.7169 -8.7169 -8.6329 -8.6329 -8.4923 -8.4923 -7.9150 -7.9150 -4.7488 -4.7488 5.0618 5.0618 5.0861 5.0861 5.4824 5.4824 6.0932 6.0932 6.3326 6.3326 6.3692 6.3692 9.3830 9.3830 10.0570 10.0570 10.9309 10.9309 11.3021 11.3021 k = 0.0000 0.1795-0.0000 ( 3447 PWs) bands (ev): -26.9722 -26.9722 -26.8970 -26.8970 -9.8842 -9.8842 -9.7148 -9.7148 -8.8756 -8.8756 -8.7209 -8.7209 -8.6451 -8.6451 -8.4942 -8.4942 -7.8927 -7.8927 -4.7202 -4.7202 5.0015 5.0015 5.0641 5.0641 5.4417 5.4417 6.0461 6.0461 6.3127 6.3127 6.3559 6.3559 9.4765 9.4765 10.1428 10.1428 10.9121 10.9121 11.3331 11.3331 k = 0.0000 0.1923-0.0000 ( 3451 PWs) bands (ev): -26.9715 -26.9715 -26.8968 -26.8968 -9.8862 -9.8862 -9.7225 -9.7225 -8.8857 -8.8857 -8.7257 -8.7257 -8.6555 -8.6555 -8.4962 -8.4962 -7.8707 -7.8707 -4.6905 -4.6905 4.9168 4.9168 5.0657 5.0657 5.4002 5.4002 5.9987 5.9987 6.2920 6.2920 6.3422 6.3422 9.5741 9.5741 10.2308 10.2308 10.8941 10.8941 11.3662 11.3662 k = 0.0000 0.2051-0.0000 ( 3451 PWs) bands (ev): -26.9708 -26.9708 -26.8966 -26.8966 -9.8882 -9.8882 -9.7306 -9.7306 -8.8961 -8.8961 -8.7319 -8.7319 -8.6636 -8.6636 -8.4984 -8.4984 -7.8490 -7.8490 -4.6600 -4.6600 4.8317 4.8317 5.0675 5.0675 5.3582 5.3582 5.9513 5.9513 6.2710 6.2710 6.3281 6.3281 9.6755 9.6755 10.3207 10.3207 10.8770 10.8770 11.4014 11.4014 k = 0.0000 0.2179-0.0000 ( 3455 PWs) bands (ev): -26.9701 -26.9701 -26.8963 -26.8963 -9.8904 -9.8904 -9.7390 -9.7390 -8.9067 -8.9067 -8.7396 -8.7396 -8.6692 -8.6692 -8.5007 -8.5007 -7.8278 -7.8278 -4.6288 -4.6288 4.7469 4.7469 5.0695 5.0695 5.3160 5.3160 5.9043 5.9043 6.2496 6.2496 6.3135 6.3135 9.7806 9.7806 10.4120 10.4120 10.8610 10.8610 11.4388 11.4388 k = 0.0000 0.2308-0.0000 ( 3457 PWs) bands (ev): -26.9694 -26.9694 -26.8961 -26.8961 -9.8926 -9.8926 -9.7477 -9.7477 -8.9173 -8.9173 -8.7487 -8.7487 -8.6725 -8.6725 -8.5030 -8.5030 -7.8070 -7.8070 -4.5971 -4.5971 4.6628 4.6628 5.0716 5.0716 5.2740 5.2740 5.8579 5.8579 6.2282 6.2282 6.2986 6.2986 9.8889 9.8889 10.5047 10.5047 10.8464 10.8464 11.4782 11.4782 k = 0.0000 0.2436-0.0000 ( 3445 PWs) bands (ev): -26.9686 -26.9686 -26.8958 -26.8958 -9.8949 -9.8949 -9.7567 -9.7567 -8.9277 -8.9277 -8.7588 -8.7588 -8.6737 -8.6737 -8.5055 -8.5055 -7.7868 -7.7868 -4.5652 -4.5652 4.5800 4.5800 5.0738 5.0738 5.2323 5.2323 5.8124 5.8124 6.2068 6.2068 6.2834 6.2834 10.0003 10.0003 10.5983 10.5983 10.8333 10.8333 11.5197 11.5197 k = 0.0000 0.2564-0.0000 ( 3449 PWs) bands (ev): -26.9679 -26.9679 -26.8956 -26.8956 -9.8973 -9.8973 -9.7658 -9.7658 -8.9379 -8.9379 -8.7696 -8.7696 -8.6736 -8.6736 -8.5081 -8.5081 -7.7672 -7.7672 -4.5332 -4.5332 4.4987 4.4987 5.0760 5.0760 5.1912 5.1912 5.7679 5.7679 6.1856 6.1856 6.2679 6.2679 10.1144 10.1144 10.6928 10.6928 10.8218 10.8218 11.5631 11.5631 k = 0.0000 0.2692-0.0000 ( 3449 PWs) bands (ev): -26.9671 -26.9671 -26.8954 -26.8954 -9.8997 -9.8997 -9.7751 -9.7751 -8.9478 -8.9478 -8.7806 -8.7806 -8.6723 -8.6723 -8.5109 -8.5109 -7.7482 -7.7482 -4.5014 -4.5014 4.4193 4.4193 5.0783 5.0783 5.1511 5.1511 5.7246 5.7246 6.1648 6.1648 6.2523 6.2523 10.2308 10.2308 10.7875 10.7875 10.8123 10.8123 11.6085 11.6085 k = 0.0000 0.2821-0.0000 ( 3439 PWs) bands (ev): -26.9664 -26.9664 -26.8951 -26.8951 -9.9021 -9.9021 -9.7844 -9.7844 -8.9572 -8.9572 -8.7915 -8.7915 -8.6702 -8.6702 -8.5137 -8.5137 -7.7301 -7.7301 -4.4699 -4.4699 4.3423 4.3423 5.0802 5.0802 5.1125 5.1125 5.6828 5.6828 6.1443 6.1443 6.2367 6.2367 10.3491 10.3491 10.8032 10.8032 10.8841 10.8841 11.6558 11.6558 k = 0.0000 0.2949-0.0000 ( 3437 PWs) bands (ev): -26.9657 -26.9657 -26.8949 -26.8949 -9.9044 -9.9044 -9.7938 -9.7938 -8.9661 -8.9661 -8.8023 -8.8023 -8.6674 -8.6674 -8.5167 -8.5167 -7.7127 -7.7127 -4.4389 -4.4389 4.2680 4.2680 5.0705 5.0705 5.0868 5.0868 5.6425 5.6425 6.1244 6.1244 6.2211 6.2211 10.4686 10.4686 10.7968 10.7968 10.9804 10.9804 11.7049 11.7049 k = 0.0000 0.3077-0.0000 ( 3427 PWs) bands (ev): -26.9649 -26.9649 -26.8947 -26.8947 -9.9067 -9.9067 -9.8031 -9.8031 -8.9745 -8.9745 -8.8127 -8.8127 -8.6642 -8.6642 -8.5197 -8.5197 -7.6961 -7.6961 -4.4086 -4.4086 4.1966 4.1966 5.0359 5.0359 5.0875 5.0875 5.6040 5.6040 6.1052 6.1052 6.2056 6.2056 10.5889 10.5889 10.7919 10.7919 11.0771 11.0771 11.7557 11.7557 k = 0.0000 0.3205-0.0000 ( 3425 PWs) bands (ev): -26.9642 -26.9642 -26.8944 -26.8944 -9.9089 -9.9089 -9.8124 -9.8124 -8.9822 -8.9822 -8.8227 -8.8227 -8.6607 -8.6607 -8.5229 -8.5229 -7.6805 -7.6805 -4.3793 -4.3793 4.1284 4.1284 5.0013 5.0013 5.0899 5.0899 5.5674 5.5674 6.0867 6.0867 6.1904 6.1904 10.7090 10.7090 10.7888 10.7888 11.1744 11.1744 11.8081 11.8081 k = 0.0000 0.3333-0.0000 ( 3423 PWs) bands (ev): -26.9636 -26.9636 -26.8942 -26.8942 -9.9109 -9.9109 -9.8215 -9.8215 -8.9894 -8.9894 -8.8322 -8.8322 -8.6569 -8.6569 -8.5261 -8.5261 -7.6657 -7.6657 -4.3510 -4.3510 4.0638 4.0638 4.9682 4.9682 5.0926 5.0926 5.5328 5.5328 6.0691 6.0691 6.1756 6.1756 10.7864 10.7864 10.8290 10.8290 11.2720 11.2720 11.8620 11.8620 k = 0.0000 0.3462-0.0000 ( 3420 PWs) bands (ev): -26.9629 -26.9629 -26.8940 -26.8940 -9.9128 -9.9128 -9.8304 -9.8304 -8.9960 -8.9960 -8.8411 -8.8411 -8.6528 -8.6528 -8.5294 -8.5294 -7.6519 -7.6519 -4.3240 -4.3240 4.0029 4.0029 4.9369 4.9369 5.0952 5.0952 5.5004 5.5004 6.0524 6.0524 6.1613 6.1613 10.7863 10.7863 10.9463 10.9463 11.3700 11.3700 11.9173 11.9173 k = 0.0000 0.3590-0.0000 ( 3424 PWs) bands (ev): -26.9623 -26.9623 -26.8939 -26.8939 -9.9144 -9.9144 -9.8391 -9.8391 -9.0020 -9.0020 -8.8495 -8.8495 -8.6486 -8.6486 -8.5329 -8.5329 -7.6391 -7.6391 -4.2984 -4.2984 3.9459 3.9459 4.9077 4.9077 5.0979 5.0979 5.4701 5.4701 6.0367 6.0367 6.1476 6.1476 10.7872 10.7872 11.0610 11.0610 11.4681 11.4681 11.9737 11.9737 k = 0.0000 0.3718-0.0000 ( 3436 PWs) bands (ev): -26.9618 -26.9618 -26.8937 -26.8937 -9.9159 -9.9159 -9.8474 -9.8474 -9.0074 -9.0074 -8.8572 -8.8572 -8.6444 -8.6444 -8.5363 -8.5363 -7.6273 -7.6273 -4.2744 -4.2744 3.8932 3.8932 4.8806 4.8806 5.1005 5.1005 5.4422 5.4422 6.0222 6.0222 6.1346 6.1346 10.7892 10.7892 11.1718 11.1718 11.5659 11.5659 12.0311 12.0311 k = 0.0000 0.3846-0.0000 ( 3436 PWs) bands (ev): -26.9612 -26.9612 -26.8935 -26.8935 -9.9170 -9.9170 -9.8555 -9.8555 -9.0122 -9.0122 -8.8643 -8.8643 -8.6401 -8.6401 -8.5398 -8.5398 -7.6166 -7.6166 -4.2522 -4.2522 3.8448 3.8448 4.8558 4.8558 5.1031 5.1031 5.4167 5.4167 6.0088 6.0088 6.1224 6.1224 10.7920 10.7920 11.2777 11.2777 11.6626 11.6626 12.0892 12.0892 k = 0.0000 0.3974-0.0000 ( 3434 PWs) bands (ev): -26.9607 -26.9607 -26.8934 -26.8934 -9.9177 -9.9177 -9.8631 -9.8631 -9.0164 -9.0164 -8.8707 -8.8707 -8.6358 -8.6358 -8.5434 -8.5434 -7.6069 -7.6069 -4.2320 -4.2320 3.8011 3.8011 4.8333 4.8333 5.1055 5.1055 5.3936 5.3936 5.9966 5.9966 6.1112 6.1112 10.7955 10.7955 11.3776 11.3776 11.7568 11.7568 12.1475 12.1475 k = 0.0000 0.4103-0.0000 ( 3426 PWs) bands (ev): -26.9603 -26.9603 -26.8933 -26.8933 -9.9181 -9.9181 -9.8703 -9.8703 -9.0200 -9.0200 -8.8763 -8.8763 -8.6315 -8.6315 -8.5468 -8.5468 -7.5983 -7.5983 -4.2137 -4.2137 3.7621 3.7621 4.8133 4.8133 5.1077 5.1077 5.3732 5.3732 5.9858 5.9858 6.1010 6.1010 10.7994 10.7994 11.4707 11.4707 11.8468 11.8468 12.2055 12.2055 k = 0.0000 0.4231-0.0000 ( 3436 PWs) bands (ev): -26.9599 -26.9599 -26.8931 -26.8931 -9.9181 -9.9181 -9.8770 -9.8770 -9.0231 -9.0231 -8.8813 -8.8813 -8.6275 -8.6275 -8.5502 -8.5502 -7.5908 -7.5908 -4.1976 -4.1976 3.7279 3.7279 4.7958 4.7958 5.1097 5.1097 5.3553 5.3553 5.9762 5.9762 6.0920 6.0920 10.8034 10.8034 11.5562 11.5562 11.9302 11.9302 12.2625 12.2625 k = 0.0000 0.4359-0.0000 ( 3436 PWs) bands (ev): -26.9596 -26.9596 -26.8931 -26.8931 -9.9177 -9.9177 -9.8833 -9.8833 -9.0257 -9.0257 -8.8856 -8.8856 -8.6236 -8.6236 -8.5535 -8.5535 -7.5844 -7.5844 -4.1838 -4.1838 3.6988 3.6988 4.7809 4.7809 5.1115 5.1115 5.3401 5.3401 5.9681 5.9681 6.0842 6.0842 10.8074 10.8074 11.6331 11.6331 12.0042 12.0042 12.3174 12.3174 k = 0.0000 0.4487-0.0000 ( 3436 PWs) bands (ev): -26.9593 -26.9593 -26.8930 -26.8930 -9.9169 -9.9169 -9.8890 -9.8890 -9.0277 -9.0277 -8.8891 -8.8891 -8.6201 -8.6201 -8.5565 -8.5565 -7.5792 -7.5792 -4.1724 -4.1724 3.6749 3.6749 4.7687 4.7687 5.1130 5.1130 5.3276 5.3276 5.9614 5.9614 6.0777 6.0777 10.8111 10.8111 11.7002 11.7002 12.0662 12.0662 12.3578 12.3578 k = 0.0000 0.4615-0.0000 ( 3438 PWs) bands (ev): -26.9591 -26.9591 -26.8929 -26.8929 -9.9156 -9.9156 -9.8940 -9.8940 -9.0293 -9.0293 -8.8918 -8.8918 -8.6171 -8.6171 -8.5591 -8.5591 -7.5751 -7.5751 -4.1635 -4.1635 3.6561 3.6561 4.7591 4.7591 5.1142 5.1142 5.3178 5.3178 5.9562 5.9562 6.0726 6.0726 10.8142 10.8142 11.7558 11.7558 12.1143 12.1143 12.3373 12.3373 k = 0.0000 0.4744-0.0000 ( 3436 PWs) bands (ev): -26.9589 -26.9589 -26.8929 -26.8929 -9.9140 -9.9140 -9.8984 -9.8984 -9.0305 -9.0305 -8.8938 -8.8938 -8.6148 -8.6148 -8.5612 -8.5612 -7.5722 -7.5722 -4.1570 -4.1570 3.6427 3.6427 4.7522 4.7522 5.1150 5.1150 5.3108 5.3108 5.9524 5.9524 6.0689 6.0689 10.8166 10.8166 11.7981 11.7981 12.1478 12.1478 12.3224 12.3224 k = 0.0000 0.4872-0.0000 ( 3436 PWs) bands (ev): -26.9589 -26.9589 -26.8928 -26.8928 -9.9122 -9.9122 -9.9018 -9.9018 -9.0311 -9.0311 -8.8950 -8.8950 -8.6133 -8.6133 -8.5625 -8.5625 -7.5705 -7.5705 -4.1531 -4.1531 3.6346 3.6346 4.7481 4.7481 5.1156 5.1156 5.3066 5.3066 5.9501 5.9501 6.0666 6.0666 10.8180 10.8180 11.8247 11.8247 12.1670 12.1670 12.3135 12.3135 k = 0.0000 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9113 -9.9113 -9.9033 -9.9033 -9.0313 -9.0313 -8.8953 -8.8953 -8.6127 -8.6127 -8.5630 -8.5630 -7.5699 -7.5699 -4.1518 -4.1518 3.6319 3.6319 4.7467 4.7467 5.1157 5.1157 5.3052 5.3052 5.9494 5.9494 6.0659 6.0659 10.8185 10.8185 11.8339 11.8339 12.1732 12.1732 12.3105 12.3105 k = 0.0000 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9113 -9.9113 -9.9033 -9.9033 -9.0313 -9.0313 -8.8953 -8.8953 -8.6127 -8.6127 -8.5630 -8.5630 -7.5699 -7.5699 -4.1518 -4.1518 3.6319 3.6319 4.7467 4.7467 5.1157 5.1157 5.3052 5.3052 5.9494 5.9494 6.0659 6.0659 10.8185 10.8185 11.8339 11.8339 12.1732 12.1732 12.3105 12.3105 k = 0.0128 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9111 -9.9111 -9.9033 -9.9033 -9.0311 -9.0311 -8.8953 -8.8953 -8.6129 -8.6129 -8.5632 -8.5632 -7.5705 -7.5705 -4.1528 -4.1528 3.6339 3.6339 4.7468 4.7468 5.1163 5.1163 5.3070 5.3070 5.9497 5.9497 6.0663 6.0663 10.8129 10.8129 11.8360 11.8360 12.1726 12.1726 12.2347 12.2347 k = 0.0256 0.5000-0.0000 ( 3426 PWs) bands (ev): -26.9588 -26.9588 -26.8927 -26.8927 -9.9108 -9.9108 -9.9030 -9.9030 -9.0303 -9.0303 -8.8952 -8.8952 -8.6135 -8.6135 -8.5637 -8.5637 -7.5724 -7.5724 -4.1557 -4.1557 3.6397 3.6397 4.7472 4.7472 5.1181 5.1181 5.3122 5.3122 5.9507 5.9507 6.0674 6.0674 10.7962 10.7962 11.8424 11.8424 12.1041 12.1041 12.1781 12.1781 k = 0.0385 0.5000-0.0000 ( 3426 PWs) bands (ev): -26.9587 -26.9587 -26.8926 -26.8926 -9.9102 -9.9102 -9.9026 -9.9026 -9.0289 -9.0289 -8.8949 -8.8949 -8.6144 -8.6144 -8.5647 -8.5647 -7.5756 -7.5756 -4.1604 -4.1604 3.6495 3.6495 4.7478 4.7478 5.1209 5.1209 5.3207 5.3207 5.9522 5.9522 6.0693 6.0693 10.7690 10.7690 11.8531 11.8531 11.9717 11.9717 12.1794 12.1794 k = 0.0513 0.5000-0.0000 ( 3432 PWs) bands (ev): -26.9586 -26.9586 -26.8925 -26.8925 -9.9094 -9.9094 -9.9021 -9.9021 -9.0270 -9.0270 -8.8946 -8.8946 -8.6157 -8.6157 -8.5659 -8.5659 -7.5800 -7.5800 -4.1671 -4.1671 3.6632 3.6632 4.7487 4.7487 5.1250 5.1250 5.3326 5.3326 5.9544 5.9544 6.0719 6.0719 10.7321 10.7321 11.8371 11.8371 11.8682 11.8682 12.1824 12.1824 k = 0.0641 0.5000-0.0000 ( 3432 PWs) bands (ev): -26.9584 -26.9584 -26.8923 -26.8923 -9.9084 -9.9084 -9.9014 -9.9014 -9.0245 -9.0245 -8.8942 -8.8942 -8.6174 -8.6174 -8.5676 -8.5676 -7.5856 -7.5856 -4.1755 -4.1755 3.6806 3.6806 4.7500 4.7500 5.1302 5.1302 5.3476 5.3476 5.9572 5.9572 6.0753 6.0753 10.6868 10.6868 11.7028 11.7028 11.8874 11.8874 12.1864 12.1864 k = 0.0769 0.5000-0.0000 ( 3432 PWs) bands (ev): -26.9582 -26.9582 -26.8921 -26.8921 -9.9071 -9.9071 -9.9006 -9.9006 -9.0215 -9.0215 -8.8937 -8.8937 -8.6194 -8.6194 -8.5695 -8.5695 -7.5925 -7.5925 -4.1857 -4.1857 3.7017 3.7017 4.7517 4.7517 5.1365 5.1365 5.3655 5.3655 5.9607 5.9607 6.0794 6.0794 10.6341 10.6341 11.5692 11.5692 11.9108 11.9108 12.1912 12.1912 k = 0.0897 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9580 -26.9580 -26.8919 -26.8919 -9.9057 -9.9057 -9.8997 -9.8997 -9.0180 -9.0180 -8.8932 -8.8932 -8.6217 -8.6217 -8.5716 -8.5716 -7.6006 -7.6006 -4.1976 -4.1976 3.7264 3.7264 4.7539 4.7539 5.1440 5.1440 5.3861 5.3861 5.9647 5.9647 6.0842 6.0842 10.5753 10.5753 11.4368 11.4368 11.9384 11.9384 12.1967 12.1967 k = 0.1026 0.5000-0.0000 ( 3432 PWs) bands (ev): -26.9578 -26.9578 -26.8916 -26.8916 -9.9041 -9.9041 -9.8987 -9.8987 -9.0139 -9.0139 -8.8925 -8.8925 -8.6243 -8.6243 -8.5740 -8.5740 -7.6098 -7.6098 -4.2112 -4.2112 3.7545 3.7545 4.7566 4.7566 5.1525 5.1525 5.4093 5.4093 5.9693 5.9693 6.0897 6.0897 10.5114 10.5114 11.3058 11.3058 11.9701 11.9701 12.2026 12.2026 k = 0.1154 0.5000-0.0000 ( 3428 PWs) bands (ev): -26.9576 -26.9576 -26.8913 -26.8913 -9.9023 -9.9023 -9.8977 -9.8977 -9.0093 -9.0093 -8.8918 -8.8918 -8.6272 -8.6272 -8.5766 -8.5766 -7.6201 -7.6201 -4.2262 -4.2262 3.7860 3.7860 4.7600 4.7600 5.1622 5.1622 5.4349 5.4349 5.9745 5.9745 6.0959 6.0959 10.4436 10.4436 11.1766 11.1766 12.0059 12.0059 12.2089 12.2089 k = 0.1282 0.5000-0.0000 ( 3428 PWs) bands (ev): -26.9573 -26.9573 -26.8909 -26.8909 -9.9004 -9.9004 -9.8965 -9.8965 -9.0042 -9.0042 -8.8909 -8.8909 -8.6303 -8.6303 -8.5793 -8.5793 -7.6316 -7.6316 -4.2427 -4.2427 3.8207 3.8207 4.7640 4.7640 5.1729 5.1729 5.4625 5.4625 5.9803 5.9803 6.1027 6.1027 10.3727 10.3727 11.0494 11.0494 12.0457 12.0457 12.2154 12.2154 k = 0.1410 0.5000-0.0000 ( 3432 PWs) bands (ev): -26.9570 -26.9570 -26.8905 -26.8905 -9.8984 -9.8984 -9.8953 -9.8953 -8.9985 -8.9985 -8.8900 -8.8900 -8.6337 -8.6337 -8.5821 -8.5821 -7.6441 -7.6441 -4.2606 -4.2606 3.8583 3.8583 4.7686 4.7686 5.1846 5.1846 5.4921 5.4921 5.9866 5.9866 6.1102 6.1102 10.2995 10.2995 10.9242 10.9242 12.0894 12.0894 12.2219 12.2219 k = 0.1538 0.5000-0.0000 ( 3424 PWs) bands (ev): -26.9567 -26.9567 -26.8901 -26.8901 -9.8963 -9.8963 -9.8941 -9.8941 -8.9923 -8.9923 -8.8890 -8.8890 -8.6373 -8.6373 -8.5849 -8.5849 -7.6577 -7.6577 -4.2796 -4.2796 3.8988 3.8988 4.7740 4.7740 5.1973 5.1973 5.5233 5.5233 5.9934 5.9934 6.1183 6.1183 10.2249 10.2249 10.8013 10.8013 12.1368 12.1368 12.2282 12.2282 k = 0.1667 0.5000-0.0000 ( 3428 PWs) bands (ev): -26.9563 -26.9563 -26.8897 -26.8897 -9.8942 -9.8942 -9.8928 -9.8928 -8.9857 -8.9857 -8.8879 -8.8879 -8.6411 -8.6411 -8.5876 -8.5876 -7.6722 -7.6722 -4.2997 -4.2997 3.9418 3.9418 4.7799 4.7799 5.2110 5.2110 5.5559 5.5559 6.0008 6.0008 6.1270 6.1270 10.1493 10.1493 10.6808 10.6808 12.1878 12.1878 12.2343 12.2343 k = 0.1795 0.5000-0.0000 ( 3420 PWs) bands (ev): -26.9560 -26.9560 -26.8892 -26.8892 -9.8922 -9.8922 -9.8913 -9.8913 -8.9786 -8.9786 -8.8866 -8.8866 -8.6450 -8.6450 -8.5903 -8.5903 -7.6876 -7.6876 -4.3208 -4.3208 3.9871 3.9871 4.7865 4.7865 5.2255 5.2255 5.5897 5.5897 6.0086 6.0086 6.1362 6.1362 10.0733 10.0733 10.5628 10.5628 12.2365 12.2365 12.2455 12.2455 k = 0.1923 0.5000-0.0000 ( 3420 PWs) bands (ev): -26.9556 -26.9556 -26.8888 -26.8888 -9.8908 -9.8908 -9.8893 -9.8893 -8.9711 -8.9711 -8.8852 -8.8852 -8.6490 -8.6490 -8.5928 -8.5928 -7.7039 -7.7039 -4.3426 -4.3426 4.0346 4.0346 4.7937 4.7937 5.2408 5.2408 5.6245 5.6245 6.0169 6.0169 6.1460 6.1460 9.9974 9.9974 10.4476 10.4476 12.2433 12.2433 12.3010 12.3010 k = 0.2051 0.5000-0.0000 ( 3414 PWs) bands (ev): -26.9552 -26.9552 -26.8883 -26.8883 -9.8896 -9.8896 -9.8870 -9.8870 -8.9633 -8.9633 -8.8835 -8.8835 -8.6532 -8.6532 -8.5952 -8.5952 -7.7210 -7.7210 -4.3652 -4.3652 4.0839 4.0839 4.8014 4.8014 5.2569 5.2569 5.6601 5.6601 6.0257 6.0257 6.1562 6.1562 9.9221 9.9221 10.3353 10.3353 12.2467 12.2467 12.3617 12.3617 k = 0.2179 0.5000-0.0000 ( 3414 PWs) bands (ev): -26.9548 -26.9548 -26.8878 -26.8878 -9.8885 -9.8885 -9.8847 -9.8847 -8.9554 -8.9554 -8.8815 -8.8815 -8.6574 -8.6574 -8.5973 -8.5973 -7.7388 -7.7388 -4.3883 -4.3883 4.1347 4.1347 4.8096 4.8096 5.2737 5.2737 5.6962 5.6962 6.0349 6.0349 6.1668 6.1668 9.8476 9.8476 10.2259 10.2259 12.2486 12.2486 12.4249 12.4249 k = 0.2308 0.5000-0.0000 ( 3412 PWs) bands (ev): -26.9544 -26.9544 -26.8873 -26.8873 -9.8875 -9.8875 -9.8825 -9.8825 -8.9473 -8.9473 -8.8791 -8.8791 -8.6617 -8.6617 -8.5992 -8.5992 -7.7574 -7.7574 -4.4118 -4.4118 4.1867 4.1867 4.8183 4.8183 5.2911 5.2911 5.7326 5.7326 6.0445 6.0445 6.1778 6.1778 9.7744 9.7744 10.1197 10.1197 12.2490 12.2490 12.4900 12.4900 k = 0.2436 0.5000-0.0000 ( 3412 PWs) bands (ev): -26.9540 -26.9540 -26.8868 -26.8868 -9.8866 -9.8866 -9.8802 -9.8802 -8.9395 -8.9395 -8.8760 -8.8760 -8.6660 -8.6660 -8.6007 -8.6007 -7.7765 -7.7765 -4.4355 -4.4355 4.2396 4.2396 4.8273 4.8273 5.3090 5.3090 5.7692 5.7692 6.0544 6.0544 6.1891 6.1891 9.7027 9.7027 10.0167 10.0167 12.2475 12.2475 12.5558 12.5558 k = 0.2564 0.5000-0.0000 ( 3412 PWs) bands (ev): -26.9536 -26.9536 -26.8863 -26.8863 -9.8859 -9.8859 -9.8781 -9.8781 -8.9320 -8.9320 -8.8721 -8.8721 -8.6702 -8.6702 -8.6020 -8.6020 -7.7961 -7.7961 -4.4593 -4.4593 4.2932 4.2932 4.8366 4.8366 5.3274 5.3274 5.8056 5.8056 6.0647 6.0647 6.2007 6.2007 9.6327 9.6327 9.9172 9.9172 12.2441 12.2441 12.6209 12.6209 k = 0.2692 0.5000-0.0000 ( 3402 PWs) bands (ev): -26.9532 -26.9532 -26.8858 -26.8858 -9.8852 -9.8852 -9.8760 -9.8760 -8.9253 -8.9253 -8.8670 -8.8670 -8.6744 -8.6744 -8.6029 -8.6029 -7.8161 -7.8161 -4.4831 -4.4831 4.3469 4.3469 4.8462 4.8462 5.3461 5.3461 5.8416 5.8416 6.0753 6.0753 6.2125 6.2125 9.5648 9.5648 9.8213 9.8213 12.2386 12.2386 12.6828 12.6828 k = 0.2821 0.5000-0.0000 ( 3410 PWs) bands (ev): -26.9528 -26.9528 -26.8853 -26.8853 -9.8846 -9.8846 -9.8740 -9.8740 -8.9196 -8.9196 -8.8607 -8.8607 -8.6786 -8.6786 -8.6035 -8.6035 -7.8365 -7.8365 -4.5066 -4.5066 4.4006 4.4006 4.8558 4.8558 5.3650 5.3650 5.8771 5.8771 6.0862 6.0862 6.2245 6.2245 9.4991 9.4991 9.7291 9.7291 12.2308 12.2308 12.7382 12.7382 k = 0.2949 0.5000-0.0000 ( 3402 PWs) bands (ev): -26.9524 -26.9524 -26.8848 -26.8848 -9.8842 -9.8842 -9.8720 -9.8720 -8.9149 -8.9149 -8.8529 -8.8529 -8.6826 -8.6826 -8.6037 -8.6037 -7.8572 -7.8572 -4.5297 -4.5297 4.4537 4.4537 4.8655 4.8655 5.3841 5.3841 5.9119 5.9119 6.0972 6.0972 6.2365 6.2365 9.4359 9.4359 9.6409 9.6409 12.2208 12.2208 12.7838 12.7838 k = 0.3077 0.5000-0.0000 ( 3414 PWs) bands (ev): -26.9520 -26.9520 -26.8843 -26.8843 -9.8839 -9.8839 -9.8703 -9.8703 -8.9113 -8.9113 -8.8439 -8.8439 -8.6865 -8.6865 -8.6036 -8.6036 -7.8779 -7.8779 -4.5524 -4.5524 4.5060 4.5060 4.8752 4.8752 5.4031 5.4031 5.9457 5.9457 6.1084 6.1084 6.2484 6.2484 9.3754 9.3754 9.5566 9.5566 12.2086 12.2086 12.8175 12.8175 k = 0.3205 0.5000-0.0000 ( 3426 PWs) bands (ev): -26.9517 -26.9517 -26.8839 -26.8839 -9.8836 -9.8836 -9.8686 -9.8686 -8.9085 -8.9085 -8.8339 -8.8339 -8.6903 -8.6903 -8.6031 -8.6031 -7.8987 -7.8987 -4.5743 -4.5743 4.5570 4.5570 4.8848 4.8848 5.4219 5.4219 5.9783 5.9783 6.1197 6.1197 6.2603 6.2603 9.3177 9.3177 9.4766 9.4766 12.1943 12.1943 12.8400 12.8400 k = 0.3333 0.5000-0.0000 ( 3424 PWs) bands (ev): -26.9513 -26.9513 -26.8834 -26.8834 -9.8835 -9.8835 -9.8670 -9.8670 -8.9065 -8.9065 -8.8230 -8.8230 -8.6938 -8.6938 -8.6023 -8.6023 -7.9193 -7.9193 -4.5955 -4.5955 4.6063 4.6063 4.8941 4.8941 5.4404 5.4404 6.0096 6.0096 6.1311 6.1311 6.2719 6.2719 9.2630 9.2630 9.4010 9.4010 12.1781 12.1781 12.8535 12.8535 k = 0.3462 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9510 -26.9510 -26.8830 -26.8830 -9.8835 -9.8835 -9.8656 -9.8656 -8.9050 -8.9050 -8.8117 -8.8117 -8.6972 -8.6972 -8.6013 -8.6013 -7.9397 -7.9397 -4.6157 -4.6157 4.6537 4.6537 4.9033 4.9033 5.4585 5.4585 6.0393 6.0393 6.1423 6.1423 6.2833 6.2833 9.2116 9.2116 9.3300 9.3300 12.1602 12.1602 12.8609 12.8609 k = 0.3590 0.5000-0.0000 ( 3432 PWs) bands (ev): -26.9507 -26.9507 -26.8826 -26.8826 -9.8835 -9.8835 -9.8643 -9.8643 -8.9039 -8.9039 -8.8002 -8.8002 -8.7004 -8.7004 -8.5999 -8.5999 -7.9597 -7.9597 -4.6348 -4.6348 4.6986 4.6986 4.9121 4.9121 5.4760 5.4760 6.0673 6.0673 6.1534 6.1534 6.2943 6.2943 9.1636 9.1636 9.2637 9.2637 12.1411 12.1411 12.8640 12.8640 k = 0.3718 0.5000-0.0000 ( 3434 PWs) bands (ev): -26.9504 -26.9504 -26.8822 -26.8822 -9.8836 -9.8836 -9.8631 -9.8631 -8.9031 -8.9031 -8.7887 -8.7887 -8.7033 -8.7033 -8.5983 -8.5983 -7.9790 -7.9790 -4.6528 -4.6528 4.7407 4.7407 4.9205 4.9205 5.4927 5.4927 6.0934 6.0934 6.1643 6.1643 6.3048 6.3048 9.1191 9.1191 9.2024 9.2024 12.1212 12.1212 12.8644 12.8644 k = 0.3846 0.5000-0.0000 ( 3434 PWs) bands (ev): -26.9501 -26.9501 -26.8819 -26.8819 -9.8837 -9.8837 -9.8620 -9.8620 -8.9025 -8.9025 -8.7774 -8.7774 -8.7060 -8.7060 -8.5965 -8.5965 -7.9976 -7.9976 -4.6694 -4.6694 4.7797 4.7797 4.9286 4.9286 5.5085 5.5085 6.1175 6.1175 6.1747 6.1747 6.3147 6.3147 9.0783 9.0783 9.1462 9.1462 12.1009 12.1009 12.8630 12.8630 k = 0.3974 0.5000-0.0000 ( 3430 PWs) bands (ev): -26.9498 -26.9498 -26.8815 -26.8815 -9.8839 -9.8839 -9.8611 -9.8611 -8.9020 -8.9020 -8.7665 -8.7665 -8.7084 -8.7084 -8.5945 -8.5945 -8.0152 -8.0152 -4.6845 -4.6845 4.8151 4.8151 4.9363 4.9363 5.5232 5.5232 6.1393 6.1393 6.1847 6.1847 6.3240 6.3240 9.0413 9.0413 9.0953 9.0953 12.0808 12.0808 12.8605 12.8605 k = 0.4103 0.5000-0.0000 ( 3442 PWs) bands (ev): -26.9496 -26.9496 -26.8813 -26.8813 -9.8841 -9.8841 -9.8603 -9.8603 -8.9017 -8.9017 -8.7563 -8.7563 -8.7105 -8.7105 -8.5925 -8.5925 -8.0316 -8.0316 -4.6982 -4.6982 4.8467 4.8467 4.9436 4.9436 5.5366 5.5366 6.1588 6.1588 6.1941 6.1941 6.3324 6.3324 9.0083 9.0083 9.0499 9.0499 12.0613 12.0613 12.8574 12.8574 k = 0.4231 0.5000-0.0000 ( 3438 PWs) bands (ev): -26.9494 -26.9494 -26.8810 -26.8810 -9.8843 -9.8843 -9.8596 -9.8596 -8.9015 -8.9015 -8.7470 -8.7470 -8.7124 -8.7124 -8.5903 -8.5903 -8.0466 -8.0466 -4.7102 -4.7102 4.8738 4.8738 4.9507 4.9507 5.5486 5.5486 6.1757 6.1757 6.2028 6.2028 6.3400 6.3400 8.9794 8.9794 9.0102 9.0102 12.0432 12.0432 12.8541 12.8541 k = 0.4359 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9492 -26.9492 -26.8808 -26.8808 -9.8845 -9.8845 -9.8590 -9.8590 -8.9013 -8.9013 -8.7388 -8.7388 -8.7139 -8.7139 -8.5883 -8.5883 -8.0598 -8.0598 -4.7205 -4.7205 4.8963 4.8963 4.9578 4.9578 5.5591 5.5591 6.1900 6.1900 6.2107 6.2107 6.3465 6.3465 8.9548 8.9548 8.9763 8.9763 12.0268 12.0268 12.8508 12.8508 k = 0.4487 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9491 -26.9491 -26.8806 -26.8806 -9.8847 -9.8847 -9.8586 -9.8586 -8.9012 -8.9012 -8.7319 -8.7319 -8.7152 -8.7152 -8.5863 -8.5863 -8.0711 -8.0711 -4.7290 -4.7290 4.9136 4.9136 4.9648 4.9648 5.5678 5.5678 6.2014 6.2014 6.2178 6.2178 6.3520 6.3520 8.9345 8.9345 8.9483 8.9483 12.0127 12.0127 12.8479 12.8479 k = 0.4615 0.5000-0.0000 ( 3440 PWs) bands (ev): -26.9490 -26.9490 -26.8805 -26.8805 -9.8849 -9.8849 -9.8582 -9.8582 -8.9012 -8.9012 -8.7265 -8.7265 -8.7160 -8.7160 -8.5846 -8.5846 -8.0802 -8.0802 -4.7357 -4.7357 4.9260 4.9260 4.9717 4.9717 5.5747 5.5747 6.2100 6.2100 6.2238 6.2238 6.3564 6.3564 8.9186 8.9186 8.9264 8.9264 12.0013 12.0013 12.8454 12.8454 k = 0.4744 0.5000-0.0000 ( 3448 PWs) bands (ev): -26.9489 -26.9489 -26.8804 -26.8804 -9.8850 -9.8850 -9.8580 -9.8580 -8.9011 -8.9011 -8.7228 -8.7228 -8.7164 -8.7164 -8.5833 -8.5833 -8.0868 -8.0868 -4.7406 -4.7406 4.9338 4.9338 4.9776 4.9776 5.5797 5.5797 6.2158 6.2158 6.2286 6.2286 6.3596 6.3596 8.9072 8.9072 8.9107 8.9107 11.9928 11.9928 12.8436 12.8436 k = 0.4872 0.5000-0.0000 ( 3448 PWs) bands (ev): -26.9489 -26.9489 -26.8803 -26.8803 -9.8851 -9.8851 -9.8578 -9.8578 -8.9011 -8.9011 -8.7209 -8.7209 -8.7162 -8.7162 -8.5825 -8.5825 -8.0909 -8.0909 -4.7435 -4.7435 4.9381 4.9381 4.9816 4.9816 5.5828 5.5828 6.2191 6.2191 6.2317 6.2317 6.3615 6.3615 8.9003 8.9003 8.9012 8.9012 11.9877 11.9877 12.8424 12.8424 k = 0.5000 0.5000-0.0000 ( 3448 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8851 -9.8851 -9.8578 -9.8578 -8.9011 -8.9011 -8.7205 -8.7205 -8.7160 -8.7160 -8.5822 -8.5822 -8.0923 -8.0923 -4.7444 -4.7444 4.9395 4.9395 4.9831 4.9831 5.5838 5.5838 6.2201 6.2201 6.2327 6.2327 6.3621 6.3621 8.8980 8.8980 8.8982 8.8982 11.9859 11.9859 12.8421 12.8421 k = 0.5000 0.5000-0.0000 ( 3448 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8851 -9.8851 -9.8578 -9.8578 -8.9011 -8.9011 -8.7205 -8.7205 -8.7160 -8.7160 -8.5822 -8.5822 -8.0923 -8.0923 -4.7444 -4.7444 4.9395 4.9395 4.9831 4.9831 5.5838 5.5838 6.2201 6.2201 6.2327 6.2327 6.3621 6.3621 8.8980 8.8980 8.8982 8.8982 11.9859 11.9859 12.8421 12.8421 k = 0.4909 0.4909-0.0000 ( 3448 PWs) bands (ev): -26.9489 -26.9489 -26.8803 -26.8803 -9.8851 -9.8851 -9.8578 -9.8578 -8.9011 -8.9011 -8.7209 -8.7209 -8.7162 -8.7162 -8.5825 -8.5825 -8.0909 -8.0909 -4.7435 -4.7435 4.9381 4.9381 4.9817 4.9817 5.5828 5.5828 6.2190 6.2190 6.2317 6.2317 6.3615 6.3615 8.8993 8.8993 8.9023 8.9023 11.9877 11.9877 12.8424 12.8424 k = 0.4818 0.4818-0.0000 ( 3448 PWs) bands (ev): -26.9489 -26.9489 -26.8804 -26.8804 -9.8850 -9.8850 -9.8580 -9.8580 -8.9011 -8.9011 -8.7224 -8.7224 -8.7168 -8.7168 -8.5833 -8.5833 -8.0868 -8.0868 -4.7405 -4.7405 4.9333 4.9333 4.9781 4.9781 5.5797 5.5797 6.2146 6.2146 6.2297 6.2297 6.3596 6.3596 8.9029 8.9029 8.9151 8.9151 11.9927 11.9927 12.8435 12.8435 k = 0.4727 0.4727-0.0000 ( 3444 PWs) bands (ev): -26.9490 -26.9490 -26.8805 -26.8805 -9.8849 -9.8849 -9.8582 -9.8582 -8.9012 -8.9012 -8.7253 -8.7253 -8.7173 -8.7173 -8.5846 -8.5846 -8.0801 -8.0801 -4.7357 -4.7357 4.9236 4.9236 4.9742 4.9742 5.5746 5.5746 6.2056 6.2056 6.2283 6.2283 6.3565 6.3565 8.9089 8.9089 8.9363 8.9363 12.0005 12.0005 12.8448 12.8448 k = 0.4636 0.4636-0.0000 ( 3432 PWs) bands (ev): -26.9491 -26.9491 -26.8806 -26.8806 -9.8847 -9.8847 -9.8585 -9.8585 -8.9012 -8.9012 -8.7295 -8.7295 -8.7178 -8.7178 -8.5861 -8.5861 -8.0711 -8.0711 -4.7291 -4.7291 4.9076 4.9076 4.9714 4.9714 5.5676 5.5676 6.1920 6.1920 6.2275 6.2275 6.3524 6.3524 8.9173 8.9173 8.9657 8.9657 12.0102 12.0102 12.8461 12.8461 k = 0.4545 0.4545-0.0000 ( 3428 PWs) bands (ev): -26.9492 -26.9492 -26.8808 -26.8808 -9.8845 -9.8845 -9.8589 -9.8589 -8.9012 -8.9012 -8.7349 -8.7349 -8.7183 -8.7183 -8.5878 -8.5878 -8.0599 -8.0599 -4.7207 -4.7207 4.8852 4.8852 4.9701 4.9701 5.5588 5.5588 6.1744 6.1744 6.2271 6.2271 6.3474 6.3474 8.9281 8.9281 9.0031 9.0031 12.0206 12.0206 12.8465 12.8465 k = 0.4455 0.4455-0.0000 ( 3432 PWs) bands (ev): -26.9494 -26.9494 -26.8810 -26.8810 -9.8842 -9.8842 -9.8593 -9.8593 -8.9012 -8.9012 -8.7415 -8.7415 -8.7188 -8.7188 -8.5895 -8.5895 -8.0469 -8.0469 -4.7107 -4.7107 4.8572 4.8572 4.9702 4.9702 5.5481 5.5481 6.1535 6.1535 6.2269 6.2269 6.3417 6.3417 8.9413 8.9413 9.0482 9.0482 12.0304 12.0304 12.8454 12.8454 k = 0.4364 0.4364-0.0000 ( 3420 PWs) bands (ev): -26.9496 -26.9496 -26.8813 -26.8813 -9.8840 -9.8840 -9.8598 -9.8598 -8.9011 -8.9011 -8.7490 -8.7490 -8.7194 -8.7194 -8.5910 -8.5910 -8.0324 -8.0324 -4.6992 -4.6992 4.8245 4.8245 4.9712 4.9712 5.5358 5.5358 6.1297 6.1297 6.2268 6.2268 6.3356 6.3356 8.9568 8.9568 9.1006 9.1006 12.0382 12.0382 12.8424 12.8424 k = 0.4273 0.4273-0.0000 ( 3420 PWs) bands (ev): -26.9499 -26.9499 -26.8815 -26.8815 -9.8837 -9.8837 -9.8602 -9.8602 -8.9009 -8.9009 -8.7572 -8.7572 -8.7200 -8.7200 -8.5923 -8.5923 -8.0166 -8.0166 -4.6864 -4.6864 4.7877 4.7877 4.9729 4.9729 5.5220 5.5220 6.1034 6.1034 6.2269 6.2269 6.3291 6.3291 8.9747 8.9747 9.1600 9.1600 12.0425 12.0425 12.8369 12.8369 k = 0.4182 0.4182-0.0000 ( 3420 PWs) bands (ev): -26.9502 -26.9502 -26.8819 -26.8819 -9.8835 -9.8835 -9.8605 -9.8605 -8.9007 -8.9007 -8.7660 -8.7660 -8.7207 -8.7207 -8.5933 -8.5933 -7.9999 -7.9999 -4.6724 -4.6724 4.7478 4.7478 4.9753 4.9753 5.5069 5.5069 6.0752 6.0752 6.2270 6.2270 6.3225 6.3225 8.9950 8.9950 9.2261 9.2261 12.0418 12.0418 12.8288 12.8288 k = 0.4091 0.4091-0.0000 ( 3420 PWs) bands (ev): -26.9505 -26.9505 -26.8822 -26.8822 -9.8833 -9.8833 -9.8608 -9.8608 -8.9003 -8.9003 -8.7752 -8.7752 -8.7215 -8.7215 -8.5939 -8.5939 -7.9824 -7.9824 -4.6574 -4.6574 4.7053 4.7053 4.9783 4.9783 5.4905 5.4905 6.0456 6.0456 6.2272 6.2272 6.3159 6.3159 9.0176 9.0176 9.2984 9.2984 12.0349 12.0349 12.8183 12.8183 k = 0.4000 0.4000-0.0000 ( 3420 PWs) bands (ev): -26.9508 -26.9508 -26.8826 -26.8826 -9.8832 -9.8832 -9.8608 -9.8608 -8.8998 -8.8998 -8.7846 -8.7846 -8.7224 -8.7224 -8.5941 -8.5941 -7.9646 -7.9646 -4.6418 -4.6418 4.6611 4.6611 4.9819 4.9819 5.4731 5.4731 6.0150 6.0150 6.2276 6.2276 6.3096 6.3096 9.0425 9.0425 9.3766 9.3766 12.0209 12.0209 12.8058 12.8058 k = 0.3909 0.3909-0.0000 ( 3428 PWs) bands (ev): -26.9512 -26.9512 -26.8830 -26.8830 -9.8832 -9.8832 -9.8605 -9.8605 -8.8992 -8.8992 -8.7941 -8.7941 -8.7233 -8.7233 -8.5939 -8.5939 -7.9466 -7.9466 -4.6256 -4.6256 4.6158 4.6158 4.9861 4.9861 5.4549 5.4549 5.9839 5.9839 6.2281 6.2281 6.3035 6.3035 9.0697 9.0697 9.4604 9.4604 11.9992 11.9992 12.7916 12.7916 k = 0.3818 0.3818-0.0000 ( 3424 PWs) bands (ev): -26.9516 -26.9516 -26.8835 -26.8835 -9.8834 -9.8834 -9.8600 -9.8600 -8.8983 -8.8983 -8.8034 -8.8034 -8.7243 -8.7243 -8.5933 -8.5933 -7.9286 -7.9286 -4.6091 -4.6091 4.5702 4.5702 4.9908 4.9908 5.4360 5.4360 5.9528 5.9528 6.2287 6.2287 6.2979 6.2979 9.0992 9.0992 9.5493 9.5493 11.9697 11.9697 12.7763 12.7763 k = 0.3727 0.3727-0.0000 ( 3416 PWs) bands (ev): -26.9521 -26.9521 -26.8839 -26.8839 -9.8837 -9.8837 -9.8590 -9.8590 -8.8973 -8.8973 -8.8125 -8.8125 -8.7253 -8.7253 -8.5924 -8.5924 -7.9109 -7.9109 -4.5926 -4.5926 4.5250 4.5250 4.9963 4.9963 5.4167 5.4167 5.9220 5.9220 6.2295 6.2295 6.2927 6.2927 9.1309 9.1309 9.6430 9.6430 11.9325 11.9325 12.7601 12.7601 k = 0.3636 0.3636-0.0000 ( 3432 PWs) bands (ev): -26.9525 -26.9525 -26.8844 -26.8844 -9.8842 -9.8842 -9.8577 -9.8577 -8.8961 -8.8961 -8.8211 -8.8211 -8.7263 -8.7263 -8.5911 -8.5911 -7.8936 -7.8936 -4.5763 -4.5763 4.4808 4.4808 5.0024 5.0024 5.3970 5.3970 5.8919 5.8919 6.2304 6.2304 6.2882 6.2882 9.1648 9.1648 9.7412 9.7412 11.8882 11.8882 12.7432 12.7432 k = 0.3545 0.3545-0.0000 ( 3428 PWs) bands (ev): -26.9531 -26.9531 -26.8849 -26.8849 -9.8849 -9.8849 -9.8559 -9.8559 -8.8947 -8.8947 -8.8292 -8.8292 -8.7273 -8.7273 -8.5895 -8.5895 -7.8769 -7.8769 -4.5605 -4.5605 4.4384 4.4384 5.0093 5.0093 5.3772 5.3772 5.8629 5.8629 6.2316 6.2316 6.2844 6.2844 9.2009 9.2009 9.8435 9.8435 11.8375 11.8375 12.7254 12.7254 k = 0.3455 0.3455-0.0000 ( 3436 PWs) bands (ev): -26.9536 -26.9536 -26.8854 -26.8854 -9.8856 -9.8856 -9.8537 -9.8537 -8.8932 -8.8932 -8.8366 -8.8366 -8.7282 -8.7282 -8.5875 -8.5875 -7.8610 -7.8610 -4.5454 -4.5454 4.3984 4.3984 5.0169 5.0169 5.3574 5.3574 5.8354 5.8354 6.2329 6.2329 6.2812 6.2812 9.2391 9.2391 9.9496 9.9496 11.7813 11.7813 12.7067 12.7067 k = 0.3364 0.3364-0.0000 ( 3442 PWs) bands (ev): -26.9542 -26.9542 -26.8860 -26.8860 -9.8865 -9.8865 -9.8511 -9.8511 -8.8916 -8.8916 -8.8432 -8.8432 -8.7291 -8.7291 -8.5853 -8.5853 -7.8460 -7.8460 -4.5313 -4.5313 4.3613 4.3613 5.0253 5.0253 5.3378 5.3378 5.8097 5.8097 6.2345 6.2345 6.2789 6.2789 9.2794 9.2794 10.0592 10.0592 11.7205 11.7205 12.6869 12.6869 k = 0.3273 0.3273-0.0000 ( 3438 PWs) bands (ev): -26.9548 -26.9548 -26.8865 -26.8865 -9.8874 -9.8874 -9.8481 -9.8481 -8.8901 -8.8901 -8.8487 -8.8487 -8.7299 -8.7299 -8.5828 -8.5828 -7.8320 -7.8320 -4.5184 -4.5184 4.3279 4.3279 5.0346 5.0346 5.3184 5.3184 5.7861 5.7861 6.2362 6.2362 6.2774 6.2774 9.3219 9.3219 10.1719 10.1719 11.6558 11.6558 12.6114 12.6114 k = 0.3182 0.3182-0.0000 ( 3430 PWs) bands (ev): -26.9554 -26.9554 -26.8870 -26.8870 -9.8882 -9.8882 -9.8447 -9.8447 -8.8889 -8.8889 -8.8529 -8.8529 -8.7305 -8.7305 -8.5801 -8.5801 -7.8191 -7.8191 -4.5070 -4.5070 4.2985 4.2985 5.0447 5.0447 5.2994 5.2994 5.7648 5.7648 6.2382 6.2382 6.2767 6.2767 9.3663 9.3663 10.2875 10.2875 11.5881 11.5881 12.4601 12.4601 k = 0.3091 0.3091-0.0000 ( 3430 PWs) bands (ev): -26.9561 -26.9561 -26.8876 -26.8876 -9.8891 -9.8891 -9.8409 -9.8409 -8.8882 -8.8882 -8.8555 -8.8555 -8.7310 -8.7310 -8.5771 -8.5771 -7.8075 -7.8075 -4.4972 -4.4972 4.2737 4.2737 5.0558 5.0558 5.2809 5.2809 5.7460 5.7460 6.2404 6.2404 6.2769 6.2769 9.4126 9.4126 10.4054 10.4054 11.5179 11.5179 12.3079 12.3079 k = 0.3000 0.3000-0.0000 ( 3440 PWs) bands (ev): -26.9568 -26.9568 -26.8881 -26.8881 -9.8898 -9.8898 -9.8367 -9.8367 -8.8882 -8.8882 -8.8563 -8.8563 -8.7313 -8.7313 -8.5739 -8.5739 -7.7973 -7.7973 -4.4893 -4.4893 4.2538 4.2538 5.0679 5.0679 5.2631 5.2631 5.7301 5.7301 6.2428 6.2428 6.2780 6.2780 9.4609 9.4609 10.5253 10.5253 11.4460 11.4460 12.1555 12.1555 k = 0.2909 0.2909-0.0000 ( 3430 PWs) bands (ev): -26.9575 -26.9575 -26.8887 -26.8887 -9.8905 -9.8905 -9.8322 -9.8322 -8.8889 -8.8889 -8.8552 -8.8552 -8.7314 -8.7314 -8.5706 -8.5706 -7.7886 -7.7886 -4.4834 -4.4834 4.2394 4.2394 5.0809 5.0809 5.2458 5.2458 5.7171 5.7171 6.2455 6.2455 6.2800 6.2800 9.5110 9.5110 10.6469 10.6469 11.3726 11.3726 12.0029 12.0029 k = 0.2818 0.2818-0.0000 ( 3434 PWs) bands (ev): -26.9583 -26.9583 -26.8892 -26.8892 -9.8911 -9.8911 -9.8273 -9.8273 -8.8900 -8.8900 -8.8527 -8.8527 -8.7312 -8.7312 -8.5671 -8.5671 -7.7813 -7.7813 -4.4797 -4.4797 4.2307 4.2307 5.0950 5.0950 5.2294 5.2294 5.7073 5.7073 6.2485 6.2485 6.2828 6.2828 9.5629 9.5629 10.7695 10.7695 11.2983 11.2983 11.8506 11.8506 k = 0.2727 0.2727-0.0000 ( 3438 PWs) bands (ev): -26.9591 -26.9591 -26.8898 -26.8898 -9.8916 -9.8916 -9.8220 -9.8220 -8.8912 -8.8912 -8.8489 -8.8489 -8.7307 -8.7307 -8.5635 -8.5635 -7.7757 -7.7757 -4.4782 -4.4782 4.2279 4.2279 5.1102 5.1102 5.2137 5.2137 5.7007 5.7007 6.2518 6.2518 6.2864 6.2864 9.6165 9.6165 10.8926 10.8926 11.2233 11.2233 11.6988 11.6988 k = 0.2636 0.2636-0.0000 ( 3438 PWs) bands (ev): -26.9598 -26.9598 -26.8903 -26.8903 -9.8919 -9.8919 -9.8164 -9.8164 -8.8921 -8.8921 -8.8443 -8.8443 -8.7299 -8.7299 -8.5598 -8.5598 -7.7717 -7.7717 -4.4791 -4.4791 4.2314 4.2314 5.1263 5.1263 5.1990 5.1990 5.6975 5.6975 6.2555 6.2555 6.2908 6.2908 9.6716 9.6716 11.0155 11.0155 11.1479 11.1479 11.5477 11.5477 k = 0.2545 0.2545-0.0000 ( 3424 PWs) bands (ev): -26.9606 -26.9606 -26.8909 -26.8909 -9.8921 -9.8921 -9.8105 -9.8105 -8.8926 -8.8926 -8.8390 -8.8390 -8.7287 -8.7287 -8.5559 -8.5559 -7.7694 -7.7694 -4.4825 -4.4825 4.2412 4.2412 5.1431 5.1431 5.1855 5.1855 5.6978 5.6978 6.2597 6.2597 6.2959 6.2959 9.7283 9.7283 11.0722 11.0722 11.1373 11.1373 11.3977 11.3977 k = 0.2455 0.2455-0.0000 ( 3424 PWs) bands (ev): -26.9615 -26.9615 -26.8914 -26.8914 -9.8922 -9.8922 -9.8044 -9.8044 -8.8926 -8.8926 -8.8332 -8.8332 -8.7270 -8.7270 -8.5521 -8.5521 -7.7687 -7.7687 -4.4882 -4.4882 4.2574 4.2574 5.1583 5.1583 5.1756 5.1756 5.7016 5.7016 6.2643 6.2643 6.3016 6.3016 9.7864 9.7864 10.9967 10.9967 11.2440 11.2440 11.2615 11.2615 k = 0.2364 0.2364-0.0000 ( 3438 PWs) bands (ev): -26.9623 -26.9623 -26.8919 -26.8919 -9.8921 -9.8921 -9.7979 -9.7979 -8.8920 -8.8920 -8.8269 -8.8269 -8.7248 -8.7248 -8.5481 -8.5481 -7.7698 -7.7698 -4.4964 -4.4964 4.2801 4.2801 5.1560 5.1560 5.1853 5.1853 5.7088 5.7088 6.2694 6.2694 6.3080 6.3080 9.8458 9.8458 10.9212 10.9212 11.1010 11.1010 11.3726 11.3726 k = 0.2273 0.2273-0.0000 ( 3438 PWs) bands (ev): -26.9632 -26.9632 -26.8924 -26.8924 -9.8918 -9.8918 -9.7912 -9.7912 -8.8909 -8.8909 -8.8202 -8.8202 -8.7221 -8.7221 -8.5441 -8.5441 -7.7726 -7.7726 -4.5070 -4.5070 4.3093 4.3093 5.1456 5.1456 5.2050 5.2050 5.7196 5.7196 6.2750 6.2750 6.3149 6.3149 9.9064 9.9064 10.8459 10.8459 10.9555 10.9555 11.4819 11.4819 k = 0.2182 0.2182-0.0000 ( 3438 PWs) bands (ev): -26.9640 -26.9640 -26.8929 -26.8929 -9.8914 -9.8914 -9.7843 -9.7843 -8.8892 -8.8892 -8.8133 -8.8133 -8.7188 -8.7188 -8.5401 -8.5401 -7.7771 -7.7771 -4.5198 -4.5198 4.3448 4.3448 5.1352 5.1352 5.2267 5.2267 5.7339 5.7339 6.2811 6.2811 6.3224 6.3224 9.9680 9.9680 10.7707 10.7707 10.8122 10.8122 11.5822 11.5822 k = 0.2091 0.2091-0.0000 ( 3454 PWs) bands (ev): -26.9649 -26.9649 -26.8934 -26.8934 -9.8909 -9.8909 -9.7772 -9.7772 -8.8870 -8.8870 -8.8062 -8.8062 -8.7147 -8.7147 -8.5362 -8.5362 -7.7833 -7.7833 -4.5348 -4.5348 4.3865 4.3865 5.1255 5.1255 5.2498 5.2498 5.7515 5.7515 6.2877 6.2877 6.3303 6.3303 10.0305 10.0305 10.6698 10.6698 10.6972 10.6972 11.6695 11.6695 k = 0.2000 0.2000-0.0000 ( 3460 PWs) bands (ev): -26.9657 -26.9657 -26.8938 -26.8938 -9.8902 -9.8902 -9.7699 -9.7699 -8.8842 -8.8842 -8.7990 -8.7990 -8.7099 -8.7099 -8.5322 -8.5322 -7.7911 -7.7911 -4.5518 -4.5518 4.4343 4.4343 5.1166 5.1166 5.2740 5.2740 5.7725 5.7725 6.2948 6.2948 6.3386 6.3386 10.0938 10.0938 10.5313 10.5313 10.6226 10.6226 11.7392 11.7392 k = 0.1909 0.1909-0.0000 ( 3450 PWs) bands (ev): -26.9666 -26.9666 -26.8942 -26.8942 -9.8894 -9.8894 -9.7626 -9.7626 -8.8810 -8.8810 -8.7917 -8.7917 -8.7043 -8.7043 -8.5283 -8.5283 -7.8006 -7.8006 -4.5706 -4.5706 4.4877 4.4877 5.1084 5.1084 5.2993 5.2993 5.7967 5.7967 6.3023 6.3023 6.3474 6.3474 10.1576 10.1576 10.3952 10.3952 10.5487 10.5487 11.7868 11.7868 k = 0.1818 0.1818-0.0000 ( 3438 PWs) bands (ev): -26.9674 -26.9674 -26.8947 -26.8947 -9.8885 -9.8885 -9.7551 -9.7551 -8.8773 -8.8773 -8.7843 -8.7843 -8.6977 -8.6977 -8.5244 -8.5244 -7.8116 -7.8116 -4.5911 -4.5911 4.5466 4.5466 5.1009 5.1009 5.3256 5.3256 5.8239 5.8239 6.3102 6.3102 6.3564 6.3564 10.2217 10.2217 10.2621 10.2621 10.4754 10.4754 11.8098 11.8098 k = 0.1727 0.1727-0.0000 ( 3454 PWs) bands (ev): -26.9682 -26.9682 -26.8951 -26.8951 -9.8875 -9.8875 -9.7477 -9.7477 -8.8732 -8.8732 -8.7771 -8.7771 -8.6903 -8.6903 -8.5206 -8.5206 -7.8241 -7.8241 -4.6130 -4.6130 4.6105 4.6105 5.0942 5.0942 5.3529 5.3529 5.8540 5.8540 6.3184 6.3184 6.3658 6.3658 10.1321 10.1321 10.2861 10.2861 10.4026 10.4026 11.8087 11.8087 k = 0.1636 0.1636-0.0000 ( 3458 PWs) bands (ev): -26.9690 -26.9690 -26.8955 -26.8955 -9.8865 -9.8865 -9.7403 -9.7403 -8.8689 -8.8689 -8.7699 -8.7699 -8.6819 -8.6819 -8.5169 -8.5169 -7.8379 -7.8379 -4.6360 -4.6360 4.6788 4.6788 5.0882 5.0882 5.3811 5.3811 5.8867 5.8867 6.3270 6.3270 6.3753 6.3753 10.0057 10.0057 10.3303 10.3303 10.3503 10.3503 11.7874 11.7874 k = 0.1545 0.1545-0.0000 ( 3440 PWs) bands (ev): -26.9698 -26.9698 -26.8958 -26.8958 -9.8853 -9.8853 -9.7330 -9.7330 -8.8643 -8.8643 -8.7627 -8.7627 -8.6725 -8.6725 -8.5133 -8.5133 -7.8531 -7.8531 -4.6600 -4.6600 4.7512 4.7512 5.0828 5.0828 5.4100 5.4100 5.9219 5.9219 6.3358 6.3358 6.3850 6.3850 9.8830 9.8830 10.2586 10.2586 10.4141 10.4141 11.7509 11.7509 k = 0.1455 0.1455-0.0000 ( 3436 PWs) bands (ev): -26.9706 -26.9706 -26.8962 -26.8962 -9.8842 -9.8842 -9.7257 -9.7257 -8.8596 -8.8596 -8.7556 -8.7556 -8.6623 -8.6623 -8.5098 -8.5098 -7.8695 -7.8695 -4.6846 -4.6846 4.8270 4.8270 5.0780 5.0780 5.4395 5.4395 5.9592 5.9592 6.3448 6.3448 6.3948 6.3948 9.7644 9.7644 10.1875 10.1875 10.4773 10.4773 11.7044 11.7044 k = 0.1364 0.1364-0.0000 ( 3440 PWs) bands (ev): -26.9713 -26.9713 -26.8965 -26.8965 -9.8830 -9.8830 -9.7187 -9.7187 -8.8549 -8.8549 -8.7485 -8.7485 -8.6512 -8.6512 -8.5064 -8.5064 -7.8869 -7.8869 -4.7096 -4.7096 4.9055 4.9055 5.0739 5.0739 5.4695 5.4695 5.9984 5.9984 6.3539 6.3539 6.4045 6.4045 9.6501 9.6501 10.1170 10.1170 10.5396 10.5396 11.6516 11.6516 k = 0.1273 0.1273-0.0000 ( 3424 PWs) bands (ev): -26.9720 -26.9720 -26.8968 -26.8968 -9.8817 -9.8817 -9.7118 -9.7118 -8.8502 -8.8502 -8.7414 -8.7414 -8.6392 -8.6392 -8.5031 -8.5031 -7.9053 -7.9053 -4.7347 -4.7347 4.9859 4.9859 5.0702 5.0702 5.4998 5.4998 6.0391 6.0391 6.3630 6.3630 6.4142 6.4142 9.5405 9.5405 10.0474 10.0474 10.6007 10.6007 11.5958 11.5958 k = 0.1182 0.1182-0.0000 ( 3436 PWs) bands (ev): -26.9727 -26.9727 -26.8971 -26.8971 -9.8805 -9.8805 -9.7053 -9.7053 -8.8457 -8.8457 -8.7344 -8.7344 -8.6266 -8.6266 -8.5001 -8.5001 -7.9245 -7.9245 -4.7595 -4.7595 5.0658 5.0658 5.0687 5.0687 5.5303 5.5303 6.0809 6.0809 6.3721 6.3721 6.4238 6.4238 9.4358 9.4358 9.9787 9.9787 10.6601 10.6601 11.5389 11.5389 k = 0.1091 0.1091-0.0000 ( 3440 PWs) bands (ev): -26.9734 -26.9734 -26.8973 -26.8973 -9.8794 -9.8794 -9.6990 -9.6990 -8.8413 -8.8413 -8.7274 -8.7274 -8.6133 -8.6133 -8.4972 -8.4972 -7.9444 -7.9444 -4.7839 -4.7839 5.0643 5.0643 5.1493 5.1493 5.5607 5.5607 6.1236 6.1236 6.3811 6.3811 6.4331 6.4331 9.3364 9.3364 9.9112 9.9112 10.7176 10.7176 11.4826 11.4826 k = 0.1000 0.1000-0.0000 ( 3439 PWs) bands (ev): -26.9740 -26.9740 -26.8976 -26.8976 -9.8782 -9.8782 -9.6930 -9.6930 -8.8372 -8.8372 -8.7205 -8.7205 -8.5995 -8.5995 -8.4944 -8.4944 -7.9647 -7.9647 -4.8076 -4.8076 5.0620 5.0620 5.2301 5.2301 5.5908 5.5908 6.1666 6.1666 6.3899 6.3899 6.4421 6.4421 9.2428 9.2428 9.8452 9.8452 10.7727 10.7727 11.4281 11.4281 k = 0.0909 0.0909-0.0000 ( 3443 PWs) bands (ev): -26.9746 -26.9746 -26.8978 -26.8978 -9.8771 -9.8771 -9.6874 -9.6874 -8.8333 -8.8333 -8.7137 -8.7137 -8.5852 -8.5852 -8.4919 -8.4919 -7.9853 -7.9853 -4.8302 -4.8302 5.0600 5.0600 5.3090 5.3090 5.6204 5.6204 6.2095 6.2095 6.3985 6.3985 6.4508 6.4508 9.1552 9.1552 9.7810 9.7810 10.8250 10.8250 11.3763 11.3763 k = 0.0818 0.0818-0.0000 ( 3443 PWs) bands (ev): -26.9751 -26.9751 -26.8980 -26.8980 -9.8761 -9.8761 -9.6823 -9.6823 -8.8298 -8.8298 -8.7071 -8.7071 -8.5707 -8.5707 -8.4896 -8.4896 -8.0059 -8.0059 -4.8515 -4.8515 5.0584 5.0584 5.3845 5.3845 5.6493 5.6493 6.2517 6.2517 6.4067 6.4067 6.4590 6.4590 9.0741 9.0741 9.7191 9.7191 10.8741 10.8741 11.3278 11.3278 k = 0.0727 0.0727-0.0000 ( 3447 PWs) bands (ev): -26.9755 -26.9755 -26.8982 -26.8982 -9.8752 -9.8752 -9.6776 -9.6776 -8.8267 -8.8267 -8.7009 -8.7009 -8.5560 -8.5560 -8.4874 -8.4874 -8.0262 -8.0262 -4.8713 -4.8713 5.0570 5.0570 5.4555 5.4555 5.6774 5.6774 6.2924 6.2924 6.4146 6.4146 6.4667 6.4667 8.9999 8.9999 9.6602 9.6602 10.9196 10.9196 11.2833 11.2833 k = 0.0636 0.0636-0.0000 ( 3447 PWs) bands (ev): -26.9760 -26.9760 -26.8983 -26.8983 -9.8743 -9.8743 -9.6734 -9.6734 -8.8239 -8.8239 -8.6951 -8.6951 -8.5415 -8.5415 -8.4855 -8.4855 -8.0459 -8.0459 -4.8893 -4.8893 5.0559 5.0559 5.5204 5.5204 5.7045 5.7045 6.3310 6.3310 6.4223 6.4223 6.4737 6.4737 8.9330 8.9330 9.6049 9.6049 10.9609 10.9609 11.2431 11.2431 k = 0.0545 0.0545-0.0000 ( 3451 PWs) bands (ev): -26.9763 -26.9763 -26.8985 -26.8985 -9.8736 -9.8736 -9.6697 -9.6697 -8.8215 -8.8215 -8.6898 -8.6898 -8.5275 -8.5275 -8.4839 -8.4839 -8.0648 -8.0648 -4.9054 -4.9054 5.0550 5.0550 5.5778 5.5778 5.7305 5.7305 6.3660 6.3660 6.4300 6.4300 6.4802 6.4802 8.8739 8.8739 9.5540 9.5540 10.9977 10.9977 11.2077 11.2077 k = 0.0455 0.0455-0.0000 ( 3455 PWs) bands (ev): -26.9767 -26.9767 -26.8986 -26.8986 -9.8729 -9.8729 -9.6665 -9.6665 -8.8194 -8.8194 -8.6851 -8.6851 -8.5142 -8.5142 -8.4824 -8.4824 -8.0822 -8.0822 -4.9194 -4.9194 5.0543 5.0543 5.6263 5.6263 5.7553 5.7553 6.3956 6.3956 6.4389 6.4389 6.4862 6.4862 8.8230 8.8230 9.5086 9.5086 11.0296 11.0296 11.1773 11.1773 k = 0.0364 0.0364-0.0000 ( 3447 PWs) bands (ev): -26.9769 -26.9769 -26.8987 -26.8987 -9.8724 -9.8724 -9.6638 -9.6638 -8.8178 -8.8178 -8.6811 -8.6811 -8.5022 -8.5022 -8.4812 -8.4812 -8.0977 -8.0977 -4.9310 -4.9310 5.0537 5.0537 5.6650 5.6650 5.7787 5.7787 6.4162 6.4162 6.4511 6.4511 6.4917 6.4917 8.7807 8.7807 9.4695 9.4695 11.0561 11.0561 11.1524 11.1524 k = 0.0273 0.0273-0.0000 ( 3451 PWs) bands (ev): -26.9771 -26.9771 -26.8988 -26.8988 -9.8719 -9.8719 -9.6618 -9.6618 -8.8165 -8.8165 -8.6780 -8.6780 -8.4920 -8.4920 -8.4802 -8.4802 -8.1106 -8.1106 -4.9402 -4.9402 5.0533 5.0533 5.6937 5.6937 5.7995 5.7995 6.4274 6.4274 6.4657 6.4657 6.4971 6.4971 8.7474 8.7474 9.4379 9.4379 11.0766 11.0766 11.1332 11.1332 k = 0.0182 0.0182-0.0000 ( 3447 PWs) bands (ev): -26.9772 -26.9772 -26.8988 -26.8988 -9.8716 -9.8716 -9.6603 -9.6603 -8.8156 -8.8156 -8.6757 -8.6757 -8.4842 -8.4842 -8.4794 -8.4794 -8.1205 -8.1205 -4.9468 -4.9468 5.0531 5.0531 5.7130 5.7130 5.8162 5.8162 6.4329 6.4329 6.4775 6.4775 6.5029 6.5029 8.7234 8.7234 9.4145 9.4145 11.0903 11.0903 11.1206 11.1206 k = 0.0091 0.0091-0.0000 ( 3447 PWs) bands (ev): -26.9773 -26.9773 -26.8989 -26.8989 -9.8714 -9.8714 -9.6594 -9.6594 -8.8150 -8.8150 -8.6743 -8.6743 -8.4802 -8.4802 -8.4781 -8.4781 -8.1267 -8.1267 -4.9509 -4.9509 5.0529 5.0529 5.7241 5.7241 5.8270 5.8270 6.4357 6.4357 6.4839 6.4839 6.5080 6.5080 8.7088 8.7088 9.4001 9.4001 11.0959 11.0959 11.1156 11.1156 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -26.9774 -26.9774 -26.8989 -26.8989 -9.8714 -9.8714 -9.6591 -9.6591 -8.8149 -8.8149 -8.6738 -8.6738 -8.4796 -8.4796 -8.4768 -8.4768 -8.1289 -8.1289 -4.9522 -4.9522 5.0528 5.0528 5.7277 5.7277 5.8307 5.8307 6.4365 6.4365 6.4857 6.4857 6.5101 6.5101 8.7040 8.7040 9.3953 9.3953 11.0965 11.0965 11.1152 11.1152 k = 0.0000 0.0000 0.0000 ( 3483 PWs) bands (ev): -26.9774 -26.9774 -26.8989 -26.8989 -9.8714 -9.8714 -9.6591 -9.6591 -8.8149 -8.8149 -8.6738 -8.6738 -8.4796 -8.4796 -8.4768 -8.4768 -8.1289 -8.1289 -4.9522 -4.9522 5.0528 5.0528 5.7277 5.7277 5.8307 5.8307 6.4365 6.4365 6.4857 6.4857 6.5101 6.5101 8.7040 8.7040 9.3953 9.3953 11.0965 11.0965 11.1152 11.1152 k = 0.0000 0.0000 0.0126 ( 3447 PWs) bands (ev): -26.9773 -26.9773 -26.8989 -26.8989 -9.8713 -9.8713 -9.6594 -9.6594 -8.8150 -8.8150 -8.6737 -8.6737 -8.4814 -8.4814 -8.4769 -8.4769 -8.1268 -8.1268 -4.9511 -4.9511 5.0497 5.0497 5.7275 5.7275 5.8304 5.8304 6.4331 6.4331 6.4844 6.4844 6.5098 6.5098 8.7048 8.7048 9.4003 9.4003 11.0996 11.0996 11.1183 11.1183 k = 0.0000 0.0000 0.0253 ( 3447 PWs) bands (ev): -26.9773 -26.9773 -26.8990 -26.8990 -9.8712 -9.8712 -9.6602 -9.6602 -8.8156 -8.8156 -8.6734 -8.6734 -8.4865 -8.4865 -8.4772 -8.4772 -8.1209 -8.1209 -4.9477 -4.9477 5.0402 5.0402 5.7266 5.7266 5.8295 5.8295 6.4224 6.4224 6.4811 6.4811 6.5087 6.5087 8.7074 8.7074 9.4150 9.4150 11.1087 11.1087 11.1275 11.1275 k = 0.0000 0.0000 0.0379 ( 3455 PWs) bands (ev): -26.9772 -26.9772 -26.8991 -26.8991 -9.8711 -9.8711 -9.6617 -9.6617 -8.8165 -8.8165 -8.6729 -8.6729 -8.4947 -8.4947 -8.4777 -8.4777 -8.1114 -8.1114 -4.9421 -4.9421 5.0244 5.0244 5.7253 5.7253 5.8281 5.8281 6.4038 6.4038 6.4770 6.4770 6.5069 6.5069 8.7116 8.7116 9.4389 9.4389 11.1240 11.1240 11.1428 11.1428 k = 0.0000 0.0000 0.0505 ( 3447 PWs) bands (ev): -26.9770 -26.9770 -26.8992 -26.8992 -9.8708 -9.8708 -9.6636 -9.6636 -8.8178 -8.8178 -8.6722 -8.6722 -8.5054 -8.5054 -8.4784 -8.4784 -8.0989 -8.0989 -4.9344 -4.9344 5.0027 5.0027 5.7234 5.7234 5.8261 5.8261 6.3775 6.3775 6.4727 6.4727 6.5045 6.5045 8.7175 8.7175 9.4713 9.4713 11.1452 11.1452 11.1641 11.1641 k = 0.0000 0.0000 0.0631 ( 3455 PWs) bands (ev): -26.9768 -26.9768 -26.8994 -26.8994 -9.8705 -9.8705 -9.6661 -9.6661 -8.8193 -8.8193 -8.6713 -8.6713 -8.5181 -8.5181 -8.4793 -8.4793 -8.0839 -8.0839 -4.9246 -4.9246 4.9751 4.9751 5.7210 5.7210 5.8236 5.8236 6.3444 6.3444 6.4683 6.4683 6.5014 6.5014 8.7249 8.7249 9.5112 9.5112 11.1723 11.1723 11.1913 11.1913 k = 0.0000 0.0000 0.0758 ( 3459 PWs) bands (ev): -26.9766 -26.9766 -26.8996 -26.8996 -9.8701 -9.8701 -9.6692 -9.6692 -8.8211 -8.8211 -8.6703 -8.6703 -8.5323 -8.5323 -8.4804 -8.4804 -8.0671 -8.0671 -4.9129 -4.9129 4.9422 4.9422 5.7182 5.7182 5.8206 5.8206 6.3057 6.3057 6.4638 6.4638 6.4978 6.4978 8.7340 8.7340 9.5575 9.5575 11.2052 11.2052 11.2241 11.2241 k = 0.0000 0.0000 0.0884 ( 3451 PWs) bands (ev): -26.9763 -26.9763 -26.8999 -26.8999 -9.8696 -9.8696 -9.6727 -9.6727 -8.8232 -8.8232 -8.6690 -8.6690 -8.5474 -8.5474 -8.4816 -8.4816 -8.0489 -8.0489 -4.8995 -4.8995 4.9042 4.9042 5.7149 5.7149 5.8172 5.8172 6.2627 6.2627 6.4590 6.4590 6.4937 6.4937 8.7447 8.7447 9.6091 9.6091 11.2438 11.2438 11.2616 11.2616 k = 0.0000 0.0000 0.1010 ( 3451 PWs) bands (ev): -26.9760 -26.9760 -26.9002 -26.9002 -9.8690 -9.8690 -9.6767 -9.6767 -8.8254 -8.8254 -8.6676 -8.6676 -8.5632 -8.5632 -8.4831 -8.4831 -8.0297 -8.0297 -4.8843 -4.8843 4.8618 4.8618 5.7113 5.7113 5.8133 5.8133 6.2166 6.2166 6.4539 6.4539 6.4891 6.4891 8.7568 8.7568 9.6649 9.6649 11.2828 11.2828 11.2879 11.2879 k = 0.0000 0.0000 0.1136 ( 3447 PWs) bands (ev): -26.9756 -26.9756 -26.9005 -26.9005 -9.8683 -9.8683 -9.6812 -9.6812 -8.8277 -8.8277 -8.6660 -8.6660 -8.5794 -8.5794 -8.4847 -8.4847 -8.0099 -8.0099 -4.8678 -4.8678 4.8154 4.8154 5.7073 5.7073 5.8091 5.8091 6.1686 6.1686 6.4486 6.4486 6.4842 6.4842 8.7703 8.7703 9.7240 9.7240 11.2487 11.2487 11.3373 11.3373 k = 0.0000 0.0000 0.1263 ( 3447 PWs) bands (ev): -26.9752 -26.9752 -26.9009 -26.9009 -9.8674 -9.8674 -9.6861 -9.6861 -8.8301 -8.8301 -8.6643 -8.6643 -8.5956 -8.5956 -8.4864 -8.4864 -7.9898 -7.9898 -4.8500 -4.8500 4.7657 4.7657 5.7030 5.7030 5.8046 5.8046 6.1194 6.1194 6.4430 6.4430 6.4790 6.4790 8.7851 8.7851 9.7855 9.7855 11.2075 11.2075 11.3918 11.3918 k = 0.0000 0.0000 0.1389 ( 3443 PWs) bands (ev): -26.9748 -26.9748 -26.9013 -26.9013 -9.8664 -9.8664 -9.6914 -9.6914 -8.8325 -8.8325 -8.6625 -8.6625 -8.6118 -8.6118 -8.4882 -8.4882 -7.9696 -7.9696 -4.8312 -4.8312 4.7133 4.7133 5.6985 5.6985 5.7998 5.7998 6.0701 6.0701 6.4373 6.4373 6.4736 6.4736 8.8011 8.8011 9.8487 9.8487 11.1637 11.1637 11.4511 11.4511 k = 0.0000 0.0000 0.1515 ( 3452 PWs) bands (ev): -26.9744 -26.9744 -26.9017 -26.9017 -9.8652 -9.8652 -9.6970 -9.6970 -8.8348 -8.8348 -8.6605 -8.6605 -8.6277 -8.6277 -8.4902 -8.4902 -7.9495 -7.9495 -4.8115 -4.8115 4.6590 4.6590 5.6937 5.6937 5.7948 5.7948 6.0212 6.0212 6.4315 6.4315 6.4680 6.4680 8.8183 8.8183 9.9130 9.9130 11.1182 11.1182 11.5151 11.5151 k = 0.0000 0.0000 0.1641 ( 3452 PWs) bands (ev): -26.9740 -26.9740 -26.9021 -26.9021 -9.8638 -9.8638 -9.7030 -9.7030 -8.8371 -8.8371 -8.6585 -8.6585 -8.6433 -8.6433 -8.4923 -8.4923 -7.9298 -7.9298 -4.7914 -4.7914 4.6035 4.6035 5.6889 5.6889 5.7897 5.7897 5.9734 5.9734 6.4256 6.4256 6.4624 6.4624 8.8364 8.8364 9.9779 9.9779 11.0715 11.0715 11.5835 11.5835 k = 0.0000 0.0000 0.1768 ( 3432 PWs) bands (ev): -26.9735 -26.9735 -26.9025 -26.9025 -9.8622 -9.8622 -9.7093 -9.7093 -8.8391 -8.8391 -8.6584 -8.6584 -8.6563 -8.6563 -8.4945 -8.4945 -7.9107 -7.9107 -4.7709 -4.7709 4.5476 4.5476 5.6840 5.6840 5.7845 5.7845 5.9271 5.9271 6.4198 6.4198 6.4568 6.4568 8.8553 8.8553 10.0430 10.0430 11.0242 11.0242 11.6560 11.6560 k = 0.0000 0.0000 0.1894 ( 3448 PWs) bands (ev): -26.9731 -26.9731 -26.9029 -26.9029 -9.8604 -9.8604 -9.7158 -9.7158 -8.8410 -8.8410 -8.6730 -8.6730 -8.6542 -8.6542 -8.4967 -8.4967 -7.8922 -7.8922 -4.7503 -4.7503 4.4919 4.4919 5.6791 5.6791 5.7793 5.7793 5.8827 5.8827 6.4140 6.4140 6.4513 6.4513 8.8748 8.8748 10.1079 10.1079 10.9768 10.9768 11.7322 11.7322 k = 0.0000 0.0000 0.2020 ( 3448 PWs) bands (ev): -26.9726 -26.9726 -26.9034 -26.9034 -9.8584 -9.8584 -9.7225 -9.7225 -8.8426 -8.8426 -8.6870 -8.6870 -8.6519 -8.6519 -8.4989 -8.4989 -7.8745 -7.8745 -4.7300 -4.7300 4.4371 4.4371 5.6742 5.6742 5.7742 5.7742 5.8407 5.8407 6.4085 6.4085 6.4459 6.4459 8.8948 8.8948 10.1725 10.1725 10.9298 10.9298 11.8118 11.8118 k = 0.0000 0.0000 0.2147 ( 3452 PWs) bands (ev): -26.9722 -26.9722 -26.9038 -26.9038 -9.8561 -9.8561 -9.7293 -9.7293 -8.8438 -8.8438 -8.7004 -8.7004 -8.6497 -8.6497 -8.5012 -8.5012 -7.8578 -7.8578 -4.7101 -4.7101 4.3840 4.3840 5.6693 5.6693 5.7692 5.7692 5.8012 5.8012 6.4031 6.4031 6.4407 6.4407 8.9149 8.9149 10.2363 10.2363 10.8838 10.8838 11.8943 11.8943 k = 0.0000 0.0000 0.2273 ( 3456 PWs) bands (ev): -26.9717 -26.9717 -26.9042 -26.9042 -9.8536 -9.8536 -9.7363 -9.7363 -8.8448 -8.8448 -8.7130 -8.7130 -8.6475 -8.6475 -8.5034 -8.5034 -7.8421 -7.8421 -4.6909 -4.6909 4.3333 4.3333 5.6646 5.6646 5.7644 5.7644 5.7645 5.7645 6.3981 6.3981 6.4358 6.4358 8.9350 8.9350 10.2991 10.2991 10.8393 10.8393 11.9793 11.9794 k = 0.0000 0.0000 0.2399 ( 3448 PWs) bands (ev): -26.9713 -26.9713 -26.9046 -26.9046 -9.8508 -9.8508 -9.7432 -9.7432 -8.8454 -8.8454 -8.7249 -8.7249 -8.6453 -8.6453 -8.5056 -8.5056 -7.8276 -7.8276 -4.6727 -4.6727 4.2855 4.2855 5.6599 5.6599 5.7311 5.7311 5.7598 5.7598 6.3933 6.3933 6.4313 6.4313 8.9548 8.9548 10.3606 10.3606 10.7968 10.7968 12.0016 12.0016 k = 0.0000 0.0000 0.2525 ( 3448 PWs) bands (ev): -26.9709 -26.9709 -26.9050 -26.9050 -9.8478 -9.8478 -9.7502 -9.7502 -8.8456 -8.8456 -8.7360 -8.7360 -8.6432 -8.6432 -8.5077 -8.5077 -7.8144 -7.8144 -4.6557 -4.6557 4.2411 4.2411 5.6551 5.6551 5.7012 5.7012 5.7556 5.7556 6.3890 6.3890 6.4270 6.4270 8.9738 8.9738 10.4203 10.4203 10.7568 10.7568 11.9995 11.9995 k = 0.0000 0.0000 0.2652 ( 3448 PWs) bands (ev): -26.9706 -26.9706 -26.9053 -26.9053 -9.8445 -9.8445 -9.7570 -9.7570 -8.8455 -8.8455 -8.7462 -8.7462 -8.6413 -8.6413 -8.5097 -8.5097 -7.8025 -7.8025 -4.6401 -4.6401 4.2008 4.2008 5.6492 5.6492 5.6759 5.6759 5.7517 5.7517 6.3850 6.3850 6.4232 6.4232 8.9919 8.9919 10.4776 10.4776 10.7199 10.7199 11.9353 11.9353 k = 0.0000 0.0000 0.2778 ( 3452 PWs) bands (ev): -26.9702 -26.9702 -26.9056 -26.9056 -9.8410 -9.8410 -9.7638 -9.7638 -8.8450 -8.8450 -8.7555 -8.7555 -8.6394 -8.6394 -8.5115 -8.5115 -7.7921 -7.7921 -4.6261 -4.6261 4.1649 4.1649 5.6387 5.6387 5.6591 5.6591 5.7482 5.7482 6.3815 6.3815 6.4199 6.4199 9.0086 9.0086 10.5319 10.5319 10.6865 10.6865 11.8741 11.8741 k = 0.0000 0.0000 0.2904 ( 3448 PWs) bands (ev): -26.9699 -26.9699 -26.9059 -26.9059 -9.8374 -9.8374 -9.7702 -9.7702 -8.8442 -8.8442 -8.7637 -8.7637 -8.6378 -8.6378 -8.5132 -8.5132 -7.7832 -7.7832 -4.6139 -4.6139 4.1338 4.1338 5.6227 5.6227 5.6518 5.6518 5.7452 5.7452 6.3785 6.3785 6.4170 6.4170 9.0236 9.0236 10.5821 10.5821 10.6573 10.6573 11.8175 11.8175 k = 0.0000 0.0000 0.3030 ( 3440 PWs) bands (ev): -26.9697 -26.9697 -26.9062 -26.9062 -9.8336 -9.8336 -9.7763 -9.7763 -8.8432 -8.8432 -8.7709 -8.7709 -8.6365 -8.6365 -8.5146 -8.5146 -7.7758 -7.7758 -4.6037 -4.6037 4.1079 4.1079 5.6071 5.6071 5.6480 5.6480 5.7427 5.7427 6.3760 6.3760 6.4146 6.4146 9.0364 9.0364 10.6269 10.6269 10.6325 10.6325 11.7670 11.7670 k = 0.0000 0.0000 0.3157 ( 3424 PWs) bands (ev): -26.9695 -26.9695 -26.9063 -26.9063 -9.8299 -9.8299 -9.7818 -9.7818 -8.8421 -8.8421 -8.7768 -8.7768 -8.6353 -8.6353 -8.5157 -8.5157 -7.7699 -7.7699 -4.5957 -4.5957 4.0875 4.0875 5.5945 5.5945 5.6456 5.6456 5.7407 5.7407 6.3741 6.3741 6.4127 6.4127 9.0468 9.0468 10.6128 10.6128 10.6647 10.6647 11.7246 11.7246 k = 0.0000 0.0000 0.3283 ( 3432 PWs) bands (ev): -26.9694 -26.9694 -26.9065 -26.9065 -9.8266 -9.8266 -9.7865 -9.7865 -8.8412 -8.8412 -8.7812 -8.7812 -8.6345 -8.6345 -8.5165 -8.5165 -7.7658 -7.7658 -4.5898 -4.5898 4.0728 4.0728 5.5852 5.5852 5.6440 5.6440 5.7393 5.7393 6.3727 6.3727 6.4113 6.4113 9.0545 9.0545 10.5984 10.5984 10.6937 10.6937 11.6921 11.6921 k = 0.0000 0.0000 0.3409 ( 3432 PWs) bands (ev): -26.9693 -26.9693 -26.9066 -26.9066 -9.8242 -9.8242 -9.7897 -9.7897 -8.8405 -8.8405 -8.7840 -8.7840 -8.6340 -8.6340 -8.5170 -8.5170 -7.7633 -7.7633 -4.5863 -4.5863 4.0638 4.0638 5.5797 5.5797 5.6430 5.6430 5.7384 5.7384 6.3718 6.3718 6.4105 6.4105 9.0592 9.0592 10.5897 10.5897 10.7120 10.7120 11.6717 11.6717 k = 0.0000 0.0000 0.3536 ( 3432 PWs) bands (ev): -26.9692 -26.9692 -26.9066 -26.9066 -9.8233 -9.8233 -9.7909 -9.7909 -8.8402 -8.8402 -8.7850 -8.7850 -8.6339 -8.6339 -8.5172 -8.5172 -7.7624 -7.7624 -4.5851 -4.5851 4.0609 4.0609 5.5778 5.5778 5.6427 5.6427 5.7381 5.7381 6.3715 6.3715 6.4102 6.4102 9.0608 9.0608 10.5868 10.5868 10.7183 10.7183 11.6647 11.6647 k = 0.0000 0.0000 0.3536 ( 3432 PWs) bands (ev): -26.9692 -26.9692 -26.9066 -26.9066 -9.8233 -9.8233 -9.7909 -9.7909 -8.8402 -8.8402 -8.7850 -8.7850 -8.6339 -8.6339 -8.5172 -8.5172 -7.7624 -7.7624 -4.5851 -4.5851 4.0609 4.0609 5.5778 5.5778 5.6427 5.6427 5.7381 5.7381 6.3715 6.3715 6.4102 6.4102 9.0608 9.0608 10.5868 10.5868 10.7183 10.7183 11.6647 11.6647 k = 0.0000 0.0128 0.3536 ( 3432 PWs) bands (ev): -26.9692 -26.9692 -26.9066 -26.9066 -9.8236 -9.8236 -9.7912 -9.7912 -8.8410 -8.8410 -8.7852 -8.7852 -8.6337 -8.6337 -8.5171 -8.5171 -7.7617 -7.7617 -4.5839 -4.5839 4.0606 4.0606 5.5695 5.5695 5.6449 5.6449 5.7370 5.7370 6.3701 6.3701 6.4087 6.4087 9.0655 9.0655 10.5890 10.5890 10.7213 10.7213 11.6696 11.6696 k = 0.0000 0.0256 0.3536 ( 3428 PWs) bands (ev): -26.9692 -26.9692 -26.9065 -26.9065 -9.8244 -9.8244 -9.7919 -9.7919 -8.8432 -8.8432 -8.7859 -8.7859 -8.6333 -8.6333 -8.5169 -8.5169 -7.7595 -7.7595 -4.5803 -4.5803 4.0599 4.0599 5.5478 5.5478 5.6482 5.6482 5.7339 5.7339 6.3656 6.3656 6.4043 6.4043 9.0796 9.0796 10.5955 10.5955 10.7302 10.7302 11.6843 11.6843 k = 0.0000 0.0385 0.3536 ( 3424 PWs) bands (ev): -26.9691 -26.9691 -26.9064 -26.9064 -9.8258 -9.8258 -9.7931 -9.7931 -8.8469 -8.8469 -8.7871 -8.7871 -8.6327 -8.6327 -8.5165 -8.5165 -7.7560 -7.7560 -4.5743 -4.5743 4.0587 4.0587 5.5162 5.5162 5.6483 5.6483 5.7301 5.7301 6.3578 6.3578 6.3974 6.3974 9.1029 9.1029 10.6061 10.6061 10.7451 10.7451 11.7086 11.7086 k = 0.0000 0.0513 0.3536 ( 3424 PWs) bands (ev): -26.9690 -26.9690 -26.9062 -26.9062 -9.8277 -9.8277 -9.7947 -9.7947 -8.8518 -8.8518 -8.7889 -8.7889 -8.6318 -8.6318 -8.5160 -8.5160 -7.7510 -7.7510 -4.5661 -4.5661 4.0570 4.0570 5.4765 5.4765 5.6428 5.6428 5.7267 5.7267 6.3464 6.3464 6.3885 6.3885 9.1350 9.1350 10.6205 10.6205 10.7660 10.7660 11.7423 11.7423 k = 0.0000 0.0641 0.3536 ( 3430 PWs) bands (ev): -26.9688 -26.9688 -26.9060 -26.9060 -9.8302 -9.8302 -9.7968 -9.7968 -8.8578 -8.8578 -8.7914 -8.7914 -8.6307 -8.6307 -8.5154 -8.5154 -7.7448 -7.7448 -4.5555 -4.5555 4.0548 4.0548 5.4295 5.4295 5.6307 5.6307 5.7249 5.7249 6.3311 6.3311 6.3781 6.3781 9.1754 9.1754 10.6385 10.6385 10.7929 10.7929 11.7851 11.7851 k = 0.0000 0.0769 0.3536 ( 3430 PWs) bands (ev): -26.9686 -26.9686 -26.9058 -26.9058 -9.8332 -9.8332 -9.7994 -9.7994 -8.8647 -8.8647 -8.7945 -8.7945 -8.6293 -8.6293 -8.5147 -8.5147 -7.7374 -7.7374 -4.5428 -4.5428 4.0521 4.0521 5.3758 5.3758 5.6125 5.6125 5.7244 5.7244 6.3121 6.3121 6.3666 6.3666 9.2236 9.2236 10.6596 10.6596 10.8255 10.8255 11.8364 11.8364 k = 0.0000 0.0897 0.3536 ( 3426 PWs) bands (ev): -26.9684 -26.9684 -26.9055 -26.9055 -9.8367 -9.8367 -9.8024 -9.8024 -8.8723 -8.8723 -8.7983 -8.7983 -8.6277 -8.6277 -8.5139 -8.5139 -7.7288 -7.7288 -4.5280 -4.5280 4.0489 4.0489 5.3159 5.3159 5.5892 5.5892 5.7249 5.7249 6.2894 6.2894 6.3541 6.3541 9.2790 9.2790 10.6836 10.6836 10.8637 10.8637 11.8958 11.8958 k = 0.0000 0.1026 0.3536 ( 3418 PWs) bands (ev): -26.9682 -26.9682 -26.9052 -26.9052 -9.8407 -9.8407 -9.8059 -9.8059 -8.8806 -8.8806 -8.8028 -8.8028 -8.6259 -8.6259 -8.5130 -8.5130 -7.7192 -7.7192 -4.5111 -4.5111 4.0453 4.0453 5.2506 5.2506 5.5618 5.5618 5.7259 5.7259 6.2636 6.2636 6.3405 6.3405 9.3411 9.3411 10.7103 10.7103 10.9070 10.9070 11.9626 11.9626 k = 0.0000 0.1154 0.3536 ( 3422 PWs) bands (ev): -26.9679 -26.9679 -26.9048 -26.9048 -9.8452 -9.8452 -9.8098 -9.8098 -8.8893 -8.8893 -8.8079 -8.8079 -8.6239 -8.6239 -8.5121 -8.5121 -7.7086 -7.7086 -4.4923 -4.4923 4.0411 4.0411 5.1805 5.1805 5.5310 5.5310 5.7270 5.7270 6.2351 6.2351 6.3260 6.3260 9.4094 9.4094 10.7394 10.7394 10.9551 10.9551 12.0359 12.0359 k = 0.0000 0.1282 0.3536 ( 3430 PWs) bands (ev): -26.9676 -26.9676 -26.9044 -26.9044 -9.8502 -9.8502 -9.8141 -9.8141 -8.8984 -8.8984 -8.8136 -8.8136 -8.6218 -8.6218 -8.5111 -8.5111 -7.6972 -7.6972 -4.4718 -4.4718 4.0365 4.0365 5.1063 5.1063 5.4974 5.4974 5.7282 5.7282 6.2044 6.2044 6.3104 6.3104 9.4833 9.4833 10.7707 10.7707 11.0073 11.0073 12.1148 12.1148 k = 0.0000 0.1410 0.3536 ( 3434 PWs) bands (ev): -26.9673 -26.9673 -26.9040 -26.9040 -9.8557 -9.8557 -9.8188 -9.8188 -8.9077 -8.9077 -8.8197 -8.8197 -8.6195 -8.6195 -8.5101 -8.5101 -7.6851 -7.6851 -4.4497 -4.4497 4.0313 4.0313 5.0288 5.0288 5.4615 5.4615 5.7293 5.7293 6.1719 6.1719 6.2939 6.2939 9.5626 9.5626 10.8041 10.8041 11.0631 11.0631 12.1981 12.1981 k = 0.0000 0.1538 0.3536 ( 3432 PWs) bands (ev): -26.9669 -26.9669 -26.9036 -26.9036 -9.8615 -9.8615 -9.8240 -9.8240 -8.9172 -8.9172 -8.8262 -8.8262 -8.6172 -8.6172 -8.5090 -8.5090 -7.6725 -7.6725 -4.4260 -4.4260 4.0257 4.0257 4.9486 4.9486 5.4236 5.4236 5.7304 5.7304 6.1379 6.1379 6.2765 6.2765 9.6468 9.6468 10.8392 10.8392 11.1219 11.1219 12.2844 12.2844 k = 0.0000 0.1667 0.3536 ( 3446 PWs) bands (ev): -26.9666 -26.9666 -26.9031 -26.9031 -9.8678 -9.8678 -9.8294 -9.8294 -8.9267 -8.9267 -8.8330 -8.8330 -8.6148 -8.6148 -8.5079 -8.5079 -7.6593 -7.6593 -4.4010 -4.4010 4.0197 4.0197 4.8665 4.8665 5.3843 5.3843 5.7314 5.7314 6.1030 6.1030 6.2584 6.2584 9.7356 9.7356 10.8758 10.8758 11.1830 11.1830 12.3718 12.3718 k = 0.0000 0.1795 0.3536 ( 3438 PWs) bands (ev): -26.9662 -26.9662 -26.9026 -26.9026 -9.8744 -9.8744 -9.8352 -9.8352 -8.9362 -8.9362 -8.8400 -8.8400 -8.6123 -8.6123 -8.5068 -8.5068 -7.6457 -7.6457 -4.3748 -4.3748 4.0132 4.0132 4.7831 4.7831 5.3439 5.3439 5.7323 5.7323 6.0673 6.0673 6.2396 6.2396 9.8288 9.8288 10.9138 10.9138 11.2458 11.2458 12.4579 12.4579 k = 0.0000 0.1923 0.3536 ( 3438 PWs) bands (ev): -26.9658 -26.9658 -26.9021 -26.9021 -9.8813 -9.8813 -9.8413 -9.8413 -8.9455 -8.9455 -8.8471 -8.8471 -8.6099 -8.6099 -8.5056 -8.5056 -7.6318 -7.6318 -4.3476 -4.3476 4.0062 4.0062 4.6989 4.6989 5.3026 5.3026 5.7332 5.7332 6.0313 6.0313 6.2203 6.2203 9.9262 9.9262 10.9529 10.9529 11.3098 11.3098 12.5394 12.5394 k = 0.0000 0.2051 0.3536 ( 3430 PWs) bands (ev): -26.9654 -26.9654 -26.9015 -26.9015 -9.8886 -9.8886 -9.8477 -9.8477 -8.9547 -8.9547 -8.8543 -8.8543 -8.6074 -8.6074 -8.5044 -8.5044 -7.6178 -7.6178 -4.3195 -4.3195 3.9989 3.9989 4.6144 4.6144 5.2608 5.2608 5.7339 5.7339 5.9953 5.9953 6.2005 6.2005 10.0275 10.0275 10.9928 10.9928 11.3741 11.3741 12.6122 12.6122 k = 0.0000 0.2179 0.3536 ( 3432 PWs) bands (ev): -26.9649 -26.9649 -26.9010 -26.9010 -9.8961 -9.8961 -9.8543 -9.8543 -8.9636 -8.9636 -8.8614 -8.8614 -8.6049 -8.6049 -8.5032 -8.5032 -7.6037 -7.6037 -4.2908 -4.2908 3.9912 3.9912 4.5302 4.5302 5.2189 5.2189 5.7346 5.7346 5.9595 5.9595 6.1805 6.1805 10.1327 10.1327 11.0333 11.0333 11.4384 11.4384 12.6712 12.6712 k = 0.0000 0.2308 0.3536 ( 3434 PWs) bands (ev): -26.9645 -26.9645 -26.9004 -26.9004 -9.9037 -9.9037 -9.8611 -9.8611 -8.9723 -8.9723 -8.8685 -8.8685 -8.6025 -8.6025 -8.5020 -8.5020 -7.5896 -7.5896 -4.2616 -4.2616 3.9832 3.9832 4.4468 4.4468 5.1770 5.1770 5.7352 5.7352 5.9242 5.9242 6.1604 6.1604 10.2415 10.2415 11.0741 11.0741 11.5018 11.5018 12.7126 12.7126 k = 0.0000 0.2436 0.3536 ( 3426 PWs) bands (ev): -26.9641 -26.9641 -26.8999 -26.8999 -9.9116 -9.9116 -9.8680 -9.8680 -8.9806 -8.9806 -8.8754 -8.8754 -8.6001 -8.6001 -8.5007 -8.5007 -7.5756 -7.5756 -4.2320 -4.2320 3.9748 3.9748 4.3645 4.3645 5.1355 5.1355 5.7357 5.7357 5.8896 5.8896 6.1402 6.1402 10.3537 10.3537 11.1150 11.1150 11.5638 11.5638 12.7357 12.7357 k = 0.0000 0.2564 0.3536 ( 3426 PWs) bands (ev): -26.9636 -26.9636 -26.8993 -26.8993 -9.9195 -9.9195 -9.8751 -9.8751 -8.9886 -8.9886 -8.8822 -8.8822 -8.5978 -8.5978 -8.4995 -8.4995 -7.5618 -7.5618 -4.2023 -4.2023 3.9662 3.9662 4.2838 4.2838 5.0946 5.0946 5.7361 5.7361 5.8559 5.8559 6.1201 6.1201 10.4693 10.4693 11.1558 11.1558 11.6238 11.6238 12.7434 12.7434 k = 0.0000 0.2692 0.3536 ( 3424 PWs) bands (ev): -26.9632 -26.9632 -26.8988 -26.8988 -9.9275 -9.9275 -9.8822 -9.8822 -8.9962 -8.9962 -8.8887 -8.8887 -8.5956 -8.5956 -8.4982 -8.4982 -7.5483 -7.5483 -4.1727 -4.1727 3.9573 3.9573 4.2051 4.2051 5.0546 5.0546 5.7365 5.7365 5.8233 5.8233 6.1003 6.1003 10.5880 10.5880 11.1963 11.1963 11.6813 11.6813 12.7404 12.7404 k = 0.0000 0.2821 0.3536 ( 3420 PWs) bands (ev): -26.9628 -26.9628 -26.8982 -26.8982 -9.9355 -9.9355 -9.8892 -9.8892 -9.0034 -9.0034 -8.8950 -8.8950 -8.5934 -8.5934 -8.4970 -8.4970 -7.5351 -7.5351 -4.1433 -4.1433 3.9483 3.9483 4.1288 4.1288 5.0156 5.0156 5.7368 5.7368 5.7920 5.7920 6.0807 6.0807 10.7097 10.7097 11.2363 11.2363 11.7358 11.7358 12.7305 12.7305 k = 0.0000 0.2949 0.3536 ( 3426 PWs) bands (ev): -26.9623 -26.9623 -26.8977 -26.8977 -9.9434 -9.9434 -9.8963 -9.8963 -9.0101 -9.0101 -8.9010 -8.9010 -8.5913 -8.5913 -8.4958 -8.4958 -7.5223 -7.5223 -4.1143 -4.1143 3.9389 3.9389 4.0553 4.0553 4.9778 4.9778 5.7368 5.7368 5.7622 5.7622 6.0617 6.0617 10.8341 10.8341 11.2758 11.2758 11.7866 11.7866 12.7166 12.7166 k = 0.0000 0.3077 0.3536 ( 3418 PWs) bands (ev): -26.9619 -26.9619 -26.8971 -26.8971 -9.9512 -9.9512 -9.9032 -9.9032 -9.0165 -9.0165 -8.9066 -8.9066 -8.5893 -8.5893 -8.4946 -8.4946 -7.5100 -7.5100 -4.0860 -4.0860 3.9286 3.9286 3.9856 3.9856 4.9415 4.9415 5.7316 5.7316 5.7392 5.7392 6.0432 6.0432 10.9609 10.9609 11.3145 11.3145 11.8335 11.8335 12.7005 12.7005 k = 0.0000 0.3205 0.3536 ( 3418 PWs) bands (ev): -26.9615 -26.9615 -26.8966 -26.8966 -9.9588 -9.9588 -9.9099 -9.9099 -9.0224 -9.0224 -8.9119 -8.9119 -8.5874 -8.5874 -8.4934 -8.4934 -7.4982 -7.4982 -4.0584 -4.0584 3.9060 3.9060 3.9315 3.9315 4.9068 4.9068 5.7061 5.7061 5.7379 5.7379 6.0255 6.0255 11.0898 11.0898 11.3526 11.3526 11.8760 11.8760 12.6834 12.6834 k = 0.0000 0.3333 0.3536 ( 3416 PWs) bands (ev): -26.9611 -26.9611 -26.8961 -26.8961 -9.9662 -9.9662 -9.9165 -9.9165 -9.0278 -9.0278 -8.9169 -8.9169 -8.5856 -8.5856 -8.4923 -8.4923 -7.4870 -7.4870 -4.0318 -4.0318 3.8483 3.8483 3.9161 3.9161 4.8739 4.8739 5.6809 5.6809 5.7379 5.7379 6.0085 6.0085 11.2204 11.2204 11.3898 11.3898 11.9139 11.9139 12.6661 12.6661 k = 0.0000 0.3462 0.3536 ( 3428 PWs) bands (ev): -26.9608 -26.9608 -26.8956 -26.8956 -9.9733 -9.9733 -9.9228 -9.9228 -9.0329 -9.0329 -8.9215 -8.9215 -8.5839 -8.5839 -8.4912 -8.4912 -7.4764 -7.4764 -4.0064 -4.0064 3.7886 3.7886 3.9067 3.9067 4.8428 4.8428 5.6574 5.6574 5.7379 5.7379 5.9923 5.9923 11.3516 11.3516 11.4267 11.4267 11.9471 11.9471 12.6492 12.6492 k = 0.0000 0.3590 0.3536 ( 3424 PWs) bands (ev): -26.9604 -26.9604 -26.8952 -26.8952 -9.9801 -9.9801 -9.9287 -9.9287 -9.0375 -9.0375 -8.9257 -8.9257 -8.5823 -8.5823 -8.4902 -8.4902 -7.4665 -7.4665 -3.9822 -3.9822 3.7321 3.7321 3.8982 3.8982 4.8138 4.8138 5.6357 5.6357 5.7379 5.7379 5.9772 5.9772 11.4558 11.4558 11.4904 11.4904 11.9753 11.9753 12.6332 12.6332 k = 0.0000 0.3718 0.3536 ( 3428 PWs) bands (ev): -26.9601 -26.9601 -26.8948 -26.8948 -9.9865 -9.9865 -9.9344 -9.9344 -9.0416 -9.0416 -8.9296 -8.9296 -8.5809 -8.5809 -8.4892 -8.4892 -7.4573 -7.4573 -3.9596 -3.9596 3.6797 3.6797 3.8903 3.8903 4.7870 4.7870 5.6158 5.6158 5.7379 5.7379 5.9631 5.9631 11.4925 11.4925 11.6204 11.6204 11.9987 11.9987 12.6182 12.6182 k = 0.0000 0.3846 0.3536 ( 3422 PWs) bands (ev): -26.9598 -26.9598 -26.8944 -26.8944 -9.9924 -9.9924 -9.9396 -9.9396 -9.0454 -9.0454 -8.9331 -8.9331 -8.5795 -8.5795 -8.4883 -8.4883 -7.4489 -7.4489 -3.9386 -3.9386 3.6316 3.6316 3.8830 3.8830 4.7624 4.7624 5.5977 5.5977 5.7379 5.7379 5.9501 5.9501 11.5251 11.5251 11.7524 11.7524 12.0174 12.0174 12.6046 12.6046 k = 0.0000 0.3974 0.3536 ( 3422 PWs) bands (ev): -26.9595 -26.9595 -26.8940 -26.8940 -9.9978 -9.9978 -9.9444 -9.9444 -9.0487 -9.0487 -8.9362 -8.9362 -8.5783 -8.5783 -8.4875 -8.4875 -7.4413 -7.4413 -3.9193 -3.9193 3.5879 3.5879 3.8762 3.8762 4.7401 4.7401 5.5815 5.5815 5.7379 5.7379 5.9383 5.9383 11.5559 11.5559 11.8828 11.8828 12.0317 12.0317 12.5928 12.5928 k = 0.0000 0.4103 0.3536 ( 3418 PWs) bands (ev): -26.9593 -26.9593 -26.8937 -26.8937 -10.0027 -10.0027 -9.9487 -9.9487 -9.0516 -9.0516 -8.9389 -8.9389 -8.5773 -8.5773 -8.4867 -8.4867 -7.4345 -7.4345 -3.9020 -3.9020 3.5490 3.5490 3.8701 3.8701 4.7203 4.7203 5.5672 5.5672 5.7378 5.7378 5.9277 5.9277 11.5848 11.5848 12.0099 12.0099 12.0420 12.0420 12.5830 12.5830 k = 0.0000 0.4231 0.3536 ( 3418 PWs) bands (ev): -26.9591 -26.9591 -26.8934 -26.8934 -10.0070 -10.0070 -9.9525 -9.9525 -9.0541 -9.0541 -8.9413 -8.9413 -8.5763 -8.5763 -8.4861 -8.4861 -7.4285 -7.4285 -3.8867 -3.8867 3.5149 3.5149 3.8646 3.8646 4.7030 4.7030 5.5548 5.5548 5.7378 5.7378 5.9184 5.9184 11.6114 11.6114 12.0487 12.0487 12.1316 12.1316 12.5759 12.5759 k = 0.0000 0.4359 0.3536 ( 3416 PWs) bands (ev): -26.9589 -26.9589 -26.8932 -26.8932 -10.0108 -10.0108 -9.9558 -9.9558 -9.0562 -9.0562 -8.9433 -8.9433 -8.5755 -8.5755 -8.4855 -8.4855 -7.4234 -7.4234 -3.8736 -3.8736 3.4858 3.4858 3.8599 3.8599 4.6882 4.6882 5.5442 5.5442 5.7377 5.7377 5.9105 5.9105 11.6353 11.6353 12.0525 12.0525 12.2444 12.2444 12.5728 12.5728 k = 0.0000 0.4487 0.3536 ( 3412 PWs) bands (ev): -26.9587 -26.9587 -26.8930 -26.8930 -10.0138 -10.0138 -9.9585 -9.9585 -9.0579 -9.0579 -8.9449 -8.9449 -8.5749 -8.5749 -8.4850 -8.4850 -7.4193 -7.4193 -3.8627 -3.8627 3.4619 3.4619 3.8560 3.8560 4.6761 4.6761 5.5356 5.5356 5.7377 5.7377 5.9040 5.9040 11.6561 11.6561 12.0540 12.0540 12.3427 12.3427 12.5764 12.5764 k = 0.0000 0.4615 0.3536 ( 3420 PWs) bands (ev): -26.9586 -26.9586 -26.8928 -26.8928 -10.0163 -10.0163 -9.9606 -9.9606 -9.0593 -9.0593 -8.9461 -8.9461 -8.5744 -8.5744 -8.4846 -8.4846 -7.4160 -7.4160 -3.8542 -3.8542 3.4432 3.4432 3.8529 3.8529 4.6666 4.6666 5.5289 5.5289 5.7376 5.7376 5.8989 5.8989 11.6732 11.6732 12.0541 12.0541 12.4171 12.4171 12.5919 12.5919 k = 0.0000 0.4744 0.3536 ( 3420 PWs) bands (ev): -26.9585 -26.9585 -26.8927 -26.8927 -10.0180 -10.0180 -9.9622 -9.9622 -9.0602 -9.0602 -8.9470 -8.9470 -8.5740 -8.5740 -8.4844 -8.4844 -7.4137 -7.4137 -3.8480 -3.8480 3.4297 3.4297 3.8506 3.8506 4.6598 4.6598 5.5242 5.5242 5.7376 5.7376 5.8952 5.8952 11.6860 11.6860 12.0534 12.0534 12.4595 12.4595 12.6217 12.6217 k = 0.0000 0.4872 0.3536 ( 3432 PWs) bands (ev): -26.9585 -26.9585 -26.8926 -26.8926 -10.0191 -10.0191 -9.9631 -9.9631 -9.0608 -9.0608 -8.9476 -8.9476 -8.5738 -8.5738 -8.4842 -8.4842 -7.4123 -7.4123 -3.8443 -3.8443 3.4216 3.4216 3.8493 3.8493 4.6557 4.6557 5.5213 5.5213 5.7375 5.7375 5.8930 5.8930 11.6940 11.6940 12.0527 12.0527 12.4770 12.4770 12.6520 12.6520 k = 0.0000 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9584 -26.9584 -26.8926 -26.8926 -10.0194 -10.0194 -9.9634 -9.9634 -9.0610 -9.0610 -8.9478 -8.9478 -8.5737 -8.5737 -8.4842 -8.4842 -7.4118 -7.4118 -3.8431 -3.8431 3.4189 3.4189 3.8488 3.8488 4.6543 4.6543 5.5203 5.5203 5.7375 5.7375 5.8923 5.8923 11.6967 11.6967 12.0524 12.0524 12.4814 12.4814 12.6644 12.6644 k = 0.0000 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9584 -26.9584 -26.8926 -26.8926 -10.0194 -10.0194 -9.9634 -9.9634 -9.0610 -9.0610 -8.9478 -8.9478 -8.5737 -8.5737 -8.4842 -8.4842 -7.4118 -7.4118 -3.8431 -3.8431 3.4189 3.4189 3.8488 3.8488 4.6543 4.6543 5.5203 5.5203 5.7375 5.7375 5.8923 5.8923 11.6967 11.6967 12.0524 12.0524 12.4814 12.4814 12.6644 12.6644 k = 0.0128 0.5000 0.3536 ( 3420 PWs) bands (ev): -26.9584 -26.9584 -26.8926 -26.8926 -10.0192 -10.0192 -9.9632 -9.9632 -9.0609 -9.0609 -8.9478 -8.9478 -8.5740 -8.5740 -8.4844 -8.4844 -7.4123 -7.4123 -3.8440 -3.8440 3.4209 3.4209 3.8497 3.8497 4.6548 4.6548 5.5211 5.5211 5.7378 5.7378 5.8924 5.8924 11.6934 11.6934 12.0510 12.0510 12.4808 12.4808 12.6635 12.6635 k = 0.0256 0.5000 0.3536 ( 3420 PWs) bands (ev): -26.9584 -26.9584 -26.8925 -26.8925 -10.0186 -10.0186 -9.9627 -9.9627 -9.0607 -9.0607 -8.9479 -8.9479 -8.5749 -8.5749 -8.4851 -8.4851 -7.4138 -7.4138 -3.8467 -3.8467 3.4269 3.4269 3.8524 3.8524 4.6560 4.6560 5.5233 5.5233 5.7386 5.7386 5.8927 5.8927 11.6836 11.6836 12.0467 12.0467 12.4790 12.4790 12.6606 12.6606 k = 0.0385 0.5000 0.3536 ( 3416 PWs) bands (ev): -26.9583 -26.9583 -26.8924 -26.8924 -10.0175 -10.0175 -9.9618 -9.9618 -9.0603 -9.0603 -8.9480 -8.9480 -8.5764 -8.5764 -8.4862 -8.4862 -7.4163 -7.4163 -3.8513 -3.8513 3.4368 3.4368 3.8569 3.8569 4.6580 4.6580 5.5269 5.5269 5.7399 5.7399 5.8932 5.8932 11.6676 11.6676 12.0394 12.0394 12.4761 12.4761 12.6558 12.6558 k = 0.0513 0.5000 0.3536 ( 3416 PWs) bands (ev): -26.9582 -26.9582 -26.8923 -26.8923 -10.0161 -10.0161 -9.9606 -9.9606 -9.0598 -9.0598 -8.9483 -8.9483 -8.5784 -8.5784 -8.4877 -8.4877 -7.4198 -7.4198 -3.8575 -3.8575 3.4505 3.4505 3.8632 3.8632 4.6608 4.6608 5.5319 5.5319 5.7417 5.7417 5.8939 5.8939 11.6459 11.6459 12.0289 12.0289 12.4720 12.4720 12.6489 12.6489 k = 0.0641 0.5000 0.3536 ( 3432 PWs) bands (ev): -26.9581 -26.9581 -26.8921 -26.8921 -10.0142 -10.0142 -9.9590 -9.9590 -9.0591 -9.0591 -8.9485 -8.9485 -8.5810 -8.5810 -8.4897 -8.4897 -7.4242 -7.4242 -3.8656 -3.8656 3.4681 3.4681 3.8711 3.8711 4.6643 4.6643 5.5384 5.5384 5.7439 5.7439 5.8948 5.8948 11.6191 11.6191 12.0151 12.0151 12.4667 12.4667 12.6401 12.6401 k = 0.0769 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9579 -26.9579 -26.8919 -26.8919 -10.0120 -10.0120 -9.9572 -9.9572 -9.0583 -9.0583 -8.9488 -8.9488 -8.5842 -8.5842 -8.4921 -8.4921 -7.4296 -7.4296 -3.8752 -3.8752 3.4895 3.4895 3.8808 3.8808 4.6686 4.6686 5.5461 5.5461 5.7467 5.7467 5.8959 5.8959 11.5879 11.5879 11.9975 11.9975 12.4602 12.4602 12.6291 12.6291 k = 0.0897 0.5000 0.3536 ( 3448 PWs) bands (ev): -26.9577 -26.9577 -26.8916 -26.8916 -10.0093 -10.0093 -9.9550 -9.9550 -9.0572 -9.0572 -8.9491 -8.9491 -8.5879 -8.5879 -8.4949 -8.4949 -7.4359 -7.4359 -3.8865 -3.8865 3.5145 3.5145 3.8921 3.8921 4.6736 4.6736 5.5552 5.5552 5.7499 5.7499 5.8972 5.8972 11.5530 11.5530 11.9761 11.9761 12.4526 12.4526 12.6161 12.6161 k = 0.1026 0.5000 0.3536 ( 3448 PWs) bands (ev): -26.9575 -26.9575 -26.8914 -26.8914 -10.0064 -10.0064 -9.9526 -9.9526 -9.0560 -9.0560 -8.9494 -8.9494 -8.5921 -8.5921 -8.4981 -8.4981 -7.4431 -7.4431 -3.8993 -3.8993 3.5430 3.5430 3.9050 3.9050 4.6793 4.6793 5.5655 5.5655 5.7534 5.7534 5.8987 5.8987 11.5150 11.5150 11.9505 11.9505 12.4439 12.4439 12.6011 12.6011 k = 0.1154 0.5000 0.3536 ( 3444 PWs) bands (ev): -26.9572 -26.9572 -26.8910 -26.8910 -10.0031 -10.0031 -9.9499 -9.9499 -9.0545 -9.0545 -8.9497 -8.9497 -8.5968 -8.5968 -8.5017 -8.5017 -7.4511 -7.4511 -3.9136 -3.9136 3.5750 3.5750 3.9193 3.9193 4.6856 4.6856 5.5769 5.5769 5.7573 5.7573 5.9003 5.9003 11.4747 11.4747 11.9206 11.9206 12.4341 12.4341 12.5841 12.5841 k = 0.1282 0.5000 0.3536 ( 3448 PWs) bands (ev): -26.9569 -26.9569 -26.8907 -26.8907 -9.9995 -9.9995 -9.9470 -9.9470 -9.0528 -9.0528 -8.9500 -8.9500 -8.6019 -8.6019 -8.5056 -8.5056 -7.4599 -7.4599 -3.9291 -3.9291 3.6102 3.6102 3.9351 3.9351 4.6924 4.6924 5.5895 5.5895 5.7616 5.7616 5.9020 5.9020 11.4327 11.4327 11.8862 11.8862 12.4232 12.4232 12.5653 12.5653 k = 0.1410 0.5000 0.3536 ( 3440 PWs) bands (ev): -26.9566 -26.9566 -26.8903 -26.8903 -9.9957 -9.9957 -9.9439 -9.9439 -9.0508 -9.0508 -8.9502 -8.9502 -8.6075 -8.6075 -8.5099 -8.5099 -7.4695 -7.4695 -3.9460 -3.9460 3.6486 3.6486 3.9523 3.9523 4.6998 4.6998 5.6030 5.6030 5.7661 5.7661 5.9039 5.9039 11.3895 11.3895 11.8475 11.8475 12.4113 12.4113 12.5449 12.5449 k = 0.1538 0.5000 0.3536 ( 3440 PWs) bands (ev): -26.9563 -26.9563 -26.8899 -26.8899 -9.9916 -9.9916 -9.9407 -9.9407 -9.0485 -9.0485 -8.9503 -8.9503 -8.6135 -8.6135 -8.5145 -8.5145 -7.4797 -7.4797 -3.9639 -3.9639 3.6899 3.6899 3.9707 3.9707 4.7076 4.7076 5.6174 5.6174 5.7708 5.7708 5.9059 5.9059 11.3456 11.3456 11.8045 11.8045 12.3984 12.3984 12.5230 12.5230 k = 0.1667 0.5000 0.3536 ( 3444 PWs) bands (ev): -26.9560 -26.9560 -26.8895 -26.8895 -9.9873 -9.9873 -9.9373 -9.9373 -9.0460 -9.0460 -8.9503 -8.9503 -8.6199 -8.6199 -8.5195 -8.5195 -7.4906 -7.4906 -3.9828 -3.9828 3.7340 3.7340 3.9902 3.9902 4.7158 4.7158 5.6326 5.6326 5.7757 5.7757 5.9080 5.9080 11.3014 11.3014 11.7575 11.7575 12.3847 12.3847 12.4999 12.4999 k = 0.1795 0.5000 0.3536 ( 3440 PWs) bands (ev): -26.9556 -26.9556 -26.8890 -26.8890 -9.9828 -9.9828 -9.9338 -9.9338 -9.0431 -9.0431 -8.9502 -8.9502 -8.6267 -8.6267 -8.5247 -8.5247 -7.5021 -7.5021 -4.0026 -4.0026 3.7805 3.7805 4.0108 4.0108 4.7244 4.7244 5.6485 5.6485 5.7807 5.7807 5.9102 5.9102 11.2573 11.2573 11.7070 11.7070 12.3701 12.3701 12.4759 12.4759 k = 0.1923 0.5000 0.3536 ( 3440 PWs) bands (ev): -26.9552 -26.9552 -26.8886 -26.8886 -9.9782 -9.9782 -9.9303 -9.9303 -9.0398 -9.0398 -8.9498 -8.9498 -8.6338 -8.6338 -8.5303 -8.5303 -7.5141 -7.5141 -4.0231 -4.0231 3.8294 3.8294 4.0324 4.0324 4.7333 4.7333 5.6650 5.6650 5.7857 5.7857 5.9125 5.9125 11.2137 11.2137 11.6533 11.6533 12.3548 12.3548 12.4513 12.4513 k = 0.2051 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9549 -26.9549 -26.8881 -26.8881 -9.9735 -9.9735 -9.9267 -9.9267 -9.0362 -9.0362 -8.9493 -8.9493 -8.6411 -8.6411 -8.5361 -8.5361 -7.5265 -7.5265 -4.0443 -4.0443 3.8804 3.8804 4.0549 4.0549 4.7424 4.7424 5.6819 5.6819 5.7907 5.7907 5.9149 5.9149 11.1708 11.1708 11.5970 11.5970 12.3389 12.3389 12.4262 12.4262 k = 0.2179 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9545 -26.9545 -26.8876 -26.8876 -9.9687 -9.9687 -9.9232 -9.9232 -9.0321 -9.0321 -8.9486 -8.9486 -8.6488 -8.6488 -8.5422 -8.5422 -7.5393 -7.5393 -4.0659 -4.0659 3.9330 3.9330 4.0781 4.0781 4.7516 4.7516 5.6992 5.6992 5.7956 5.7956 5.9172 5.9172 11.1289 11.1289 11.5388 11.5388 12.3224 12.3224 12.4010 12.4010 k = 0.2308 0.5000 0.3536 ( 3432 PWs) bands (ev): -26.9541 -26.9541 -26.8871 -26.8871 -9.9639 -9.9639 -9.9196 -9.9196 -9.0276 -9.0276 -8.9476 -8.9476 -8.6567 -8.6567 -8.5485 -8.5485 -7.5523 -7.5523 -4.0878 -4.0878 3.9871 3.9871 4.1020 4.1020 4.7610 4.7610 5.7166 5.7166 5.8003 5.8003 5.9197 5.9197 11.0882 11.0882 11.4790 11.4790 12.3055 12.3055 12.3758 12.3758 k = 0.2436 0.5000 0.3536 ( 3448 PWs) bands (ev): -26.9537 -26.9537 -26.8866 -26.8866 -9.9592 -9.9592 -9.9162 -9.9162 -9.0227 -9.0227 -8.9463 -8.9463 -8.6648 -8.6648 -8.5552 -8.5552 -7.5656 -7.5656 -4.1100 -4.1100 4.0421 4.0421 4.1267 4.1267 4.7704 4.7704 5.7342 5.7342 5.8048 5.8048 5.9221 5.9221 11.0488 11.0488 11.4184 11.4184 12.2883 12.2883 12.3511 12.3511 k = 0.2564 0.5000 0.3536 ( 3444 PWs) bands (ev): -26.9533 -26.9533 -26.8861 -26.8861 -9.9544 -9.9544 -9.9128 -9.9128 -9.0173 -9.0173 -8.9447 -8.9447 -8.6732 -8.6732 -8.5621 -8.5621 -7.5790 -7.5790 -4.1321 -4.1321 4.0970 4.0970 4.1528 4.1528 4.7798 4.7798 5.7516 5.7516 5.8090 5.8090 5.9245 5.9245 11.0110 11.0110 11.3576 11.3576 12.2710 12.2710 12.3269 12.3269 k = 0.2692 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9529 -26.9529 -26.8856 -26.8856 -9.9497 -9.9497 -9.9095 -9.9095 -9.0115 -9.0115 -8.9427 -8.9427 -8.6817 -8.6817 -8.5692 -8.5692 -7.5925 -7.5925 -4.1542 -4.1542 4.1485 4.1485 4.1833 4.1833 4.7891 4.7891 5.7688 5.7688 5.8128 5.8128 5.9270 5.9270 10.9748 10.9748 11.2969 11.2969 12.2536 12.2536 12.3034 12.3034 k = 0.2821 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9525 -26.9525 -26.8851 -26.8851 -9.9452 -9.9452 -9.9064 -9.9064 -9.0052 -9.0052 -8.9404 -8.9404 -8.6904 -8.6904 -8.5765 -8.5765 -7.6058 -7.6058 -4.1760 -4.1760 4.1872 4.1872 4.2267 4.2267 4.7983 4.7983 5.7856 5.7856 5.8163 5.8163 5.9294 5.9294 10.9403 10.9403 11.2370 11.2370 12.2363 12.2363 12.2808 12.2808 k = 0.2949 0.5000 0.3536 ( 3432 PWs) bands (ev): -26.9521 -26.9521 -26.8846 -26.8846 -9.9408 -9.9408 -9.9035 -9.9035 -8.9984 -8.9984 -8.9377 -8.9377 -8.6992 -8.6992 -8.5841 -8.5841 -7.6191 -7.6191 -4.1975 -4.1975 4.2154 4.2154 4.2805 4.2805 4.8074 4.8074 5.8015 5.8015 5.8196 5.8196 5.9318 5.9318 10.9077 10.9077 11.1784 11.1784 12.2192 12.2192 12.2593 12.2593 k = 0.3077 0.5000 0.3536 ( 3432 PWs) bands (ev): -26.9517 -26.9517 -26.8841 -26.8841 -9.9366 -9.9366 -9.9006 -9.9006 -8.9912 -8.9912 -8.9346 -8.9346 -8.7081 -8.7081 -8.5920 -8.5920 -7.6321 -7.6321 -4.2184 -4.2184 4.2406 4.2406 4.3367 4.3367 4.8161 4.8161 5.8146 5.8146 5.8246 5.8246 5.9341 5.9341 10.8769 10.8769 11.1213 11.1213 12.2025 12.2025 12.2390 12.2390 k = 0.3205 0.5000 0.3536 ( 3432 PWs) bands (ev): -26.9513 -26.9513 -26.8837 -26.8837 -9.9325 -9.9325 -9.8980 -9.8980 -8.9836 -8.9836 -8.9311 -8.9311 -8.7171 -8.7171 -8.6000 -8.6000 -7.6448 -7.6448 -4.2386 -4.2386 4.2645 4.2645 4.3930 4.3930 4.8247 4.8247 5.8200 5.8200 5.8361 5.8361 5.9365 5.9365 10.8481 10.8481 11.0663 11.0663 12.1863 12.1863 12.2199 12.2199 k = 0.3333 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9510 -26.9510 -26.8832 -26.8832 -9.9288 -9.9288 -9.8956 -9.8956 -8.9755 -8.9755 -8.9272 -8.9272 -8.7263 -8.7263 -8.6082 -8.6082 -7.6571 -7.6571 -4.2581 -4.2581 4.2874 4.2874 4.4486 4.4486 4.8329 4.8329 5.8215 5.8215 5.8499 5.8499 5.9388 5.9388 10.8213 10.8213 11.0137 11.0137 12.1707 12.1707 12.2022 12.2022 k = 0.3462 0.5000 0.3536 ( 3432 PWs) bands (ev): -26.9506 -26.9506 -26.8828 -26.8828 -9.9252 -9.9252 -9.8933 -9.8933 -8.9671 -8.9671 -8.9230 -8.9230 -8.7354 -8.7354 -8.6165 -8.6165 -7.6689 -7.6689 -4.2767 -4.2767 4.3093 4.3093 4.5028 4.5028 4.8408 4.8408 5.8219 5.8219 5.8632 5.8632 5.9411 5.9411 10.7965 10.7965 10.9638 10.9638 12.1560 12.1560 12.1859 12.1859 k = 0.3590 0.5000 0.3536 ( 3424 PWs) bands (ev): -26.9503 -26.9503 -26.8824 -26.8824 -9.9220 -9.9220 -9.8912 -9.8912 -8.9584 -8.9584 -8.9183 -8.9183 -8.7447 -8.7447 -8.6250 -8.6250 -7.6801 -7.6801 -4.2943 -4.2943 4.3301 4.3301 4.5552 4.5552 4.8483 4.8483 5.8214 5.8214 5.8757 5.8757 5.9435 5.9435 10.7737 10.7737 10.9169 10.9169 12.1421 12.1421 12.1710 12.1710 k = 0.3718 0.5000 0.3536 ( 3424 PWs) bands (ev): -26.9500 -26.9500 -26.8820 -26.8820 -9.9190 -9.9190 -9.8893 -9.8893 -8.9494 -8.9494 -8.9133 -8.9133 -8.7540 -8.7540 -8.6336 -8.6336 -7.6907 -7.6907 -4.3107 -4.3107 4.3497 4.3497 4.6052 4.6052 4.8555 4.8555 5.8202 5.8202 5.8871 5.8871 5.9459 5.9459 10.7529 10.7529 10.8732 10.8732 12.1293 12.1293 12.1575 12.1575 k = 0.3846 0.5000 0.3536 ( 3432 PWs) bands (ev): -26.9497 -26.9497 -26.8817 -26.8817 -9.9163 -9.9163 -9.8876 -9.8876 -8.9402 -8.9402 -8.9080 -8.9080 -8.7632 -8.7632 -8.6421 -8.6421 -7.7005 -7.7005 -4.3259 -4.3259 4.3680 4.3680 4.6524 4.6524 4.8623 4.8623 5.8184 5.8184 5.8972 5.8972 5.9484 5.9484 10.7341 10.7341 10.8331 10.8331 12.1176 12.1176 12.1455 12.1455 k = 0.3974 0.5000 0.3536 ( 3424 PWs) bands (ev): -26.9495 -26.9495 -26.8813 -26.8813 -9.9139 -9.9139 -9.8861 -9.8861 -8.9309 -8.9309 -8.9024 -8.9024 -8.7725 -8.7725 -8.6505 -8.6505 -7.7095 -7.7095 -4.3398 -4.3398 4.3847 4.3847 4.6961 4.6961 4.8689 4.8689 5.8160 5.8160 5.9061 5.9061 5.9510 5.9510 10.7174 10.7174 10.7966 10.7966 12.1071 12.1071 12.1348 12.1348 k = 0.4103 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9493 -26.9493 -26.8811 -26.8811 -9.9119 -9.9119 -9.8847 -9.8847 -8.9216 -8.9216 -8.8967 -8.8967 -8.7817 -8.7817 -8.6588 -8.6588 -7.7176 -7.7176 -4.3523 -4.3523 4.3999 4.3999 4.7358 4.7358 4.8752 4.8752 5.8132 5.8132 5.9135 5.9135 5.9538 5.9538 10.7027 10.7027 10.7640 10.7640 12.0979 12.0979 12.1255 12.1255 k = 0.4231 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9491 -26.9491 -26.8808 -26.8808 -9.9101 -9.9101 -9.8835 -9.8835 -8.9123 -8.9123 -8.8910 -8.8910 -8.7909 -8.7909 -8.6666 -8.6666 -7.7248 -7.7248 -4.3632 -4.3632 4.4134 4.4134 4.7707 4.7707 4.8816 4.8816 5.8101 5.8101 5.9196 5.9196 5.9567 5.9567 10.6899 10.6899 10.7355 10.7355 12.0898 12.0898 12.1176 12.1176 k = 0.4359 0.5000 0.3536 ( 3440 PWs) bands (ev): -26.9489 -26.9489 -26.8806 -26.8806 -9.9086 -9.9086 -9.8825 -9.8825 -8.9032 -8.9032 -8.8855 -8.8855 -8.7999 -8.7999 -8.6739 -8.6739 -7.7309 -7.7309 -4.3726 -4.3726 4.4250 4.4250 4.8001 4.8001 4.8882 4.8882 5.8070 5.8070 5.9242 5.9242 5.9596 5.9596 10.6792 10.6792 10.7111 10.7111 12.0831 12.0831 12.1110 12.1110 k = 0.4487 0.5000 0.3536 ( 3452 PWs) bands (ev): -26.9487 -26.9487 -26.8804 -26.8804 -9.9074 -9.9074 -9.8817 -9.8817 -8.8943 -8.8943 -8.8804 -8.8804 -8.8086 -8.8086 -8.6805 -8.6805 -7.7360 -7.7360 -4.3804 -4.3804 4.4346 4.4346 4.8233 4.8233 4.8954 4.8954 5.8041 5.8041 5.9278 5.9278 5.9623 5.9623 10.6704 10.6704 10.6910 10.6910 12.0776 12.0776 12.1057 12.1057 k = 0.4615 0.5000 0.3536 ( 3448 PWs) bands (ev): -26.9486 -26.9486 -26.8803 -26.8803 -9.9065 -9.9065 -9.8811 -9.8811 -8.8860 -8.8860 -8.8760 -8.8760 -8.8169 -8.8169 -8.6859 -8.6859 -7.7401 -7.7401 -4.3865 -4.3865 4.4422 4.4422 4.8398 4.8398 4.9029 4.9029 5.8015 5.8015 5.9303 5.9303 5.9647 5.9647 10.6636 10.6636 10.6753 10.6753 12.0733 12.0733 12.1016 12.1016 k = 0.4744 0.5000 0.3536 ( 3448 PWs) bands (ev): -26.9486 -26.9486 -26.8802 -26.8802 -9.9058 -9.9058 -9.8806 -9.8806 -8.8785 -8.8785 -8.8725 -8.8725 -8.8244 -8.8244 -8.6901 -8.6901 -7.7429 -7.7429 -4.3909 -4.3909 4.4477 4.4477 4.8502 4.8502 4.9100 4.9100 5.7995 5.7995 5.9319 5.9319 5.9665 5.9665 10.6586 10.6586 10.6642 10.6642 12.0703 12.0703 12.0987 12.0987 k = 0.4872 0.5000 0.3536 ( 3428 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9054 -9.9054 -9.8803 -9.8803 -8.8730 -8.8730 -8.8700 -8.8700 -8.8301 -8.8301 -8.6927 -8.6927 -7.7447 -7.7447 -4.3935 -4.3935 4.4510 4.4510 4.8558 4.8558 4.9151 4.9151 5.7982 5.7982 5.9329 5.9329 5.9676 5.9676 10.6554 10.6554 10.6578 10.6578 12.0685 12.0685 12.0970 12.0970 k = 0.5000 0.5000 0.3536 ( 3416 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9053 -9.9053 -9.8802 -9.8802 -8.8711 -8.8711 -8.8690 -8.8690 -8.8323 -8.8323 -8.6936 -8.6936 -7.7453 -7.7453 -4.3944 -4.3944 4.4521 4.4521 4.8575 4.8575 4.9170 4.9170 5.7978 5.7978 5.9332 5.9332 5.9680 5.9680 10.6539 10.6539 10.6560 10.6560 12.0679 12.0679 12.0964 12.0964 k = 0.5000 0.5000 0.3536 ( 3416 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9053 -9.9053 -9.8802 -9.8802 -8.8711 -8.8711 -8.8690 -8.8690 -8.8323 -8.8323 -8.6936 -8.6936 -7.7453 -7.7453 -4.3944 -4.3944 4.4521 4.4521 4.8575 4.8575 4.9170 4.9170 5.7978 5.7978 5.9332 5.9332 5.9680 5.9680 10.6539 10.6539 10.6560 10.6560 12.0679 12.0679 12.0964 12.0964 k = 0.4909 0.4909 0.3536 ( 3430 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9054 -9.9054 -9.8803 -9.8803 -8.8731 -8.8731 -8.8700 -8.8700 -8.8300 -8.8300 -8.6927 -8.6927 -7.7447 -7.7447 -4.3935 -4.3935 4.4510 4.4510 4.8558 4.8558 4.9151 4.9151 5.7982 5.7982 5.9329 5.9329 5.9676 5.9676 10.6553 10.6553 10.6579 10.6579 12.0685 12.0685 12.0970 12.0970 k = 0.4818 0.4818 0.3536 ( 3442 PWs) bands (ev): -26.9485 -26.9485 -26.8802 -26.8802 -9.9058 -9.9058 -9.8806 -9.8806 -8.8789 -8.8789 -8.8720 -8.8720 -8.8244 -8.8244 -8.6901 -8.6901 -7.7429 -7.7429 -4.3909 -4.3909 4.4476 4.4476 4.8498 4.8498 4.9105 4.9105 5.7995 5.7995 5.9319 5.9319 5.9666 5.9666 10.6580 10.6580 10.6649 10.6649 12.0703 12.0703 12.0988 12.0988 k = 0.4727 0.4727 0.3536 ( 3446 PWs) bands (ev): -26.9486 -26.9486 -26.8803 -26.8803 -9.9064 -9.9064 -9.8811 -9.8811 -8.8867 -8.8867 -8.8750 -8.8750 -8.8172 -8.8172 -8.6859 -8.6859 -7.7400 -7.7400 -4.3865 -4.3865 4.4422 4.4422 4.8378 4.8378 4.9051 4.9051 5.8015 5.8015 5.9299 5.9299 5.9651 5.9651 10.6621 10.6621 10.6770 10.6770 12.0735 12.0735 12.1018 12.1018 k = 0.4636 0.4636 0.3536 ( 3450 PWs) bands (ev): -26.9487 -26.9487 -26.8804 -26.8804 -9.9073 -9.9073 -9.8817 -9.8817 -8.8955 -8.8955 -8.8787 -8.8787 -8.8092 -8.8092 -8.6804 -8.6804 -7.7360 -7.7360 -4.3805 -4.3805 4.4346 4.4346 4.8183 4.8183 4.9010 4.9010 5.8039 5.8039 5.9267 5.9267 5.9635 5.9635 10.6677 10.6677 10.6940 10.6940 12.0779 12.0779 12.1062 12.1062 k = 0.4545 0.4545 0.3536 ( 3438 PWs) bands (ev): -26.9489 -26.9489 -26.8806 -26.8806 -9.9084 -9.9084 -9.8825 -9.8825 -8.9048 -8.9048 -8.8829 -8.8829 -8.8009 -8.8009 -8.6739 -8.6739 -7.7310 -7.7310 -4.3728 -4.3728 4.4250 4.4250 4.7912 4.7912 4.8988 4.8988 5.8065 5.8065 5.9220 5.9220 5.9624 5.9624 10.6749 10.6749 10.7158 10.7158 12.0839 12.0839 12.1122 12.1122 k = 0.4455 0.4455 0.3536 ( 3430 PWs) bands (ev): -26.9491 -26.9491 -26.8808 -26.8808 -9.9097 -9.9097 -9.8834 -9.8834 -8.9143 -8.9143 -8.8875 -8.8875 -8.7925 -8.7925 -8.6666 -8.6666 -7.7250 -7.7250 -4.3637 -4.3637 4.4136 4.4136 4.7576 4.7576 4.8983 4.8983 5.8092 5.8092 5.9155 5.9155 5.9618 5.9618 10.6835 10.6835 10.7422 10.7422 12.0915 12.0915 12.1197 12.1197 k = 0.4364 0.4364 0.3536 ( 3430 PWs) bands (ev): -26.9493 -26.9493 -26.8811 -26.8811 -9.9112 -9.9112 -9.8845 -9.8845 -8.9237 -8.9237 -8.8922 -8.8922 -8.7841 -8.7841 -8.6589 -8.6589 -7.7180 -7.7180 -4.3532 -4.3532 4.4004 4.4004 4.7187 4.7187 4.8990 4.8990 5.8116 5.8116 5.9073 5.9073 5.9621 5.9621 10.6938 10.6938 10.7732 10.7732 12.1009 12.1009 12.1289 12.1289 k = 0.4273 0.4273 0.3536 ( 3426 PWs) bands (ev): -26.9495 -26.9495 -26.8814 -26.8814 -9.9129 -9.9129 -9.8857 -9.8857 -8.9331 -8.9331 -8.8969 -8.8969 -8.7758 -8.7758 -8.6508 -8.6508 -7.7102 -7.7102 -4.3415 -4.3415 4.3856 4.3856 4.6757 4.6757 4.9007 4.9007 5.8135 5.8135 5.8976 5.8976 5.9630 5.9630 10.7054 10.7054 10.8086 10.8086 12.1120 12.1120 12.1396 12.1396 k = 0.4182 0.4182 0.3536 ( 3430 PWs) bands (ev): -26.9498 -26.9498 -26.8817 -26.8817 -9.9146 -9.9146 -9.8869 -9.8869 -8.9423 -8.9423 -8.9014 -8.9014 -8.7676 -8.7676 -8.6426 -8.6426 -7.7017 -7.7017 -4.3287 -4.3287 4.3695 4.3695 4.6296 4.6296 4.9031 4.9031 5.8148 5.8148 5.8866 5.8866 5.9646 5.9646 10.7186 10.7186 10.8482 10.8482 12.1249 12.1249 12.1520 12.1520 k = 0.4091 0.4091 0.3536 ( 3426 PWs) bands (ev): -26.9501 -26.9501 -26.8821 -26.8821 -9.9165 -9.9165 -9.8882 -9.8882 -8.9512 -8.9512 -8.9057 -8.9057 -8.7595 -8.7595 -8.6344 -8.6344 -7.6926 -7.6926 -4.3150 -4.3150 4.3521 4.3521 4.5812 4.5812 4.9062 4.9062 5.8153 5.8153 5.8747 5.8747 5.9668 5.9668 10.7331 10.7331 10.8917 10.8917 12.1394 12.1394 12.1659 12.1659 k = 0.4000 0.4000 0.3536 ( 3434 PWs) bands (ev): -26.9504 -26.9504 -26.8825 -26.8825 -9.9184 -9.9184 -9.8896 -9.8896 -8.9596 -8.9596 -8.9096 -8.9096 -8.7516 -8.7516 -8.6263 -8.6263 -7.6830 -7.6830 -4.3006 -4.3006 4.3336 4.3336 4.5315 4.5315 4.9099 4.9099 5.8151 5.8151 5.8621 5.8621 5.9695 5.9695 10.7490 10.7490 10.9388 10.9388 12.1553 12.1553 12.1814 12.1814 k = 0.3909 0.3909 0.3536 ( 3430 PWs) bands (ev): -26.9507 -26.9507 -26.8829 -26.8829 -9.9204 -9.9204 -9.8909 -9.8909 -8.9676 -8.9676 -8.9132 -8.9132 -8.7438 -8.7438 -8.6184 -8.6184 -7.6730 -7.6730 -4.2858 -4.2858 4.3143 4.3143 4.4813 4.4813 4.9143 4.9143 5.8140 5.8140 5.8492 5.8492 5.9726 5.9726 10.7661 10.7661 10.9892 10.9892 12.1722 12.1722 12.1985 12.1985 k = 0.3818 0.3818 0.3536 ( 3430 PWs) bands (ev): -26.9511 -26.9511 -26.8834 -26.8834 -9.9223 -9.9223 -9.8922 -9.8922 -8.9751 -8.9751 -8.9164 -8.9164 -8.7362 -8.7362 -8.6108 -8.6108 -7.6628 -7.6628 -4.2706 -4.2706 4.2942 4.2942 4.4313 4.4313 4.9194 4.9194 5.8118 5.8118 5.8364 5.8364 5.9763 5.9763 10.7845 10.7845 11.0423 11.0423 12.1896 12.1896 12.2171 12.2171 k = 0.3727 0.3727 0.3536 ( 3430 PWs) bands (ev): -26.9515 -26.9515 -26.8839 -26.8839 -9.9241 -9.9241 -9.8935 -9.8935 -8.9821 -8.9821 -8.9191 -8.9191 -8.7289 -8.7289 -8.6034 -8.6034 -7.6524 -7.6524 -4.2555 -4.2555 4.2734 4.2734 4.3825 4.3825 4.9251 4.9251 5.8081 5.8081 5.8243 5.8243 5.9805 5.9805 10.8040 10.8040 11.0977 11.0977 12.2072 12.2072 12.2369 12.2369 k = 0.3636 0.3636 0.3536 ( 3436 PWs) bands (ev): -26.9520 -26.9520 -26.8845 -26.8845 -9.9259 -9.9259 -9.8946 -9.8946 -8.9884 -8.9884 -8.9213 -8.9213 -8.7217 -8.7217 -8.5963 -8.5963 -7.6421 -7.6421 -4.2405 -4.2405 4.2521 4.2521 4.3356 4.3356 4.9316 4.9316 5.8015 5.8015 5.8148 5.8148 5.9851 5.9851 10.8245 10.8245 11.1548 11.1548 12.2244 12.2244 12.2576 12.2576 k = 0.3545 0.3545 0.3536 ( 3440 PWs) bands (ev): -26.9524 -26.9524 -26.8850 -26.8850 -9.9275 -9.9275 -9.8956 -9.8956 -8.9940 -8.9940 -8.9231 -8.9231 -8.7148 -8.7148 -8.5896 -8.5896 -7.6319 -7.6319 -4.2259 -4.2259 4.2298 4.2298 4.2919 4.2919 4.9388 4.9388 5.7917 5.7917 5.8084 5.8084 5.9902 5.9902 10.8460 10.8460 11.2128 11.2128 12.2407 12.2407 12.2789 12.2789 k = 0.3455 0.3455 0.3536 ( 3436 PWs) bands (ev): -26.9529 -26.9529 -26.8856 -26.8856 -9.9290 -9.9290 -9.8965 -9.8965 -8.9990 -8.9990 -8.9244 -8.9244 -8.7081 -8.7081 -8.5832 -8.5832 -7.6219 -7.6219 -4.2120 -4.2120 4.2060 4.2060 4.2526 4.2526 4.9468 4.9468 5.7808 5.7808 5.8033 5.8033 5.9958 5.9958 10.8682 10.8682 11.2710 11.2710 12.2553 12.2553 12.3000 12.3000 k = 0.3364 0.3364 0.3536 ( 3448 PWs) bands (ev): -26.9534 -26.9534 -26.8862 -26.8862 -9.9302 -9.9302 -9.8972 -9.8972 -9.0034 -9.0034 -8.9252 -8.9252 -8.7016 -8.7016 -8.5771 -8.5771 -7.6124 -7.6124 -4.1989 -4.1989 4.1797 4.1797 4.2196 4.2196 4.9557 4.9557 5.7702 5.7702 5.7984 5.7984 6.0019 6.0019 10.8912 10.8912 11.3285 11.3285 12.2670 12.2670 12.3203 12.3203 k = 0.3273 0.3273 0.3536 ( 3448 PWs) bands (ev): -26.9539 -26.9539 -26.8869 -26.8869 -9.9312 -9.9312 -9.8976 -9.8976 -9.0070 -9.0070 -8.9255 -8.9255 -8.6954 -8.6954 -8.5714 -8.5714 -7.6035 -7.6035 -4.1870 -4.1870 4.1513 4.1513 4.1930 4.1930 4.9654 4.9654 5.7605 5.7605 5.7934 5.7934 6.0085 6.0085 10.9146 10.9146 11.3842 11.3842 12.2739 12.2739 12.3392 12.3392 k = 0.3182 0.3182 0.3536 ( 3446 PWs) bands (ev): -26.9544 -26.9544 -26.8875 -26.8875 -9.9319 -9.9319 -9.8978 -9.8978 -9.0100 -9.0100 -8.9253 -8.9253 -8.6894 -8.6894 -8.5660 -8.5660 -7.5951 -7.5951 -4.1764 -4.1764 4.1235 4.1235 4.1709 4.1709 4.9760 4.9760 5.7521 5.7521 5.7883 5.7883 6.0157 6.0157 10.9384 10.9384 11.4371 11.4371 12.2733 12.2733 12.3560 12.3560 k = 0.3091 0.3091 0.3536 ( 3438 PWs) bands (ev): -26.9549 -26.9549 -26.8882 -26.8882 -9.9323 -9.9323 -9.8976 -9.8976 -9.0122 -9.0122 -8.9246 -8.9246 -8.6837 -8.6837 -8.5609 -8.5609 -7.5875 -7.5875 -4.1674 -4.1674 4.0985 4.0985 4.1515 4.1515 4.9875 4.9875 5.7451 5.7451 5.7832 5.7832 6.0234 6.0234 10.9622 10.9622 11.4862 11.4862 12.2609 12.2609 12.3701 12.3701 k = 0.3000 0.3000 0.3536 ( 3426 PWs) bands (ev): -26.9555 -26.9555 -26.8889 -26.8889 -9.9324 -9.9324 -9.8972 -9.8972 -9.0138 -9.0138 -8.9234 -8.9234 -8.6783 -8.6783 -8.5561 -8.5561 -7.5807 -7.5807 -4.1601 -4.1601 4.0777 4.0777 4.1341 4.1341 5.0001 5.0001 5.7398 5.7398 5.7780 5.7780 6.0316 6.0316 10.9860 10.9860 11.5302 11.5302 12.2314 12.2314 12.3806 12.3806 k = 0.2909 0.2909 0.3536 ( 3440 PWs) bands (ev): -26.9560 -26.9560 -26.8896 -26.8896 -9.9321 -9.9321 -9.8965 -9.8965 -9.0147 -9.0147 -8.9218 -8.9218 -8.6731 -8.6731 -8.5516 -8.5516 -7.5749 -7.5749 -4.1546 -4.1546 4.0618 4.0618 4.1184 4.1184 5.0136 5.0136 5.7363 5.7363 5.7728 5.7728 6.0404 6.0404 11.0093 11.0093 11.5682 11.5682 12.1794 12.1794 12.3871 12.3871 k = 0.2818 0.2818 0.3536 ( 3440 PWs) bands (ev): -26.9566 -26.9566 -26.8904 -26.8904 -9.9315 -9.9315 -9.8954 -9.8954 -9.0149 -9.0149 -8.9197 -8.9197 -8.6681 -8.6681 -8.5474 -8.5474 -7.5701 -7.5701 -4.1512 -4.1512 4.0510 4.0510 4.1045 4.1045 5.0281 5.0281 5.7348 5.7348 5.7678 5.7678 6.0498 6.0498 11.0320 11.0320 11.5994 11.5994 12.1024 12.1024 12.3891 12.3891 k = 0.2727 0.2727 0.3536 ( 3436 PWs) bands (ev): -26.9572 -26.9572 -26.8911 -26.8911 -9.9304 -9.9304 -9.8939 -9.8939 -9.0145 -9.0145 -8.9172 -8.9172 -8.6634 -8.6634 -8.5435 -8.5435 -7.5664 -7.5664 -4.1499 -4.1499 4.0453 4.0453 4.0927 4.0927 5.0438 5.0438 5.7353 5.7353 5.7630 5.7630 6.0597 6.0597 11.0536 11.0536 11.6229 11.6229 12.0026 12.0026 12.3864 12.3864 k = 0.2636 0.2636 0.3536 ( 3436 PWs) bands (ev): -26.9578 -26.9578 -26.8919 -26.8919 -9.9290 -9.9290 -9.8921 -9.8921 -9.0134 -9.0134 -8.9142 -8.9142 -8.6590 -8.6590 -8.5399 -8.5399 -7.5637 -7.5637 -4.1509 -4.1509 4.0439 4.0439 4.0841 4.0841 5.0604 5.0604 5.7378 5.7378 5.7586 5.7586 6.0701 6.0701 11.0737 11.0737 11.6384 11.6384 11.8853 11.8853 12.3789 12.3789 k = 0.2545 0.2545 0.3536 ( 3436 PWs) bands (ev): -26.9584 -26.9584 -26.8926 -26.8926 -9.9271 -9.9271 -9.8900 -9.8900 -9.0117 -9.0117 -8.9108 -8.9108 -8.6549 -8.6549 -8.5365 -8.5365 -7.5623 -7.5623 -4.1541 -4.1541 4.0441 4.0441 4.0815 4.0815 5.0782 5.0782 5.7416 5.7416 5.7556 5.7556 6.0811 6.0811 11.0920 11.0920 11.6457 11.6457 11.7563 11.7563 12.3668 12.3668 k = 0.2455 0.2455 0.3536 ( 3436 PWs) bands (ev): -26.9590 -26.9590 -26.8934 -26.8934 -9.9249 -9.9249 -9.8874 -9.8874 -9.0094 -9.0094 -8.9070 -8.9070 -8.6510 -8.6510 -8.5334 -8.5334 -7.5620 -7.5620 -4.1595 -4.1595 4.0422 4.0422 4.0888 4.0888 5.0971 5.0971 5.7437 5.7437 5.7569 5.7569 6.0926 6.0926 11.1078 11.1078 11.6187 11.6187 11.6462 11.6462 12.3505 12.3505 k = 0.2364 0.2364 0.3536 ( 3434 PWs) bands (ev): -26.9596 -26.9596 -26.8941 -26.8941 -9.9222 -9.9222 -9.8846 -9.8846 -9.0065 -9.0065 -8.9029 -8.9029 -8.6474 -8.6474 -8.5305 -8.5305 -7.5629 -7.5629 -4.1672 -4.1672 4.0378 4.0378 4.1063 4.1063 5.1171 5.1171 5.7418 5.7418 5.7649 5.7649 6.1045 6.1045 11.1208 11.1208 11.4788 11.4788 11.6372 11.6372 12.3306 12.3306 k = 0.2273 0.2273 0.3536 ( 3438 PWs) bands (ev): -26.9601 -26.9601 -26.8949 -26.8949 -9.9192 -9.9192 -9.8813 -9.8813 -9.0030 -9.0030 -8.8984 -8.8984 -8.6440 -8.6440 -8.5279 -8.5279 -7.5651 -7.5651 -4.1771 -4.1771 4.0328 4.0328 4.1320 4.1320 5.1381 5.1381 5.7387 5.7387 5.7770 5.7770 6.1170 6.1170 11.1303 11.1303 11.3364 11.3364 11.6219 11.6219 12.3078 12.3078 k = 0.2182 0.2182 0.3536 ( 3434 PWs) bands (ev): -26.9607 -26.9607 -26.8956 -26.8956 -9.9158 -9.9158 -9.8778 -9.8778 -8.9989 -8.9989 -8.8936 -8.8936 -8.6409 -8.6409 -8.5254 -8.5254 -7.5684 -7.5684 -4.1891 -4.1891 4.0282 4.0282 4.1648 4.1648 5.1602 5.1602 5.7355 5.7355 5.7919 5.7919 6.1299 6.1299 11.1356 11.1356 11.1936 11.1936 11.6002 11.6002 12.2826 12.2826 k = 0.2091 0.2091 0.3536 ( 3428 PWs) bands (ev): -26.9613 -26.9613 -26.8964 -26.8964 -9.9121 -9.9121 -9.8739 -9.8739 -8.9943 -8.9943 -8.8885 -8.8885 -8.6381 -8.6381 -8.5232 -8.5232 -7.5729 -7.5729 -4.2031 -4.2031 4.0244 4.0244 4.2041 4.2041 5.1834 5.1834 5.7325 5.7325 5.8094 5.8094 6.1433 6.1433 11.0508 11.0508 11.1372 11.1372 11.5727 11.5727 12.2556 12.2556 k = 0.2000 0.2000 0.3536 ( 3424 PWs) bands (ev): -26.9619 -26.9619 -26.8971 -26.8971 -9.9080 -9.9080 -9.8698 -9.8698 -8.9891 -8.9891 -8.8831 -8.8831 -8.6356 -8.6356 -8.5212 -8.5212 -7.5785 -7.5785 -4.2190 -4.2190 4.0215 4.0215 4.2495 4.2495 5.2076 5.2076 5.7298 5.7298 5.8295 5.8295 6.1570 6.1570 10.9101 10.9101 11.1333 11.1333 11.5403 11.5403 12.2275 12.2275 k = 0.1909 0.1909 0.3536 ( 3424 PWs) bands (ev): -26.9625 -26.9625 -26.8978 -26.8978 -9.9037 -9.9037 -9.8654 -9.8654 -8.9834 -8.9834 -8.8775 -8.8775 -8.6333 -8.6333 -8.5195 -8.5195 -7.5851 -7.5851 -4.2365 -4.2365 4.0195 4.0195 4.3006 4.3006 5.2327 5.2327 5.7274 5.7274 5.8519 5.8519 6.1710 6.1710 10.7715 10.7715 11.1243 11.1243 11.5035 11.5035 12.1986 12.1986 k = 0.1818 0.1818 0.3536 ( 3424 PWs) bands (ev): -26.9630 -26.9630 -26.8985 -26.8985 -9.8991 -9.8991 -9.8608 -9.8608 -8.9773 -8.9773 -8.8716 -8.8716 -8.6314 -8.6314 -8.5179 -8.5179 -7.5927 -7.5927 -4.2556 -4.2556 4.0185 4.0185 4.3571 4.3571 5.2586 5.2586 5.7252 5.7252 5.8765 5.8765 6.1853 6.1853 10.6356 10.6356 11.1101 11.1101 11.4630 11.4630 12.1692 12.1692 k = 0.1727 0.1727 0.3536 ( 3424 PWs) bands (ev): -26.9635 -26.9635 -26.8992 -26.8992 -9.8943 -9.8943 -9.8561 -9.8561 -8.9707 -8.9707 -8.8656 -8.8656 -8.6297 -8.6297 -8.5166 -8.5166 -7.6012 -7.6012 -4.2759 -4.2759 4.0183 4.0183 4.4184 4.4184 5.2854 5.2854 5.7234 5.7234 5.9032 5.9032 6.1999 6.1999 10.5028 10.5028 11.0908 11.0908 11.4194 11.4194 12.1399 12.1399 k = 0.1636 0.1636 0.3536 ( 3420 PWs) bands (ev): -26.9641 -26.9641 -26.8999 -26.8999 -9.8892 -9.8892 -9.8512 -9.8512 -8.9636 -8.9636 -8.8595 -8.8595 -8.6283 -8.6283 -8.5154 -8.5154 -7.6106 -7.6106 -4.2972 -4.2972 4.0189 4.0189 4.4842 4.4842 5.3129 5.3129 5.7219 5.7219 5.9318 5.9318 6.2145 6.2145 10.3735 10.3735 11.0667 11.0667 11.3734 11.3734 12.1106 12.1106 k = 0.1545 0.1545 0.3536 ( 3424 PWs) bands (ev): -26.9646 -26.9646 -26.9006 -26.9006 -9.8841 -9.8841 -9.8462 -9.8462 -8.9562 -8.9562 -8.8532 -8.8532 -8.6271 -8.6271 -8.5145 -8.5145 -7.6206 -7.6206 -4.3193 -4.3193 4.0201 4.0201 4.5539 4.5539 5.3409 5.3409 5.7206 5.7206 5.9620 5.9620 6.2293 6.2293 10.2481 10.2481 11.0384 11.0384 11.3255 11.3255 12.0818 12.0818 k = 0.1455 0.1455 0.3536 ( 3430 PWs) bands (ev): -26.9651 -26.9651 -26.9012 -26.9012 -9.8789 -9.8789 -9.8412 -9.8412 -8.9484 -8.9484 -8.8470 -8.8470 -8.6263 -8.6263 -8.5137 -8.5137 -7.6312 -7.6312 -4.3420 -4.3420 4.0220 4.0220 4.6269 4.6269 5.3694 5.3694 5.7196 5.7196 5.9937 5.9937 6.2440 6.2440 10.1270 10.1270 11.0066 11.0066 11.2761 11.2761 12.0535 12.0535 k = 0.1364 0.1364 0.3536 ( 3418 PWs) bands (ev): -26.9655 -26.9655 -26.9018 -26.9018 -9.8736 -9.8736 -9.8363 -9.8363 -8.9403 -8.9403 -8.8407 -8.8407 -8.6257 -8.6257 -8.5132 -8.5132 -7.6422 -7.6422 -4.3650 -4.3650 4.0243 4.0243 4.7025 4.7025 5.3982 5.3982 5.7188 5.7188 6.0266 6.0266 6.2586 6.2586 10.0105 10.0105 10.9720 10.9720 11.2259 11.2259 12.0258 12.0258 k = 0.1273 0.1273 0.3536 ( 3426 PWs) bands (ev): -26.9660 -26.9660 -26.9024 -26.9024 -9.8684 -9.8684 -9.8313 -9.8313 -8.9319 -8.9319 -8.8344 -8.8344 -8.6254 -8.6254 -8.5128 -8.5128 -7.6536 -7.6536 -4.3880 -4.3880 4.0271 4.0271 4.7802 4.7802 5.4270 5.4270 5.7181 5.7181 6.0602 6.0602 6.2730 6.2730 9.8990 9.8990 10.9355 10.9355 11.1753 11.1753 11.9988 11.9988 k = 0.1182 0.1182 0.3536 ( 3426 PWs) bands (ev): -26.9664 -26.9664 -26.9029 -26.9029 -9.8632 -9.8632 -9.8265 -9.8265 -8.9233 -8.9233 -8.8283 -8.8283 -8.6253 -8.6253 -8.5126 -8.5126 -7.6651 -7.6651 -4.4107 -4.4107 4.0301 4.0301 4.8590 4.8590 5.4557 5.4557 5.7177 5.7177 6.0943 6.0943 6.2872 6.2872 9.7928 9.7928 10.8979 10.8979 11.1249 11.1249 11.9725 11.9725 k = 0.1091 0.1091 0.3536 ( 3428 PWs) bands (ev): -26.9668 -26.9668 -26.9034 -26.9034 -9.8581 -9.8581 -9.8218 -9.8218 -8.9146 -8.9146 -8.8224 -8.8224 -8.6255 -8.6255 -8.5126 -8.5126 -7.6767 -7.6767 -4.4330 -4.4330 4.0334 4.0334 4.9383 4.9383 5.4839 5.4839 5.7174 5.7174 6.1284 6.1284 6.3009 6.3009 9.6922 9.6922 10.8600 10.8600 11.0752 11.0752 11.9467 11.9467 k = 0.1000 0.1000 0.3536 ( 3428 PWs) bands (ev): -26.9672 -26.9672 -26.9039 -26.9039 -9.8532 -9.8532 -9.8173 -9.8173 -8.9058 -8.9058 -8.8167 -8.8167 -8.6259 -8.6259 -8.5127 -8.5127 -7.6881 -7.6881 -4.4545 -4.4545 4.0368 4.0368 5.0170 5.0170 5.5116 5.5116 5.7172 5.7172 6.1622 6.1622 6.3142 6.3142 9.5976 9.5976 10.8226 10.8226 11.0266 11.0266 11.9214 11.9214 k = 0.0909 0.0909 0.3536 ( 3428 PWs) bands (ev): -26.9675 -26.9675 -26.9044 -26.9044 -9.8485 -9.8485 -9.8131 -9.8131 -8.8971 -8.8971 -8.8113 -8.8113 -8.6265 -8.6265 -8.5130 -8.5130 -7.6992 -7.6992 -4.4750 -4.4750 4.0402 4.0402 5.0944 5.0944 5.5382 5.5382 5.7171 5.7171 6.1951 6.1951 6.3270 6.3270 9.5095 9.5095 10.7863 10.7863 10.9798 10.9798 11.8963 11.8963 k = 0.0818 0.0818 0.3536 ( 3428 PWs) bands (ev): -26.9679 -26.9679 -26.9048 -26.9048 -9.8441 -9.8441 -9.8091 -9.8091 -8.8884 -8.8884 -8.8062 -8.8062 -8.6272 -8.6272 -8.5134 -8.5134 -7.7099 -7.7099 -4.4944 -4.4944 4.0436 4.0436 5.1694 5.1694 5.5634 5.5634 5.7172 5.7172 6.2267 6.2267 6.3391 6.3391 9.4281 9.4281 10.7517 10.7517 10.9352 10.9352 11.8711 11.8711 k = 0.0727 0.0727 0.3536 ( 3428 PWs) bands (ev): -26.9681 -26.9681 -26.9052 -26.9052 -9.8400 -9.8400 -9.8055 -9.8055 -8.8800 -8.8800 -8.8017 -8.8017 -8.6281 -8.6281 -8.5139 -8.5139 -7.7199 -7.7199 -4.5123 -4.5123 4.0468 4.0468 5.2410 5.2410 5.5867 5.5867 5.7175 5.7175 6.2564 6.2564 6.3506 6.3506 9.3539 9.3539 10.7195 10.7195 10.8935 10.8935 11.8453 11.8453 k = 0.0636 0.0636 0.3536 ( 3436 PWs) bands (ev): -26.9684 -26.9684 -26.9055 -26.9055 -9.8363 -9.8363 -9.8022 -9.8022 -8.8720 -8.8720 -8.7976 -8.7976 -8.6291 -8.6291 -8.5144 -8.5144 -7.7292 -7.7292 -4.5286 -4.5286 4.0498 4.0498 5.3082 5.3082 5.6075 5.6075 5.7181 5.7181 6.2837 6.2837 6.3613 6.3613 9.2872 9.2872 10.6899 10.6899 10.8551 10.8551 11.8185 11.8185 k = 0.0545 0.0545 0.3536 ( 3436 PWs) bands (ev): -26.9686 -26.9686 -26.9058 -26.9058 -9.8330 -9.8330 -9.7993 -9.7993 -8.8646 -8.8646 -8.7941 -8.7941 -8.6301 -8.6301 -8.5150 -8.5150 -7.7375 -7.7375 -4.5431 -4.5431 4.0526 4.0526 5.3700 5.3700 5.6250 5.6250 5.7193 5.7193 6.3079 6.3079 6.3714 6.3714 9.2285 9.2285 10.6636 10.6636 10.8206 10.8206 11.7903 11.7903 k = 0.0455 0.0455 0.3536 ( 3436 PWs) bands (ev): -26.9688 -26.9688 -26.9060 -26.9060 -9.8301 -9.8301 -9.7968 -9.7968 -8.8578 -8.8578 -8.7911 -8.7911 -8.6311 -8.6311 -8.5156 -8.5156 -7.7449 -7.7449 -4.5556 -4.5556 4.0550 4.0550 5.4257 5.4257 5.6384 5.6384 5.7216 5.7216 6.3286 6.3286 6.3809 6.3809 9.1781 9.1781 10.6407 10.6407 10.7904 10.7904 11.7611 11.7611 k = 0.0364 0.0364 0.3536 ( 3420 PWs) bands (ev): -26.9690 -26.9690 -26.9062 -26.9062 -9.8277 -9.8277 -9.7947 -9.7947 -8.8518 -8.8518 -8.7888 -8.7888 -8.6320 -8.6320 -8.5161 -8.5161 -7.7510 -7.7510 -4.5661 -4.5661 4.0571 4.0571 5.4742 5.4742 5.6467 5.6467 5.7250 5.7250 6.3451 6.3451 6.3898 6.3898 9.1363 9.1363 10.6216 10.6216 10.7650 10.7650 11.7321 11.7321 k = 0.0273 0.0273 0.3536 ( 3424 PWs) bands (ev): -26.9691 -26.9691 -26.9064 -26.9064 -9.8258 -9.8258 -9.7931 -9.7931 -8.8469 -8.8469 -8.7871 -8.7871 -8.6328 -8.6328 -8.5165 -8.5165 -7.7559 -7.7559 -4.5743 -4.5743 4.0587 4.0587 5.5151 5.5151 5.6499 5.6499 5.7294 5.7294 6.3573 6.3573 6.3978 6.3978 9.1035 9.1035 10.6065 10.6065 10.7449 10.7449 11.7053 11.7053 k = 0.0182 0.0182 0.3536 ( 3432 PWs) bands (ev): -26.9692 -26.9692 -26.9065 -26.9065 -9.8244 -9.8244 -9.7919 -9.7919 -8.8432 -8.8432 -8.7859 -8.7859 -8.6334 -8.6334 -8.5169 -8.5169 -7.7595 -7.7595 -4.5803 -4.5803 4.0599 4.0599 5.5474 5.5474 5.6486 5.6486 5.7338 5.7338 6.3654 6.3654 6.4044 6.4044 9.0798 9.0798 10.5956 10.5956 10.7302 10.7302 11.6837 11.6837 k = 0.0091 0.0091 0.3536 ( 3432 PWs) bands (ev): -26.9692 -26.9692 -26.9066 -26.9066 -9.8236 -9.8236 -9.7912 -9.7912 -8.8410 -8.8410 -8.7852 -8.7852 -8.6337 -8.6337 -8.5171 -8.5171 -7.7617 -7.7617 -4.5839 -4.5839 4.0606 4.0606 5.5695 5.5695 5.6449 5.6449 5.7370 5.7370 6.3700 6.3700 6.4087 6.4087 9.0655 9.0655 10.5890 10.5890 10.7213 10.7213 11.6696 11.6696 k = 0.0000 0.0000 0.3536 ( 3432 PWs) bands (ev): -26.9692 -26.9692 -26.9066 -26.9066 -9.8233 -9.8233 -9.7909 -9.7909 -8.8402 -8.8402 -8.7850 -8.7850 -8.6339 -8.6339 -8.5172 -8.5172 -7.7624 -7.7624 -4.5851 -4.5851 4.0609 4.0609 5.5778 5.5778 5.6427 5.6427 5.7381 5.7381 6.3715 6.3715 6.4102 6.4102 9.0608 9.0608 10.5868 10.5868 10.7183 10.7183 11.6647 11.6647 k = 0.0000 0.5000-0.0000 ( 3436 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9113 -9.9113 -9.9033 -9.9033 -9.0313 -9.0313 -8.8953 -8.8953 -8.6127 -8.6127 -8.5630 -8.5630 -7.5699 -7.5699 -4.1518 -4.1518 3.6319 3.6319 4.7467 4.7467 5.1157 5.1157 5.3052 5.3052 5.9494 5.9494 6.0659 6.0659 10.8185 10.8185 11.8339 11.8339 12.1732 12.1732 12.3105 12.3105 k = 0.0000 0.5000 0.0126 ( 3436 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9119 -9.9119 -9.9033 -9.9033 -9.0315 -9.0315 -8.8956 -8.8956 -8.6127 -8.6127 -8.5625 -8.5625 -7.5694 -7.5694 -4.1509 -4.1509 3.6312 3.6312 4.7464 4.7464 5.1050 5.1050 5.3123 5.3123 5.9492 5.9492 6.0648 6.0648 10.8200 10.8200 11.8358 11.8358 12.1758 12.1758 12.3079 12.3079 k = 0.0000 0.5000 0.0253 ( 3444 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9136 -9.9136 -9.9031 -9.9031 -9.0318 -9.0318 -8.8962 -8.8962 -8.6126 -8.6126 -8.5612 -8.5612 -7.5679 -7.5679 -4.1482 -4.1482 3.6292 3.6292 4.7455 4.7455 5.0766 5.0766 5.3300 5.3300 5.9486 5.9486 6.0616 6.0616 10.8242 10.8242 11.8415 11.8415 12.1833 12.1833 12.3006 12.3006 k = 0.0000 0.5000 0.0379 ( 3440 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9162 -9.9162 -9.9032 -9.9032 -9.0324 -9.0324 -8.8973 -8.8973 -8.6124 -8.6124 -8.5592 -8.5592 -7.5654 -7.5654 -4.1436 -4.1436 3.6258 3.6258 4.7439 4.7439 5.0366 5.0366 5.3521 5.3521 5.9477 5.9477 6.0562 6.0562 10.8314 10.8314 11.8508 11.8508 12.1955 12.1955 12.2901 12.2901 k = 0.0000 0.5000 0.0505 ( 3436 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9195 -9.9195 -9.9037 -9.9037 -9.0332 -9.0332 -8.8988 -8.8988 -8.6121 -8.6121 -8.5564 -8.5564 -7.5620 -7.5620 -4.1373 -4.1373 3.6212 3.6212 4.7418 4.7418 4.9893 4.9893 5.3749 5.3749 5.9465 5.9465 6.0488 6.0488 10.8415 10.8415 11.8634 11.8634 12.2118 12.2118 12.2780 12.2780 k = 0.0000 0.5000 0.0631 ( 3438 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9233 -9.9233 -9.9046 -9.9046 -9.0343 -9.0343 -8.9006 -8.9006 -8.6115 -8.6115 -8.5531 -8.5531 -7.5577 -7.5577 -4.1293 -4.1293 3.6153 3.6153 4.7390 4.7390 4.9367 4.9367 5.3967 5.3967 5.9449 5.9449 6.0396 6.0396 10.8548 10.8548 11.8790 11.8790 12.2309 12.2309 12.2669 12.2669 k = 0.0000 0.5000 0.0758 ( 3442 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9276 -9.9276 -9.9060 -9.9060 -9.0354 -9.0354 -8.9028 -8.9028 -8.6107 -8.6107 -8.5493 -8.5493 -7.5526 -7.5526 -4.1197 -4.1197 3.6083 3.6083 4.7356 4.7356 4.8803 4.8803 5.4167 5.4167 5.9429 5.9429 6.0285 6.0285 10.8713 10.8713 11.8971 11.8971 12.2439 12.2439 12.2663 12.2663 k = 0.0000 0.5000 0.0884 ( 3438 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9323 -9.9323 -9.9077 -9.9077 -9.0368 -9.0368 -8.9052 -8.9052 -8.6096 -8.6096 -8.5452 -8.5452 -7.5466 -7.5466 -4.1086 -4.1086 3.6003 3.6003 4.7313 4.7313 4.8211 4.8211 5.4346 5.4346 5.9407 5.9407 6.0158 6.0158 10.8911 10.8911 11.9170 11.9170 12.2395 12.2395 12.2879 12.2879 k = 0.0000 0.5000 0.1010 ( 3440 PWs) bands (ev): -26.9588 -26.9588 -26.8928 -26.8928 -9.9373 -9.9373 -9.9099 -9.9099 -9.0382 -9.0382 -8.9078 -8.9078 -8.6083 -8.6083 -8.5408 -8.5408 -7.5400 -7.5400 -4.0962 -4.0962 3.5913 3.5913 4.7242 4.7242 4.7620 4.7620 5.4504 5.4504 5.9382 5.9382 6.0016 6.0016 10.9143 10.9143 11.9380 11.9380 12.2339 12.2339 12.3156 12.3156 k = 0.0000 0.5000 0.1136 ( 3422 PWs) bands (ev): -26.9587 -26.9587 -26.8928 -26.8928 -9.9426 -9.9426 -9.9125 -9.9125 -9.0398 -9.0398 -8.9106 -8.9106 -8.6067 -8.6067 -8.5363 -8.5363 -7.5327 -7.5327 -4.0825 -4.0825 3.5815 3.5815 4.6883 4.6883 4.7294 4.7294 5.4640 5.4640 5.9354 5.9354 5.9863 5.9863 10.9410 10.9410 11.9590 11.9590 12.2318 12.2318 12.3451 12.3451 k = 0.0000 0.5000 0.1263 ( 3430 PWs) bands (ev): -26.9587 -26.9587 -26.8928 -26.8928 -9.9481 -9.9481 -9.9153 -9.9153 -9.0414 -9.0414 -8.9135 -8.9135 -8.6048 -8.6048 -8.5318 -8.5318 -7.5250 -7.5250 -4.0677 -4.0677 3.5710 3.5710 4.6258 4.6258 4.7220 4.7220 5.4757 5.4757 5.9323 5.9323 5.9700 5.9700 10.9712 10.9712 11.9788 11.9788 12.2343 12.2343 12.3752 12.3752 k = 0.0000 0.5000 0.1389 ( 3434 PWs) bands (ev): -26.9587 -26.9587 -26.8928 -26.8928 -9.9538 -9.9538 -9.9185 -9.9185 -9.0431 -9.0431 -8.9165 -8.9165 -8.6028 -8.6028 -8.5273 -8.5273 -7.5167 -7.5167 -4.0521 -4.0521 3.5599 3.5599 4.5607 4.5607 4.7165 4.7165 5.4855 5.4855 5.9289 5.9289 5.9531 5.9531 11.0048 11.0048 11.9965 11.9965 12.2425 12.2425 12.4048 12.4048 k = 0.0000 0.5000 0.1515 ( 3438 PWs) bands (ev): -26.9587 -26.9587 -26.8927 -26.8927 -9.9596 -9.9596 -9.9219 -9.9219 -9.0448 -9.0448 -8.9195 -8.9195 -8.6006 -8.6006 -8.5228 -8.5228 -7.5082 -7.5082 -4.0357 -4.0357 3.5484 3.5484 4.4951 4.4951 4.7111 4.7111 5.4937 5.4937 5.9241 5.9241 5.9369 5.9369 11.0418 11.0418 12.0112 12.0112 12.2568 12.2568 12.4333 12.4333 k = 0.0000 0.5000 0.1641 ( 3444 PWs) bands (ev): -26.9587 -26.9587 -26.8927 -26.8927 -9.9654 -9.9654 -9.9254 -9.9254 -9.0465 -9.0465 -8.9225 -8.9225 -8.5982 -8.5982 -8.5185 -8.5185 -7.4995 -7.4995 -4.0189 -4.0189 3.5366 3.5366 4.4300 4.4300 4.7058 4.7058 5.5004 5.5004 5.9129 5.9129 5.9265 5.9265 11.0819 11.0819 12.0225 12.0225 12.2771 12.2771 12.4598 12.4598 k = 0.0000 0.5000 0.1768 ( 3430 PWs) bands (ev): -26.9586 -26.9586 -26.8927 -26.8927 -9.9711 -9.9711 -9.9291 -9.9291 -9.0481 -9.0481 -8.9254 -8.9254 -8.5958 -8.5958 -8.5143 -8.5143 -7.4906 -7.4906 -4.0016 -4.0016 3.5247 3.5247 4.3659 4.3659 4.7004 4.7004 5.5058 5.5058 5.8960 5.8960 5.9218 5.9218 11.1251 11.1251 12.0308 12.0308 12.3026 12.3026 12.4837 12.4837 k = 0.0000 0.5000 0.1894 ( 3442 PWs) bands (ev): -26.9586 -26.9586 -26.8927 -26.8927 -9.9768 -9.9768 -9.9328 -9.9328 -9.0497 -9.0497 -8.9283 -8.9283 -8.5934 -8.5934 -8.5104 -8.5104 -7.4817 -7.4817 -3.9843 -3.9843 3.5128 3.5128 4.3035 4.3035 4.6952 4.6952 5.5101 5.5101 5.8781 5.8781 5.9181 5.9181 11.1710 11.1710 12.0366 12.0366 12.3323 12.3323 12.5045 12.5045 k = 0.0000 0.5000 0.2020 ( 3446 PWs) bands (ev): -26.9586 -26.9586 -26.8927 -26.8927 -9.9823 -9.9823 -9.9365 -9.9365 -9.0513 -9.0513 -8.9310 -8.9310 -8.5910 -8.5910 -8.5066 -8.5066 -7.4730 -7.4730 -3.9671 -3.9671 3.5011 3.5011 4.2433 4.2433 4.6900 4.6900 5.5134 5.5134 5.8604 5.8604 5.9148 5.9148 11.2192 11.2192 12.0407 12.0407 12.3650 12.3650 12.5215 12.5215 k = 0.0000 0.5000 0.2147 ( 3448 PWs) bands (ev): -26.9586 -26.9586 -26.8927 -26.8927 -9.9876 -9.9876 -9.9402 -9.9402 -9.0527 -9.0527 -8.9335 -8.9335 -8.5886 -8.5886 -8.5031 -8.5031 -7.4645 -7.4645 -3.9503 -3.9503 3.4897 3.4897 4.1859 4.1859 4.6850 4.6850 5.5159 5.5159 5.8431 5.8431 5.9116 5.9116 11.2693 11.2693 12.0435 12.0435 12.3995 12.3995 12.5345 12.5345 k = 0.0000 0.5000 0.2273 ( 3444 PWs) bands (ev): -26.9586 -26.9586 -26.8927 -26.8927 -9.9927 -9.9927 -9.9437 -9.9437 -9.0541 -9.0541 -8.9359 -8.9359 -8.5863 -8.5863 -8.4999 -8.4999 -7.4563 -7.4563 -3.9340 -3.9340 3.4787 3.4787 4.1316 4.1316 4.6802 4.6802 5.5177 5.5177 5.8265 5.8265 5.9085 5.9085 11.3207 11.3207 12.0456 12.0456 12.4348 12.4348 12.5432 12.5432 k = 0.0000 0.5000 0.2399 ( 3436 PWs) bands (ev): -26.9585 -26.9585 -26.8927 -26.8927 -9.9974 -9.9974 -9.9471 -9.9471 -9.0554 -9.0554 -8.9381 -8.9381 -8.5841 -8.5841 -8.4969 -8.4969 -7.4486 -7.4486 -3.9184 -3.9184 3.4683 3.4683 4.0810 4.0810 4.6757 4.6757 5.5190 5.5190 5.8109 5.8109 5.9057 5.9057 11.3729 11.3729 12.0471 12.0471 12.4699 12.4699 12.5476 12.5476 k = 0.0000 0.5000 0.2525 ( 3436 PWs) bands (ev): -26.9585 -26.9585 -26.8927 -26.8927 -10.0018 -10.0018 -9.9503 -9.9503 -9.0565 -9.0565 -8.9401 -8.9401 -8.5821 -8.5821 -8.4943 -8.4943 -7.4414 -7.4414 -3.9039 -3.9039 3.4587 3.4587 4.0345 4.0345 4.6715 4.6715 5.5198 5.5198 5.7964 5.7964 5.9030 5.9030 11.4251 11.4251 12.0483 12.0483 12.5038 12.5038 12.5479 12.5479 k = 0.0000 0.5000 0.2652 ( 3432 PWs) bands (ev): -26.9585 -26.9585 -26.8926 -26.8926 -10.0058 -10.0058 -9.9532 -9.9532 -9.0575 -9.0575 -8.9418 -8.9418 -8.5802 -8.5802 -8.4919 -8.4919 -7.4348 -7.4348 -3.8905 -3.8905 3.4498 3.4498 3.9925 3.9925 4.6676 4.6676 5.5203 5.5203 5.7832 5.7832 5.9006 5.9006 11.4764 11.4764 12.0493 12.0493 12.5324 12.5324 12.5480 12.5480 k = 0.0000 0.5000 0.2778 ( 3426 PWs) bands (ev): -26.9585 -26.9585 -26.8926 -26.8926 -10.0093 -10.0093 -9.9558 -9.9558 -9.0584 -9.0584 -8.9434 -8.9434 -8.5785 -8.5785 -8.4899 -8.4899 -7.4289 -7.4289 -3.8785 -3.8785 3.4420 3.4420 3.9554 3.9554 4.6642 4.6642 5.5205 5.5205 5.7715 5.7715 5.8985 5.8985 11.5257 11.5257 12.0501 12.0501 12.5330 12.5330 12.5700 12.5700 k = 0.0000 0.5000 0.2904 ( 3424 PWs) bands (ev): -26.9585 -26.9585 -26.8926 -26.8926 -10.0123 -10.0123 -9.9580 -9.9580 -9.0592 -9.0592 -8.9447 -8.9447 -8.5771 -8.5771 -8.4881 -8.4881 -7.4238 -7.4238 -3.8680 -3.8680 3.4351 3.4351 3.9234 3.9234 4.6613 4.6613 5.5206 5.5206 5.7614 5.7614 5.8967 5.8967 11.5717 11.5717 12.0508 12.0508 12.5235 12.5235 12.5966 12.5966 k = 0.0000 0.5000 0.3030 ( 3416 PWs) bands (ev): -26.9585 -26.9585 -26.8926 -26.8926 -10.0148 -10.0148 -9.9599 -9.9599 -9.0598 -9.0598 -8.9458 -8.9458 -8.5759 -8.5759 -8.4867 -8.4867 -7.4196 -7.4196 -3.8592 -3.8592 3.4294 3.4294 3.8969 3.8969 4.6588 4.6588 5.5206 5.5206 5.7529 5.7529 5.8951 5.8951 11.6129 11.6129 12.0514 12.0514 12.5121 12.5121 12.6199 12.6199 k = 0.0000 0.5000 0.3157 ( 3416 PWs) bands (ev): -26.9585 -26.9585 -26.8926 -26.8926 -10.0168 -10.0168 -9.9614 -9.9614 -9.0603 -9.0603 -8.9467 -8.9467 -8.5750 -8.5750 -8.4856 -8.4856 -7.4162 -7.4162 -3.8522 -3.8522 3.4249 3.4249 3.8760 3.8760 4.6569 4.6569 5.5205 5.5205 5.7462 5.7462 5.8939 5.8939 11.6476 11.6476 12.0518 12.0518 12.5005 12.5005 12.6389 12.6389 k = 0.0000 0.5000 0.3283 ( 3424 PWs) bands (ev): -26.9584 -26.9584 -26.8926 -26.8926 -10.0183 -10.0183 -9.9625 -9.9625 -9.0607 -9.0607 -8.9473 -8.9473 -8.5743 -8.5743 -8.4848 -8.4848 -7.4138 -7.4138 -3.8472 -3.8472 3.4216 3.4216 3.8610 3.8610 4.6555 4.6555 5.5204 5.5204 5.7414 5.7414 5.8930 5.8930 11.6742 11.6742 12.0521 12.0521 12.4906 12.4906 12.6529 12.6529 k = 0.0000 0.5000 0.3409 ( 3428 PWs) bands (ev): -26.9584 -26.9584 -26.8926 -26.8926 -10.0191 -10.0191 -9.9632 -9.9632 -9.0609 -9.0609 -8.9476 -8.9476 -8.5739 -8.5739 -8.4843 -8.4843 -7.4123 -7.4123 -3.8441 -3.8441 3.4196 3.4196 3.8519 3.8519 4.6546 4.6546 5.5204 5.5204 5.7385 5.7385 5.8925 5.8925 11.6910 11.6910 12.0523 12.0523 12.4838 12.4838 12.6615 12.6615 k = 0.0000 0.5000 0.3536 ( 3436 PWs) bands (ev): -26.9584 -26.9584 -26.8926 -26.8926 -10.0194 -10.0194 -9.9634 -9.9634 -9.0610 -9.0610 -8.9478 -8.9478 -8.5737 -8.5737 -8.4842 -8.4842 -7.4118 -7.4118 -3.8431 -3.8431 3.4189 3.4189 3.8488 3.8488 4.6543 4.6543 5.5203 5.5203 5.7375 5.7375 5.8923 5.8923 11.6967 11.6967 12.0524 12.0524 12.4814 12.4814 12.6644 12.6644 k = 0.5000 0.5000-0.0000 ( 3448 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8851 -9.8851 -9.8578 -9.8578 -8.9011 -8.9011 -8.7205 -8.7205 -8.7160 -8.7160 -8.5822 -8.5822 -8.0923 -8.0923 -4.7444 -4.7444 4.9395 4.9395 4.9831 4.9831 5.5838 5.5838 6.2201 6.2201 6.2327 6.2327 6.3621 6.3621 8.8980 8.8980 8.8982 8.8982 11.9859 11.9859 12.8421 12.8421 k = 0.5000 0.5000 0.0126 ( 3448 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8851 -9.8851 -9.8578 -9.8578 -8.9011 -8.9011 -8.7207 -8.7207 -8.7163 -8.7163 -8.5833 -8.5833 -8.0907 -8.0907 -4.7434 -4.7434 4.9392 4.9392 4.9829 4.9829 5.5796 5.5796 6.2189 6.2189 6.2316 6.2316 6.3602 6.3602 8.9019 8.9019 8.9021 8.9021 11.9886 11.9886 12.8493 12.8493 k = 0.5000 0.5000 0.0253 ( 3448 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8853 -9.8853 -9.8580 -9.8580 -8.9011 -8.9011 -8.7215 -8.7215 -8.7172 -8.7172 -8.5865 -8.5865 -8.0859 -8.0859 -4.7402 -4.7402 4.9385 4.9385 4.9822 4.9822 5.5672 5.5672 6.2154 6.2154 6.2282 6.2282 6.3543 6.3543 8.9137 8.9137 8.9138 8.9138 11.9967 11.9967 12.8709 12.8709 k = 0.5000 0.5000 0.0379 ( 3440 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8856 -9.8856 -9.8583 -9.8583 -8.9010 -8.9010 -8.7229 -8.7229 -8.7186 -8.7186 -8.5916 -8.5916 -8.0781 -8.0781 -4.7348 -4.7348 4.9372 4.9372 4.9812 4.9812 5.5469 5.5469 6.2095 6.2095 6.2227 6.2227 6.3447 6.3447 8.9331 8.9331 8.9333 8.9333 12.0101 12.0101 12.9064 12.9064 k = 0.5000 0.5000 0.0505 ( 3432 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8860 -9.8860 -9.8588 -9.8588 -8.9010 -8.9010 -8.7249 -8.7249 -8.7207 -8.7207 -8.5982 -8.5982 -8.0676 -8.0676 -4.7275 -4.7275 4.9355 4.9355 4.9798 4.9798 5.5189 5.5189 6.2015 6.2015 6.2152 6.2152 6.3314 6.3314 8.9602 8.9602 8.9603 8.9603 12.0285 12.0285 12.9549 12.9549 k = 0.5000 0.5000 0.0631 ( 3432 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8865 -9.8865 -9.8593 -9.8593 -8.9009 -8.9009 -8.7276 -8.7276 -8.7233 -8.7233 -8.6061 -8.6061 -8.0548 -8.0548 -4.7182 -4.7182 4.9334 4.9334 4.9780 4.9780 5.4840 5.4840 6.1916 6.1916 6.2058 6.2058 6.3148 6.3148 8.9945 8.9945 8.9946 8.9946 12.0518 12.0518 13.0155 13.0155 k = 0.5000 0.5000 0.0758 ( 3424 PWs) bands (ev): -26.9488 -26.9488 -26.8803 -26.8803 -9.8871 -9.8871 -9.8600 -9.8600 -8.9007 -8.9007 -8.7310 -8.7310 -8.7264 -8.7264 -8.6146 -8.6146 -8.0401 -8.0401 -4.7071 -4.7071 4.9308 4.9308 4.9758 4.9758 5.4426 5.4426 6.1800 6.1800 6.1947 6.1947 6.2951 6.2951 9.0359 9.0359 9.0359 9.0359 12.0796 12.0796 13.0865 13.0865 k = 0.5000 0.5000 0.0884 ( 3416 PWs) bands (ev): -26.9488 -26.9488 -26.8802 -26.8802 -9.8878 -9.8878 -9.8608 -9.8608 -8.9006 -8.9006 -8.7353 -8.7353 -8.7300 -8.7300 -8.6235 -8.6235 -8.0238 -8.0238 -4.6943 -4.6943 4.9278 4.9278 4.9733 4.9733 5.3957 5.3957 6.1670 6.1670 6.1823 6.1823 6.2727 6.2727 9.0839 9.0839 9.0839 9.0839 12.1116 12.1116 13.1660 13.1660 k = 0.5000 0.5000 0.1010 ( 3416 PWs) bands (ev): -26.9488 -26.9488 -26.8802 -26.8802 -9.8886 -9.8886 -9.8617 -9.8617 -8.9003 -8.9003 -8.7405 -8.7405 -8.7341 -8.7341 -8.6322 -8.6322 -8.0063 -8.0063 -4.6799 -4.6799 4.9244 4.9244 4.9704 4.9704 5.3439 5.3439 6.1528 6.1528 6.1686 6.1686 6.2479 6.2479 9.1383 9.1383 9.1384 9.1384 12.1473 12.1473 13.2518 13.2518 k = 0.5000 0.5000 0.1136 ( 3416 PWs) bands (ev): -26.9487 -26.9487 -26.8802 -26.8802 -9.8894 -9.8894 -9.8627 -9.8627 -8.9000 -8.9000 -8.7466 -8.7466 -8.7385 -8.7385 -8.6406 -8.6406 -7.9879 -7.9879 -4.6642 -4.6642 4.9207 4.9207 4.9673 4.9673 5.2882 5.2882 6.1376 6.1376 6.1538 6.1538 6.2212 6.2212 9.1987 9.1987 9.1988 9.1988 12.1865 12.1865 13.3410 13.3410 k = 0.5000 0.5000 0.1263 ( 3416 PWs) bands (ev): -26.9487 -26.9487 -26.8802 -26.8802 -9.8904 -9.8904 -9.8638 -9.8638 -8.8995 -8.8995 -8.7537 -8.7537 -8.7434 -8.7434 -8.6482 -8.6482 -7.9690 -7.9690 -4.6472 -4.6472 4.9167 4.9167 4.9638 4.9638 5.2295 5.2295 6.1219 6.1219 6.1381 6.1381 6.1933 6.1933 9.2646 9.2646 9.2649 9.2649 12.2286 12.2286 13.4303 13.4303 k = 0.5000 0.5000 0.1389 ( 3416 PWs) bands (ev): -26.9487 -26.9487 -26.8802 -26.8802 -9.8914 -9.8914 -9.8649 -9.8649 -8.8990 -8.8990 -8.7616 -8.7616 -8.7485 -8.7485 -8.6551 -8.6551 -7.9498 -7.9498 -4.6293 -4.6293 4.9125 4.9125 4.9599 4.9599 5.1687 5.1687 6.1057 6.1057 6.1214 6.1214 6.1647 6.1647 9.3358 9.3358 9.3361 9.3361 12.2733 12.2733 13.5164 13.5164 k = 0.5000 0.5000 0.1515 ( 3416 PWs) bands (ev): -26.9487 -26.9487 -26.8802 -26.8802 -9.8924 -9.8924 -9.8661 -9.8661 -8.8983 -8.8983 -8.7702 -8.7702 -8.7539 -8.7539 -8.6611 -8.6611 -7.9305 -7.9305 -4.6106 -4.6106 4.9081 4.9081 4.9556 4.9556 5.1068 5.1068 6.0895 6.0895 6.1031 6.1031 6.1369 6.1369 9.4117 9.4117 9.4121 9.4121 12.3202 12.3202 13.5962 13.5962 k = 0.5000 0.5000 0.1641 ( 3408 PWs) bands (ev): -26.9487 -26.9487 -26.8802 -26.8802 -9.8935 -9.8935 -9.8673 -9.8673 -8.8975 -8.8975 -8.7793 -8.7793 -8.7596 -8.7596 -8.6662 -8.6662 -7.9114 -7.9114 -4.5913 -4.5913 4.9036 4.9036 4.9503 4.9503 5.0452 5.0452 6.0733 6.0733 6.0816 6.0816 6.1118 6.1118 9.4920 9.4920 9.4925 9.4925 12.3688 12.3688 13.5687 13.5687 k = 0.5000 0.5000 0.1768 ( 3404 PWs) bands (ev): -26.9486 -26.9486 -26.8802 -26.8802 -9.8946 -9.8946 -9.8686 -9.8686 -8.8965 -8.8965 -8.7887 -8.7887 -8.7654 -8.7654 -8.6707 -8.6707 -7.8927 -7.8927 -4.5718 -4.5718 4.8990 4.8990 4.9406 4.9406 4.9881 4.9881 6.0561 6.0561 6.0574 6.0574 6.0909 6.0909 9.5762 9.5762 9.5768 9.5768 12.4189 12.4189 13.4403 13.4403 k = 0.5000 0.5000 0.1894 ( 3424 PWs) bands (ev): -26.9486 -26.9486 -26.8802 -26.8802 -9.8958 -9.8958 -9.8698 -9.8698 -8.8953 -8.8953 -8.7981 -8.7981 -8.7714 -8.7714 -8.6745 -8.6745 -7.8746 -7.8746 -4.5522 -4.5522 4.8944 4.8944 4.9067 4.9067 4.9562 4.9562 6.0281 6.0281 6.0419 6.0419 6.0735 6.0735 9.6639 9.6639 9.6646 9.6646 12.4699 12.4699 13.3118 13.3118 k = 0.5000 0.5000 0.2020 ( 3416 PWs) bands (ev): -26.9486 -26.9486 -26.8801 -26.8801 -9.8969 -9.8969 -9.8711 -9.8711 -8.8940 -8.8940 -8.8074 -8.8074 -8.7774 -8.7774 -8.6778 -8.6778 -7.8572 -7.8572 -4.5328 -4.5328 4.8516 4.8516 4.8899 4.8899 4.9472 4.9472 5.9993 5.9993 6.0271 6.0271 6.0581 6.0581 9.7544 9.7544 9.7552 9.7552 12.5217 12.5217 13.1836 13.1836 k = 0.5000 0.5000 0.2147 ( 3416 PWs) bands (ev): -26.9486 -26.9486 -26.8801 -26.8801 -9.8980 -9.8980 -9.8723 -9.8723 -8.8925 -8.8925 -8.8164 -8.8164 -8.7835 -8.7835 -8.6807 -8.6807 -7.8406 -7.8406 -4.5138 -4.5138 4.7952 4.7952 4.8854 4.8854 4.9420 4.9420 5.9710 5.9710 6.0130 6.0130 6.0441 6.0441 9.8474 9.8474 9.8482 9.8482 12.5739 12.5739 13.0562 13.0562 k = 0.5000 0.5000 0.2273 ( 3432 PWs) bands (ev): -26.9486 -26.9486 -26.8801 -26.8801 -9.8991 -9.8991 -9.8735 -9.8735 -8.8908 -8.8908 -8.8249 -8.8249 -8.7896 -8.7896 -8.6832 -8.6832 -7.8251 -7.8251 -4.4955 -4.4955 4.7408 4.7408 4.8811 4.8811 4.9378 4.9378 5.9437 5.9437 5.9998 5.9998 6.0313 6.0313 9.9421 9.9421 9.9429 9.9429 12.6262 12.6262 12.9302 12.9302 k = 0.5000 0.5000 0.2399 ( 3444 PWs) bands (ev): -26.9486 -26.9486 -26.8801 -26.8801 -9.9002 -9.9002 -9.8747 -9.8747 -8.8888 -8.8888 -8.8329 -8.8329 -8.7956 -8.7956 -8.6853 -8.6853 -7.8106 -7.8106 -4.4781 -4.4781 4.6896 4.6896 4.8771 4.8771 4.9340 4.9340 5.9180 5.9180 5.9877 5.9877 6.0196 6.0196 10.0377 10.0377 10.0385 10.0385 12.6781 12.6781 12.8063 12.8063 k = 0.5000 0.5000 0.2525 ( 3428 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9012 -9.9012 -9.8757 -9.8757 -8.8867 -8.8867 -8.8402 -8.8402 -8.8014 -8.8014 -8.6871 -8.6871 -7.7974 -7.7974 -4.4618 -4.4618 4.6424 4.6424 4.8733 4.8733 4.9306 4.9306 5.8942 5.8942 5.9766 5.9766 6.0090 6.0090 10.1333 10.1333 10.1341 10.1341 12.6854 12.6854 12.7101 12.7101 k = 0.5000 0.5000 0.2652 ( 3428 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9021 -9.9021 -9.8767 -9.8767 -8.8845 -8.8845 -8.8467 -8.8467 -8.8071 -8.8071 -8.6887 -8.6887 -7.7856 -7.7856 -4.4469 -4.4469 4.5995 4.5995 4.8698 4.8698 4.9276 4.9276 5.8726 5.8726 5.9666 5.9666 5.9995 5.9995 10.2278 10.2278 10.2284 10.2284 12.5687 12.5687 12.5951 12.5951 k = 0.5000 0.5000 0.2778 ( 3432 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9029 -9.9029 -9.8776 -9.8776 -8.8821 -8.8821 -8.8525 -8.8525 -8.8126 -8.8126 -8.6900 -8.6900 -7.7751 -7.7751 -4.4336 -4.4336 4.5615 4.5615 4.8667 4.8667 4.9248 4.9248 5.8533 5.8533 5.9579 5.9579 5.9912 5.9912 10.3196 10.3196 10.3199 10.3199 12.4576 12.4576 12.4842 12.4842 k = 0.5000 0.5000 0.2904 ( 3444 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9036 -9.9036 -9.8784 -9.8784 -8.8796 -8.8796 -8.8575 -8.8575 -8.8177 -8.8177 -8.6912 -8.6912 -7.7661 -7.7661 -4.4220 -4.4220 4.5287 4.5287 4.8639 4.8639 4.9225 4.9225 5.8367 5.8367 5.9504 5.9504 5.9842 5.9842 10.4066 10.4066 10.4066 10.4066 12.3543 12.3543 12.3811 12.3811 k = 0.5000 0.5000 0.3030 ( 3444 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9042 -9.9042 -9.8791 -9.8791 -8.8771 -8.8771 -8.8616 -8.8616 -8.8223 -8.8223 -8.6921 -8.6921 -7.7587 -7.7587 -4.4122 -4.4122 4.5015 4.5015 4.8617 4.8617 4.9205 4.9205 5.8229 5.8229 5.9443 5.9443 5.9784 5.9784 10.4858 10.4858 10.4863 10.4863 12.2613 12.2613 12.2884 12.2884 k = 0.5000 0.5000 0.3157 ( 3444 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9047 -9.9047 -9.8796 -9.8796 -8.8748 -8.8748 -8.8648 -8.8648 -8.8263 -8.8263 -8.6928 -8.6928 -7.7528 -7.7528 -4.4045 -4.4045 4.4800 4.4800 4.8599 4.8599 4.9190 4.9190 5.8120 5.8120 5.9394 5.9394 5.9739 5.9739 10.5542 10.5542 10.5552 10.5552 12.1820 12.1820 12.2096 12.2096 k = 0.5000 0.5000 0.3283 ( 3444 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9050 -9.9050 -9.8799 -9.8799 -8.8729 -8.8729 -8.8671 -8.8671 -8.8295 -8.8295 -8.6932 -8.6932 -7.7486 -7.7486 -4.3989 -4.3989 4.4645 4.4645 4.8586 4.8586 4.9179 4.9179 5.8041 5.8041 5.9360 5.9360 5.9706 5.9706 10.6077 10.6077 10.6092 10.6092 12.1206 12.1206 12.1487 12.1487 k = 0.5000 0.5000 0.3409 ( 3428 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9052 -9.9052 -9.8802 -9.8802 -8.8715 -8.8715 -8.8685 -8.8685 -8.8316 -8.8316 -8.6935 -8.6935 -7.7461 -7.7461 -4.3955 -4.3955 4.4552 4.4552 4.8578 4.8578 4.9172 4.9172 5.7994 5.7994 5.9339 5.9339 5.9687 5.9687 10.6420 10.6420 10.6439 10.6439 12.0814 12.0814 12.1098 12.1098 k = 0.5000 0.5000 0.3536 ( 3416 PWs) bands (ev): -26.9485 -26.9485 -26.8801 -26.8801 -9.9053 -9.9053 -9.8802 -9.8802 -8.8711 -8.8711 -8.8690 -8.8690 -8.8323 -8.8323 -8.6936 -8.6936 -7.7453 -7.7453 -4.3944 -4.3944 4.4521 4.4521 4.8575 4.8575 4.9170 4.9170 5.7978 5.7978 5.9332 5.9332 5.9680 5.9680 10.6539 10.6539 10.6560 10.6560 12.0679 12.0679 12.0964 12.0964 Writing output data file Sr2SO.save init_run : 3.74s CPU 14.05s WALL ( 1 calls) electrons : 426.34s CPU 432.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.41s CPU 1.65s WALL ( 1 calls) Called by electrons: c_bands : 426.22s CPU 431.98s WALL ( 1 calls) v_of_rho : 0.13s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.59s WALL ( 1 calls) newd : 0.50s CPU 0.68s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 359 calls) cegterg : 390.64s CPU 393.73s WALL ( 830 calls) Called by sum_band: Called by *egterg: h_psi : 161.77s CPU 169.15s WALL ( 14777 calls) s_psi : 21.25s CPU 21.89s WALL ( 14777 calls) g_psi : 0.46s CPU 0.52s WALL ( 13588 calls) cdiaghg : 148.41s CPU 145.82s WALL ( 13947 calls) cegterg:over : 34.47s CPU 30.92s WALL ( 13588 calls) cegterg:upda : 5.56s CPU 9.04s WALL ( 13588 calls) cegterg:last : 5.45s CPU 6.35s WALL ( 2257 calls) Called by h_psi: h_psi:vloc : 120.78s CPU 126.94s WALL ( 14777 calls) h_psi:vnl : 40.78s CPU 41.53s WALL ( 14777 calls) add_vuspsi : 12.65s CPU 16.69s WALL ( 14777 calls) General routines calbec : 28.07s CPU 24.76s WALL ( 14777 calls) fft : 0.48s CPU 1.31s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 112.66s CPU 118.71s WALL ( 1033448 calls) interpolate : 0.01s CPU 0.10s WALL ( 4 calls) davcio : 0.08s CPU 1.55s WALL ( 718 calls) Parallel routines fft_scatter : 77.46s CPU 82.44s WALL ( 1033471 calls) PWSCF : 7m59.17s CPU 9m19.76s WALL This run was terminated on: 23:31:54 7Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=