Program PWSCF v.5.1.1 starts on 26Jun2015 at 11:45:52 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: ./InN.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized 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 20 11 3 848 337 55 Max 21 12 4 855 352 62 Sum 1003 547 163 40807 16539 2803 bravais-lattice index = 14 lattice parameter (alat) = 6.6972 a.u. unit-cell volume = 420.0714 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.697189 celldm(2)= 1.000000 celldm(3)= 1.614786 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.614786 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.619277 ) PseudoPot. # 1 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8073928 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8073928 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8073928 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8073928 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8073928 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8073928 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0096154 0.0055514 -0.0000000), wk = 0.0026525 k( 3) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0026525 k( 4) = ( 0.0288462 0.0166543 -0.0000000), wk = 0.0026525 k( 5) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0026525 k( 6) = ( 0.0480769 0.0277572 -0.0000000), wk = 0.0026525 k( 7) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0026525 k( 8) = ( 0.0673077 0.0388601 -0.0000000), wk = 0.0026525 k( 9) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0026525 k( 10) = ( 0.0865385 0.0499630 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0026525 k( 12) = ( 0.1057692 0.0610659 -0.0000000), wk = 0.0026525 k( 13) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0026525 k( 14) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0026525 k( 15) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0026525 k( 16) = ( 0.1442308 0.0832717 -0.0000000), wk = 0.0026525 k( 17) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0026525 k( 18) = ( 0.1634615 0.0943746 -0.0000000), wk = 0.0026525 k( 19) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0026525 k( 20) = ( 0.1826923 0.1054775 -0.0000000), wk = 0.0026525 k( 21) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0026525 k( 22) = ( 0.2019231 0.1165803 -0.0000000), wk = 0.0026525 k( 23) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0026525 k( 24) = ( 0.2211539 0.1276832 -0.0000000), wk = 0.0026525 k( 25) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0026525 k( 26) = ( 0.2403846 0.1387861 -0.0000000), wk = 0.0026525 k( 27) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026525 k( 28) = ( 0.2596154 0.1498890 -0.0000000), wk = 0.0026525 k( 29) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0026525 k( 30) = ( 0.2788462 0.1609919 -0.0000000), wk = 0.0026525 k( 31) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0026525 k( 32) = ( 0.2980769 0.1720948 -0.0000000), wk = 0.0026525 k( 33) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0026525 k( 34) = ( 0.3173077 0.1831977 -0.0000000), wk = 0.0026525 k( 35) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0026525 k( 36) = ( 0.3365385 0.1943006 -0.0000000), wk = 0.0026525 k( 37) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0026525 k( 38) = ( 0.3557692 0.2054035 -0.0000000), wk = 0.0026525 k( 39) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0026525 k( 40) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0026525 k( 41) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0026525 k( 42) = ( 0.3942308 0.2276092 -0.0000000), wk = 0.0026525 k( 43) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0026525 k( 44) = ( 0.4134615 0.2387121 -0.0000000), wk = 0.0026525 k( 45) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0026525 k( 46) = ( 0.4326923 0.2498150 -0.0000000), wk = 0.0026525 k( 47) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0026525 k( 48) = ( 0.4519231 0.2609179 -0.0000000), wk = 0.0026525 k( 49) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0026525 k( 50) = ( 0.4711538 0.2720208 -0.0000000), wk = 0.0026525 k( 51) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0026525 k( 52) = ( 0.4903846 0.2831237 -0.0000000), wk = 0.0026525 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026525 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026525 k( 55) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0026525 k( 56) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0026525 k( 57) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0026525 k( 58) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0026525 k( 59) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0026525 k( 60) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0026525 k( 61) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0026525 k( 62) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0026525 k( 63) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0026525 k( 64) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026525 k( 65) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0026525 k( 66) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0026525 k( 67) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0026525 k( 68) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0026525 k( 69) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026525 k( 70) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0026525 k( 71) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0026525 k( 72) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0026525 k( 73) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0026525 k( 74) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026525 k( 75) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0026525 k( 76) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0026525 k( 77) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0026525 k( 78) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0026525 k( 79) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0026525 k( 80) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0026525 k( 81) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0026525 k( 82) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0026525 k( 83) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0026525 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026525 k( 85) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026525 k( 86) = ( 0.3277778 0.5677278 -0.0000000), wk = 0.0026525 k( 87) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0026525 k( 88) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0026525 k( 89) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0026525 k( 90) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0026525 k( 91) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0026525 k( 92) = ( 0.2944444 0.5099927 -0.0000000), wk = 0.0026525 k( 93) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0026525 k( 94) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0026525 k( 95) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0026525 k( 96) = ( 0.2722222 0.4715027 -0.0000000), wk = 0.0026525 k( 97) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0026525 k( 98) = ( 0.2611111 0.4522577 -0.0000000), wk = 0.0026525 k( 99) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0026525 k( 100) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0026525 k( 101) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0026525 k( 102) = ( 0.2388889 0.4137677 -0.0000000), wk = 0.0026525 k( 103) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0026525 k( 104) = ( 0.2277778 0.3945227 -0.0000000), wk = 0.0026525 k( 105) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0026525 k( 106) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0026525 k( 107) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0026525 k( 108) = ( 0.2055556 0.3560327 -0.0000000), wk = 0.0026525 k( 109) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0026525 k( 110) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0026525 k( 111) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0026525 k( 112) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0026525 k( 113) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0026525 k( 114) = ( 0.1722222 0.2982976 -0.0000000), wk = 0.0026525 k( 115) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026525 k( 116) = ( 0.1611111 0.2790526 -0.0000000), wk = 0.0026525 k( 117) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0026525 k( 118) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0026525 k( 119) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0026525 k( 120) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0026525 k( 121) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0026525 k( 122) = ( 0.1277778 0.2213176 -0.0000000), wk = 0.0026525 k( 123) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0026525 k( 124) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0026525 k( 125) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0026525 k( 126) = ( 0.1055556 0.1828276 -0.0000000), wk = 0.0026525 k( 127) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0026525 k( 128) = ( 0.0944444 0.1635826 -0.0000000), wk = 0.0026525 k( 129) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0026525 k( 130) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0026525 k( 131) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0026525 k( 132) = ( 0.0722222 0.1250926 -0.0000000), wk = 0.0026525 k( 133) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0026525 k( 134) = ( 0.0611111 0.1058475 -0.0000000), wk = 0.0026525 k( 135) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0026525 k( 136) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0026525 k( 137) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0026525 k( 138) = ( 0.0388889 0.0673575 -0.0000000), wk = 0.0026525 k( 139) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0026525 k( 140) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0026525 k( 141) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0026525 k( 142) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0026525 k( 143) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0026525 k( 144) = ( 0.0055556 0.0096225 -0.0000000), wk = 0.0026525 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 147) = ( 0.0000000 0.0000000 0.0110585), wk = 0.0026525 k( 148) = ( 0.0000000 0.0000000 0.0221170), wk = 0.0026525 k( 149) = ( 0.0000000 0.0000000 0.0331756), wk = 0.0026525 k( 150) = ( 0.0000000 0.0000000 0.0442341), wk = 0.0026525 k( 151) = ( 0.0000000 0.0000000 0.0552926), wk = 0.0026525 k( 152) = ( 0.0000000 0.0000000 0.0663511), wk = 0.0026525 k( 153) = ( 0.0000000 0.0000000 0.0774097), wk = 0.0026525 k( 154) = ( 0.0000000 0.0000000 0.0884682), wk = 0.0026525 k( 155) = ( 0.0000000 0.0000000 0.0995267), wk = 0.0026525 k( 156) = ( 0.0000000 0.0000000 0.1105852), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.1216437), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.1327023), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.1437608), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.1548193), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.1658778), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.1769364), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.1879949), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.1990534), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.2101119), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.2211705), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.2322290), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.2432875), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.2543460), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.2654045), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.2764631), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.2875216), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.2985801), wk = 0.0026525 k( 174) = ( 0.0000000 0.0000000 0.3096386), wk = 0.0026525 k( 175) = ( 0.0000000 0.0000000 0.3096386), wk = 0.0026525 k( 176) = ( 0.0096154 0.0055514 0.3096386), wk = 0.0026525 k( 177) = ( 0.0192308 0.0111029 0.3096386), wk = 0.0026525 k( 178) = ( 0.0288462 0.0166543 0.3096386), wk = 0.0026525 k( 179) = ( 0.0384615 0.0222058 0.3096386), wk = 0.0026525 k( 180) = ( 0.0480769 0.0277572 0.3096386), wk = 0.0026525 k( 181) = ( 0.0576923 0.0333087 0.3096386), wk = 0.0026525 k( 182) = ( 0.0673077 0.0388601 0.3096386), wk = 0.0026525 k( 183) = ( 0.0769231 0.0444116 0.3096386), wk = 0.0026525 k( 184) = ( 0.0865385 0.0499630 0.3096386), wk = 0.0026525 k( 185) = ( 0.0961538 0.0555145 0.3096386), wk = 0.0026525 k( 186) = ( 0.1057692 0.0610659 0.3096386), wk = 0.0026525 k( 187) = ( 0.1153846 0.0666173 0.3096386), wk = 0.0026525 k( 188) = ( 0.1250000 0.0721688 0.3096386), wk = 0.0026525 k( 189) = ( 0.1346154 0.0777202 0.3096386), wk = 0.0026525 k( 190) = ( 0.1442308 0.0832717 0.3096386), wk = 0.0026525 k( 191) = ( 0.1538461 0.0888231 0.3096386), wk = 0.0026525 k( 192) = ( 0.1634615 0.0943746 0.3096386), wk = 0.0026525 k( 193) = ( 0.1730769 0.0999260 0.3096386), wk = 0.0026525 k( 194) = ( 0.1826923 0.1054775 0.3096386), wk = 0.0026525 k( 195) = ( 0.1923077 0.1110289 0.3096386), wk = 0.0026525 k( 196) = ( 0.2019231 0.1165803 0.3096386), wk = 0.0026525 k( 197) = ( 0.2115385 0.1221318 0.3096386), wk = 0.0026525 k( 198) = ( 0.2211539 0.1276832 0.3096386), wk = 0.0026525 k( 199) = ( 0.2307692 0.1332347 0.3096386), wk = 0.0026525 k( 200) = ( 0.2403846 0.1387861 0.3096386), wk = 0.0026525 k( 201) = ( 0.2500000 0.1443376 0.3096386), wk = 0.0026525 k( 202) = ( 0.2596154 0.1498890 0.3096386), wk = 0.0026525 k( 203) = ( 0.2692308 0.1554405 0.3096386), wk = 0.0026525 k( 204) = ( 0.2788462 0.1609919 0.3096386), wk = 0.0026525 k( 205) = ( 0.2884615 0.1665433 0.3096386), wk = 0.0026525 k( 206) = ( 0.2980769 0.1720948 0.3096386), wk = 0.0026525 k( 207) = ( 0.3076923 0.1776462 0.3096386), wk = 0.0026525 k( 208) = ( 0.3173077 0.1831977 0.3096386), wk = 0.0026525 k( 209) = ( 0.3269231 0.1887491 0.3096386), wk = 0.0026525 k( 210) = ( 0.3365385 0.1943006 0.3096386), wk = 0.0026525 k( 211) = ( 0.3461538 0.1998520 0.3096386), wk = 0.0026525 k( 212) = ( 0.3557692 0.2054035 0.3096386), wk = 0.0026525 k( 213) = ( 0.3653846 0.2109549 0.3096386), wk = 0.0026525 k( 214) = ( 0.3750000 0.2165064 0.3096386), wk = 0.0026525 k( 215) = ( 0.3846154 0.2220578 0.3096386), wk = 0.0026525 k( 216) = ( 0.3942308 0.2276092 0.3096386), wk = 0.0026525 k( 217) = ( 0.4038462 0.2331607 0.3096386), wk = 0.0026525 k( 218) = ( 0.4134615 0.2387121 0.3096386), wk = 0.0026525 k( 219) = ( 0.4230769 0.2442636 0.3096386), wk = 0.0026525 k( 220) = ( 0.4326923 0.2498150 0.3096386), wk = 0.0026525 k( 221) = ( 0.4423077 0.2553665 0.3096386), wk = 0.0026525 k( 222) = ( 0.4519231 0.2609179 0.3096386), wk = 0.0026525 k( 223) = ( 0.4615385 0.2664694 0.3096386), wk = 0.0026525 k( 224) = ( 0.4711538 0.2720208 0.3096386), wk = 0.0026525 k( 225) = ( 0.4807692 0.2775722 0.3096386), wk = 0.0026525 k( 226) = ( 0.4903846 0.2831237 0.3096386), wk = 0.0026525 k( 227) = ( 0.5000000 0.2886751 0.3096386), wk = 0.0026525 k( 228) = ( 0.5000000 0.2886751 0.3096386), wk = 0.0026525 k( 229) = ( 0.4944444 0.2982976 0.3096386), wk = 0.0026525 k( 230) = ( 0.4888889 0.3079201 0.3096386), wk = 0.0026525 k( 231) = ( 0.4833333 0.3175426 0.3096386), wk = 0.0026525 k( 232) = ( 0.4777778 0.3271651 0.3096386), wk = 0.0026525 k( 233) = ( 0.4722222 0.3367877 0.3096386), wk = 0.0026525 k( 234) = ( 0.4666667 0.3464102 0.3096386), wk = 0.0026525 k( 235) = ( 0.4611111 0.3560327 0.3096386), wk = 0.0026525 k( 236) = ( 0.4555556 0.3656552 0.3096386), wk = 0.0026525 k( 237) = ( 0.4500000 0.3752777 0.3096386), wk = 0.0026525 k( 238) = ( 0.4444444 0.3849002 0.3096386), wk = 0.0026525 k( 239) = ( 0.4388889 0.3945227 0.3096386), wk = 0.0026525 k( 240) = ( 0.4333333 0.4041452 0.3096386), wk = 0.0026525 k( 241) = ( 0.4277778 0.4137677 0.3096386), wk = 0.0026525 k( 242) = ( 0.4222222 0.4233902 0.3096386), wk = 0.0026525 k( 243) = ( 0.4166667 0.4330127 0.3096386), wk = 0.0026525 k( 244) = ( 0.4111111 0.4426352 0.3096386), wk = 0.0026525 k( 245) = ( 0.4055556 0.4522577 0.3096386), wk = 0.0026525 k( 246) = ( 0.4000000 0.4618802 0.3096386), wk = 0.0026525 k( 247) = ( 0.3944444 0.4715027 0.3096386), wk = 0.0026525 k( 248) = ( 0.3888889 0.4811252 0.3096386), wk = 0.0026525 k( 249) = ( 0.3833333 0.4907477 0.3096386), wk = 0.0026525 k( 250) = ( 0.3777778 0.5003702 0.3096386), wk = 0.0026525 k( 251) = ( 0.3722222 0.5099927 0.3096386), wk = 0.0026525 k( 252) = ( 0.3666667 0.5196152 0.3096386), wk = 0.0026525 k( 253) = ( 0.3611111 0.5292377 0.3096386), wk = 0.0026525 k( 254) = ( 0.3555556 0.5388603 0.3096386), wk = 0.0026525 k( 255) = ( 0.3500000 0.5484828 0.3096386), wk = 0.0026525 k( 256) = ( 0.3444444 0.5581053 0.3096386), wk = 0.0026525 k( 257) = ( 0.3388889 0.5677278 0.3096386), wk = 0.0026525 k( 258) = ( 0.3333333 0.5773503 0.3096386), wk = 0.0026525 k( 259) = ( 0.3333333 0.5773503 0.3096386), wk = 0.0026525 k( 260) = ( 0.3277778 0.5677278 0.3096386), wk = 0.0026525 k( 261) = ( 0.3222222 0.5581053 0.3096386), wk = 0.0026525 k( 262) = ( 0.3166667 0.5484828 0.3096386), wk = 0.0026525 k( 263) = ( 0.3111111 0.5388602 0.3096386), wk = 0.0026525 k( 264) = ( 0.3055556 0.5292378 0.3096386), wk = 0.0026525 k( 265) = ( 0.3000000 0.5196152 0.3096386), wk = 0.0026525 k( 266) = ( 0.2944444 0.5099927 0.3096386), wk = 0.0026525 k( 267) = ( 0.2888889 0.5003702 0.3096386), wk = 0.0026525 k( 268) = ( 0.2833333 0.4907477 0.3096386), wk = 0.0026525 k( 269) = ( 0.2777778 0.4811252 0.3096386), wk = 0.0026525 k( 270) = ( 0.2722222 0.4715027 0.3096386), wk = 0.0026525 k( 271) = ( 0.2666667 0.4618802 0.3096386), wk = 0.0026525 k( 272) = ( 0.2611111 0.4522577 0.3096386), wk = 0.0026525 k( 273) = ( 0.2555556 0.4426352 0.3096386), wk = 0.0026525 k( 274) = ( 0.2500000 0.4330127 0.3096386), wk = 0.0026525 k( 275) = ( 0.2444444 0.4233902 0.3096386), wk = 0.0026525 k( 276) = ( 0.2388889 0.4137677 0.3096386), wk = 0.0026525 k( 277) = ( 0.2333333 0.4041452 0.3096386), wk = 0.0026525 k( 278) = ( 0.2277778 0.3945227 0.3096386), wk = 0.0026525 k( 279) = ( 0.2222222 0.3849002 0.3096386), wk = 0.0026525 k( 280) = ( 0.2166667 0.3752777 0.3096386), wk = 0.0026525 k( 281) = ( 0.2111111 0.3656552 0.3096386), wk = 0.0026525 k( 282) = ( 0.2055556 0.3560327 0.3096386), wk = 0.0026525 k( 283) = ( 0.2000000 0.3464102 0.3096386), wk = 0.0026525 k( 284) = ( 0.1944444 0.3367876 0.3096386), wk = 0.0026525 k( 285) = ( 0.1888889 0.3271652 0.3096386), wk = 0.0026525 k( 286) = ( 0.1833333 0.3175426 0.3096386), wk = 0.0026525 k( 287) = ( 0.1777778 0.3079201 0.3096386), wk = 0.0026525 k( 288) = ( 0.1722222 0.2982976 0.3096386), wk = 0.0026525 k( 289) = ( 0.1666667 0.2886751 0.3096386), wk = 0.0026525 k( 290) = ( 0.1611111 0.2790526 0.3096386), wk = 0.0026525 k( 291) = ( 0.1555556 0.2694301 0.3096386), wk = 0.0026525 k( 292) = ( 0.1500000 0.2598076 0.3096386), wk = 0.0026525 k( 293) = ( 0.1444444 0.2501851 0.3096386), wk = 0.0026525 k( 294) = ( 0.1388889 0.2405626 0.3096386), wk = 0.0026525 k( 295) = ( 0.1333333 0.2309401 0.3096386), wk = 0.0026525 k( 296) = ( 0.1277778 0.2213176 0.3096386), wk = 0.0026525 k( 297) = ( 0.1222222 0.2116951 0.3096386), wk = 0.0026525 k( 298) = ( 0.1166667 0.2020726 0.3096386), wk = 0.0026525 k( 299) = ( 0.1111111 0.1924501 0.3096386), wk = 0.0026525 k( 300) = ( 0.1055556 0.1828276 0.3096386), wk = 0.0026525 k( 301) = ( 0.1000000 0.1732051 0.3096386), wk = 0.0026525 k( 302) = ( 0.0944444 0.1635826 0.3096386), wk = 0.0026525 k( 303) = ( 0.0888889 0.1539601 0.3096386), wk = 0.0026525 k( 304) = ( 0.0833333 0.1443376 0.3096386), wk = 0.0026525 k( 305) = ( 0.0777778 0.1347151 0.3096386), wk = 0.0026525 k( 306) = ( 0.0722222 0.1250926 0.3096386), wk = 0.0026525 k( 307) = ( 0.0666667 0.1154701 0.3096386), wk = 0.0026525 k( 308) = ( 0.0611111 0.1058475 0.3096386), wk = 0.0026525 k( 309) = ( 0.0555556 0.0962251 0.3096386), wk = 0.0026525 k( 310) = ( 0.0500000 0.0866025 0.3096386), wk = 0.0026525 k( 311) = ( 0.0444444 0.0769800 0.3096386), wk = 0.0026525 k( 312) = ( 0.0388889 0.0673575 0.3096386), wk = 0.0026525 k( 313) = ( 0.0333333 0.0577350 0.3096386), wk = 0.0026525 k( 314) = ( 0.0277778 0.0481125 0.3096386), wk = 0.0026525 k( 315) = ( 0.0222222 0.0384900 0.3096386), wk = 0.0026525 k( 316) = ( 0.0166667 0.0288675 0.3096386), wk = 0.0026525 k( 317) = ( 0.0111111 0.0192450 0.3096386), wk = 0.0026525 k( 318) = ( 0.0055556 0.0096225 0.3096386), wk = 0.0026525 k( 319) = ( 0.0000000 0.0000000 0.3096386), wk = 0.0026525 k( 320) = ( 0.5000000 0.2886751 0.3096386), wk = 0.0026525 k( 321) = ( 0.5000000 0.2886751 0.2985801), wk = 0.0026525 k( 322) = ( 0.5000000 0.2886751 0.2875216), wk = 0.0026525 k( 323) = ( 0.5000000 0.2886751 0.2764631), wk = 0.0026525 k( 324) = ( 0.5000000 0.2886751 0.2654045), wk = 0.0026525 k( 325) = ( 0.5000000 0.2886751 0.2543460), wk = 0.0026525 k( 326) = ( 0.5000000 0.2886751 0.2432875), wk = 0.0026525 k( 327) = ( 0.5000000 0.2886751 0.2322290), wk = 0.0026525 k( 328) = ( 0.5000000 0.2886751 0.2211705), wk = 0.0026525 k( 329) = ( 0.5000000 0.2886751 0.2101119), wk = 0.0026525 k( 330) = ( 0.5000000 0.2886751 0.1990534), wk = 0.0026525 k( 331) = ( 0.5000000 0.2886751 0.1879949), wk = 0.0026525 k( 332) = ( 0.5000000 0.2886751 0.1769364), wk = 0.0026525 k( 333) = ( 0.5000000 0.2886751 0.1658778), wk = 0.0026525 k( 334) = ( 0.5000000 0.2886751 0.1548193), wk = 0.0026525 k( 335) = ( 0.5000000 0.2886751 0.1437608), wk = 0.0026525 k( 336) = ( 0.5000000 0.2886751 0.1327023), wk = 0.0026525 k( 337) = ( 0.5000000 0.2886751 0.1216437), wk = 0.0026525 k( 338) = ( 0.5000000 0.2886751 0.1105852), wk = 0.0026525 k( 339) = ( 0.5000000 0.2886751 0.0995267), wk = 0.0026525 k( 340) = ( 0.5000000 0.2886751 0.0884682), wk = 0.0026525 k( 341) = ( 0.5000000 0.2886751 0.0774097), wk = 0.0026525 k( 342) = ( 0.5000000 0.2886751 0.0663511), wk = 0.0026525 k( 343) = ( 0.5000000 0.2886751 0.0552926), wk = 0.0026525 k( 344) = ( 0.5000000 0.2886751 0.0442341), wk = 0.0026525 k( 345) = ( 0.5000000 0.2886751 0.0331756), wk = 0.0026525 k( 346) = ( 0.5000000 0.2886751 0.0221170), wk = 0.0026525 k( 347) = ( 0.5000000 0.2886751 0.0110585), wk = 0.0026525 k( 348) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026525 k( 349) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026525 k( 350) = ( 0.3333333 0.5773503 0.0110585), wk = 0.0026525 k( 351) = ( 0.3333333 0.5773503 0.0221170), wk = 0.0026525 k( 352) = ( 0.3333333 0.5773503 0.0331756), wk = 0.0026525 k( 353) = ( 0.3333333 0.5773503 0.0442341), wk = 0.0026525 k( 354) = ( 0.3333333 0.5773503 0.0552926), wk = 0.0026525 k( 355) = ( 0.3333333 0.5773503 0.0663511), wk = 0.0026525 k( 356) = ( 0.3333333 0.5773503 0.0774097), wk = 0.0026525 k( 357) = ( 0.3333333 0.5773503 0.0884682), wk = 0.0026525 k( 358) = ( 0.3333333 0.5773503 0.0995267), wk = 0.0026525 k( 359) = ( 0.3333333 0.5773503 0.1105852), wk = 0.0026525 k( 360) = ( 0.3333333 0.5773503 0.1216437), wk = 0.0026525 k( 361) = ( 0.3333333 0.5773503 0.1327023), wk = 0.0026525 k( 362) = ( 0.3333333 0.5773503 0.1437608), wk = 0.0026525 k( 363) = ( 0.3333333 0.5773503 0.1548193), wk = 0.0026525 k( 364) = ( 0.3333333 0.5773503 0.1658778), wk = 0.0026525 k( 365) = ( 0.3333333 0.5773503 0.1769364), wk = 0.0026525 k( 366) = ( 0.3333333 0.5773503 0.1879949), wk = 0.0026525 k( 367) = ( 0.3333333 0.5773503 0.1990534), wk = 0.0026525 k( 368) = ( 0.3333333 0.5773503 0.2101119), wk = 0.0026525 k( 369) = ( 0.3333333 0.5773503 0.2211705), wk = 0.0026525 k( 370) = ( 0.3333333 0.5773503 0.2322290), wk = 0.0026525 k( 371) = ( 0.3333333 0.5773503 0.2432875), wk = 0.0026525 k( 372) = ( 0.3333333 0.5773503 0.2543460), wk = 0.0026525 k( 373) = ( 0.3333333 0.5773503 0.2654045), wk = 0.0026525 k( 374) = ( 0.3333333 0.5773503 0.2764631), wk = 0.0026525 k( 375) = ( 0.3333333 0.5773503 0.2875216), wk = 0.0026525 k( 376) = ( 0.3333333 0.5773503 0.2985801), wk = 0.0026525 k( 377) = ( 0.3333333 0.5773503 0.3096386), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0096154 0.0000000 0.0000000), wk = 0.0026525 k( 3) = ( 0.0192308 -0.0000000 0.0000000), wk = 0.0026525 k( 4) = ( 0.0288462 -0.0000000 0.0000000), wk = 0.0026525 k( 5) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0026525 k( 6) = ( 0.0480769 -0.0000000 0.0000000), wk = 0.0026525 k( 7) = ( 0.0576923 -0.0000000 0.0000000), wk = 0.0026525 k( 8) = ( 0.0673077 0.0000000 0.0000000), wk = 0.0026525 k( 9) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0026525 k( 10) = ( 0.0865385 -0.0000000 0.0000000), wk = 0.0026525 k( 11) = ( 0.0961538 -0.0000000 0.0000000), wk = 0.0026525 k( 12) = ( 0.1057692 -0.0000000 0.0000000), wk = 0.0026525 k( 13) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0026525 k( 14) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0026525 k( 15) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0026525 k( 16) = ( 0.1442308 0.0000000 0.0000000), wk = 0.0026525 k( 17) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0026525 k( 18) = ( 0.1634615 -0.0000000 0.0000000), wk = 0.0026525 k( 19) = ( 0.1730769 -0.0000000 0.0000000), wk = 0.0026525 k( 20) = ( 0.1826923 0.0000000 0.0000000), wk = 0.0026525 k( 21) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0026525 k( 22) = ( 0.2019231 -0.0000000 0.0000000), wk = 0.0026525 k( 23) = ( 0.2115385 -0.0000000 0.0000000), wk = 0.0026525 k( 24) = ( 0.2211539 -0.0000000 0.0000000), wk = 0.0026525 k( 25) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0026525 k( 26) = ( 0.2403846 0.0000000 0.0000000), wk = 0.0026525 k( 27) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0026525 k( 28) = ( 0.2596154 0.0000000 0.0000000), wk = 0.0026525 k( 29) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0026525 k( 30) = ( 0.2788462 0.0000000 0.0000000), wk = 0.0026525 k( 31) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0026525 k( 32) = ( 0.2980769 0.0000000 0.0000000), wk = 0.0026525 k( 33) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0026525 k( 34) = ( 0.3173077 -0.0000000 0.0000000), wk = 0.0026525 k( 35) = ( 0.3269231 -0.0000000 0.0000000), wk = 0.0026525 k( 36) = ( 0.3365385 -0.0000000 0.0000000), wk = 0.0026525 k( 37) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0026525 k( 38) = ( 0.3557692 0.0000000 -0.0000000), wk = 0.0026525 k( 39) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0026525 k( 40) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0026525 k( 41) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0026525 k( 42) = ( 0.3942308 -0.0000000 0.0000000), wk = 0.0026525 k( 43) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0026525 k( 44) = ( 0.4134615 0.0000000 0.0000000), wk = 0.0026525 k( 45) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0026525 k( 46) = ( 0.4326923 -0.0000000 0.0000000), wk = 0.0026525 k( 47) = ( 0.4423077 -0.0000000 0.0000000), wk = 0.0026525 k( 48) = ( 0.4519231 0.0000000 0.0000000), wk = 0.0026525 k( 49) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0026525 k( 50) = ( 0.4711538 0.0000000 0.0000000), wk = 0.0026525 k( 51) = ( 0.4807692 -0.0000000 0.0000000), wk = 0.0026525 k( 52) = ( 0.4903846 -0.0000000 0.0000000), wk = 0.0026525 k( 53) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0026525 k( 54) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0026525 k( 55) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0026525 k( 56) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0026525 k( 57) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0026525 k( 58) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0026525 k( 59) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0026525 k( 60) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0026525 k( 61) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0026525 k( 62) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0026525 k( 63) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0026525 k( 64) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0026525 k( 65) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0026525 k( 66) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0026525 k( 67) = ( 0.4277778 0.1444444 0.0000000), wk = 0.0026525 k( 68) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0026525 k( 69) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0026525 k( 70) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0026525 k( 71) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0026525 k( 72) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0026525 k( 73) = ( 0.3944444 0.2111111 -0.0000000), wk = 0.0026525 k( 74) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0026525 k( 75) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0026525 k( 76) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0026525 k( 77) = ( 0.3722222 0.2555556 0.0000000), wk = 0.0026525 k( 78) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0026525 k( 79) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0026525 k( 80) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0026525 k( 81) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0026525 k( 82) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0026525 k( 83) = ( 0.3388889 0.3222222 -0.0000000), wk = 0.0026525 k( 84) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026525 k( 85) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026525 k( 86) = ( 0.3277778 0.3277778 0.0000000), wk = 0.0026525 k( 87) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0026525 k( 88) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0026525 k( 89) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0026525 k( 90) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0026525 k( 91) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0026525 k( 92) = ( 0.2944444 0.2944444 0.0000000), wk = 0.0026525 k( 93) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0026525 k( 94) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0026525 k( 95) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0026525 k( 96) = ( 0.2722222 0.2722222 0.0000000), wk = 0.0026525 k( 97) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0026525 k( 98) = ( 0.2611111 0.2611111 0.0000000), wk = 0.0026525 k( 99) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0026525 k( 100) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026525 k( 101) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0026525 k( 102) = ( 0.2388889 0.2388889 0.0000000), wk = 0.0026525 k( 103) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0026525 k( 104) = ( 0.2277778 0.2277778 0.0000000), wk = 0.0026525 k( 105) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0026525 k( 106) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0026525 k( 107) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0026525 k( 108) = ( 0.2055556 0.2055556 0.0000000), wk = 0.0026525 k( 109) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0026525 k( 110) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0026525 k( 111) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0026525 k( 112) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0026525 k( 113) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0026525 k( 114) = ( 0.1722222 0.1722222 0.0000000), wk = 0.0026525 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026525 k( 116) = ( 0.1611111 0.1611111 0.0000000), wk = 0.0026525 k( 117) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0026525 k( 118) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0026525 k( 119) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0026525 k( 120) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0026525 k( 121) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0026525 k( 122) = ( 0.1277778 0.1277778 0.0000000), wk = 0.0026525 k( 123) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0026525 k( 124) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0026525 k( 125) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0026525 k( 126) = ( 0.1055556 0.1055556 0.0000000), wk = 0.0026525 k( 127) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0026525 k( 128) = ( 0.0944444 0.0944444 0.0000000), wk = 0.0026525 k( 129) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0026525 k( 130) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0026525 k( 131) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0026525 k( 132) = ( 0.0722222 0.0722222 0.0000000), wk = 0.0026525 k( 133) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0026525 k( 134) = ( 0.0611111 0.0611111 0.0000000), wk = 0.0026525 k( 135) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0026525 k( 136) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0026525 k( 137) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0026525 k( 138) = ( 0.0388889 0.0388889 0.0000000), wk = 0.0026525 k( 139) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0026525 k( 140) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0026525 k( 141) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0026525 k( 142) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0026525 k( 143) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0026525 k( 144) = ( 0.0055556 0.0055556 0.0000000), wk = 0.0026525 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 147) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0026525 k( 148) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0026525 k( 149) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0026525 k( 150) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0026525 k( 151) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0026525 k( 152) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0026525 k( 153) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026525 k( 154) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0026525 k( 155) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0026525 k( 156) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0026525 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 176) = ( 0.0096154 0.0000000 0.5000000), wk = 0.0026525 k( 177) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0026525 k( 178) = ( 0.0288462 -0.0000000 0.5000000), wk = 0.0026525 k( 179) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0026525 k( 180) = ( 0.0480769 -0.0000000 0.5000000), wk = 0.0026525 k( 181) = ( 0.0576923 -0.0000000 0.5000000), wk = 0.0026525 k( 182) = ( 0.0673077 0.0000000 0.5000000), wk = 0.0026525 k( 183) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0026525 k( 184) = ( 0.0865385 -0.0000000 0.5000000), wk = 0.0026525 k( 185) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0026525 k( 186) = ( 0.1057692 -0.0000000 0.5000000), wk = 0.0026525 k( 187) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0026525 k( 188) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0026525 k( 189) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0026525 k( 190) = ( 0.1442308 0.0000000 0.5000000), wk = 0.0026525 k( 191) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0026525 k( 192) = ( 0.1634615 -0.0000000 0.5000000), wk = 0.0026525 k( 193) = ( 0.1730769 -0.0000000 0.5000000), wk = 0.0026525 k( 194) = ( 0.1826923 0.0000000 0.5000000), wk = 0.0026525 k( 195) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0026525 k( 196) = ( 0.2019231 -0.0000000 0.5000000), wk = 0.0026525 k( 197) = ( 0.2115385 -0.0000000 0.5000000), wk = 0.0026525 k( 198) = ( 0.2211539 -0.0000000 0.5000000), wk = 0.0026525 k( 199) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0026525 k( 200) = ( 0.2403846 0.0000000 0.5000000), wk = 0.0026525 k( 201) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0026525 k( 202) = ( 0.2596154 0.0000000 0.5000000), wk = 0.0026525 k( 203) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0026525 k( 204) = ( 0.2788462 0.0000000 0.5000000), wk = 0.0026525 k( 205) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0026525 k( 206) = ( 0.2980769 0.0000000 0.5000000), wk = 0.0026525 k( 207) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0026525 k( 208) = ( 0.3173077 -0.0000000 0.5000000), wk = 0.0026525 k( 209) = ( 0.3269231 -0.0000000 0.5000000), wk = 0.0026525 k( 210) = ( 0.3365385 -0.0000000 0.5000000), wk = 0.0026525 k( 211) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0026525 k( 212) = ( 0.3557692 0.0000000 0.5000000), wk = 0.0026525 k( 213) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0026525 k( 214) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0026525 k( 215) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0026525 k( 216) = ( 0.3942308 -0.0000000 0.5000000), wk = 0.0026525 k( 217) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0026525 k( 218) = ( 0.4134615 0.0000000 0.5000000), wk = 0.0026525 k( 219) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0026525 k( 220) = ( 0.4326923 -0.0000000 0.5000000), wk = 0.0026525 k( 221) = ( 0.4423077 -0.0000000 0.5000000), wk = 0.0026525 k( 222) = ( 0.4519231 0.0000000 0.5000000), wk = 0.0026525 k( 223) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0026525 k( 224) = ( 0.4711538 0.0000000 0.5000000), wk = 0.0026525 k( 225) = ( 0.4807692 -0.0000000 0.5000000), wk = 0.0026525 k( 226) = ( 0.4903846 -0.0000000 0.5000000), wk = 0.0026525 k( 227) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0026525 k( 228) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0026525 k( 229) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0026525 k( 230) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0026525 k( 231) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0026525 k( 232) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0026525 k( 233) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0026525 k( 234) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0026525 k( 235) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0026525 k( 236) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0026525 k( 237) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0026525 k( 238) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026525 k( 239) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0026525 k( 240) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0026525 k( 241) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0026525 k( 242) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0026525 k( 243) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026525 k( 244) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0026525 k( 245) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0026525 k( 246) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0026525 k( 247) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0026525 k( 248) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026525 k( 249) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0026525 k( 250) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0026525 k( 251) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0026525 k( 252) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0026525 k( 253) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0026525 k( 254) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0026525 k( 255) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0026525 k( 256) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0026525 k( 257) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0026525 k( 258) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026525 k( 259) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026525 k( 260) = ( 0.3277778 0.3277778 0.5000000), wk = 0.0026525 k( 261) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0026525 k( 262) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0026525 k( 263) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0026525 k( 264) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0026525 k( 265) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0026525 k( 266) = ( 0.2944444 0.2944444 0.5000000), wk = 0.0026525 k( 267) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0026525 k( 268) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0026525 k( 269) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0026525 k( 270) = ( 0.2722222 0.2722222 0.5000000), wk = 0.0026525 k( 271) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0026525 k( 272) = ( 0.2611111 0.2611111 0.5000000), wk = 0.0026525 k( 273) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0026525 k( 274) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026525 k( 275) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0026525 k( 276) = ( 0.2388889 0.2388889 0.5000000), wk = 0.0026525 k( 277) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0026525 k( 278) = ( 0.2277778 0.2277778 0.5000000), wk = 0.0026525 k( 279) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0026525 k( 280) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0026525 k( 281) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0026525 k( 282) = ( 0.2055556 0.2055556 0.5000000), wk = 0.0026525 k( 283) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0026525 k( 284) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0026525 k( 285) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0026525 k( 286) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0026525 k( 287) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0026525 k( 288) = ( 0.1722222 0.1722222 0.5000000), wk = 0.0026525 k( 289) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026525 k( 290) = ( 0.1611111 0.1611111 0.5000000), wk = 0.0026525 k( 291) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0026525 k( 292) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0026525 k( 293) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0026525 k( 294) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0026525 k( 295) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0026525 k( 296) = ( 0.1277778 0.1277778 0.5000000), wk = 0.0026525 k( 297) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0026525 k( 298) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0026525 k( 299) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0026525 k( 300) = ( 0.1055556 0.1055556 0.5000000), wk = 0.0026525 k( 301) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0026525 k( 302) = ( 0.0944444 0.0944444 0.5000000), wk = 0.0026525 k( 303) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0026525 k( 304) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0026525 k( 305) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0026525 k( 306) = ( 0.0722222 0.0722222 0.5000000), wk = 0.0026525 k( 307) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0026525 k( 308) = ( 0.0611111 0.0611111 0.5000000), wk = 0.0026525 k( 309) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0026525 k( 310) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0026525 k( 311) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0026525 k( 312) = ( 0.0388889 0.0388889 0.5000000), wk = 0.0026525 k( 313) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0026525 k( 314) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0026525 k( 315) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0026525 k( 316) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0026525 k( 317) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0026525 k( 318) = ( 0.0055556 0.0055556 0.5000000), wk = 0.0026525 k( 319) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 320) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0026525 k( 321) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0026525 k( 322) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0026525 k( 323) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0026525 k( 324) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0026525 k( 325) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0026525 k( 326) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0026525 k( 327) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0026525 k( 328) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0026525 k( 329) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0026525 k( 330) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0026525 k( 331) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0026525 k( 332) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0026525 k( 333) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0026525 k( 334) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0026525 k( 335) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0026525 k( 336) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0026525 k( 337) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0026525 k( 338) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0026525 k( 339) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0026525 k( 340) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0026525 k( 341) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0026525 k( 342) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0026525 k( 343) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0026525 k( 344) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0026525 k( 345) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0026525 k( 346) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0026525 k( 347) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0026525 k( 348) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0026525 k( 349) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026525 k( 350) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0026525 k( 351) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0026525 k( 352) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0026525 k( 353) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0026525 k( 354) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0026525 k( 355) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0026525 k( 356) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0026525 k( 357) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0026525 k( 358) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0026525 k( 359) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0026525 k( 360) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0026525 k( 361) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0026525 k( 362) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0026525 k( 363) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026525 k( 364) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0026525 k( 365) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0026525 k( 366) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0026525 k( 367) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0026525 k( 368) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0026525 k( 369) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0026525 k( 370) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0026525 k( 371) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0026525 k( 372) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0026525 k( 373) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0026525 k( 374) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0026525 k( 375) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0026525 k( 376) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0026525 k( 377) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026525 Dense grid: 40807 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 16539 G-vectors FFT dimensions: ( 30, 30, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 96, 44) NL pseudopotentials 0.07 Mb ( 48, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 851) G-vector shells 0.00 Mb ( 436) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 96, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InN.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.9 secs Computing kpt #: 2 total cpu time spent up to now is 41.8 secs Computing kpt #: 3 total cpu time spent up to now is 42.7 secs Computing kpt #: 4 total cpu time spent up to now is 43.6 secs Computing kpt #: 5 total cpu time spent up to now is 44.4 secs Computing kpt #: 6 total cpu time spent up to now is 45.3 secs Computing kpt #: 7 total cpu time spent up to now is 46.9 secs Computing kpt #: 8 total cpu time spent up to now is 47.9 secs Computing kpt #: 9 total cpu time spent up to now is 48.7 secs Computing kpt #: 10 total cpu time spent up to now is 49.6 secs Computing kpt #: 11 total cpu time spent up to now is 50.4 secs Computing kpt #: 12 total cpu time spent up to now is 51.2 secs Computing kpt #: 13 total cpu time spent up to now is 52.3 secs Computing kpt #: 14 total cpu time spent up to now is 53.1 secs Computing kpt #: 15 total cpu time spent up to now is 54.3 secs Computing kpt #: 16 total cpu time spent up to now is 55.4 secs Computing kpt #: 17 total cpu time spent up to now is 56.6 secs Computing kpt #: 18 total cpu time spent up to now is 57.8 secs Computing kpt #: 19 total cpu time spent up to now is 58.8 secs Computing kpt #: 20 total cpu time spent up to now is 59.7 secs Computing kpt #: 21 total cpu time spent up to now is 60.9 secs Computing kpt #: 22 total cpu time spent up to now is 62.2 secs Computing kpt #: 23 total cpu time spent up to now is 63.7 secs Computing kpt #: 24 total cpu time spent up to now is 65.0 secs Computing kpt #: 25 total cpu time spent up to now is 66.0 secs Computing kpt #: 26 total cpu time spent up to now is 67.1 secs Computing kpt #: 27 total cpu time spent up to now is 68.0 secs Computing kpt #: 28 total cpu time spent up to now is 69.0 secs Computing kpt #: 29 total cpu time spent up to now is 69.9 secs Computing kpt #: 30 total cpu time spent up to now is 70.9 secs Computing kpt #: 31 total cpu time spent up to now is 72.1 secs Computing kpt #: 32 total cpu time spent up to now is 73.2 secs Computing kpt #: 33 total cpu time spent up to now is 74.4 secs Computing kpt #: 34 total cpu time spent up to now is 75.1 secs Computing kpt #: 35 total cpu time spent up to now is 75.9 secs Computing kpt #: 36 total cpu time spent up to now is 77.3 secs Computing kpt #: 37 total cpu time spent up to now is 78.1 secs Computing kpt #: 38 total cpu time spent up to now is 79.0 secs Computing kpt #: 39 total cpu time spent up to now is 79.7 secs Computing kpt #: 40 total cpu time spent up to now is 80.4 secs Computing kpt #: 41 total cpu time spent up to now is 82.5 secs Computing kpt #: 42 total cpu time spent up to now is 84.0 secs Computing kpt #: 43 total cpu time spent up to now is 85.0 secs Computing kpt #: 44 total cpu time spent up to now is 86.2 secs Computing kpt #: 45 total cpu time spent up to now is 87.0 secs Computing kpt #: 46 total cpu time spent up to now is 88.3 secs Computing kpt #: 47 total cpu time spent up to now is 90.0 secs Computing kpt #: 48 total cpu time spent up to now is 90.7 secs Computing kpt #: 49 total cpu time spent up to now is 91.9 secs Computing kpt #: 50 total cpu time spent up to now is 92.7 secs Computing kpt #: 51 total cpu time spent up to now is 94.8 secs Computing kpt #: 52 total cpu time spent up to now is 95.4 secs Computing kpt #: 53 total cpu time spent up to now is 96.0 secs Computing kpt #: 54 total cpu time spent up to now is 97.0 secs Computing kpt #: 55 total cpu time spent up to now is 97.7 secs Computing kpt #: 56 total cpu time spent up to now is 98.4 secs Computing kpt #: 57 total cpu time spent up to now is 99.0 secs Computing kpt #: 58 total cpu time spent up to now is 100.8 secs Computing kpt #: 59 total cpu time spent up to now is 101.7 secs Computing kpt #: 60 total cpu time spent up to now is 103.4 secs Computing kpt #: 61 total cpu time spent up to now is 105.8 secs Computing kpt #: 62 total cpu time spent up to now is 106.8 secs Computing kpt #: 63 total cpu time spent up to now is 109.3 secs Computing kpt #: 64 total cpu time spent up to now is 111.6 secs Computing kpt #: 65 total cpu time spent up to now is 112.7 secs Computing kpt #: 66 total cpu time spent up to now is 113.8 secs Computing kpt #: 67 total cpu time spent up to now is 115.2 secs Computing kpt #: 68 total cpu time spent up to now is 116.2 secs Computing kpt #: 69 total cpu time spent up to now is 116.9 secs Computing kpt #: 70 total cpu time spent up to now is 117.9 secs Computing kpt #: 71 total cpu time spent up to now is 119.9 secs Computing kpt #: 72 total cpu time spent up to now is 121.2 secs Computing kpt #: 73 total cpu time spent up to now is 122.7 secs Computing kpt #: 74 total cpu time spent up to now is 125.1 secs Computing kpt #: 75 total cpu time spent up to now is 125.9 secs Computing kpt 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spent up to now is 141.5 secs Computing kpt #: 92 total cpu time spent up to now is 142.2 secs Computing kpt #: 93 total cpu time spent up to now is 143.0 secs Computing kpt #: 94 total cpu time spent up to now is 143.9 secs Computing kpt #: 95 total cpu time spent up to now is 144.8 secs Computing kpt #: 96 total cpu time spent up to now is 145.6 secs Computing kpt #: 97 total cpu time spent up to now is 147.5 secs Computing kpt #: 98 total cpu time spent up to now is 148.5 secs Computing kpt #: 99 total cpu time spent up to now is 149.7 secs Computing kpt #: 100 total cpu time spent up to now is 150.6 secs Computing kpt #: 101 total cpu time spent up to now is 151.3 secs Computing kpt #: 102 total cpu time spent up to now is 152.0 secs Computing kpt #: 103 total cpu time spent up to now is 152.7 secs Computing kpt #: 104 total cpu time spent up to now is 153.4 secs Computing kpt #: 105 total cpu time spent up to now is 154.2 secs Computing kpt #: 106 total cpu time spent up to now is 155.2 secs Computing kpt #: 107 total cpu time spent up to now is 156.1 secs Computing kpt #: 108 total cpu time spent up to now is 156.9 secs Computing kpt #: 109 total cpu time spent up to now is 158.5 secs Computing kpt #: 110 total cpu time spent up to now is 159.6 secs Computing kpt #: 111 total cpu time spent up to now is 160.5 secs Computing kpt #: 112 total cpu time spent up to now is 161.4 secs Computing kpt #: 113 total cpu time spent up to now is 162.6 secs Computing kpt #: 114 total cpu time spent up to now is 163.9 secs Computing kpt #: 115 total cpu time spent up to now is 165.4 secs Computing kpt #: 116 total cpu time spent up to now is 166.3 secs Computing kpt #: 117 total cpu time spent up to now is 167.0 secs Computing kpt #: 118 total cpu time spent up to now is 167.7 secs Computing kpt #: 119 total cpu time spent up to now is 168.3 secs Computing kpt #: 120 total cpu time spent up to now is 169.0 secs Computing kpt #: 121 total cpu time spent up to now is 169.7 secs Computing kpt #: 122 total cpu time spent up to now is 170.4 secs Computing kpt #: 123 total cpu time spent up to now is 171.0 secs Computing kpt #: 124 total cpu time spent up to now is 171.9 secs Computing kpt #: 125 total cpu time spent up to now is 173.6 secs Computing kpt #: 126 total cpu time spent up to now is 175.7 secs Computing kpt #: 127 total cpu time spent up to now is 178.1 secs Computing kpt #: 128 total cpu time spent up to now is 179.1 secs Computing kpt #: 129 total cpu time spent up to now is 179.9 secs Computing kpt #: 130 total cpu time spent up to now is 180.6 secs Computing kpt #: 131 total cpu time spent up to now is 181.3 secs Computing kpt #: 132 total cpu time spent up to now is 182.1 secs Computing kpt #: 133 total cpu time spent up to now is 183.2 secs Computing kpt #: 134 total cpu time spent up to now is 184.3 secs Computing kpt #: 135 total cpu time spent up to now is 185.8 secs Computing kpt #: 136 total cpu time spent up to now is 186.9 secs Computing kpt #: 137 total cpu time spent up to now is 188.0 secs Computing kpt #: 138 total cpu time spent up to now is 189.5 secs Computing kpt #: 139 total cpu time spent up to now is 190.8 secs Computing kpt #: 140 total cpu time spent up to now is 192.4 secs Computing kpt #: 141 total cpu time spent up to now is 193.5 secs Computing kpt #: 142 total cpu time spent up to now is 194.4 secs Computing kpt #: 143 total cpu time spent up to now is 195.2 secs Computing kpt #: 144 total cpu time spent up to now is 196.1 secs Computing kpt #: 145 total cpu time spent up to now is 197.4 secs Computing kpt #: 146 total cpu time spent up to now is 198.6 secs Computing kpt #: 147 total cpu time spent up to now is 199.6 secs Computing kpt #: 148 total cpu time spent up to now is 200.9 secs Computing kpt #: 149 total cpu time spent up to now is 202.3 secs Computing kpt #: 150 total cpu time spent up to now is 203.8 secs Computing kpt #: 151 total cpu time spent up to now is 205.0 secs Computing kpt #: 152 total cpu time spent up to now is 205.8 secs Computing kpt #: 153 total cpu time spent up to now is 206.6 secs Computing kpt #: 154 total cpu time spent up to now is 207.4 secs Computing kpt #: 155 total cpu time spent up to now is 208.2 secs Computing kpt #: 156 total cpu time spent up to now is 209.1 secs Computing kpt #: 157 total cpu time spent up to now is 209.9 secs Computing kpt #: 158 total cpu time spent up to now is 210.7 secs Computing kpt #: 159 total cpu time spent up to now is 211.8 secs Computing kpt #: 160 total cpu time spent up to now is 212.6 secs Computing kpt #: 161 total cpu time spent up to now is 214.9 secs Computing kpt #: 162 total cpu time spent up to now is 216.1 secs Computing kpt #: 163 total cpu time spent up to now is 217.1 secs Computing kpt #: 164 total cpu time spent up to now is 218.0 secs Computing kpt #: 165 total cpu time spent up to now is 219.0 secs Computing kpt #: 166 total cpu time spent up to now is 219.9 secs Computing kpt #: 167 total cpu time spent up to now is 221.1 secs Computing kpt #: 168 total cpu time spent up to now is 222.0 secs Computing kpt #: 169 total cpu time spent up to now is 223.2 secs Computing kpt #: 170 total cpu time spent up to now is 224.4 secs Computing kpt #: 171 total cpu time spent up to now is 225.7 secs Computing kpt #: 172 total cpu time spent up to now is 226.3 secs Computing kpt #: 173 total cpu time spent up to now is 226.9 secs Computing kpt #: 174 total cpu time spent up to now is 227.5 secs Computing kpt #: 175 total cpu time spent up to now is 228.0 secs Computing kpt #: 176 total cpu time spent up to now is 228.6 secs Computing kpt #: 177 total cpu time spent up to now is 229.8 secs Computing kpt #: 178 total cpu time spent up to now is 231.2 secs Computing kpt #: 179 total cpu time spent up to now is 232.0 secs Computing kpt #: 180 total cpu time spent up to now is 232.9 secs Computing kpt #: 181 total cpu time spent up to now is 233.5 secs Computing kpt #: 182 total cpu time spent up to now is 234.2 secs Computing kpt #: 183 total cpu time spent up to now is 235.7 secs Computing kpt #: 184 total cpu time spent up to now is 237.4 secs Computing kpt #: 185 total cpu time spent up to now is 238.2 secs Computing kpt #: 186 total cpu time spent up to now is 238.9 secs Computing kpt #: 187 total cpu time spent up to now is 239.5 secs Computing kpt #: 188 total cpu time spent up to now is 240.2 secs Computing kpt #: 189 total cpu time spent up to now is 240.8 secs Computing kpt #: 190 total cpu time spent up to now is 241.5 secs Computing kpt #: 191 total cpu time spent up to now is 242.1 secs Computing kpt #: 192 total cpu time spent up to now is 243.2 secs Computing kpt #: 193 total cpu time spent up to now is 244.3 secs Computing kpt #: 194 total cpu time spent up to now is 245.0 secs Computing kpt #: 195 total cpu time spent up to now is 245.9 secs Computing kpt #: 196 total cpu time spent up to now is 247.3 secs Computing kpt #: 197 total cpu time spent up to now is 248.4 secs Computing kpt #: 198 total cpu time spent up to now is 249.5 secs Computing kpt #: 199 total cpu time spent up to now is 250.2 secs Computing kpt #: 200 total cpu time spent up to now is 250.9 secs Computing kpt #: 201 total cpu time spent up to now is 251.7 secs Computing kpt #: 202 total cpu time spent up to now is 252.4 secs Computing kpt #: 203 total cpu time spent up to now is 253.1 secs Computing kpt #: 204 total cpu time spent up to now is 253.8 secs Computing kpt #: 205 total cpu time spent up to now is 254.5 secs Computing kpt #: 206 total cpu time spent up to now is 255.2 secs Computing kpt #: 207 total cpu time spent up to now is 255.8 secs Computing kpt #: 208 total cpu time spent up to now is 257.1 secs Computing kpt #: 209 total cpu time spent up to now is 258.6 secs Computing kpt #: 210 total cpu time spent up to now is 260.0 secs Computing kpt #: 211 total cpu time spent up to now is 261.2 secs Computing kpt #: 212 total cpu time spent up to now is 263.0 secs Computing kpt #: 213 total cpu time spent up to now is 264.7 secs Computing kpt #: 214 total cpu time spent up to now is 266.0 secs Computing kpt #: 215 total cpu time spent up to now is 266.9 secs Computing kpt #: 216 total cpu time spent up to now is 267.7 secs Computing kpt #: 217 total cpu time spent up to now is 268.4 secs Computing kpt #: 218 total cpu time spent up to now is 269.4 secs Computing kpt #: 219 total cpu time spent up to now is 271.0 secs Computing kpt #: 220 total cpu time spent up to now is 272.5 secs Computing kpt #: 221 total cpu time spent up to now is 274.0 secs Computing kpt #: 222 total cpu time spent up to now is 275.5 secs Computing kpt #: 223 total cpu time spent up to now is 276.2 secs Computing kpt #: 224 total cpu time spent up to now is 277.0 secs Computing kpt #: 225 total cpu time spent up to now is 277.7 secs Computing kpt #: 226 total cpu time spent up to now is 278.4 secs Computing kpt #: 227 total cpu time spent up to now is 279.1 secs Computing kpt #: 228 total cpu time spent up to now is 279.9 secs Computing kpt #: 229 total cpu time spent up to now is 280.8 secs Computing kpt #: 230 total cpu time spent up to now is 282.2 secs Computing kpt #: 231 total cpu time spent up to now is 283.2 secs Computing kpt #: 232 total cpu time spent up to now is 284.1 secs Computing kpt #: 233 total cpu time spent up to now is 285.0 secs Computing kpt #: 234 total cpu time spent up to now is 286.3 secs Computing kpt #: 235 total cpu time spent up to now is 287.9 secs Computing kpt #: 236 total cpu time spent up to now is 288.9 secs Computing kpt #: 237 total cpu time spent up to now is 289.6 secs Computing kpt #: 238 total cpu time spent up to now is 290.4 secs Computing kpt #: 239 total cpu time spent up to now is 291.2 secs Computing kpt #: 240 total cpu time spent up to now is 291.9 secs Computing kpt #: 241 total cpu time spent up to now is 292.6 secs Computing kpt #: 242 total cpu time spent up to now is 293.4 secs Computing kpt #: 243 total cpu time spent up to now is 294.3 secs Computing kpt #: 244 total cpu time spent up to now is 296.5 secs Computing kpt #: 245 total cpu time spent up to now is 298.1 secs Computing kpt #: 246 total cpu time spent up to now is 299.8 secs Computing kpt #: 247 total cpu time spent up to now is 301.4 secs Computing kpt #: 248 total cpu time spent up to now is 302.7 secs Computing kpt #: 249 total cpu time spent up to now is 303.9 secs Computing kpt #: 250 total cpu time spent up to now is 304.7 secs Computing kpt #: 251 total cpu time spent up to now is 305.5 secs Computing kpt #: 252 total cpu time spent up to now is 306.3 secs Computing kpt #: 253 total cpu time spent up to now is 307.2 secs Computing kpt #: 254 total cpu time spent up to now is 308.4 secs Computing kpt #: 255 total cpu time spent up to now is 309.8 secs Computing kpt #: 256 total cpu time spent up to now is 311.6 secs Computing kpt #: 257 total cpu time spent up to now is 312.9 secs Computing kpt #: 258 total cpu time spent up to now is 313.7 secs Computing kpt #: 259 total cpu time spent up to now is 314.7 secs Computing kpt #: 260 total cpu time spent up to now is 315.5 secs Computing kpt #: 261 total cpu time spent up to now is 316.3 secs Computing kpt #: 262 total cpu time spent up to now is 317.1 secs Computing kpt #: 263 total cpu time spent up to now is 318.0 secs Computing kpt #: 264 total cpu time spent up to now is 318.7 secs Computing kpt #: 265 total cpu time spent up to now is 319.6 secs Computing kpt #: 266 total cpu time spent up to now is 320.4 secs Computing kpt #: 267 total cpu time spent up to now is 321.2 secs Computing kpt #: 268 total cpu time spent up to now is 322.0 secs Computing kpt #: 269 total cpu time spent up to now is 323.0 secs Computing kpt #: 270 total cpu time spent up to now is 323.9 secs Computing kpt #: 271 total cpu time spent up to now is 324.9 secs Computing kpt #: 272 total cpu time spent up to now is 326.1 secs Computing kpt #: 273 total cpu time spent up to now is 327.1 secs Computing kpt #: 274 total cpu time spent up to now is 328.5 secs Computing kpt #: 275 total cpu time spent up to now is 329.7 secs Computing kpt #: 276 total cpu time spent up to now is 331.2 secs Computing kpt #: 277 total cpu time spent up to now is 332.2 secs Computing kpt #: 278 total cpu time spent up to now is 333.3 secs Computing kpt #: 279 total cpu time spent up to now is 334.0 secs Computing kpt #: 280 total cpu time spent up to now is 334.8 secs Computing kpt #: 281 total cpu time spent up to now is 335.5 secs Computing kpt #: 282 total cpu time spent up to now is 336.2 secs Computing kpt #: 283 total cpu time spent up to now is 337.1 secs Computing kpt #: 284 total cpu time spent up to now is 338.3 secs Computing kpt #: 285 total cpu time spent up to now is 339.7 secs Computing kpt #: 286 total cpu time spent up to now is 340.7 secs Computing kpt #: 287 total cpu time spent up to now is 341.7 secs Computing kpt #: 288 total cpu time spent up to now is 343.0 secs Computing kpt #: 289 total cpu time spent up to now is 344.1 secs Computing kpt #: 290 total cpu time spent up to now is 345.2 secs Computing kpt #: 291 total cpu time spent up to now is 346.0 secs Computing kpt #: 292 total cpu time spent up to now is 346.7 secs Computing kpt #: 293 total cpu time spent up to now is 347.4 secs Computing kpt #: 294 total cpu time spent up to now is 348.1 secs Computing kpt #: 295 total cpu time spent up to now is 348.8 secs Computing kpt #: 296 total cpu time spent up to now is 349.5 secs Computing kpt #: 297 total cpu time spent up to now is 350.7 secs Computing kpt #: 298 total cpu time spent up to now is 351.5 secs Computing kpt #: 299 total cpu time spent up to now is 352.4 secs Computing kpt #: 300 total cpu time spent up to now is 353.6 secs Computing kpt #: 301 total cpu time spent up to now is 354.4 secs Computing kpt #: 302 total cpu time spent up to now is 355.3 secs Computing kpt #: 303 total cpu time spent up to now is 356.2 secs Computing kpt #: 304 total cpu time spent up to now is 357.8 secs Computing kpt #: 305 total cpu time spent up to now is 359.0 secs Computing kpt #: 306 total cpu time spent up to now is 360.1 secs Computing kpt #: 307 total cpu time spent up to now is 360.9 secs Computing kpt #: 308 total cpu time spent up to now is 361.9 secs Computing kpt #: 309 total cpu time spent up to now is 362.6 secs Computing kpt #: 310 total cpu time spent up to now is 363.5 secs Computing kpt #: 311 total cpu time spent up to now is 364.3 secs Computing kpt #: 312 total cpu time spent up to now is 364.9 secs Computing kpt #: 313 total cpu time spent up to now is 365.5 secs Computing kpt #: 314 total cpu time spent up to now is 366.1 secs Computing kpt #: 315 total cpu time spent up to now is 366.7 secs Computing kpt #: 316 total cpu time spent up to now is 367.7 secs Computing kpt #: 317 total cpu time spent up to now is 368.3 secs Computing kpt #: 318 total cpu time spent up to now is 371.1 secs Computing kpt #: 319 total cpu time spent up to now is 372.0 secs Computing kpt #: 320 total cpu time spent up to now is 373.0 secs Computing kpt #: 321 total cpu time spent up to now is 374.1 secs Computing kpt #: 322 total cpu time spent up to now is 375.1 secs Computing kpt #: 323 total cpu time spent up to now is 375.9 secs Computing kpt #: 324 total cpu time spent up to now is 376.7 secs Computing kpt #: 325 total cpu time spent up to now is 377.4 secs Computing kpt #: 326 total cpu time spent up to now is 378.1 secs Computing kpt #: 327 total cpu time spent up to now is 378.9 secs Computing kpt #: 328 total cpu time spent up to now is 379.7 secs Computing kpt #: 329 total cpu time spent up to now is 380.5 secs Computing kpt #: 330 total cpu time spent up to now is 381.3 secs Computing kpt #: 331 total cpu time spent up to now is 383.4 secs Computing kpt #: 332 total cpu time spent up to now is 384.6 secs Computing kpt #: 333 total cpu time spent up to now is 385.6 secs Computing kpt #: 334 total cpu time spent up to now is 387.5 secs Computing kpt #: 335 total cpu time spent up to now is 389.5 secs Computing kpt #: 336 total cpu time spent up to now is 392.9 secs Computing kpt #: 337 total cpu time spent up to now is 393.6 secs Computing kpt #: 338 total cpu time spent up to now is 394.3 secs Computing kpt #: 339 total cpu time spent up to now is 395.2 secs Computing kpt #: 340 total cpu time spent up to now is 397.6 secs Computing kpt #: 341 total cpu time spent up to now is 398.8 secs Computing kpt #: 342 total cpu time spent up to now is 400.2 secs Computing kpt #: 343 total cpu time spent up to now is 403.1 secs Computing kpt #: 344 total cpu time spent up to now is 404.1 secs Computing kpt #: 345 total cpu time spent up to now is 405.0 secs Computing kpt #: 346 total cpu time spent up to now is 406.2 secs Computing kpt #: 347 total cpu time spent up to now is 407.2 secs Computing kpt #: 348 total cpu time spent up to now is 408.6 secs Computing kpt #: 349 total cpu time spent up to now is 409.2 secs Computing kpt #: 350 total cpu time spent up to now is 409.8 secs Computing kpt #: 351 total cpu time spent up to now is 410.6 secs Computing kpt #: 352 total cpu time spent up to now is 411.2 secs Computing kpt #: 353 total cpu time spent up to now is 411.9 secs Computing kpt #: 354 total cpu time spent up to now is 412.6 secs Computing kpt #: 355 total cpu time spent up to now is 413.2 secs Computing kpt #: 356 total cpu time spent up to now is 414.2 secs Computing kpt #: 357 total cpu time spent up to now is 414.9 secs Computing kpt #: 358 total cpu time spent up to now is 415.7 secs Computing kpt #: 359 total cpu time spent up to now is 417.4 secs Computing kpt #: 360 total cpu time spent up to now is 418.2 secs Computing kpt #: 361 total cpu time spent up to now is 419.3 secs Computing kpt #: 362 total cpu time spent up to now is 420.1 secs Computing kpt #: 363 total cpu time spent up to now is 421.2 secs Computing kpt #: 364 total cpu time spent up to now is 422.4 secs Computing kpt #: 365 total cpu time spent up to now is 424.3 secs Computing kpt #: 366 total cpu time spent up to now is 426.0 secs Computing kpt #: 367 total cpu time spent up to now is 426.8 secs Computing kpt #: 368 total cpu time spent up to now is 427.6 secs Computing kpt #: 369 total cpu time spent up to now is 428.4 secs Computing kpt #: 370 total cpu time spent up to now is 429.2 secs Computing kpt #: 371 total cpu time spent up to now is 430.4 secs Computing kpt #: 372 total cpu time spent up to now is 431.9 secs Computing kpt #: 373 total cpu time spent up to now is 433.1 secs Computing kpt #: 374 total cpu time spent up to now is 434.7 secs Computing kpt #: 375 total cpu time spent up to now is 436.1 secs Computing kpt #: 376 total cpu time spent up to now is 437.0 secs Computing kpt #: 377 total cpu time spent up to now is 437.8 secs ethr = 2.78E-11, avg # of iterations = 22.1 total cpu time spent up to now is 438.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2069 PWs) bands (ev): -5.3097 -5.3097 -5.0254 -5.0254 -4.2488 -4.2488 -4.2260 -4.2260 -4.2017 -4.2017 -3.6229 -3.6229 -3.5147 -3.5147 -3.4110 -3.4110 -3.3330 -3.3330 -3.3028 -3.3028 -3.1295 -3.1295 -1.6613 -1.6613 3.8221 3.8221 8.6648 8.6648 8.7091 8.7091 9.3120 9.3120 9.5486 9.5486 9.5560 9.5560 9.5589 9.5589 12.3215 12.3215 16.4437 16.4437 18.2811 18.2811 k = 0.0096 0.0056-0.0000 ( 2069 PWs) bands (ev): -5.3132 -5.3061 -5.0260 -5.0252 -4.2484 -4.2483 -4.2279 -4.2238 -4.2013 -4.2013 -3.6344 -3.6115 -3.5161 -3.5125 -3.4135 -3.4084 -3.3330 -3.3328 -3.3027 -3.3027 -3.1296 -3.1296 -1.6657 -1.6556 3.8225 3.8238 8.6572 8.6642 8.7052 8.7055 9.2766 9.2768 9.5360 9.5420 9.5552 9.5565 9.5989 9.6054 12.3242 12.3304 16.4428 16.4437 18.2750 18.2811 k = 0.0192 0.0111-0.0000 ( 2053 PWs) bands (ev): -5.3167 -5.3024 -5.0269 -5.0254 -4.2470 -4.2467 -4.2293 -4.2212 -4.2003 -4.2001 -3.6459 -3.6002 -3.5167 -3.5095 -3.4156 -3.4055 -3.3328 -3.3325 -3.3025 -3.3024 -3.1297 -3.1297 -1.6690 -1.6488 3.8251 3.8275 8.6396 8.6549 8.6942 8.6965 9.1997 9.2002 9.5306 9.5383 9.5525 9.5548 9.6771 9.6845 12.3384 12.3507 16.4411 16.4429 18.2622 18.2740 k = 0.0288 0.0167-0.0000 ( 2047 PWs) bands (ev): -5.3201 -5.2988 -5.0282 -5.0261 -4.2449 -4.2443 -4.2302 -4.2183 -4.1987 -4.1981 -3.6575 -3.5891 -3.5164 -3.5057 -3.4175 -3.4026 -3.3325 -3.3320 -3.3021 -3.3020 -3.1301 -3.1300 -1.6711 -1.6409 3.8298 3.8334 8.6095 8.6334 8.6798 8.6844 9.1085 9.1104 9.5250 9.5350 9.5483 9.5515 9.7667 9.7752 12.3639 12.3820 16.4384 16.4411 18.2417 18.2584 k = 0.0385 0.0222-0.0000 ( 2047 PWs) bands (ev): -5.3234 -5.2951 -5.0298 -5.0272 -4.2424 -4.2415 -4.2299 -4.2154 -4.1964 -4.1948 -3.6691 -3.5782 -3.5152 -3.5012 -3.4190 -3.3995 -3.3320 -3.3314 -3.3015 -3.3014 -3.1306 -3.1305 -1.6720 -1.6320 3.8366 3.8414 8.5664 8.5968 8.6648 8.6705 9.0125 9.0161 9.5182 9.5306 9.5425 9.5468 9.8604 9.8701 12.4001 12.4236 16.4347 16.4384 18.2118 18.2317 k = 0.0481 0.0278-0.0000 ( 2047 PWs) bands (ev): -5.3267 -5.2915 -5.0318 -5.0287 -4.2396 -4.2394 -4.2275 -4.2125 -4.1933 -4.1901 -3.6806 -3.5676 -3.5133 -3.4959 -3.4202 -3.3964 -3.3314 -3.3306 -3.3008 -3.3006 -3.1313 -3.1310 -1.6716 -1.6220 3.8455 3.8515 8.5111 8.5463 8.6488 8.6545 8.9149 8.9207 9.5098 9.5249 9.5352 9.5405 9.9557 9.9666 12.4462 12.4747 16.4299 16.4346 18.1708 18.1915 k = 0.0577 0.0333-0.0000 ( 2041 PWs) bands (ev): -5.3298 -5.2879 -5.0339 -5.0308 -4.2387 -4.2366 -4.2224 -4.2097 -4.1892 -4.1837 -3.6920 -3.5574 -3.5104 -3.4899 -3.4209 -3.3933 -3.3306 -3.3295 -3.2998 -3.2995 -3.1321 -3.1316 -1.6699 -1.6110 3.8564 3.8636 8.4444 8.4833 8.6308 8.6363 8.8172 8.8254 9.5001 9.5178 9.5265 9.5328 10.0516 10.0638 12.5014 12.5343 16.4239 16.4296 18.1175 18.1362 k = 0.0673 0.0389-0.0000 ( 2053 PWs) bands (ev): -5.3329 -5.2843 -5.0364 -5.0333 -4.2387 -4.2338 -4.2158 -4.2070 -4.1839 -4.1759 -3.7033 -3.5476 -3.5068 -3.4833 -3.4212 -3.3902 -3.3298 -3.3284 -3.2986 -3.2981 -3.1331 -3.1323 -1.6671 -1.5991 3.8694 3.8778 8.3672 8.4089 8.6103 8.6155 8.7200 8.7311 9.4887 9.5092 9.5163 9.5235 10.1476 10.1611 12.5647 12.6015 16.4166 16.4234 18.0522 18.0664 k = 0.0769 0.0444-0.0000 ( 2053 PWs) bands (ev): -5.3359 -5.2808 -5.0391 -5.0363 -4.2390 -4.2309 -4.2086 -4.2043 -4.1768 -4.1665 -3.7144 -3.5383 -3.5024 -3.4760 -3.4208 -3.3871 -3.3288 -3.3270 -3.2971 -3.2962 -3.1342 -3.1330 -1.6630 -1.5863 3.8844 3.8940 8.2809 8.3245 8.5873 8.5916 8.6243 8.6381 9.4759 9.4991 9.5046 9.5128 10.2435 10.2583 12.6352 12.6753 16.4078 16.4156 17.9762 17.9842 k = 0.0865 0.0500-0.0000 ( 2049 PWs) bands (ev): -5.3387 -5.2774 -5.0421 -5.0399 -4.2392 -4.2281 -4.2017 -4.2014 -4.1674 -4.1557 -3.7253 -3.5295 -3.4972 -3.4681 -3.4197 -3.3840 -3.3278 -3.3253 -3.2951 -3.2938 -3.1353 -3.1336 -1.6577 -1.5726 3.9014 3.9122 8.1866 8.2315 8.5265 8.5454 8.5625 8.5682 9.4615 9.4874 9.4916 9.5006 10.3392 10.3552 12.7118 12.7547 16.3972 16.4061 17.8917 17.8927 k = 0.0962 0.0555-0.0000 ( 2059 PWs) bands (ev): -5.3416 -5.2741 -5.0454 -5.0439 -4.2395 -4.2255 -4.1990 -4.1946 -4.1556 -4.1438 -3.7361 -3.5214 -3.4914 -3.4597 -3.4177 -3.3811 -3.3266 -3.3235 -3.2927 -3.2907 -3.1366 -3.1343 -1.6512 -1.5581 3.9204 3.9324 8.0853 8.1313 8.4318 8.4539 8.5345 8.5399 9.4453 9.4740 9.4771 9.4870 10.4344 10.4518 12.7935 12.8388 16.3845 16.3945 17.7950 17.8011 k = 0.1058 0.0611-0.0000 ( 2061 PWs) bands (ev): -5.3443 -5.2710 -5.0488 -5.0484 -4.2396 -4.2229 -4.1961 -4.1883 -4.1414 -4.1310 -3.7466 -3.5140 -3.4850 -3.4509 -3.4148 -3.3783 -3.3254 -3.3215 -3.2897 -3.2868 -3.1378 -3.1350 -1.6435 -1.5428 3.9413 3.9544 7.9786 8.0253 8.3370 8.3623 8.5044 8.5098 9.4277 9.4592 9.4613 9.4719 10.5294 10.5481 12.8794 12.9266 16.3693 16.3804 17.6940 17.7068 k = 0.1154 0.0666-0.0000 ( 2069 PWs) bands (ev): -5.3469 -5.2681 -5.0534 -5.0525 -4.2397 -4.2204 -4.1932 -4.1821 -4.1252 -4.1173 -3.7568 -3.5075 -3.4783 -3.4417 -3.4108 -3.3755 -3.3242 -3.3192 -3.2859 -3.2820 -3.1390 -3.1355 -1.6348 -1.5270 3.9640 3.9783 7.8673 7.9148 8.2420 8.2703 8.4724 8.4777 9.4085 9.4427 9.4442 9.4555 10.6239 10.6440 12.9687 13.0172 16.3511 16.3632 17.5919 17.6112 k = 0.1250 0.0722-0.0000 ( 2068 PWs) bands (ev): -5.3495 -5.2653 -5.0588 -5.0564 -4.2396 -4.2180 -4.1901 -4.1760 -4.1073 -4.1029 -3.7667 -3.5017 -3.4714 -3.4324 -3.4056 -3.3728 -3.3229 -3.3168 -3.2811 -3.2760 -3.1401 -3.1360 -1.6248 -1.5104 3.9886 4.0040 7.7525 7.8009 8.1468 8.1777 8.4384 8.4438 9.3876 9.4246 9.4259 9.4378 10.7180 10.7395 13.0604 13.1099 16.3294 16.3426 17.4910 17.5162 k = 0.1346 0.0777-0.0000 ( 2070 PWs) bands (ev): -5.3520 -5.2627 -5.0647 -5.0606 -4.2394 -4.2156 -4.1870 -4.1698 -4.0880 -4.0879 -3.7761 -3.4967 -3.4645 -3.4232 -3.3992 -3.3700 -3.3216 -3.3141 -3.2753 -3.2688 -3.1410 -3.1362 -1.6138 -1.4932 4.0149 4.0315 7.6350 7.6842 8.0512 8.0844 8.4027 8.4082 9.3651 9.4049 9.4064 9.4189 10.8117 10.8345 13.1537 13.2040 16.3037 16.3177 17.3929 17.4238 k = 0.1442 0.0833-0.0000 ( 2070 PWs) bands (ev): -5.3544 -5.2603 -5.0709 -5.0649 -4.2392 -4.2133 -4.1837 -4.1635 -4.0727 -4.0673 -3.7852 -3.4924 -3.4579 -3.4144 -3.3917 -3.3671 -3.3203 -3.3113 -3.2681 -3.2601 -3.1414 -3.1362 -1.6018 -1.4755 4.0430 4.0606 7.5155 7.5657 7.9551 7.9904 8.3654 8.3710 9.3409 9.3835 9.3858 9.3987 10.9049 10.9291 13.2480 13.2986 16.2732 16.2880 17.2993 17.3355 k = 0.1538 0.0888-0.0000 ( 2074 PWs) bands (ev): -5.3567 -5.2583 -5.0775 -5.0695 -4.2388 -4.2111 -4.1803 -4.1570 -4.0573 -4.0457 -3.7938 -3.4887 -3.4517 -3.4064 -3.3833 -3.3639 -3.3189 -3.3084 -3.2594 -3.2501 -3.1411 -3.1359 -1.5888 -1.4573 4.0727 4.0913 7.3946 7.4457 7.8587 7.8957 8.3267 8.3324 9.3150 9.3604 9.3642 9.3774 10.9975 11.0232 13.3424 13.3930 16.2373 16.2527 17.2114 17.2528 k = 0.1635 0.0944-0.0000 ( 2076 PWs) bands (ev): -5.3590 -5.2564 -5.0845 -5.0742 -4.2384 -4.2090 -4.1769 -4.1503 -4.0417 -4.0233 -3.8018 -3.4855 -3.4459 -3.3994 -3.3741 -3.3602 -3.3173 -3.3054 -3.2489 -3.2389 -3.1396 -3.1351 -1.5750 -1.4387 4.1039 4.1235 7.2727 7.3248 7.7619 7.8005 8.2868 8.2926 9.2874 9.3355 9.3415 9.3551 11.0897 11.1169 13.4362 13.4865 16.1955 16.2114 17.1302 17.1767 k = 0.1731 0.0999-0.0000 ( 2070 PWs) bands (ev): -5.3612 -5.2548 -5.0918 -5.0792 -4.2379 -4.2070 -4.1734 -4.1434 -4.0261 -4.0004 -3.8092 -3.4828 -3.4407 -3.3938 -3.3646 -3.3558 -3.3156 -3.3022 -3.2367 -3.2269 -3.1360 -3.1336 -1.5603 -1.4198 4.1365 4.1570 7.1504 7.2035 7.6650 7.7049 8.2458 8.2518 9.2581 9.3090 9.3180 9.3319 11.1814 11.2100 13.5288 13.5786 16.1476 16.1638 17.0562 17.1078 k = 0.1827 0.1055-0.0000 ( 2066 PWs) bands (ev): -5.3633 -5.2536 -5.0993 -5.0843 -4.2373 -4.2049 -4.1698 -4.1363 -4.0106 -3.9774 -3.8158 -3.4803 -3.4361 -3.3897 -3.3550 -3.3510 -3.3136 -3.2989 -3.2229 -3.2154 -3.1311 -3.1293 -1.5448 -1.4005 4.1704 4.1918 7.0280 7.0822 7.5680 7.6091 8.2040 8.2102 9.2270 9.2807 9.2938 9.3078 11.2725 11.3025 13.6194 13.6684 16.0938 16.1101 16.9896 17.0461 k = 0.1923 0.1110-0.0000 ( 2074 PWs) bands (ev): -5.3654 -5.2526 -5.1071 -5.0897 -4.2367 -4.2031 -4.1663 -4.1292 -3.9955 -3.9547 -3.8213 -3.4781 -3.4321 -3.3868 -3.3460 -3.3457 -3.3111 -3.2956 -3.2080 -3.2057 -3.1268 -3.1177 -1.5288 -1.3812 4.2055 4.2276 6.9060 6.9612 7.4710 7.5131 8.1614 8.1677 9.1942 9.2505 9.2687 9.2829 11.3629 11.3945 13.7074 13.7554 16.0345 16.0509 16.9298 16.9911 k = 0.2019 0.1166-0.0000 ( 2074 PWs) bands (ev): -5.3674 -5.2519 -5.1150 -5.0951 -4.2359 -4.2013 -4.1627 -4.1220 -3.9806 -3.9329 -3.8252 -3.4760 -3.4285 -3.3848 -3.3409 -3.3371 -3.3079 -3.2921 -3.1986 -3.1930 -3.1196 -3.1003 -1.5121 -1.3617 4.2416 4.2643 6.7848 6.8411 7.3742 7.4172 8.1184 8.1248 9.1597 9.2186 9.2430 9.2574 11.4526 11.4857 13.7920 13.8389 15.9708 15.9870 16.8760 16.9417 k = 0.2115 0.1221-0.0000 ( 2076 PWs) bands (ev): -5.3694 -5.2516 -5.1231 -5.1007 -4.2352 -4.1997 -4.1591 -4.1148 -3.9662 -3.9131 -3.8267 -3.4741 -3.4254 -3.3835 -3.3359 -3.3296 -3.3036 -3.2887 -3.1943 -3.1797 -3.1078 -3.0771 -1.4950 -1.3422 4.2784 4.3016 6.6648 6.7222 7.2778 7.3216 8.0749 8.0815 9.1235 9.1848 9.2169 9.2313 11.5417 11.5763 13.8728 13.9183 15.9037 15.9197 16.8270 16.8965 k = 0.2212 0.1277-0.0000 ( 2084 PWs) bands (ev): -5.3713 -5.2516 -5.1313 -5.1065 -4.2343 -4.1981 -4.1555 -4.1076 -3.9523 -3.8970 -3.8240 -3.4722 -3.4228 -3.3828 -3.3311 -3.3238 -3.2979 -3.2853 -3.1920 -3.1694 -3.0901 -3.0489 -1.4775 -1.3228 4.3159 4.3394 6.5463 6.6048 7.1819 7.2264 8.0313 8.0380 9.0854 9.1492 9.1903 9.2048 11.6299 11.6660 13.9490 13.9929 15.8345 15.8502 16.7814 16.8540 k = 0.2308 0.1332-0.0000 ( 2080 PWs) bands (ev): -5.3732 -5.2518 -5.1396 -5.1124 -4.2334 -4.1967 -4.1519 -4.1004 -3.9389 -3.8865 -3.8156 -3.4704 -3.4204 -3.3823 -3.3266 -3.3194 -3.2909 -3.2818 -3.1909 -3.1620 -3.0663 -3.0164 -1.4598 -1.3035 4.3536 4.3772 6.4298 6.4895 7.0869 7.1320 7.9876 7.9944 9.0458 9.1119 9.1634 9.1780 11.7174 11.7549 14.0200 14.0623 15.7644 15.7796 16.7382 16.8128 k = 0.2404 0.1388-0.0000 ( 2080 PWs) bands (ev): -5.3750 -5.2525 -5.1479 -5.1183 -4.2325 -4.1953 -4.1484 -4.0935 -3.9261 -3.8814 -3.8016 -3.4687 -3.4183 -3.3822 -3.3223 -3.3160 -3.2830 -3.2784 -3.1907 -3.1568 -3.0375 -2.9803 -1.4420 -1.2846 4.3913 4.4148 6.3158 6.3768 6.9928 7.0384 7.9440 7.9509 9.0045 9.0728 9.1364 9.1509 11.8039 11.8430 14.0852 14.1258 15.6944 15.7091 16.6961 16.7714 k = 0.2500 0.1443-0.0000 ( 2080 PWs) bands (ev): -5.3767 -5.2534 -5.1562 -5.1244 -4.2315 -4.1941 -4.1449 -4.0868 -3.9139 -3.8798 -3.7842 -3.4671 -3.4164 -3.3823 -3.3183 -3.3131 -3.2751 -3.2747 -3.1908 -3.1528 -3.0047 -2.9410 -1.4242 -1.2660 4.4285 4.4516 6.2048 6.2671 6.9000 6.9461 7.9007 7.9076 8.9615 9.0320 9.1093 9.1237 11.8895 11.9300 14.1442 14.1829 15.6256 15.6397 16.6543 16.7289 k = 0.2596 0.1499-0.0000 ( 2076 PWs) bands (ev): -5.3783 -5.2547 -5.1644 -5.1305 -4.2305 -4.1930 -4.1414 -4.0805 -3.9023 -3.8797 -3.7652 -3.4655 -3.4147 -3.3824 -3.3144 -3.3106 -3.2719 -3.2664 -3.1911 -3.1494 -2.9684 -2.8989 -1.4066 -1.2479 4.4647 4.4871 6.0974 6.1611 6.8087 6.8552 7.8578 7.8648 8.9170 8.9894 9.0821 9.0964 11.9741 12.0159 14.1964 14.2333 15.5588 15.5722 16.6123 16.6846 k = 0.2692 0.1554-0.0000 ( 2074 PWs) bands (ev): -5.3798 -5.2563 -5.1725 -5.1366 -4.2295 -4.1920 -4.1380 -4.0746 -3.8914 -3.8801 -3.7459 -3.4641 -3.4132 -3.3827 -3.3107 -3.3082 -3.2688 -3.2581 -3.1915 -3.1463 -2.9291 -2.8543 -1.3893 -1.2305 4.4994 4.5207 5.9942 6.0595 6.7192 6.7662 7.8154 7.8225 8.8709 8.9452 9.0551 9.0693 12.0574 12.1006 14.2415 14.2765 15.4947 15.5073 16.5697 16.6384 k = 0.2788 0.1610-0.0000 ( 2070 PWs) bands (ev): -5.3813 -5.2583 -5.1804 -5.1428 -4.2284 -4.1912 -4.1347 -4.0692 -3.8811 -3.8803 -3.7268 -3.4628 -3.4117 -3.3830 -3.3071 -3.3059 -3.2659 -3.2501 -3.1917 -3.1434 -2.8871 -2.8075 -1.3724 -1.2138 4.5316 4.5515 5.8960 5.9629 6.6320 6.6794 7.7737 7.7808 8.8234 8.8994 9.0284 9.0423 12.1396 12.1841 14.2791 14.3122 15.4340 15.4456 16.5265 16.5905 k = 0.2885 0.1665-0.0000 ( 2070 PWs) bands (ev): -5.3826 -5.2606 -5.1881 -5.1489 -4.2273 -4.1905 -4.1314 -4.0644 -3.8802 -3.8715 -3.7083 -3.4616 -3.4103 -3.3834 -3.3036 -3.3036 -3.2631 -3.2425 -3.1917 -3.1405 -2.8427 -2.7586 -1.3562 -1.1981 4.5606 4.5785 5.8035 5.8721 6.5475 6.5953 7.7328 7.7399 8.7746 8.8521 9.0019 9.0156 12.2205 12.2662 14.3091 14.3402 15.3769 15.3875 16.4829 16.5413 k = 0.2981 0.1721-0.0000 ( 2070 PWs) bands (ev): -5.3838 -5.2633 -5.1954 -5.1551 -4.2262 -4.1899 -4.1282 -4.0603 -3.8796 -3.8625 -3.6905 -3.4606 -3.4089 -3.3838 -3.3013 -3.3002 -3.2606 -3.2355 -3.1912 -3.1376 -2.7961 -2.7079 -1.3408 -1.1835 4.5851 4.6008 5.7178 5.7882 6.4661 6.5145 7.6929 7.6999 8.7245 8.8034 8.9758 8.9892 12.2999 12.3468 14.3313 14.3606 15.3239 15.3333 16.4393 16.4914 k = 0.3077 0.1776-0.0000 ( 2074 PWs) bands (ev): -5.3849 -5.2665 -5.2024 -5.1612 -4.2251 -4.1895 -4.1251 -4.0568 -3.8783 -3.8542 -3.6736 -3.4598 -3.4076 -3.3842 -3.2989 -3.2969 -3.2582 -3.2293 -3.1901 -3.1347 -2.7475 -2.6555 -1.3264 -1.1701 4.6040 4.6170 5.6398 5.7118 6.3885 6.4375 7.6539 7.6609 8.6733 8.7533 8.9503 8.9633 12.3779 12.4258 14.3459 14.3735 15.2751 15.2833 16.3958 16.4416 k = 0.3173 0.1832-0.0000 ( 2074 PWs) bands (ev): -5.3859 -5.2700 -5.2089 -5.1672 -4.2240 -4.1892 -4.1221 -4.0540 -3.8764 -3.8465 -3.6574 -3.4591 -3.4062 -3.3846 -3.2966 -3.2936 -3.2559 -3.2242 -3.1881 -3.1318 -2.6970 -2.6018 -1.3131 -1.1581 4.6158 4.6261 5.5705 5.6438 6.3155 6.3652 7.6162 7.6231 8.6212 8.7020 8.9253 8.9380 12.4542 12.5031 14.3533 14.3792 15.2304 15.2373 16.3532 16.3925 k = 0.3269 0.1887-0.0000 ( 2070 PWs) bands (ev): -5.3867 -5.2739 -5.2149 -5.1731 -4.2228 -4.1891 -4.1191 -4.0518 -3.8738 -3.8395 -3.6422 -3.4587 -3.4049 -3.3850 -3.2941 -3.2904 -3.2538 -3.2203 -3.1850 -3.1289 -2.6450 -2.5469 -1.3011 -1.1476 4.6193 4.6269 5.5106 5.5844 6.2478 6.2985 7.5797 7.5866 8.5683 8.6498 8.9011 8.9134 12.5289 12.5786 14.3538 14.3781 15.1898 15.1954 16.3117 16.3448 k = 0.3365 0.1943-0.0000 ( 2070 PWs) bands (ev): -5.3874 -5.2783 -5.2204 -5.1790 -4.2217 -4.1890 -4.1162 -4.0504 -3.8707 -3.8330 -3.6278 -3.4584 -3.4036 -3.3853 -3.2916 -3.2872 -3.2518 -3.2176 -3.1809 -3.1261 -2.5916 -2.4910 -1.2907 -1.1388 4.6138 4.6191 5.4601 5.5334 6.1865 6.2385 7.5446 7.5514 8.5148 8.5966 8.8777 8.8895 12.6017 12.6520 14.3481 14.3711 15.1528 15.1571 16.2718 16.2991 k = 0.3462 0.1999-0.0000 ( 2070 PWs) bands (ev): -5.3879 -5.2830 -5.2253 -5.1847 -4.2205 -4.1891 -4.1134 -4.0494 -3.8671 -3.8271 -3.6143 -3.4584 -3.4022 -3.3857 -3.2891 -3.2841 -3.2500 -3.2159 -3.1761 -3.1233 -2.5371 -2.4343 -1.2819 -1.1319 4.5992 4.6028 5.4183 5.4899 6.1328 6.1864 7.5110 7.5176 8.4608 8.5427 8.8552 8.8665 12.6726 12.7234 14.3369 14.3587 15.1191 15.1221 16.2339 16.2559 k = 0.3558 0.2054-0.0000 ( 2070 PWs) bands (ev): -5.3882 -5.2881 -5.2297 -5.1902 -4.2194 -4.1893 -4.1106 -4.0491 -3.8630 -3.8218 -3.6016 -3.4586 -3.4009 -3.3860 -3.2866 -3.2810 -3.2484 -3.2150 -3.1707 -3.1205 -2.4818 -2.3772 -1.2750 -1.1271 4.5763 4.5786 5.3835 5.4519 6.0878 6.1432 7.4789 7.4854 8.4069 8.4883 8.8336 8.8444 12.7415 12.7925 14.3212 14.3420 15.0882 15.0899 16.1983 16.2154 k = 0.3654 0.2110-0.0000 ( 2074 PWs) bands (ev): -5.3884 -5.2935 -5.2335 -5.1956 -4.2182 -4.1896 -4.1079 -4.0493 -3.8587 -3.8171 -3.5897 -3.4590 -3.3997 -3.3862 -3.2840 -3.2780 -3.2469 -3.2147 -3.1650 -3.1179 -2.4258 -2.3200 -1.2700 -1.1245 4.5464 4.5482 5.3533 5.4173 6.0525 6.1099 7.4486 7.4549 8.3531 8.4338 8.8131 8.8233 12.8082 12.8593 14.3017 14.3218 15.0596 15.0602 16.1650 16.1780 k = 0.3750 0.2165-0.0000 ( 2068 PWs) bands (ev): -5.3883 -5.2990 -5.2368 -5.2008 -4.2170 -4.1899 -4.1052 -4.0498 -3.8541 -3.8130 -3.5785 -3.4596 -3.3984 -3.3864 -3.2813 -3.2750 -3.2454 -3.2147 -3.1593 -3.1154 -2.3696 -2.2628 -1.2670 -1.1242 4.5116 4.5133 5.3255 5.3843 6.0277 6.0870 7.4200 7.4261 8.2999 8.3793 8.7938 8.8035 12.8726 12.9235 14.2793 14.2989 15.0327 15.0331 16.1344 16.1437 k = 0.3846 0.2221-0.0000 ( 2064 PWs) bands (ev): -5.3880 -5.3047 -5.2397 -5.2058 -4.2158 -4.1904 -4.1026 -4.0506 -3.8493 -3.8093 -3.5681 -3.4604 -3.3973 -3.3866 -3.2787 -3.2721 -3.2441 -3.2150 -3.1536 -3.1131 -2.3132 -2.2060 -1.2662 -1.1263 4.4739 4.4757 5.2981 5.3511 6.0136 6.0742 7.3932 7.3992 8.2475 8.3253 8.7756 8.7846 12.9347 12.9851 14.2548 14.2740 15.0069 15.0082 16.1065 16.1128 k = 0.3942 0.2276-0.0000 ( 2064 PWs) bands (ev): -5.3875 -5.3105 -5.2422 -5.2106 -4.2146 -4.1910 -4.1000 -4.0518 -3.8445 -3.8062 -3.5584 -3.4614 -3.3961 -3.3868 -3.2761 -3.2693 -3.2429 -3.2155 -3.1481 -3.1110 -2.2572 -2.1500 -1.2675 -1.1309 4.4349 4.4369 5.2699 5.3173 6.0094 6.0707 7.3683 7.3740 8.1965 8.2720 8.7586 8.7670 12.9941 13.0437 14.2289 14.2478 14.9828 14.9848 16.0813 16.0850 k = 0.4038 0.2332-0.0000 ( 2060 PWs) bands (ev): -5.3867 -5.3162 -5.2442 -5.2152 -4.2134 -4.1916 -4.0975 -4.0532 -3.8397 -3.8036 -3.5493 -3.4626 -3.3951 -3.3869 -3.2736 -3.2666 -3.2418 -3.2161 -3.1428 -3.1090 -2.2017 -2.0953 -1.2708 -1.1381 4.3962 4.3983 5.2409 5.2828 6.0140 6.0749 7.3455 7.3509 8.1473 8.2198 8.7429 8.7506 13.0509 13.0993 14.2022 14.2209 14.9603 14.9628 16.0589 16.0606 k = 0.4135 0.2387-0.0000 ( 2060 PWs) bands (ev): -5.3857 -5.3219 -5.2459 -5.2195 -4.2122 -4.1924 -4.0950 -4.0548 -3.8349 -3.8015 -3.5409 -3.4641 -3.3941 -3.3870 -3.2711 -3.2641 -3.2408 -3.2169 -3.1377 -3.1074 -2.1473 -2.0423 -1.2761 -1.1478 4.3590 4.3612 5.2113 5.2481 6.0257 6.0852 7.3246 7.3297 8.1004 8.1692 8.7286 8.7356 13.1048 13.1515 14.1753 14.1938 14.9393 14.9423 16.0390 16.0392 k = 0.4231 0.2443-0.0000 ( 2064 PWs) bands (ev): -5.3845 -5.3275 -5.2472 -5.2236 -4.2110 -4.1932 -4.0926 -4.0566 -3.8304 -3.7999 -3.5331 -3.4658 -3.3933 -3.3872 -3.2687 -3.2618 -3.2398 -3.2179 -3.1330 -3.1061 -2.0941 -1.9916 -1.2830 -1.1601 4.3241 4.3263 5.1821 5.2141 6.0426 6.0996 7.3058 7.3105 8.0564 8.1208 8.7157 8.7220 13.1555 13.2000 14.1488 14.1670 14.9199 14.9232 16.0208 16.0217 k = 0.4327 0.2498-0.0000 ( 2064 PWs) bands (ev): -5.3830 -5.3329 -5.2481 -5.2273 -4.2097 -4.1940 -4.0902 -4.0586 -3.8260 -3.7987 -3.5258 -3.4677 -3.3924 -3.3873 -3.2663 -3.2597 -3.2387 -3.2190 -3.1286 -3.1051 -2.0428 -1.9440 -1.2911 -1.1746 4.2923 4.2944 5.1541 5.1817 6.0631 6.1164 7.2892 7.2935 8.0159 8.0751 8.7044 8.7099 13.2028 13.2445 14.1232 14.1410 14.9024 14.9057 16.0052 16.0068 k = 0.4423 0.2554-0.0000 ( 2066 PWs) bands (ev): -5.3812 -5.3381 -5.2487 -5.2308 -4.2085 -4.1950 -4.0878 -4.0606 -3.8218 -3.7980 -3.5191 -3.4698 -3.3917 -3.3875 -3.2642 -3.2579 -3.2377 -3.2202 -3.1245 -3.1044 -1.9939 -1.9005 -1.2996 -1.1913 4.2640 4.2660 5.1282 5.1516 6.0854 6.1339 7.2747 7.2786 7.9796 8.0328 8.6944 8.6992 13.2463 13.2845 14.0991 14.1161 14.8868 14.8900 15.9922 15.9942 k = 0.4519 0.2609-0.0000 ( 2066 PWs) bands (ev): -5.3792 -5.3432 -5.2490 -5.2341 -4.2073 -4.1960 -4.0854 -4.0627 -3.8179 -3.7978 -3.5129 -3.4722 -3.3910 -3.3876 -3.2621 -3.2564 -3.2366 -3.2215 -3.1208 -3.1040 -1.9479 -1.8621 -1.3078 -1.2097 4.2397 4.2414 5.1053 5.1246 6.1080 6.1505 7.2625 7.2659 7.9483 7.9944 8.6860 8.6900 13.2855 13.3195 14.0771 14.0929 14.8733 14.8763 15.9816 15.9837 k = 0.4615 0.2665-0.0000 ( 2066 PWs) bands (ev): -5.3768 -5.3480 -5.2490 -5.2370 -4.2061 -4.1970 -4.0830 -4.0648 -3.8143 -3.7980 -3.5071 -3.4748 -3.3904 -3.3878 -3.2603 -3.2553 -3.2353 -3.2229 -3.1174 -3.1040 -1.9057 -1.8303 -1.3145 -1.2293 4.2195 4.2210 5.0861 5.1014 6.1296 6.1651 7.2526 7.2554 7.9225 7.9607 8.6792 8.6824 13.3200 13.3488 14.0581 14.0720 14.8621 14.8647 15.9733 15.9753 k = 0.4712 0.2720-0.0000 ( 2062 PWs) bands (ev): -5.3742 -5.3526 -5.2486 -5.2396 -4.2049 -4.1980 -4.0807 -4.0670 -3.8109 -3.7986 -3.5018 -3.4777 -3.3899 -3.3879 -3.2586 -3.2546 -3.2339 -3.2243 -3.1143 -3.1043 -1.8681 -1.8066 -1.3182 -1.2494 4.2037 4.2049 5.0710 5.0824 6.1488 6.1764 7.2450 7.2471 7.9029 7.9324 8.6739 8.6763 13.3489 13.3717 14.0427 14.0540 14.8533 14.8554 15.9670 15.9687 k = 0.4808 0.2776-0.0000 ( 2062 PWs) bands (ev): -5.3713 -5.3569 -5.2479 -5.2419 -4.2037 -4.1991 -4.0784 -4.0692 -3.8079 -3.7997 -3.4969 -3.4809 -3.3895 -3.3882 -3.2571 -3.2544 -3.2324 -3.2259 -3.1117 -3.1050 -1.8362 -1.7923 -1.3177 -1.2689 4.1924 4.1932 5.0604 5.0681 6.1648 6.1837 7.2396 7.2410 7.8900 7.9102 8.6703 8.6719 13.3716 13.3874 14.0317 14.0398 14.8471 14.8485 15.9628 15.9640 k = 0.4904 0.2831-0.0000 ( 2066 PWs) bands (ev): -5.3681 -5.3609 -5.2469 -5.2439 -4.2025 -4.2002 -4.0761 -4.0715 -3.8053 -3.8012 -3.4924 -3.4844 -3.3890 -3.3884 -3.2560 -3.2546 -3.2309 -3.2276 -3.1095 -3.1062 -1.8114 -1.7884 -1.3122 -1.2868 4.1857 4.1861 5.0547 5.0585 6.1767 6.1863 7.2365 7.2372 7.8843 7.8945 8.6683 8.6691 13.3873 13.3954 14.0257 14.0300 14.8435 14.8442 15.9603 15.9610 k = 0.5000 0.2887-0.0000 ( 2068 PWs) bands (ev): -5.3647 -5.3647 -5.2455 -5.2455 -4.2014 -4.2014 -4.0738 -4.0738 -3.8031 -3.8031 -3.4882 -3.4882 -3.3887 -3.3887 -3.2551 -3.2551 -3.2292 -3.2292 -3.1076 -3.1076 -1.7950 -1.7950 -1.3017 -1.3017 4.1836 4.1836 5.0541 5.0541 6.1840 6.1840 7.2357 7.2357 7.8857 7.8857 8.6679 8.6679 13.3954 13.3954 14.0251 14.0251 14.8425 14.8425 15.9598 15.9598 k = 0.5000 0.2887-0.0000 ( 2068 PWs) bands (ev): -5.3647 -5.3647 -5.2455 -5.2455 -4.2014 -4.2014 -4.0738 -4.0738 -3.8031 -3.8031 -3.4882 -3.4882 -3.3887 -3.3887 -3.2551 -3.2551 -3.2292 -3.2292 -3.1076 -3.1076 -1.7950 -1.7950 -1.3017 -1.3017 4.1836 4.1836 5.0541 5.0541 6.1840 6.1840 7.2357 7.2357 7.8857 7.8857 8.6679 8.6679 13.3954 13.3954 14.0251 14.0251 14.8425 14.8425 15.9598 15.9598 k = 0.4944 0.2983-0.0000 ( 2072 PWs) bands (ev): -5.3657 -5.3635 -5.2508 -5.2401 -4.2023 -4.2004 -4.0741 -4.0734 -3.8162 -3.7901 -3.4969 -3.4797 -3.3903 -3.3872 -3.2552 -3.2551 -3.2303 -3.2282 -3.1094 -3.1062 -1.7945 -1.7942 -1.3034 -1.2989 4.1843 4.1848 5.0541 5.0548 6.1832 6.1858 7.2264 7.2366 7.8844 7.8855 8.6636 8.6644 13.3993 13.4002 14.0296 14.0334 14.8418 14.8422 15.9592 15.9593 k = 0.4889 0.3079-0.0000 ( 2072 PWs) bands (ev): -5.3667 -5.3624 -5.2559 -5.2345 -4.2030 -4.1993 -4.0745 -4.0730 -3.8294 -3.7773 -3.5056 -3.4715 -3.3921 -3.3858 -3.2551 -3.2550 -3.2312 -3.2271 -3.1115 -3.1051 -1.7925 -1.7920 -1.3041 -1.2952 4.1870 4.1879 5.0547 5.0561 6.1833 6.1886 7.2088 7.2292 7.8817 7.8840 8.6518 8.6532 13.4120 13.4138 14.0468 14.0543 14.8401 14.8411 15.9577 15.9579 k = 0.4833 0.3175-0.0000 ( 2074 PWs) bands (ev): -5.3677 -5.3612 -5.2608 -5.2287 -4.2035 -4.1980 -4.0748 -4.0727 -3.8427 -3.7647 -3.5143 -3.4634 -3.3939 -3.3844 -3.2551 -3.2548 -3.2321 -3.2261 -3.1138 -3.1043 -1.7891 -1.7884 -1.3039 -1.2905 4.1916 4.1929 5.0560 5.0581 6.1843 6.1925 7.1832 7.2138 7.8777 7.8810 8.6326 8.6347 13.4333 13.4359 14.0764 14.0875 14.8376 14.8390 15.9551 15.9555 k = 0.4778 0.3272-0.0000 ( 2076 PWs) bands (ev): -5.3686 -5.3600 -5.2654 -5.2229 -4.2039 -4.1966 -4.0750 -4.0723 -3.8559 -3.7525 -3.5231 -3.4557 -3.3957 -3.3831 -3.2550 -3.2546 -3.2329 -3.2250 -3.1165 -3.1039 -1.7843 -1.7834 -1.3026 -1.2849 4.1981 4.1998 5.0579 5.0607 6.1859 6.1972 7.1500 7.1909 7.8722 7.8765 8.6066 8.6091 13.4627 13.4663 14.1180 14.1325 14.8342 14.8360 15.9516 15.9521 k = 0.4722 0.3368-0.0000 ( 2076 PWs) bands (ev): -5.3693 -5.3589 -5.2698 -5.2169 -4.2042 -4.1950 -4.0752 -4.0719 -3.8691 -3.7407 -3.5317 -3.4483 -3.3976 -3.3819 -3.2550 -3.2543 -3.2336 -3.2240 -3.1194 -3.1039 -1.7781 -1.7771 -1.3005 -1.2784 4.2066 4.2087 5.0603 5.0638 6.1878 6.2027 7.1099 7.1613 7.8653 7.8705 8.5741 8.5768 13.4999 13.5043 14.1712 14.1888 14.8299 14.8320 15.9472 15.9477 k = 0.4667 0.3464-0.0000 ( 2076 PWs) bands (ev): -5.3700 -5.3577 -5.2740 -5.2108 -4.2043 -4.1934 -4.0754 -4.0716 -3.8821 -3.7293 -3.5402 -3.4413 -3.3995 -3.3807 -3.2548 -3.2540 -3.2342 -3.2229 -3.1226 -3.1042 -1.7705 -1.7695 -1.2975 -1.2712 4.2169 4.2195 5.0633 5.0675 6.1897 6.2085 7.0640 7.1259 7.8569 7.8629 8.5357 8.5384 13.5444 13.5496 14.2353 14.2557 14.8247 14.8269 15.9416 15.9423 k = 0.4611 0.3560-0.0000 ( 2075 PWs) bands (ev): -5.3706 -5.3566 -5.2779 -5.2047 -4.2042 -4.1917 -4.0754 -4.0712 -3.8949 -3.7186 -3.5483 -3.4348 -3.4014 -3.3797 -3.2547 -3.2536 -3.2346 -3.2219 -3.1260 -3.1048 -1.7615 -1.7607 -1.2937 -1.2632 4.2292 4.2322 5.0667 5.0715 6.1910 6.2143 7.0132 7.0859 7.8470 7.8537 8.4922 8.4945 13.5955 13.6016 14.3095 14.3322 14.8185 14.8209 15.9350 15.9358 k = 0.4556 0.3657-0.0000 ( 2075 PWs) bands (ev): -5.3710 -5.3555 -5.2816 -5.1986 -4.2040 -4.1899 -4.0753 -4.0709 -3.9075 -3.7085 -3.5560 -3.4290 -3.4030 -3.3787 -3.2545 -3.2532 -3.2349 -3.2209 -3.1295 -3.1058 -1.7512 -1.7506 -1.2892 -1.2546 4.2434 4.2469 5.0705 5.0759 6.1910 6.2194 6.9590 7.0427 7.8355 7.8426 8.4442 8.4458 13.6525 13.6595 14.3930 14.4175 14.8114 14.8139 15.9274 15.9282 k = 0.4500 0.3753-0.0000 ( 2079 PWs) bands (ev): -5.3714 -5.3546 -5.2851 -5.1926 -4.2038 -4.1881 -4.0751 -4.0706 -3.9198 -3.6992 -3.5631 -3.4243 -3.4041 -3.3778 -3.2542 -3.2527 -3.2350 -3.2199 -3.1333 -3.1070 -1.7395 -1.7393 -1.2842 -1.2456 4.2596 4.2635 5.0745 5.0805 6.1888 6.2229 6.9030 6.9979 7.8225 7.8297 8.3926 8.3930 13.7149 13.7228 14.4846 14.5105 14.8034 14.8060 15.9187 15.9195 k = 0.4444 0.3849-0.0000 ( 2075 PWs) bands (ev): -5.3717 -5.3537 -5.2883 -5.1865 -4.2034 -4.1864 -4.0748 -4.0702 -3.9316 -3.6909 -3.5694 -3.4213 -3.4039 -3.3770 -3.2539 -3.2521 -3.2350 -3.2189 -3.1371 -3.1086 -1.7270 -1.7267 -1.2787 -1.2361 4.2776 4.2820 5.0788 5.0853 6.1833 6.2233 6.8474 6.9534 7.8077 7.8149 8.3368 8.3381 13.7819 13.7907 14.5834 14.6096 14.7948 14.7975 15.9089 15.9098 k = 0.4389 0.3945-0.0000 ( 2071 PWs) bands (ev): -5.3719 -5.3529 -5.2913 -5.1806 -4.2028 -4.1846 -4.0742 -4.0699 -3.9431 -3.6839 -3.5746 -3.4206 -3.4019 -3.3762 -3.2534 -3.2515 -3.2348 -3.2178 -3.1410 -3.1104 -1.7135 -1.7126 -1.2729 -1.2265 4.2976 4.3024 5.0830 5.0900 6.1731 6.2188 6.7949 6.9113 7.7912 7.7979 8.2780 8.2816 13.8527 13.8625 14.6875 14.7113 14.7861 14.7912 15.8981 15.8989 k = 0.4333 0.4041-0.0000 ( 2075 PWs) bands (ev): -5.3720 -5.3523 -5.2942 -5.1748 -4.2022 -4.1829 -4.0736 -4.0696 -3.9542 -3.6783 -3.5784 -3.4217 -3.3987 -3.3755 -3.2528 -3.2509 -3.2345 -3.2167 -3.1451 -3.1126 -1.6990 -1.6974 -1.2669 -1.2167 4.3195 4.3247 5.0871 5.0945 6.1568 6.2069 6.7486 6.8739 7.7730 7.7787 8.2174 8.2238 13.9267 13.9376 14.7649 14.7665 14.8067 14.8365 15.8861 15.8868 k = 0.4278 0.4138-0.0000 ( 2071 PWs) bands (ev): -5.3720 -5.3518 -5.2967 -5.1692 -4.2015 -4.1814 -4.0727 -4.0692 -3.9647 -3.6745 -3.5805 -3.4239 -3.3949 -3.3749 -3.2521 -3.2502 -3.2341 -3.2156 -3.1491 -3.1149 -1.6835 -1.6810 -1.2608 -1.2070 4.3433 4.3490 5.0909 5.0988 6.1329 6.1852 6.7118 6.8433 7.7529 7.7571 8.1555 8.1657 14.0032 14.0152 14.7577 14.7602 14.9159 14.9451 15.8732 15.8738 k = 0.4222 0.4234-0.0000 ( 2075 PWs) bands (ev): -5.3719 -5.3514 -5.2991 -5.1638 -4.2008 -4.1800 -4.0716 -4.0689 -3.9748 -3.6724 -3.5809 -3.4267 -3.3911 -3.3744 -3.2512 -3.2495 -3.2336 -3.2144 -3.1531 -3.1176 -1.6671 -1.6637 -1.2550 -1.1974 4.3690 4.3752 5.0943 5.1025 6.1007 6.1518 6.6868 6.8208 7.7309 7.7331 8.0932 8.1078 14.0813 14.0947 14.7455 14.7488 15.0321 15.0596 15.8593 15.8597 k = 0.4167 0.4330-0.0000 ( 2075 PWs) bands (ev): -5.3717 -5.3511 -5.3014 -5.1586 -4.1999 -4.1788 -4.0703 -4.0685 -3.9843 -3.6721 -3.5795 -3.4298 -3.3875 -3.3739 -3.2501 -3.2487 -3.2330 -3.2131 -3.1571 -3.1204 -1.6498 -1.6455 -1.2494 -1.1883 4.3966 4.4032 5.0971 5.1055 6.0601 6.1068 6.6744 6.8075 7.7067 7.7071 8.0311 8.0510 14.1605 14.1754 14.7322 14.7368 15.1497 15.1752 15.8448 15.8449 k = 0.4111 0.4426-0.0000 ( 2075 PWs) bands (ev): -5.3715 -5.3510 -5.3034 -5.1536 -4.1990 -4.1778 -4.0689 -4.0681 -3.9931 -3.6732 -3.5766 -3.4333 -3.3841 -3.3734 -3.2489 -3.2480 -3.2323 -3.2118 -3.1610 -3.1234 -1.6317 -1.6264 -1.2443 -1.1796 4.4261 4.4332 5.0990 5.1076 6.0117 6.0518 6.6736 6.8032 7.6779 7.6814 7.9697 7.9956 14.2397 14.2565 14.7184 14.7248 15.2667 15.2896 15.8296 15.8300 k = 0.4056 0.4523-0.0000 ( 2077 PWs) bands (ev): -5.3712 -5.3510 -5.3054 -5.1490 -4.1981 -4.1770 -4.0678 -4.0673 -4.0014 -3.6754 -3.5725 -3.4369 -3.3811 -3.3730 -3.2475 -3.2472 -3.2316 -3.2105 -3.1647 -3.1266 -1.6129 -1.6065 -1.2399 -1.1715 4.4575 4.4650 5.0999 5.1086 5.9569 5.9894 6.6825 6.8072 7.6470 7.6539 7.9095 7.9421 14.3180 14.3370 14.7049 14.7136 15.3807 15.4003 15.8150 15.8163 k = 0.4000 0.4619-0.0000 ( 2083 PWs) bands (ev): -5.3708 -5.3511 -5.3072 -5.1447 -4.1971 -4.1765 -4.0674 -4.0656 -4.0090 -3.6782 -3.5676 -3.4408 -3.3784 -3.3727 -3.2464 -3.2459 -3.2308 -3.2092 -3.1682 -3.1299 -1.5934 -1.5860 -1.2364 -1.1643 4.4906 4.4986 5.0996 5.1082 5.8972 5.9220 6.6990 6.8186 7.6144 7.6250 7.8510 7.8906 14.3935 14.4155 14.6929 14.7048 15.4872 15.5024 15.8037 15.8065 k = 0.3944 0.4715-0.0000 ( 2075 PWs) bands (ev): -5.3703 -5.3514 -5.3088 -5.1407 -4.1961 -4.1761 -4.0669 -4.0638 -4.0160 -3.6814 -3.5622 -3.4448 -3.3759 -3.3723 -3.2455 -3.2441 -3.2300 -3.2081 -3.1713 -3.1333 -1.5734 -1.5650 -1.2340 -1.1581 4.5256 4.5340 5.0979 5.1064 5.8343 5.8520 6.7216 6.8362 7.5810 7.5950 7.7945 7.8411 14.4630 14.4889 14.6854 14.7014 15.5770 15.5863 15.8036 15.8093 k = 0.3889 0.4811-0.0000 ( 2075 PWs) bands (ev): -5.3698 -5.3517 -5.3104 -5.1370 -4.1950 -4.1759 -4.0664 -4.0620 -4.0223 -3.6846 -3.5564 -3.4490 -3.3739 -3.3720 -3.2447 -3.2421 -3.2291 -3.2072 -3.1740 -3.1368 -1.5529 -1.5436 -1.2327 -1.1530 4.5624 4.5711 5.0946 5.1029 5.7696 5.7810 6.7489 6.8592 7.5472 7.5642 7.7399 7.7931 14.5197 14.5485 14.6908 14.7100 15.6311 15.6340 15.8318 15.8408 k = 0.3833 0.4907-0.0000 ( 2079 PWs) bands (ev): -5.3692 -5.3522 -5.3118 -5.1338 -4.1939 -4.1760 -4.0658 -4.0602 -4.0280 -3.6877 -3.5504 -3.4533 -3.3722 -3.3717 -3.2438 -3.2401 -3.2282 -3.2066 -3.1762 -3.1404 -1.5320 -1.5220 -1.2329 -1.1492 4.6008 4.6098 5.0895 5.0975 5.7045 5.7106 6.7801 6.8867 7.5142 7.5332 7.6872 7.7464 14.5540 14.5788 14.7245 14.7399 15.6416 15.6416 15.8947 15.9033 k = 0.3778 0.5004-0.0000 ( 2079 PWs) bands (ev): -5.3685 -5.3528 -5.3132 -5.1309 -4.1927 -4.1762 -4.0652 -4.0585 -4.0331 -3.6907 -3.5444 -3.4578 -3.3715 -3.3708 -3.2429 -3.2379 -3.2274 -3.2066 -3.1776 -3.1440 -1.5108 -1.5003 -1.2347 -1.1467 4.6407 4.6500 5.0825 5.0901 5.6403 5.6418 6.8144 6.9180 7.4826 7.5025 7.6365 7.7005 14.5660 14.5826 14.7838 14.7913 15.6273 15.6277 15.9715 15.9774 k = 0.3722 0.5100-0.0000 ( 2083 PWs) bands (ev): -5.3678 -5.3534 -5.3145 -5.1284 -4.1916 -4.1766 -4.0646 -4.0569 -4.0375 -3.6933 -3.5383 -3.4625 -3.3712 -3.3697 -3.2420 -3.2356 -3.2265 -3.2071 -3.1782 -3.1476 -1.4895 -1.4788 -1.2383 -1.1456 4.6821 4.6914 5.0735 5.0806 5.5758 5.5780 6.8515 6.9525 7.4533 7.4724 7.5879 7.6552 14.5653 14.5760 14.8524 14.8542 15.6029 15.6029 16.0469 16.0499 k = 0.3667 0.5196-0.0000 ( 2079 PWs) bands (ev): -5.3670 -5.3542 -5.3156 -5.1263 -4.1904 -4.1772 -4.0639 -4.0554 -4.0414 -3.6955 -3.5322 -3.4672 -3.3709 -3.3689 -3.2411 -3.2333 -3.2257 -3.2082 -3.1780 -3.1511 -1.4682 -1.4577 -1.2437 -1.1459 4.7246 4.7339 5.0625 5.0690 5.5136 5.5185 6.8908 6.9899 7.4267 7.4426 7.5421 7.6103 14.5595 14.5665 14.9212 14.9230 15.5720 15.5726 16.1150 16.1154 k = 0.3611 0.5292-0.0000 ( 2079 PWs) bands (ev): -5.3661 -5.3550 -5.3166 -5.1245 -4.1892 -4.1779 -4.0632 -4.0542 -4.0446 -3.6974 -3.5263 -3.4721 -3.3705 -3.3683 -3.2402 -3.2310 -3.2249 -3.2098 -3.1772 -3.1545 -1.4471 -1.4375 -1.2511 -1.1476 4.7679 4.7769 5.0494 5.0553 5.4561 5.4630 6.9320 7.0298 7.4031 7.4120 7.5006 7.5658 14.5521 14.5566 14.9889 14.9930 15.5367 15.5380 16.1716 16.1731 k = 0.3556 0.5389-0.0000 ( 2079 PWs) bands (ev): -5.3651 -5.3559 -5.3175 -5.1232 -4.1879 -4.1788 -4.0625 -4.0532 -4.0473 -3.6989 -3.5204 -3.4771 -3.3702 -3.3680 -3.2394 -3.2287 -3.2241 -3.2116 -3.1759 -3.1578 -1.4264 -1.4185 -1.2605 -1.1503 4.8115 4.8198 5.0344 5.0396 5.4045 5.4126 6.9747 7.0716 7.3780 7.3820 7.4664 7.5226 14.5447 14.5475 15.0556 15.0612 15.4974 15.4995 16.2172 16.2200 k = 0.3500 0.5485-0.0000 ( 2079 PWs) bands (ev): -5.3641 -5.3569 -5.3183 -5.1221 -4.1867 -4.1797 -4.0618 -4.0524 -4.0494 -3.7000 -3.5146 -3.4821 -3.3698 -3.3679 -3.2388 -3.2266 -3.2233 -3.2136 -3.1743 -3.1609 -1.4067 -1.4014 -1.2715 -1.1539 4.8543 4.8614 5.0175 5.0220 5.3605 5.3687 7.0182 7.1152 7.3389 7.3621 7.4418 7.4822 14.5382 14.5398 15.1205 15.1272 15.4543 15.4574 16.2520 16.2551 k = 0.3444 0.5581-0.0000 ( 2079 PWs) bands (ev): -5.3630 -5.3580 -5.3188 -5.1214 -4.1855 -4.1808 -4.0612 -4.0519 -4.0509 -3.7008 -3.5089 -3.4873 -3.3695 -3.3679 -3.2382 -3.2250 -3.2224 -3.2157 -3.1724 -3.1638 -1.3889 -1.3870 -1.2836 -1.1576 4.8950 4.9000 4.9990 5.0027 5.3260 5.3331 7.0614 7.1596 7.2962 7.3400 7.4265 7.4486 14.5331 14.5339 15.1830 15.1905 15.4077 15.4116 16.2762 16.2789 k = 0.3389 0.5677-0.0000 ( 2073 PWs) bands (ev): -5.3618 -5.3592 -5.3191 -5.1210 -4.1843 -4.1819 -4.0608 -4.0517 -4.0517 -3.7012 -3.5033 -3.4925 -3.3690 -3.3682 -3.2378 -3.2240 -3.2210 -3.2176 -3.1705 -3.1663 -1.3765 -1.3753 -1.2947 -1.1606 4.9314 4.9328 4.9792 4.9821 5.3040 5.3084 7.1005 7.2031 7.2551 7.3126 7.4191 7.4267 14.5299 14.5302 15.2425 15.2510 15.3577 15.3623 16.2904 16.2920 k = 0.3333 0.5774-0.0000 ( 2073 PWs) bands (ev): -5.3605 -5.3605 -5.3193 -5.1209 -4.1831 -4.1831 -4.0606 -4.0518 -4.0518 -3.7013 -3.4979 -3.4979 -3.3686 -3.3686 -3.2377 -3.2238 -3.2193 -3.2193 -3.1685 -3.1685 -1.3710 -1.3710 -1.2997 -1.1618 4.9541 4.9597 4.9611 4.9611 5.2978 5.2978 7.1205 7.2316 7.2316 7.2919 7.4182 7.4182 14.5289 14.5289 15.2886 15.3031 15.3143 15.3143 16.2955 16.2955 k = 0.3333 0.5774-0.0000 ( 2073 PWs) bands (ev): -5.3605 -5.3605 -5.3193 -5.1209 -4.1831 -4.1831 -4.0606 -4.0518 -4.0518 -3.7013 -3.4979 -3.4979 -3.3686 -3.3686 -3.2377 -3.2238 -3.2193 -3.2193 -3.1685 -3.1685 -1.3710 -1.3710 -1.2997 -1.1618 4.9541 4.9597 4.9611 4.9611 5.2978 5.2978 7.1205 7.2316 7.2316 7.2919 7.4182 7.4182 14.5289 14.5289 15.2886 15.3031 15.3143 15.3143 16.2955 16.2955 k = 0.3278 0.5677-0.0000 ( 2081 PWs) bands (ev): -5.3619 -5.3591 -5.3191 -5.1210 -4.1843 -4.1819 -4.0608 -4.0522 -4.0513 -3.7012 -3.5033 -3.4926 -3.3691 -3.3681 -3.2379 -3.2240 -3.2209 -3.2178 -3.1703 -3.1666 -1.3805 -1.3718 -1.2945 -1.1603 4.9356 4.9380 4.9717 4.9796 5.3040 5.3092 7.0984 7.2068 7.2491 7.3179 7.4213 7.4234 14.5301 14.5302 15.2413 15.2511 15.3573 15.3634 16.2906 16.2925 k = 0.3222 0.5581-0.0000 ( 2083 PWs) bands (ev): -5.3634 -5.3576 -5.3188 -5.1213 -4.1856 -4.1807 -4.0610 -4.0528 -4.0503 -3.7009 -3.5088 -3.4874 -3.3697 -3.3676 -3.2383 -3.2246 -3.2222 -3.2163 -3.1716 -3.1647 -1.4008 -1.3795 -1.2822 -1.1556 4.9135 4.9153 4.9762 4.9888 5.3274 5.3374 7.0521 7.1594 7.2900 7.3612 7.4342 7.4344 14.5339 14.5341 15.1791 15.1899 15.4080 15.4144 16.2789 16.2830 k = 0.3167 0.5485-0.0000 ( 2083 PWs) bands (ev): -5.3649 -5.3560 -5.3181 -5.1219 -4.1869 -4.1795 -4.0613 -4.0536 -4.0490 -3.7005 -3.5144 -3.4824 -3.3705 -3.3671 -3.2391 -3.2256 -3.2232 -3.2151 -3.1724 -3.1629 -1.4274 -1.3940 -1.2674 -1.1479 4.8912 4.8927 4.9751 4.9909 5.3653 5.3789 6.9983 7.1065 7.3375 7.4030 7.4506 7.4591 14.5404 14.5405 15.1123 15.1246 15.4562 15.4623 16.2620 16.2681 k = 0.3111 0.5389-0.0000 ( 2087 PWs) bands (ev): -5.3665 -5.3543 -5.3171 -5.1225 -4.1883 -4.1784 -4.0616 -4.0548 -4.0475 -3.6999 -3.5201 -3.4775 -3.3712 -3.3666 -3.2402 -3.2270 -3.2240 -3.2142 -3.1727 -3.1613 -1.4584 -1.4147 -1.2520 -1.1379 4.8693 4.8706 4.9722 4.9898 5.4138 5.4298 6.9412 7.0509 7.3869 7.4381 7.4727 7.4974 14.5497 14.5497 15.0412 15.0551 15.5013 15.5068 16.2410 16.2493 k = 0.3056 0.5292-0.0000 ( 2089 PWs) bands (ev): -5.3681 -5.3524 -5.3159 -5.1234 -4.1896 -4.1773 -4.0618 -4.0561 -4.0458 -3.6994 -3.5258 -3.4728 -3.3721 -3.3660 -3.2415 -3.2287 -3.2247 -3.2134 -3.1726 -3.1598 -1.4930 -1.4408 -1.2371 -1.1265 4.8480 4.8493 4.9701 4.9886 5.4699 5.4875 6.8825 6.9936 7.4356 7.4693 7.5014 7.5453 14.5615 14.5617 14.9659 14.9816 15.5432 15.5479 16.2172 16.2274 k = 0.3000 0.5196-0.0000 ( 2089 PWs) bands (ev): -5.3698 -5.3504 -5.3143 -5.1243 -4.1910 -4.1762 -4.0621 -4.0576 -4.0439 -3.6988 -3.5317 -3.4683 -3.3729 -3.3655 -3.2430 -3.2308 -3.2253 -3.2129 -3.1722 -3.1585 -1.5308 -1.4716 -1.2229 -1.1143 4.8279 4.8293 4.9707 4.9894 5.5313 5.5501 6.8227 6.9351 7.4815 7.5010 7.5381 7.5977 14.5760 14.5765 14.8868 14.9042 15.5818 15.5856 16.1918 16.2038 k = 0.2944 0.5100-0.0000 ( 2087 PWs) bands (ev): -5.3714 -5.3483 -5.3125 -5.1252 -4.1924 -4.1752 -4.0622 -4.0592 -4.0420 -3.6983 -3.5376 -3.4640 -3.3738 -3.3649 -3.2446 -3.2332 -3.2259 -3.2126 -3.1716 -3.1575 -1.5716 -1.5065 -1.2099 -1.1022 4.8092 4.8107 4.9750 4.9935 5.5969 5.6166 6.7622 6.8758 7.5238 7.5351 7.5830 7.6523 14.5929 14.5939 14.8039 14.8230 15.6172 15.6199 16.1655 16.1793 k = 0.2889 0.5004-0.0000 ( 2081 PWs) bands (ev): -5.3731 -5.3460 -5.3103 -5.1262 -4.1938 -4.1743 -4.0624 -4.0610 -4.0399 -3.6979 -3.5436 -3.4598 -3.3747 -3.3644 -3.2463 -3.2358 -3.2265 -3.2124 -3.1707 -3.1566 -1.6150 -1.5451 -1.1982 -1.0904 4.7923 4.7940 4.9835 5.0016 5.6658 5.6862 6.7015 6.8161 7.5642 7.5720 7.6338 7.7082 14.6115 14.6135 14.7184 14.7386 15.6492 15.6506 16.1393 16.1545 k = 0.2833 0.4907-0.0000 ( 2081 PWs) bands (ev): -5.3747 -5.3435 -5.3078 -5.1272 -4.1952 -4.1734 -4.0630 -4.0625 -4.0378 -3.6976 -3.5498 -3.4559 -3.3757 -3.3639 -3.2481 -3.2386 -3.2272 -3.2125 -3.1698 -3.1559 -1.6610 -1.5869 -1.1879 -1.0794 4.7772 4.7793 4.9967 5.0143 5.7374 5.7583 6.6408 6.7563 7.6050 7.6115 7.6878 7.7648 14.6131 14.6293 14.6490 14.6569 15.6777 15.6777 16.1137 16.1302 k = 0.2778 0.4811-0.0000 ( 2085 PWs) bands (ev): -5.3762 -5.3410 -5.3050 -5.1282 -4.1966 -4.1726 -4.0651 -4.0628 -4.0357 -3.6975 -3.5561 -3.4522 -3.3766 -3.3634 -3.2500 -3.2415 -3.2281 -3.2129 -3.1689 -3.1555 -1.7094 -1.6316 -1.1791 -1.0694 4.7644 4.7667 5.0147 5.0316 5.8114 5.8327 6.5806 6.6968 7.6474 7.6536 7.7435 7.8219 14.5298 14.5557 14.6637 14.6638 15.7012 15.7027 16.0892 16.1068 k = 0.2722 0.4715-0.0000 ( 2079 PWs) bands (ev): -5.3777 -5.3382 -5.3019 -5.1291 -4.1980 -4.1719 -4.0673 -4.0630 -4.0335 -3.6975 -3.5625 -3.4487 -3.3775 -3.3629 -3.2520 -3.2446 -3.2291 -3.2134 -3.1679 -3.1553 -1.7599 -1.6789 -1.1720 -1.0607 4.7538 4.7565 5.0376 5.0537 5.8874 5.9089 6.5212 6.6378 7.6916 7.6982 7.8002 7.8794 14.4347 14.4620 14.6896 14.6902 15.7211 15.7240 16.0662 16.0848 k = 0.2667 0.4619-0.0000 ( 2075 PWs) bands (ev): -5.3791 -5.3353 -5.2985 -5.1300 -4.1994 -4.1713 -4.0695 -4.0633 -4.0312 -3.6978 -3.5691 -3.4455 -3.3783 -3.3624 -3.2540 -3.2477 -3.2302 -3.2141 -3.1670 -3.1553 -1.8123 -1.7284 -1.1666 -1.0534 4.7455 4.7486 5.0654 5.0807 5.9651 5.9866 6.4631 6.5799 7.7377 7.7449 7.8574 7.9371 14.3365 14.3652 14.7180 14.7189 15.7371 15.7417 16.0450 16.0645 k = 0.2611 0.4523-0.0000 ( 2075 PWs) bands (ev): -5.3804 -5.3323 -5.2947 -5.1308 -4.2008 -4.1708 -4.0719 -4.0637 -4.0289 -3.6983 -3.5758 -3.4426 -3.3792 -3.3621 -3.2562 -3.2509 -3.2315 -3.2151 -3.1663 -3.1555 -1.8665 -1.7801 -1.1629 -1.0477 4.7396 4.7429 5.0980 5.1125 6.0444 6.0653 6.4072 6.5234 7.7857 7.7935 7.9149 7.9948 14.2360 14.2660 14.7482 14.7494 15.7494 15.7555 16.0260 16.0461 k = 0.2556 0.4426-0.0000 ( 2079 PWs) bands (ev): -5.3815 -5.3291 -5.2907 -5.1315 -4.2023 -4.1704 -4.0743 -4.0643 -4.0265 -3.6991 -3.5828 -3.4400 -3.3800 -3.3617 -3.2585 -3.2542 -3.2329 -3.2163 -3.1657 -3.1559 -1.9222 -1.8335 -1.1611 -1.0435 4.7357 4.7394 5.1354 5.1489 6.1249 6.1436 6.3550 6.4690 7.8354 7.8439 7.9725 8.0525 14.1335 14.1648 14.7798 14.7812 15.7578 15.7653 16.0092 16.0300 k = 0.2500 0.4330-0.0000 ( 2079 PWs) bands (ev): -5.3826 -5.3258 -5.2864 -5.1321 -4.2037 -4.1701 -4.0768 -4.0650 -4.0240 -3.7002 -3.5900 -3.4376 -3.3809 -3.3615 -3.2610 -3.2575 -3.2345 -3.2178 -3.1652 -3.1565 -1.9792 -1.8885 -1.1610 -1.0410 4.7339 4.7379 5.1774 5.1900 6.2060 6.2139 6.3146 6.4177 7.8866 7.8958 8.0300 8.1100 14.0294 14.0619 14.8121 14.8139 15.7624 15.7712 15.9949 16.0162 k = 0.2444 0.4234-0.0000 ( 2079 PWs) bands (ev): -5.3835 -5.3223 -5.2817 -5.1325 -4.2050 -4.1699 -4.0794 -4.0658 -4.0214 -3.7016 -3.5974 -3.4356 -3.3816 -3.3613 -3.2636 -3.2607 -3.2362 -3.2195 -3.1649 -3.1572 -2.0373 -1.9448 -1.1628 -1.0402 4.7336 4.7381 5.2238 5.2356 6.2262 6.2840 6.3364 6.3735 7.9391 7.9491 8.0874 8.1672 13.9240 13.9575 14.8448 14.8470 15.7633 15.7730 15.9833 16.0049 k = 0.2389 0.4138-0.0000 ( 2083 PWs) bands (ev): -5.3843 -5.3187 -5.2768 -5.1328 -4.2064 -4.1699 -4.0820 -4.0669 -4.0187 -3.7034 -3.6050 -3.4339 -3.3824 -3.3611 -3.2665 -3.2640 -3.2380 -3.2214 -3.1647 -3.1581 -2.0963 -2.0020 -1.1663 -1.0411 4.7346 4.7394 5.2746 5.2855 6.1902 6.3081 6.3878 6.4111 7.9928 8.0034 8.1444 8.2240 13.8175 13.8519 14.8770 14.8798 15.7605 15.7712 15.9745 15.9964 k = 0.2333 0.4041-0.0000 ( 2083 PWs) bands (ev): -5.3849 -5.3150 -5.2715 -5.1329 -4.2078 -4.1700 -4.0847 -4.0681 -4.0159 -3.7055 -3.6130 -3.4325 -3.3831 -3.3611 -3.2695 -3.2673 -3.2399 -3.2236 -3.1647 -3.1590 -2.1558 -2.0601 -1.1716 -1.0437 4.7362 4.7414 5.3295 5.3396 6.1514 6.2728 6.4665 6.4938 8.0475 8.0587 8.2011 8.2803 13.7102 13.7455 14.9081 14.9117 15.7545 15.7659 15.9686 15.9907 k = 0.2278 0.3945-0.0000 ( 2083 PWs) bands (ev): -5.3854 -5.3112 -5.2660 -5.1329 -4.2092 -4.1702 -4.0874 -4.0696 -4.0130 -3.7082 -3.6212 -3.4315 -3.3838 -3.3611 -3.2728 -3.2706 -3.2420 -3.2261 -3.1648 -3.1600 -2.2157 -2.1188 -1.1785 -1.0479 4.7378 4.7435 5.3884 5.3977 6.1164 6.2375 6.5510 6.5788 8.1029 8.1147 8.2573 8.3361 13.6023 13.6383 14.9370 14.9415 15.7458 15.7578 15.9656 15.9879 k = 0.2222 0.3849-0.0000 ( 2079 PWs) bands (ev): -5.3857 -5.3073 -5.2601 -5.1326 -4.2106 -4.1705 -4.0901 -4.0714 -4.0099 -3.7112 -3.6297 -3.4309 -3.3844 -3.3612 -3.2763 -3.2739 -3.2441 -3.2287 -3.1650 -3.1610 -2.2758 -2.1778 -1.1871 -1.0538 4.7386 4.7450 5.4511 5.4597 6.0869 6.2072 6.6368 6.6648 8.1590 8.1713 8.3129 8.3912 13.4940 13.5306 14.9623 14.9683 15.7352 15.7479 15.9657 15.9883 k = 0.2167 0.3753-0.0000 ( 2079 PWs) bands (ev): -5.3859 -5.3033 -5.2540 -5.1322 -4.2120 -4.1709 -4.0929 -4.0734 -4.0067 -3.7149 -3.6386 -3.4307 -3.3850 -3.3614 -3.2801 -3.2772 -3.2464 -3.2315 -3.1654 -3.1621 -2.3358 -2.2369 -1.1972 -1.0612 4.7379 4.7451 5.5174 5.5254 6.0643 6.1833 6.7232 6.7513 8.2155 8.2282 8.3678 8.4456 13.3855 13.4225 14.9824 14.9902 15.7241 15.7375 15.9689 15.9919 k = 0.2111 0.3657-0.0000 ( 2079 PWs) bands (ev): -5.3859 -5.2993 -5.2476 -5.1316 -4.2134 -4.1715 -4.0958 -4.0757 -4.0033 -3.7191 -3.6479 -3.4308 -3.3856 -3.3617 -3.2840 -3.2804 -3.2487 -3.2346 -3.1659 -3.1632 -2.3955 -2.2959 -1.2087 -1.0701 4.7348 4.7431 5.5872 5.5945 6.0493 6.1668 6.8099 6.8380 8.2723 8.2854 8.4220 8.4992 13.2769 13.3143 14.9955 15.0056 15.7139 15.7282 15.9754 15.9988 k = 0.2056 0.3560-0.0000 ( 2081 PWs) bands (ev): -5.3858 -5.2953 -5.2410 -5.1308 -4.2147 -4.1722 -4.0987 -4.0782 -3.9998 -3.7239 -3.6575 -3.4314 -3.3862 -3.3621 -3.2881 -3.2837 -3.2512 -3.2378 -3.1665 -3.1643 -2.4547 -2.3547 -1.2216 -1.0805 4.7287 4.7382 5.6601 5.6670 6.0430 6.1584 6.8966 6.9247 8.3292 8.3427 8.4753 8.5518 13.1684 13.2060 14.9995 15.0125 15.7066 15.7220 15.9853 16.0091 k = 0.2000 0.3464-0.0000 ( 2073 PWs) bands (ev): -5.3855 -5.2913 -5.2341 -5.1298 -4.2161 -4.1731 -4.1016 -4.0810 -3.9962 -3.7294 -3.6675 -3.4324 -3.3868 -3.3625 -3.2924 -3.2869 -3.2537 -3.2411 -3.1670 -3.1653 -2.5131 -2.4128 -1.2357 -1.0922 4.7190 4.7299 5.7361 5.7427 6.0458 6.1588 6.9830 7.0112 8.3861 8.3999 8.5278 8.6035 13.0600 13.0978 14.9927 15.0090 15.7042 15.7208 15.9987 16.0231 k = 0.1944 0.3368-0.0000 ( 2073 PWs) bands (ev): -5.3851 -5.2873 -5.2270 -5.1285 -4.2174 -4.1740 -4.1046 -4.0841 -3.9924 -3.7357 -3.6779 -3.4338 -3.3873 -3.3630 -3.2969 -3.2902 -3.2564 -3.2446 -3.1677 -3.1662 -2.5705 -2.4702 -1.2509 -1.1051 4.7052 4.7178 5.8149 5.8214 6.0583 6.1683 7.0691 7.0973 8.4428 8.4567 8.5793 8.6542 12.9520 12.9899 14.9737 14.9935 15.7079 15.7258 16.0158 16.0408 k = 0.1889 0.3272-0.0000 ( 2077 PWs) bands (ev): -5.3846 -5.2834 -5.2197 -5.1271 -4.2188 -4.1751 -4.1077 -4.0875 -3.9887 -3.7429 -3.6886 -3.4356 -3.3879 -3.3636 -3.3014 -3.2934 -3.2592 -3.2482 -3.1684 -3.1672 -2.6268 -2.5267 -1.2671 -1.1191 4.6873 4.7016 5.8961 5.9029 6.0807 6.1871 7.1545 7.1827 8.4991 8.5132 8.6297 8.7037 12.8444 12.8822 14.9422 14.9656 15.7186 15.7377 16.0367 16.0623 k = 0.1833 0.3175-0.0000 ( 2077 PWs) bands (ev): -5.3839 -5.2796 -5.2122 -5.1254 -4.2202 -4.1763 -4.1108 -4.0911 -3.9849 -3.7510 -3.6997 -3.4378 -3.3885 -3.3642 -3.3060 -3.2967 -3.2621 -3.2519 -3.1690 -3.1680 -2.6817 -2.5820 -1.2841 -1.1342 4.6653 4.6814 5.9793 5.9871 6.1131 6.2152 7.2391 7.2672 8.5549 8.5692 8.6791 8.7521 12.7372 12.7750 14.8988 14.9257 15.7361 15.7562 16.0616 16.0877 k = 0.1778 0.3079-0.0000 ( 2075 PWs) bands (ev): -5.3831 -5.2759 -5.2045 -5.1235 -4.2215 -4.1776 -4.1139 -4.0949 -3.9811 -3.7602 -3.7111 -3.4403 -3.3891 -3.3649 -3.3107 -3.3001 -3.2651 -3.2556 -3.1697 -3.1688 -2.7350 -2.6360 -1.3018 -1.1502 4.6396 4.6574 6.0637 6.0739 6.1560 6.2522 7.3226 7.3507 8.6102 8.6245 8.7274 8.7993 12.6307 12.6682 14.8446 14.8747 15.7595 15.7805 16.0905 16.1173 k = 0.1722 0.2983-0.0000 ( 2077 PWs) bands (ev): -5.3821 -5.2724 -5.1967 -5.1214 -4.2228 -4.1790 -4.1172 -4.0989 -3.9774 -3.7704 -3.7227 -3.4431 -3.3898 -3.3658 -3.3154 -3.3035 -3.2682 -3.2593 -3.1702 -3.1696 -2.7865 -2.6884 -1.3202 -1.1670 4.6106 4.6299 6.1469 6.1629 6.2106 6.2978 7.4050 7.4329 8.6646 8.6790 8.7744 8.8453 12.5247 12.5620 14.7810 14.8141 15.7877 15.8094 16.1236 16.1511 k = 0.1667 0.2887-0.0000 ( 2077 PWs) bands (ev): -5.3810 -5.2691 -5.1887 -5.1191 -4.2242 -4.1805 -4.1204 -4.1032 -3.9739 -3.7818 -3.7345 -3.4462 -3.3906 -3.3668 -3.3200 -3.3069 -3.2714 -3.2631 -3.1707 -3.1703 -2.8360 -2.7391 -1.3390 -1.1846 4.5787 4.5994 6.2254 6.2540 6.2801 6.3515 7.4859 7.5136 8.7181 8.7325 8.8203 8.8899 12.4193 12.4563 14.7095 14.7455 15.8196 15.8418 16.1609 16.1892 k = 0.1611 0.2791-0.0000 ( 2073 PWs) bands (ev): -5.3799 -5.2661 -5.1806 -5.1165 -4.2254 -4.1821 -4.1238 -4.1076 -3.9707 -3.7945 -3.7463 -3.4494 -3.3915 -3.3679 -3.3246 -3.3105 -3.2747 -3.2668 -3.1710 -3.1709 -2.8833 -2.7879 -1.3581 -1.2028 4.5446 4.5664 6.2992 6.3470 6.3635 6.4127 7.5652 7.5926 8.7706 8.7850 8.8650 8.9332 12.3147 12.3512 14.6315 14.6700 15.8541 15.8767 16.2026 16.2317 k = 0.1556 0.2694-0.0000 ( 2065 PWs) bands (ev): -5.3786 -5.2633 -5.1724 -5.1137 -4.2267 -4.1838 -4.1271 -4.1123 -3.9680 -3.8084 -3.7578 -3.4527 -3.3926 -3.3692 -3.3291 -3.3141 -3.2780 -3.2705 -3.1716 -3.1714 -2.9282 -2.8345 -1.3774 -1.2215 4.5087 4.5314 6.3736 6.4412 6.4547 6.4813 7.6428 7.6699 8.8220 8.8363 8.9084 8.9753 12.2108 12.2468 14.5480 14.5888 15.8903 15.9132 16.2488 16.2787 k = 0.1500 0.2598-0.0000 ( 2069 PWs) bands (ev): -5.3772 -5.2609 -5.1641 -5.1107 -4.2279 -4.1856 -4.1306 -4.1171 -3.9660 -3.8236 -3.7691 -3.4561 -3.3940 -3.3708 -3.3336 -3.3180 -3.2814 -3.2741 -3.1725 -3.1717 -2.9706 -2.8788 -1.3969 -1.2407 4.4715 4.4949 6.4514 6.5347 6.5500 6.5583 7.7183 7.7451 8.8721 8.8864 8.9504 9.0158 12.1076 12.1431 14.4601 14.5029 15.9273 15.9505 16.2995 16.3302 k = 0.1444 0.2502-0.0000 ( 2069 PWs) bands (ev): -5.3757 -5.2588 -5.1558 -5.1074 -4.2292 -4.1875 -4.1341 -4.1220 -3.9650 -3.8401 -3.7796 -3.4595 -3.3957 -3.3725 -3.3378 -3.3219 -3.2848 -3.2776 -3.1734 -3.1722 -3.0101 -2.9206 -1.4163 -1.2602 4.4335 4.4572 6.5336 6.6234 6.6472 6.6478 7.7916 7.8180 8.9209 8.9350 8.9911 9.0549 12.0051 12.0400 14.3685 14.4132 15.9647 15.9879 16.3548 16.3863 k = 0.1389 0.2406-0.0000 ( 2069 PWs) bands (ev): -5.3741 -5.2571 -5.1475 -5.1040 -4.2303 -4.1894 -4.1376 -4.1270 -3.9653 -3.8579 -3.7890 -3.4629 -3.3978 -3.3746 -3.3418 -3.3261 -3.2882 -3.2811 -3.1747 -3.1730 -3.0465 -2.9595 -1.4356 -1.2799 4.3950 4.4189 6.6199 6.7099 6.7446 6.7476 7.8627 7.8886 8.9683 8.9822 9.0305 9.0926 11.9034 11.9375 14.2739 14.3202 16.0019 16.0251 16.4149 16.4471 k = 0.1333 0.2309-0.0000 ( 2073 PWs) bands (ev): -5.3725 -5.2557 -5.1392 -5.1004 -4.2315 -4.1915 -4.1413 -4.1322 -3.9674 -3.8768 -3.7970 -3.4662 -3.4004 -3.3770 -3.3456 -3.3306 -3.2916 -3.2844 -3.1765 -3.1746 -3.0792 -2.9953 -1.4547 -1.2999 4.3564 4.3803 6.7101 6.7986 6.8453 6.8490 7.9313 7.9567 9.0141 9.0279 9.0684 9.1288 11.8023 11.8357 14.1769 14.2247 16.0385 16.0616 16.4797 16.5125 k = 0.1278 0.2213-0.0000 ( 2065 PWs) bands (ev): -5.3707 -5.2548 -5.1310 -5.0966 -4.2325 -4.1936 -4.1449 -4.1373 -3.9714 -3.8967 -3.8030 -3.4694 -3.4036 -3.3798 -3.3491 -3.3353 -3.2949 -3.2874 -3.1790 -3.1782 -3.1070 -3.0276 -1.4735 -1.3199 4.3180 4.3417 6.8037 6.8905 6.9479 6.9518 7.9973 8.0222 9.0583 9.0719 9.1051 9.1635 11.7020 11.7346 14.0780 14.1270 16.0742 16.0970 16.5493 16.5825 k = 0.1222 0.2117-0.0000 ( 2073 PWs) bands (ev): -5.3689 -5.2542 -5.1228 -5.0926 -4.2336 -4.1957 -4.1486 -4.1425 -3.9777 -3.9176 -3.8070 -3.4725 -3.4075 -3.3830 -3.3524 -3.3404 -3.2982 -3.2905 -3.1858 -3.1827 -3.1279 -3.0560 -1.4918 -1.3400 4.2801 4.3034 6.9003 6.9852 7.0517 7.0556 8.0607 8.0850 9.1007 9.1142 9.1402 9.1967 11.6023 11.6340 13.9775 14.0277 16.1087 16.1311 16.6236 16.6571 k = 0.1167 0.2021-0.0000 ( 2069 PWs) bands (ev): -5.3670 -5.2540 -5.1148 -5.0886 -4.2346 -4.1980 -4.1523 -4.1477 -3.9862 -3.9391 -3.8087 -3.4755 -3.4122 -3.3865 -3.3553 -3.3459 -3.3014 -3.2933 -3.1988 -3.1881 -3.1400 -3.0798 -1.5096 -1.3599 4.2429 4.2657 6.9995 7.0826 7.1567 7.1605 8.1212 8.1449 9.1415 9.1548 9.1741 9.2284 11.5032 11.5340 13.8760 13.9270 16.1419 16.1637 16.7026 16.7361 k = 0.1111 0.1925-0.0000 ( 2069 PWs) bands (ev): -5.3651 -5.2542 -5.1069 -5.0845 -4.2355 -4.2002 -4.1561 -4.1529 -3.9967 -3.9611 -3.8082 -3.4785 -3.4175 -3.3905 -3.3579 -3.3520 -3.3045 -3.2961 -3.2155 -3.1956 -3.1455 -3.0985 -1.5268 -1.3798 4.2066 4.2287 7.1008 7.1820 7.2625 7.2661 8.1789 8.2019 9.1803 9.1936 9.2066 9.2586 11.4047 11.4345 13.7738 13.8255 16.1735 16.1945 16.7862 16.8194 k = 0.1056 0.1828-0.0000 ( 2065 PWs) bands (ev): -5.3630 -5.2548 -5.0992 -5.0803 -4.2363 -4.2025 -4.1599 -4.1580 -4.0090 -3.9834 -3.8059 -3.4814 -3.4237 -3.3949 -3.3603 -3.3588 -3.3074 -3.2988 -3.2325 -3.2054 -3.1474 -3.1121 -1.5433 -1.3995 4.1713 4.1927 7.2038 7.2832 7.3690 7.3724 8.2336 8.2560 9.2173 9.2306 9.2378 9.2873 11.3068 11.3355 13.6712 13.7234 16.2033 16.2236 16.8741 16.9068 k = 0.1000 0.1732-0.0000 ( 2063 PWs) bands (ev): -5.3610 -5.2558 -5.0917 -5.0761 -4.2370 -4.2049 -4.1637 -4.1630 -4.0227 -4.0058 -3.8018 -3.4844 -3.4304 -3.3996 -3.3664 -3.3624 -3.3102 -3.3015 -3.2478 -3.2169 -3.1477 -3.1212 -1.5591 -1.4189 4.1372 4.1577 7.3081 7.3855 7.4761 7.4793 8.2855 8.3071 9.2521 9.2656 9.2677 9.3144 11.2093 11.2370 13.5685 13.6210 16.2313 16.2507 16.9663 16.9979 k = 0.0944 0.1636-0.0000 ( 2067 PWs) bands (ev): -5.3588 -5.2571 -5.0845 -5.0719 -4.2377 -4.2073 -4.1679 -4.1675 -4.0373 -4.0279 -3.7965 -3.4875 -3.4378 -3.4048 -3.3747 -3.3646 -3.3128 -3.3043 -3.2607 -3.2289 -3.1471 -3.1270 -1.5741 -1.4380 4.1045 4.1241 7.4130 7.4885 7.5835 7.5864 8.3343 8.3553 9.2845 9.2966 9.2987 9.3400 11.1122 11.1387 13.4662 13.5188 16.2575 16.2758 17.0622 17.0925 k = 0.0889 0.1540-0.0000 ( 2067 PWs) bands (ev): -5.3566 -5.2587 -5.0776 -5.0678 -4.2383 -4.2098 -4.1727 -4.1714 -4.0525 -4.0497 -3.7900 -3.4909 -3.4455 -3.4104 -3.3834 -3.3666 -3.3153 -3.3071 -3.2710 -3.2407 -3.1460 -3.1306 -1.5882 -1.4568 4.0732 4.0918 7.5183 7.5917 7.6912 7.6936 8.3803 8.4006 9.3143 9.3248 9.3299 9.3640 11.0154 11.0408 13.3646 13.4171 16.2817 16.2989 17.1617 17.1900 k = 0.0833 0.1443-0.0000 ( 2063 PWs) bands (ev): -5.3543 -5.2607 -5.0710 -5.0637 -4.2387 -4.2123 -4.1773 -4.1753 -4.0707 -4.0680 -3.7825 -3.4945 -3.4535 -3.4167 -3.3920 -3.3688 -3.3175 -3.3100 -3.2789 -3.2515 -3.1447 -3.1327 -1.6013 -1.4751 4.0434 4.0610 7.6234 7.6946 7.7989 7.8009 8.4235 8.4431 9.3412 9.3523 9.3590 9.3865 10.9189 10.9431 13.2642 13.3162 16.3040 16.3200 17.2641 17.2899 k = 0.0778 0.1347-0.0000 ( 2065 PWs) bands (ev): -5.3519 -5.2629 -5.0647 -5.0597 -4.2391 -4.2148 -4.1817 -4.1793 -4.0909 -4.0836 -3.7743 -3.4987 -3.4616 -3.4239 -3.3999 -3.3710 -3.3196 -3.3130 -3.2847 -3.2612 -3.1432 -3.1339 -1.6134 -1.4929 4.0153 4.0318 7.7277 7.7966 7.9064 7.9078 8.4639 8.4830 9.3656 9.3788 9.3861 9.4075 10.8225 10.8455 13.1652 13.2166 16.3243 16.3392 17.3688 17.3916 k = 0.0722 0.1251-0.0000 ( 2055 PWs) bands (ev): -5.3494 -5.2654 -5.0589 -5.0558 -4.2393 -4.2173 -4.1859 -4.1833 -4.1100 -4.0989 -3.7654 -3.5034 -3.4695 -3.4320 -3.4064 -3.3733 -3.3215 -3.3159 -3.2890 -3.2696 -3.1417 -3.1343 -1.6245 -1.5101 3.9889 4.0043 7.8306 7.8971 8.0136 8.0142 8.5019 8.5205 9.3881 9.4038 9.4111 9.4270 10.7264 10.7481 13.0684 13.1188 16.3428 16.3564 17.4750 17.4941 k = 0.0667 0.1155-0.0000 ( 2055 PWs) bands (ev): -5.3469 -5.2681 -5.0534 -5.0521 -4.2394 -4.2199 -4.1898 -4.1875 -4.1277 -4.1138 -3.7560 -3.5089 -3.4771 -3.4408 -3.4115 -3.3757 -3.3233 -3.3186 -3.2921 -3.2767 -3.1401 -3.1344 -1.6345 -1.5267 3.9642 3.9786 7.9315 7.9953 8.1196 8.1198 8.5375 8.5558 9.4089 9.4269 9.4339 9.4450 10.6303 10.6507 12.9741 13.0233 16.3593 16.3718 17.5818 17.5964 k = 0.0611 0.1058-0.0000 ( 2055 PWs) bands (ev): -5.3443 -5.2711 -5.0486 -5.0485 -4.2394 -4.2226 -4.1936 -4.1920 -4.1438 -4.1280 -3.7461 -3.5151 -3.4843 -3.4500 -3.4153 -3.3784 -3.3248 -3.3211 -3.2945 -3.2826 -3.1385 -3.1342 -1.6434 -1.5427 3.9414 3.9546 8.0297 8.0907 8.2234 8.2245 8.5716 8.5896 9.4280 9.4482 9.4544 9.4618 10.5341 10.5532 12.8830 12.9306 16.3741 16.3854 17.6878 17.6973 k = 0.0556 0.0962-0.0000 ( 2051 PWs) bands (ev): -5.3416 -5.2742 -5.0452 -5.0439 -4.2393 -4.2253 -4.1971 -4.1969 -4.1578 -4.1414 -3.7358 -3.5221 -3.4910 -3.4590 -3.4181 -3.3811 -3.3263 -3.3233 -3.2963 -3.2874 -3.1371 -3.1338 -1.6511 -1.5580 3.9205 3.9325 8.1245 8.1823 8.3242 8.3265 8.6053 8.6233 9.4455 9.4675 9.4720 9.4779 10.4380 10.4557 12.7958 12.8414 16.3872 16.3973 17.7915 17.7952 k = 0.0500 0.0866-0.0000 ( 2051 PWs) bands (ev): -5.3387 -5.2774 -5.0421 -5.0399 -4.2392 -4.2280 -4.2026 -4.2004 -4.1695 -4.1537 -3.7252 -3.5299 -3.4970 -3.4677 -3.4199 -3.3840 -3.3276 -3.3253 -3.2977 -3.2914 -3.1357 -3.1333 -1.6576 -1.5725 3.9015 3.9123 8.2150 8.2693 8.4196 8.4231 8.6411 8.6591 9.4614 9.4848 9.4865 9.4934 10.3417 10.3581 12.7132 12.7564 16.3986 16.4076 17.8881 17.8908 k = 0.0444 0.0770-0.0000 ( 2043 PWs) bands (ev): -5.3359 -5.2808 -5.0391 -5.0364 -4.2389 -4.2308 -4.2090 -4.2035 -4.1786 -4.1649 -3.7143 -3.5384 -3.5022 -3.4757 -3.4209 -3.3870 -3.3287 -3.3269 -3.2989 -3.2945 -3.1344 -3.1327 -1.6630 -1.5862 3.8845 3.8941 8.3003 8.3507 8.5044 8.5084 8.6850 8.7022 9.4758 9.4987 9.5002 9.5077 10.2454 10.2604 12.6361 12.6764 16.4085 16.4164 17.9742 17.9832 k = 0.0389 0.0674-0.0000 ( 2041 PWs) bands (ev): -5.3329 -5.2843 -5.0364 -5.0333 -4.2387 -4.2337 -4.2159 -4.2065 -4.1853 -4.1747 -3.7032 -3.5476 -3.5067 -3.4831 -3.4212 -3.3901 -3.3297 -3.3283 -3.2998 -3.2969 -3.1332 -3.1321 -1.6671 -1.5990 3.8695 3.8779 8.3793 8.4256 8.5711 8.5734 8.7458 8.7602 9.4887 9.5090 9.5135 9.5202 10.1489 10.1627 12.5653 12.6022 16.4170 16.4237 18.0511 18.0658 k = 0.0333 0.0577-0.0000 ( 2041 PWs) bands (ev): -5.3298 -5.2878 -5.0339 -5.0308 -4.2386 -4.2366 -4.2225 -4.2094 -4.1902 -4.1829 -3.6920 -3.5574 -3.5104 -3.4899 -3.4210 -3.3932 -3.3306 -3.3295 -3.3006 -3.2988 -3.1322 -3.1315 -1.6699 -1.6110 3.8565 3.8637 8.4511 8.4927 8.6157 8.6166 8.8260 8.8361 9.5000 9.5177 9.5250 9.5308 10.0525 10.0649 12.5018 12.5347 16.4241 16.4298 18.1169 18.1359 k = 0.0278 0.0481-0.0000 ( 2033 PWs) bands (ev): -5.3267 -5.2915 -5.0318 -5.0287 -4.2395 -4.2393 -4.2274 -4.2123 -4.1939 -4.1895 -3.6806 -3.5676 -3.5132 -3.4958 -3.4202 -3.3963 -3.3314 -3.3305 -3.3012 -3.3002 -3.1313 -3.1309 -1.6716 -1.6219 3.8455 3.8515 8.5143 8.5510 8.6434 8.6466 8.9174 8.9239 9.5099 9.5250 9.5346 9.5396 9.9563 9.9674 12.4464 12.4749 16.4300 16.4347 18.1705 18.1913 k = 0.0222 0.0385-0.0000 ( 2039 PWs) bands (ev): -5.3234 -5.2951 -5.0298 -5.0272 -4.2424 -4.2414 -4.2299 -4.2153 -4.1967 -4.1945 -3.6691 -3.5781 -3.5152 -3.5012 -3.4190 -3.3995 -3.3320 -3.3313 -3.3017 -3.3012 -3.1306 -3.1304 -1.6720 -1.6320 3.8366 3.8415 8.5676 8.5986 8.6633 8.6677 9.0129 9.0168 9.5182 9.5306 9.5422 9.5464 9.8608 9.8706 12.4002 12.4238 16.4347 16.4384 18.2117 18.2316 k = 0.0167 0.0289-0.0000 ( 2047 PWs) bands (ev): -5.3201 -5.2988 -5.0282 -5.0261 -4.2449 -4.2443 -4.2302 -4.2183 -4.1988 -4.1979 -3.6575 -3.5890 -3.5164 -3.5057 -3.4175 -3.4026 -3.3325 -3.3320 -3.3021 -3.3019 -3.1301 -3.1300 -1.6711 -1.6409 3.8298 3.8335 8.6098 8.6337 8.6796 8.6836 9.1084 9.1104 9.5250 9.5350 9.5482 9.5514 9.7669 9.7754 12.3640 12.3821 16.4384 16.4412 18.2417 18.2584 k = 0.0111 0.0192-0.0000 ( 2055 PWs) bands (ev): -5.3167 -5.3024 -5.0270 -5.0254 -4.2470 -4.2467 -4.2293 -4.2212 -4.2004 -4.2001 -3.6459 -3.6001 -3.5167 -3.5095 -3.4156 -3.4056 -3.3328 -3.3325 -3.3025 -3.3024 -3.1297 -3.1297 -1.6690 -1.6488 3.8251 3.8276 8.6396 8.6550 8.6943 8.6963 9.1995 9.2001 9.5305 9.5382 9.5525 9.5547 9.6772 9.6846 12.3384 12.3508 16.4411 16.4429 18.2622 18.2740 k = 0.0056 0.0096-0.0000 ( 2069 PWs) bands (ev): -5.3132 -5.3061 -5.0260 -5.0252 -4.2484 -4.2483 -4.2279 -4.2238 -4.2013 -4.2013 -3.6344 -3.6115 -3.5161 -3.5125 -3.4135 -3.4084 -3.3330 -3.3328 -3.3027 -3.3027 -3.1296 -3.1296 -1.6657 -1.6556 3.8226 3.8238 8.6572 8.6642 8.7052 8.7055 9.2765 9.2768 9.5360 9.5420 9.5552 9.5565 9.5989 9.6054 12.3242 12.3304 16.4428 16.4437 18.2749 18.2811 k = 0.0000 0.0000 0.0000 ( 2069 PWs) bands (ev): -5.3097 -5.3097 -5.0254 -5.0254 -4.2488 -4.2488 -4.2260 -4.2260 -4.2017 -4.2017 -3.6229 -3.6229 -3.5147 -3.5147 -3.4110 -3.4110 -3.3330 -3.3330 -3.3028 -3.3028 -3.1295 -3.1295 -1.6613 -1.6613 3.8221 3.8221 8.6648 8.6648 8.7091 8.7091 9.3120 9.3120 9.5486 9.5486 9.5560 9.5560 9.5589 9.5589 12.3215 12.3215 16.4437 16.4437 18.2811 18.2811 k = 0.0000 0.0000 0.0000 ( 2069 PWs) bands (ev): -5.3097 -5.3097 -5.0254 -5.0254 -4.2488 -4.2488 -4.2260 -4.2260 -4.2017 -4.2017 -3.6229 -3.6229 -3.5147 -3.5147 -3.4110 -3.4110 -3.3330 -3.3330 -3.3028 -3.3028 -3.1295 -3.1295 -1.6613 -1.6613 3.8221 3.8221 8.6648 8.6648 8.7091 8.7091 9.3120 9.3120 9.5486 9.5486 9.5560 9.5560 9.5589 9.5589 12.3215 12.3215 16.4437 16.4437 18.2811 18.2811 k = 0.0000 0.0000 0.0111 ( 2069 PWs) bands (ev): -5.3094 -5.3094 -5.0255 -5.0255 -4.2488 -4.2488 -4.2253 -4.2253 -4.2017 -4.2017 -3.6233 -3.6233 -3.5145 -3.5145 -3.4109 -3.4109 -3.3327 -3.3327 -3.3026 -3.3026 -3.1296 -3.1296 -1.6641 -1.6641 3.8265 3.8265 8.6655 8.6655 8.7098 8.7098 9.2710 9.2710 9.5551 9.5551 9.5554 9.5554 9.5920 9.5920 12.3215 12.3215 16.4427 16.4427 18.2806 18.2806 k = 0.0000 0.0000 0.0221 ( 2057 PWs) bands (ev): -5.3086 -5.3086 -5.0259 -5.0259 -4.2487 -4.2487 -4.2230 -4.2230 -4.2018 -4.2018 -3.6242 -3.6242 -3.5139 -3.5139 -3.4106 -3.4106 -3.3320 -3.3320 -3.3022 -3.3022 -3.1299 -3.1299 -1.6727 -1.6727 3.8397 3.8397 8.6676 8.6676 8.7118 8.7118 9.1859 9.1859 9.5533 9.5533 9.5534 9.5534 9.6752 9.6752 12.3215 12.3215 16.4402 16.4402 18.2791 18.2791 k = 0.0000 0.0000 0.0332 ( 2063 PWs) bands (ev): -5.3074 -5.3074 -5.0265 -5.0265 -4.2486 -4.2486 -4.2194 -4.2194 -4.2021 -4.2021 -3.6259 -3.6259 -3.5129 -3.5129 -3.4100 -3.4100 -3.3307 -3.3307 -3.3014 -3.3014 -3.1305 -3.1305 -1.6869 -1.6869 3.8615 3.8615 8.6709 8.6709 8.7151 8.7151 9.0873 9.0873 9.5499 9.5499 9.5501 9.5501 9.7706 9.7706 12.3214 12.3214 16.4356 16.4356 18.2764 18.2764 k = 0.0000 0.0000 0.0442 ( 2063 PWs) bands (ev): -5.3056 -5.3056 -5.0274 -5.0274 -4.2485 -4.2485 -4.2142 -4.2142 -4.2024 -4.2024 -3.6283 -3.6283 -3.5115 -3.5115 -3.4093 -3.4093 -3.3290 -3.3290 -3.3004 -3.3004 -3.1314 -3.1314 -1.7065 -1.7065 3.8918 3.8918 8.6756 8.6756 8.7196 8.7196 8.9838 8.9838 9.5448 9.5448 9.5454 9.5454 9.8699 9.8699 12.3213 12.3213 16.4296 16.4296 18.2723 18.2723 k = 0.0000 0.0000 0.0553 ( 2063 PWs) bands (ev): -5.3032 -5.3032 -5.0285 -5.0285 -4.2482 -4.2482 -4.2075 -4.2075 -4.2029 -4.2029 -3.6313 -3.6313 -3.5097 -3.5097 -3.4084 -3.4084 -3.3267 -3.3267 -3.2991 -3.2991 -3.1325 -3.1325 -1.7312 -1.7312 3.9303 3.9303 8.6816 8.6816 8.7254 8.7254 8.8778 8.8778 9.5384 9.5384 9.5394 9.5394 9.9706 9.9706 12.3211 12.3211 16.4220 16.4220 18.2664 18.2664 k = 0.0000 0.0000 0.0664 ( 2063 PWs) bands (ev): -5.3004 -5.3004 -5.0299 -5.0299 -4.2480 -4.2480 -4.2034 -4.2034 -4.1995 -4.1995 -3.6349 -3.6349 -3.5074 -3.5074 -3.4074 -3.4074 -3.3238 -3.3238 -3.2974 -3.2974 -3.1339 -3.1339 -1.7608 -1.7608 3.9768 3.9768 8.6890 8.6890 8.7325 8.7325 8.7701 8.7701 9.5305 9.5305 9.5321 9.5321 10.0715 10.0715 12.3206 12.3206 16.4131 16.4131 18.2581 18.2581 k = 0.0000 0.0000 0.0774 ( 2063 PWs) bands (ev): -5.2971 -5.2971 -5.0316 -5.0316 -4.2477 -4.2477 -4.2041 -4.2041 -4.1900 -4.1900 -3.6391 -3.6391 -3.5047 -3.5047 -3.4063 -3.4063 -3.3203 -3.3203 -3.2955 -3.2955 -3.1355 -3.1355 -1.7950 -1.7950 4.0308 4.0308 8.6612 8.6612 8.6975 8.6975 8.7408 8.7408 9.5213 9.5213 9.5235 9.5235 10.1723 10.1723 12.3199 12.3199 16.4031 16.4031 18.2464 18.2464 k = 0.0000 0.0000 0.0885 ( 2063 PWs) bands (ev): -5.2933 -5.2933 -5.0336 -5.0336 -4.2474 -4.2474 -4.2048 -4.2048 -4.1792 -4.1792 -3.6439 -3.6439 -3.5016 -3.5016 -3.4051 -3.4051 -3.3161 -3.3161 -3.2934 -3.2934 -3.1373 -3.1373 -1.8334 -1.8334 4.0919 4.0919 8.5513 8.5513 8.7074 8.7074 8.7503 8.7503 9.5107 9.5107 9.5137 9.5137 10.2725 10.2725 12.3187 12.3187 16.3922 16.3922 18.2297 18.2297 k = 0.0000 0.0000 0.0995 ( 2063 PWs) bands (ev): -5.2891 -5.2891 -5.0360 -5.0360 -4.2470 -4.2470 -4.2056 -4.2056 -4.1671 -4.1671 -3.6491 -3.6491 -3.4981 -3.4981 -3.4039 -3.4039 -3.3112 -3.3112 -3.2910 -3.2910 -3.1393 -3.1393 -1.8755 -1.8755 4.1599 4.1599 8.4405 8.4405 8.7185 8.7185 8.7610 8.7610 9.4989 9.4989 9.5026 9.5026 10.3721 10.3721 12.3170 12.3170 16.3808 16.3808 18.2059 18.2059 k = 0.0000 0.0000 0.1106 ( 2063 PWs) bands (ev): -5.2844 -5.2844 -5.0388 -5.0388 -4.2465 -4.2465 -4.2065 -4.2065 -4.1537 -4.1537 -3.6549 -3.6549 -3.4941 -3.4941 -3.4027 -3.4027 -3.3055 -3.3055 -3.2883 -3.2883 -3.1416 -3.1416 -1.9211 -1.9211 4.2341 4.2341 8.3289 8.3289 8.7307 8.7307 8.7729 8.7729 9.4858 9.4858 9.4904 9.4904 10.4708 10.4708 12.3145 12.3145 16.3691 16.3691 18.1718 18.1718 k = 0.0000 0.0000 0.1216 ( 2063 PWs) bands (ev): -5.2792 -5.2792 -5.0419 -5.0419 -4.2460 -4.2460 -4.2075 -4.2075 -4.1392 -4.1392 -3.6612 -3.6612 -3.4898 -3.4898 -3.4015 -3.4015 -3.2989 -3.2989 -3.2854 -3.2854 -3.1442 -3.1442 -1.9696 -1.9696 4.3142 4.3142 8.2164 8.2164 8.7442 8.7442 8.7859 8.7859 9.4715 9.4715 9.4770 9.4770 10.5685 10.5685 12.3113 12.3113 16.3574 16.3574 18.1240 18.1240 k = 0.0000 0.0000 0.1327 ( 2069 PWs) bands (ev): -5.2737 -5.2737 -5.0454 -5.0454 -4.2455 -4.2455 -4.2085 -4.2085 -4.1236 -4.1236 -3.6679 -3.6679 -3.4851 -3.4851 -3.4004 -3.4004 -3.2914 -3.2914 -3.2823 -3.2823 -3.1469 -3.1469 -2.0207 -2.0207 4.3997 4.3997 8.1030 8.1030 8.7588 8.7588 8.7999 8.7999 9.4560 9.4560 9.4626 9.4626 10.6650 10.6650 12.3069 12.3069 16.3462 16.3462 18.0600 18.0600 k = 0.0000 0.0000 0.1438 ( 2057 PWs) bands (ev): -5.2678 -5.2678 -5.0492 -5.0492 -4.2449 -4.2449 -4.2096 -4.2096 -4.1070 -4.1070 -3.6750 -3.6750 -3.4801 -3.4801 -3.3993 -3.3993 -3.2825 -3.2825 -3.2788 -3.2788 -3.1498 -3.1498 -2.0740 -2.0740 4.4903 4.4903 7.9890 7.9890 8.7744 8.7744 8.8150 8.8150 9.4394 9.4394 9.4471 9.4471 10.7603 10.7603 12.3013 12.3013 16.3359 16.3359 17.9799 17.9799 k = 0.0000 0.0000 0.1548 ( 2069 PWs) bands (ev): -5.2615 -5.2615 -5.0535 -5.0535 -4.2443 -4.2443 -4.2108 -4.2108 -4.0896 -4.0896 -3.6826 -3.6826 -3.4748 -3.4748 -3.3984 -3.3984 -3.2753 -3.2753 -3.2725 -3.2725 -3.1529 -3.1529 -2.1290 -2.1290 4.5853 4.5853 7.8740 7.8740 8.7911 8.7911 8.8311 8.8311 9.4217 9.4217 9.4306 9.4306 10.8540 10.8540 12.2942 12.2942 16.3268 16.3268 17.8865 17.8865 k = 0.0000 0.0000 0.1659 ( 2075 PWs) bands (ev): -5.2548 -5.2548 -5.0582 -5.0582 -4.2436 -4.2436 -4.2120 -4.2120 -4.0714 -4.0714 -3.6906 -3.6906 -3.4692 -3.4692 -3.3977 -3.3977 -3.2716 -3.2716 -3.2608 -3.2608 -3.1563 -3.1563 -2.1854 -2.1854 4.6846 4.6846 7.7582 7.7582 8.8087 8.8087 8.8481 8.8481 9.4030 9.4030 9.4130 9.4130 10.9461 10.9461 12.2855 12.2855 16.3195 16.3195 17.7838 17.7838 k = 0.0000 0.0000 0.1769 ( 2069 PWs) bands (ev): -5.2478 -5.2478 -5.0633 -5.0633 -4.2428 -4.2428 -4.2133 -4.2133 -4.0526 -4.0526 -3.6990 -3.6990 -3.4635 -3.4635 -3.3970 -3.3970 -3.2676 -3.2676 -3.2475 -3.2475 -3.1598 -3.1598 -2.2429 -2.2429 4.7875 4.7875 7.6416 7.6416 8.8273 8.8273 8.8660 8.8660 9.3835 9.3835 9.3947 9.3947 11.0364 11.0364 12.2747 12.2747 16.3144 16.3144 17.6758 17.6758 k = 0.0000 0.0000 0.1880 ( 2057 PWs) bands (ev): -5.2405 -5.2405 -5.0687 -5.0687 -4.2420 -4.2420 -4.2146 -4.2146 -4.0335 -4.0335 -3.7077 -3.7077 -3.4577 -3.4577 -3.3965 -3.3965 -3.2635 -3.2635 -3.2323 -3.2323 -3.1635 -3.1635 -2.3009 -2.3009 4.8938 4.8938 7.5243 7.5243 8.8469 8.8469 8.8848 8.8848 9.3631 9.3631 9.3756 9.3756 11.1247 11.1247 12.2618 12.2618 16.3121 16.3121 17.5657 17.5657 k = 0.0000 0.0000 0.1991 ( 2045 PWs) bands (ev): -5.2329 -5.2329 -5.0746 -5.0746 -4.2411 -4.2411 -4.2158 -4.2158 -4.0140 -4.0140 -3.7169 -3.7169 -3.4519 -3.4519 -3.3961 -3.3961 -3.2593 -3.2593 -3.2150 -3.2150 -3.1673 -3.1673 -2.3593 -2.3593 5.0030 5.0030 7.4061 7.4061 8.8673 8.8673 8.9044 8.9044 9.3420 9.3420 9.3558 9.3558 11.2108 11.2108 12.2464 12.2464 16.3129 16.3129 17.4556 17.4556 k = 0.0000 0.0000 0.2101 ( 2045 PWs) bands (ev): -5.2252 -5.2252 -5.0808 -5.0808 -4.2401 -4.2401 -4.2172 -4.2172 -3.9945 -3.9945 -3.7265 -3.7265 -3.4462 -3.4462 -3.3961 -3.3961 -3.2549 -3.2549 -3.1954 -3.1954 -3.1713 -3.1713 -2.4177 -2.4177 5.1149 5.1149 7.2872 7.2872 8.8884 8.8884 8.9247 8.9247 9.3200 9.3200 9.3351 9.3351 11.2946 11.2946 12.2283 12.2283 16.3172 16.3172 17.3473 17.3473 k = 0.0000 0.0000 0.2212 ( 2051 PWs) bands (ev): -5.2172 -5.2172 -5.0873 -5.0873 -4.2392 -4.2392 -4.2186 -4.2186 -3.9751 -3.9751 -3.7366 -3.7366 -3.4407 -3.4407 -3.3963 -3.3963 -3.2504 -3.2504 -3.1755 -3.1755 -3.1734 -3.1734 -2.4759 -2.4759 5.2291 5.2291 7.1675 7.1675 8.9102 8.9102 8.9456 8.9456 9.2974 9.2974 9.3137 9.3137 11.3757 11.3757 12.2073 12.2073 16.3256 16.3256 17.2420 17.2420 k = 0.0000 0.0000 0.2322 ( 2051 PWs) bands (ev): -5.2090 -5.2090 -5.0942 -5.0942 -4.2381 -4.2381 -4.2200 -4.2200 -3.9559 -3.9559 -3.7471 -3.7471 -3.4354 -3.4354 -3.3967 -3.3967 -3.2458 -3.2458 -3.1797 -3.1797 -3.1487 -3.1487 -2.5335 -2.5335 5.3452 5.3452 7.0471 7.0471 8.9327 8.9327 8.9672 8.9672 9.2742 9.2742 9.2919 9.2919 11.4541 11.4541 12.1831 12.1831 16.3386 16.3386 17.1407 17.1407 k = 0.0000 0.0000 0.2433 ( 2051 PWs) bands (ev): -5.2007 -5.2007 -5.1014 -5.1014 -4.2371 -4.2371 -4.2214 -4.2214 -3.9370 -3.9370 -3.7580 -3.7580 -3.4304 -3.4304 -3.3974 -3.3974 -3.2411 -3.2411 -3.1841 -3.1841 -3.1213 -3.1213 -2.5901 -2.5901 5.4630 5.4630 6.9261 6.9261 8.9557 8.9557 8.9892 8.9892 9.2505 9.2505 9.2695 9.2695 11.5296 11.5296 12.1555 12.1555 16.3565 16.3565 17.0441 17.0441 k = 0.0000 0.0000 0.2543 ( 2057 PWs) bands (ev): -5.1922 -5.1922 -5.1089 -5.1089 -4.2360 -4.2360 -4.2228 -4.2228 -3.9186 -3.9186 -3.7695 -3.7695 -3.4257 -3.4257 -3.3984 -3.3984 -3.2364 -3.2364 -3.1887 -3.1887 -3.0911 -3.0911 -2.6457 -2.6457 5.5823 5.5823 6.8045 6.8045 8.9792 8.9792 9.0117 9.0117 9.2263 9.2263 9.2467 9.2467 11.6020 11.6020 12.1243 12.1243 16.3798 16.3798 16.9527 16.9527 k = 0.0000 0.0000 0.2654 ( 2062 PWs) bands (ev): -5.1837 -5.1837 -5.1166 -5.1166 -4.2348 -4.2348 -4.2243 -4.2243 -3.9008 -3.9008 -3.7815 -3.7815 -3.4214 -3.4214 -3.3997 -3.3997 -3.2317 -3.2317 -3.1932 -3.1932 -3.0580 -3.0580 -2.6998 -2.6998 5.7028 5.7028 6.6824 6.6824 9.0032 9.0032 9.0347 9.0347 9.2018 9.2018 9.2235 9.2235 11.6710 11.6710 12.0895 12.0895 16.4088 16.4088 16.8669 16.8669 k = 0.0000 0.0000 0.2765 ( 2062 PWs) bands (ev): -5.1751 -5.1751 -5.1246 -5.1246 -4.2336 -4.2336 -4.2257 -4.2257 -3.8835 -3.8835 -3.7941 -3.7941 -3.4175 -3.4175 -3.4012 -3.4012 -3.2269 -3.2269 -3.1979 -3.1979 -3.0221 -3.0221 -2.7524 -2.7524 5.8241 5.8241 6.5599 6.5599 9.0276 9.0276 9.0579 9.0579 9.1770 9.1770 9.2000 9.2000 11.7366 11.7366 12.0508 12.0508 16.4437 16.4437 16.7872 16.7872 k = 0.0000 0.0000 0.2875 ( 2062 PWs) bands (ev): -5.1665 -5.1665 -5.1327 -5.1327 -4.2324 -4.2324 -4.2270 -4.2270 -3.8669 -3.8669 -3.8074 -3.8074 -3.4139 -3.4139 -3.4031 -3.4031 -3.2220 -3.2220 -3.2026 -3.2026 -2.9834 -2.9834 -2.8031 -2.8031 5.9461 5.9461 6.4372 6.4372 9.0522 9.0522 9.0814 9.0814 9.1521 9.1521 9.1764 9.1764 11.7986 11.7986 12.0082 12.0082 16.4848 16.4848 16.7138 16.7138 k = 0.0000 0.0000 0.2986 ( 2062 PWs) bands (ev): -5.1579 -5.1579 -5.1410 -5.1410 -4.2311 -4.2311 -4.2284 -4.2284 -3.8510 -3.8510 -3.8212 -3.8212 -3.4106 -3.4106 -3.4053 -3.4053 -3.2171 -3.2171 -3.2074 -3.2074 -2.9420 -2.9420 -2.8517 -2.8517 6.0686 6.0686 6.3143 6.3143 9.0771 9.0771 9.1051 9.1051 9.1271 9.1271 9.1527 9.1527 11.8568 11.8568 11.9617 11.9617 16.5323 16.5323 16.6468 16.6468 k = 0.0000 0.0000 0.3096 ( 2062 PWs) bands (ev): -5.1494 -5.1494 -5.1494 -5.1494 -4.2298 -4.2298 -4.2298 -4.2298 -3.8358 -3.8358 -3.8358 -3.8358 -3.4078 -3.4078 -3.4078 -3.4078 -3.2123 -3.2123 -3.2123 -3.2123 -2.8981 -2.8981 -2.8981 -2.8981 6.1914 6.1914 6.1914 6.1914 9.1021 9.1021 9.1021 9.1021 9.1289 9.1289 9.1289 9.1289 11.9112 11.9112 11.9112 11.9112 16.5863 16.5863 16.5863 16.5863 k = 0.0000 0.0000 0.3096 ( 2062 PWs) bands (ev): -5.1494 -5.1494 -5.1494 -5.1494 -4.2298 -4.2298 -4.2298 -4.2298 -3.8358 -3.8358 -3.8358 -3.8358 -3.4078 -3.4078 -3.4078 -3.4078 -3.2123 -3.2123 -3.2123 -3.2123 -2.8981 -2.8981 -2.8981 -2.8981 6.1914 6.1914 6.1914 6.1914 9.1021 9.1021 9.1021 9.1021 9.1289 9.1289 9.1289 9.1289 11.9112 11.9112 11.9112 11.9112 16.5863 16.5863 16.5863 16.5863 k = 0.0096 0.0056 0.3096 ( 2062 PWs) bands (ev): -5.1527 -5.1527 -5.1463 -5.1463 -4.2296 -4.2296 -4.2296 -4.2296 -3.8458 -3.8458 -3.8257 -3.8257 -3.4078 -3.4078 -3.4074 -3.4074 -3.2124 -3.2124 -3.2124 -3.2124 -2.9044 -2.9044 -2.8902 -2.8902 6.1906 6.1906 6.1917 6.1917 9.0951 9.0951 9.1025 9.1025 9.1261 9.1261 9.1266 9.1266 11.9125 11.9125 11.9185 11.9185 16.5819 16.5819 16.5885 16.5885 k = 0.0192 0.0111 0.3096 ( 2070 PWs) bands (ev): -5.1559 -5.1559 -5.1432 -5.1432 -4.2291 -4.2291 -4.2290 -4.2290 -3.8556 -3.8556 -3.8155 -3.8155 -3.4076 -3.4076 -3.4066 -3.4066 -3.2128 -3.2128 -3.2127 -3.2127 -2.9091 -2.9091 -2.8809 -2.8809 6.1893 6.1893 6.1914 6.1914 9.0800 9.0800 9.0964 9.0964 9.1183 9.1183 9.1208 9.1208 11.9222 11.9222 11.9341 11.9341 16.5755 16.5755 16.5887 16.5887 k = 0.0288 0.0167 0.3096 ( 2072 PWs) bands (ev): -5.1593 -5.1593 -5.1403 -5.1403 -4.2282 -4.2282 -4.2280 -4.2280 -3.8651 -3.8651 -3.8053 -3.8053 -3.4070 -3.4070 -3.4054 -3.4054 -3.2134 -3.2134 -3.2131 -3.2131 -2.9120 -2.9120 -2.8701 -2.8701 6.1875 6.1875 6.1907 6.1907 9.0560 9.0560 9.0815 9.0815 9.1081 9.1081 9.1132 9.1132 11.9402 11.9402 11.9578 11.9578 16.5671 16.5671 16.5868 16.5868 k = 0.0385 0.0222 0.3096 ( 2062 PWs) bands (ev): -5.1626 -5.1626 -5.1375 -5.1375 -4.2269 -4.2269 -4.2266 -4.2266 -3.8743 -3.8743 -3.7952 -3.7952 -3.4061 -3.4061 -3.4038 -3.4038 -3.2143 -3.2143 -3.2136 -3.2136 -2.9132 -2.9132 -2.8579 -2.8579 6.1851 6.1851 6.1893 6.1893 9.0235 9.0235 9.0565 9.0565 9.0974 9.0974 9.1037 9.1037 11.9660 11.9660 11.9888 11.9888 16.5565 16.5565 16.5828 16.5828 k = 0.0481 0.0278 0.3096 ( 2058 PWs) bands (ev): -5.1659 -5.1659 -5.1349 -5.1349 -4.2254 -4.2254 -4.2247 -4.2247 -3.8832 -3.8832 -3.7853 -3.7853 -3.4050 -3.4050 -3.4017 -3.4017 -3.2155 -3.2155 -3.2142 -3.2142 -2.9125 -2.9125 -2.8444 -2.8444 6.1819 6.1819 6.1872 6.1872 8.9833 8.9833 9.0227 9.0227 9.0855 9.0855 9.0925 9.0925 11.9988 11.9988 12.0265 12.0265 16.5438 16.5438 16.5765 16.5765 k = 0.0577 0.0333 0.3096 ( 2058 PWs) bands (ev): -5.1693 -5.1693 -5.1325 -5.1325 -4.2236 -4.2236 -4.2224 -4.2224 -3.8915 -3.8915 -3.7756 -3.7756 -3.4038 -3.4038 -3.3992 -3.3992 -3.2170 -3.2170 -3.2148 -3.2148 -2.9099 -2.9099 -2.8297 -2.8297 6.1780 6.1780 6.1844 6.1844 8.9364 8.9364 8.9815 8.9815 9.0718 9.0718 9.0791 9.0791 12.0381 12.0381 12.0701 12.0701 16.5289 16.5289 16.5680 16.5680 k = 0.0673 0.0389 0.3096 ( 2050 PWs) bands (ev): -5.1726 -5.1726 -5.1303 -5.1303 -4.2215 -4.2215 -4.2197 -4.2197 -3.8994 -3.8994 -3.7661 -3.7661 -3.4023 -3.4023 -3.3963 -3.3963 -3.2188 -3.2188 -3.2153 -3.2153 -2.9054 -2.9054 -2.8137 -2.8137 6.1731 6.1731 6.1805 6.1805 8.8838 8.8838 8.9341 8.9341 9.0561 9.0561 9.0638 9.0638 12.0830 12.0830 12.1188 12.1188 16.5117 16.5117 16.5571 16.5571 k = 0.0769 0.0444 0.3096 ( 2048 PWs) bands (ev): -5.1759 -5.1759 -5.1284 -5.1284 -4.2192 -4.2192 -4.2166 -4.2166 -3.9067 -3.9067 -3.7570 -3.7570 -3.4007 -3.4007 -3.3929 -3.3929 -3.2208 -3.2208 -3.2158 -3.2158 -2.8988 -2.8988 -2.7966 -2.7966 6.1670 6.1670 6.1755 6.1755 8.8265 8.8265 8.8816 8.8816 9.0383 9.0383 9.0464 9.0464 12.1326 12.1326 12.1718 12.1718 16.4924 16.4924 16.5438 16.5438 k = 0.0865 0.0500 0.3096 ( 2048 PWs) bands (ev): -5.1793 -5.1793 -5.1268 -5.1268 -4.2167 -4.2167 -4.2131 -4.2131 -3.9134 -3.9134 -3.7483 -3.7483 -3.3990 -3.3990 -3.3892 -3.3892 -3.2231 -3.2231 -3.2163 -3.2163 -2.8903 -2.8903 -2.7784 -2.7784 6.1596 6.1596 6.1692 6.1692 8.7655 8.7655 8.8250 8.8250 9.0186 9.0186 9.0270 9.0270 12.1861 12.1861 12.2281 12.2281 16.4708 16.4708 16.5280 16.5280 k = 0.0962 0.0555 0.3096 ( 2042 PWs) bands (ev): -5.1826 -5.1826 -5.1256 -5.1256 -4.2141 -4.2141 -4.2092 -4.2092 -3.9193 -3.9193 -3.7398 -3.7398 -3.3972 -3.3972 -3.3851 -3.3851 -3.2254 -3.2254 -3.2166 -3.2166 -2.8797 -2.8797 -2.7590 -2.7590 6.1507 6.1507 6.1613 6.1613 8.7017 8.7017 8.7652 8.7652 8.9968 8.9968 9.0057 9.0057 12.2426 12.2426 12.2870 12.2870 16.4470 16.4470 16.5097 16.5097 k = 0.1058 0.0611 0.3096 ( 2034 PWs) bands (ev): -5.1859 -5.1859 -5.1246 -5.1246 -4.2112 -4.2112 -4.2051 -4.2051 -3.9245 -3.9245 -3.7318 -3.7318 -3.3953 -3.3953 -3.3807 -3.3807 -3.2278 -3.2278 -3.2168 -3.2168 -2.8671 -2.8671 -2.7385 -2.7385 6.1400 6.1400 6.1515 6.1515 8.6360 8.6360 8.7030 8.7030 8.9734 8.9734 8.9826 8.9826 12.3014 12.3014 12.3477 12.3477 16.4211 16.4211 16.4889 16.4889 k = 0.1154 0.0666 0.3096 ( 2034 PWs) bands (ev): -5.1892 -5.1892 -5.1241 -5.1241 -4.2083 -4.2083 -4.2006 -4.2006 -3.9289 -3.9289 -3.7243 -3.7243 -3.3934 -3.3934 -3.3762 -3.3762 -3.2303 -3.2303 -3.2169 -3.2169 -2.8525 -2.8525 -2.7170 -2.7170 6.1272 6.1272 6.1396 6.1396 8.5693 8.5693 8.6395 8.6395 8.9481 8.9481 8.9577 8.9577 12.3618 12.3618 12.4096 12.4096 16.3932 16.3932 16.4656 16.4656 k = 0.1250 0.0722 0.3096 ( 2036 PWs) bands (ev): -5.1925 -5.1925 -5.1240 -5.1240 -4.2053 -4.2053 -4.1960 -4.1960 -3.9325 -3.9325 -3.7172 -3.7172 -3.3916 -3.3916 -3.3714 -3.3714 -3.2327 -3.2327 -3.2168 -3.2168 -2.8358 -2.8358 -2.6944 -2.6944 6.1120 6.1120 6.1253 6.1253 8.5024 8.5024 8.5753 8.5753 8.9212 8.9212 8.9312 8.9312 12.4229 12.4229 12.4719 12.4719 16.3635 16.3635 16.4400 16.4400 k = 0.1346 0.0777 0.3096 ( 2044 PWs) bands (ev): -5.1958 -5.1958 -5.1243 -5.1243 -4.2023 -4.2023 -4.1913 -4.1913 -3.9351 -3.9351 -3.7105 -3.7105 -3.3898 -3.3898 -3.3666 -3.3666 -3.2351 -3.2351 -3.2165 -3.2165 -2.8170 -2.8170 -2.6707 -2.6707 6.0941 6.0941 6.1081 6.1081 8.4360 8.4360 8.5114 8.5114 8.8927 8.8927 8.9031 8.9031 12.4842 12.4842 12.5340 12.5340 16.3323 16.3323 16.4121 16.4121 k = 0.1442 0.0833 0.3096 ( 2040 PWs) bands (ev): -5.1991 -5.1991 -5.1249 -5.1249 -4.1991 -4.1991 -4.1865 -4.1865 -3.9367 -3.9367 -3.7041 -3.7041 -3.3880 -3.3880 -3.3617 -3.3617 -3.2372 -3.2372 -3.2159 -3.2159 -2.7963 -2.7963 -2.6460 -2.6460 6.0732 6.0732 6.0878 6.0878 8.3711 8.3711 8.4485 8.4485 8.8630 8.8630 8.8738 8.8738 12.5450 12.5450 12.5953 12.5953 16.2998 16.2998 16.3823 16.3823 k = 0.1538 0.0888 0.3096 ( 2040 PWs) bands (ev): -5.2024 -5.2024 -5.1261 -5.1261 -4.1960 -4.1960 -4.1817 -4.1817 -3.9372 -3.9372 -3.6982 -3.6982 -3.3862 -3.3862 -3.3569 -3.3569 -3.2391 -3.2391 -3.2152 -3.2152 -2.7736 -2.7736 -2.6202 -2.6202 6.0489 6.0489 6.0640 6.0640 8.3083 8.3083 8.3873 8.3873 8.8320 8.8320 8.8431 8.8431 12.6048 12.6048 12.6553 12.6553 16.2664 16.2664 16.3509 16.3509 k = 0.1635 0.0944 0.3096 ( 2036 PWs) bands (ev): -5.2057 -5.2057 -5.1276 -5.1276 -4.1928 -4.1928 -4.1770 -4.1770 -3.9367 -3.9367 -3.6926 -3.6926 -3.3846 -3.3846 -3.3523 -3.3523 -3.2407 -3.2407 -3.2142 -3.2142 -2.7489 -2.7489 -2.5935 -2.5935 6.0211 6.0211 6.0364 6.0364 8.2483 8.2483 8.3286 8.3286 8.7999 8.7999 8.8113 8.8113 12.6630 12.6630 12.7134 12.7134 16.2325 16.2325 16.3183 16.3183 k = 0.1731 0.0999 0.3096 ( 2034 PWs) bands (ev): -5.2090 -5.2090 -5.1296 -5.1296 -4.1897 -4.1897 -4.1725 -4.1725 -3.9350 -3.9350 -3.6873 -3.6873 -3.3830 -3.3830 -3.3478 -3.3478 -3.2420 -3.2420 -3.2130 -3.2130 -2.7223 -2.7223 -2.5657 -2.5657 5.9892 5.9892 6.0047 6.0047 8.1916 8.1916 8.2727 8.2727 8.7669 8.7669 8.7786 8.7786 12.7192 12.7192 12.7692 12.7692 16.1986 16.1986 16.2849 16.2849 k = 0.1827 0.1055 0.3096 ( 2042 PWs) bands (ev): -5.2124 -5.2124 -5.1321 -5.1321 -4.1867 -4.1867 -4.1683 -4.1683 -3.9322 -3.9322 -3.6824 -3.6824 -3.3816 -3.3816 -3.3438 -3.3438 -3.2428 -3.2428 -3.2115 -3.2115 -2.6939 -2.6939 -2.5369 -2.5369 5.9533 5.9533 5.9686 5.9686 8.1387 8.1387 8.2204 8.2204 8.7329 8.7329 8.7449 8.7449 12.7728 12.7728 12.8222 12.8222 16.1651 16.1651 16.2511 16.2511 k = 0.1923 0.1110 0.3096 ( 2050 PWs) bands (ev): -5.2158 -5.2158 -5.1349 -5.1349 -4.1837 -4.1837 -4.1644 -4.1644 -3.9283 -3.9283 -3.6777 -3.6777 -3.3802 -3.3802 -3.3400 -3.3400 -3.2431 -3.2431 -3.2098 -3.2098 -2.6637 -2.6637 -2.5072 -2.5072 5.9130 5.9130 5.9279 5.9279 8.0902 8.0902 8.1719 8.1719 8.6982 8.6982 8.7104 8.7104 12.8235 12.8235 12.8721 12.8721 16.1324 16.1324 16.2176 16.2176 k = 0.2019 0.1166 0.3096 ( 2046 PWs) bands (ev): -5.2192 -5.2192 -5.1381 -5.1381 -4.1808 -4.1808 -4.1609 -4.1609 -3.9232 -3.9232 -3.6733 -3.6733 -3.3789 -3.3789 -3.3367 -3.3367 -3.2429 -3.2429 -3.2079 -3.2079 -2.6318 -2.6318 -2.4764 -2.4764 5.8683 5.8683 5.8826 5.8826 8.0463 8.0463 8.1277 8.1277 8.6630 8.6630 8.6755 8.6755 12.8709 12.8709 12.9184 12.9184 16.1012 16.1012 16.1849 16.1849 k = 0.2115 0.1221 0.3096 ( 2050 PWs) bands (ev): -5.2226 -5.2226 -5.1417 -5.1417 -4.1779 -4.1779 -4.1578 -4.1578 -3.9171 -3.9171 -3.6691 -3.6691 -3.3778 -3.3778 -3.3338 -3.3338 -3.2422 -3.2422 -3.2057 -3.2057 -2.5982 -2.5982 -2.4448 -2.4448 5.8192 5.8192 5.8327 5.8327 8.0073 8.0073 8.0879 8.0879 8.6274 8.6274 8.6400 8.6400 12.9146 12.9146 12.9608 12.9608 16.0717 16.0717 16.1534 16.1534 k = 0.2212 0.1277 0.3096 ( 2054 PWs) bands (ev): -5.2260 -5.2260 -5.1456 -5.1456 -4.1753 -4.1753 -4.1551 -4.1551 -3.9099 -3.9099 -3.6652 -3.6652 -3.3767 -3.3767 -3.3313 -3.3313 -3.2410 -3.2410 -3.2034 -3.2034 -2.5631 -2.5631 -2.4122 -2.4122 5.7657 5.7657 5.7782 5.7782 7.9731 7.9731 8.0528 8.0528 8.5916 8.5916 8.6043 8.6043 12.9545 12.9545 12.9992 12.9992 16.0445 16.0445 16.1237 16.1237 k = 0.2308 0.1332 0.3096 ( 2050 PWs) bands (ev): -5.2293 -5.2293 -5.1499 -5.1499 -4.1727 -4.1727 -4.1528 -4.1528 -3.9018 -3.9018 -3.6614 -3.6614 -3.3757 -3.3757 -3.3293 -3.3293 -3.2391 -3.2391 -3.2008 -3.2008 -2.5266 -2.5266 -2.3788 -2.3788 5.7081 5.7081 5.7194 5.7194 7.9440 7.9440 8.0222 8.0222 8.5555 8.5555 8.5684 8.5684 12.9902 12.9902 13.0333 13.0333 16.0198 16.0198 16.0961 16.0961 k = 0.2404 0.1388 0.3096 ( 2050 PWs) bands (ev): -5.2327 -5.2327 -5.1544 -5.1544 -4.1702 -4.1702 -4.1508 -4.1508 -3.8929 -3.8929 -3.6579 -3.6579 -3.3748 -3.3748 -3.3278 -3.3278 -3.2368 -3.2368 -3.1981 -3.1981 -2.4888 -2.4888 -2.3446 -2.3446 5.6466 5.6466 5.6565 5.6565 7.9196 7.9196 7.9962 7.9962 8.5195 8.5195 8.5325 8.5325 13.0217 13.0217 13.0629 13.0629 15.9980 15.9980 16.0710 16.0710 k = 0.2500 0.1443 0.3096 ( 2054 PWs) bands (ev): -5.2361 -5.2361 -5.1592 -5.1592 -4.1679 -4.1679 -4.1492 -4.1492 -3.8832 -3.8832 -3.6546 -3.6546 -3.3740 -3.3740 -3.3266 -3.3266 -3.2341 -3.2341 -3.1952 -3.1952 -2.4497 -2.4497 -2.3096 -2.3096 5.5814 5.5814 5.5899 5.5899 7.8997 7.8997 7.9745 7.9745 8.4835 8.4835 8.4966 8.4966 13.0489 13.0489 13.0881 13.0881 15.9791 15.9791 16.0487 16.0487 k = 0.2596 0.1499 0.3096 ( 2058 PWs) bands (ev): -5.2395 -5.2395 -5.1643 -5.1643 -4.1658 -4.1658 -4.1480 -4.1480 -3.8730 -3.8730 -3.6515 -3.6515 -3.3732 -3.3732 -3.3257 -3.3257 -3.2310 -3.2310 -3.1923 -3.1923 -2.4096 -2.4096 -2.2739 -2.2739 5.5131 5.5131 5.5201 5.5201 7.8842 7.8842 7.9569 7.9569 8.4479 8.4479 8.4610 8.4610 13.0716 13.0716 13.1088 13.1088 15.9635 15.9635 16.0293 16.0293 k = 0.2692 0.1554 0.3096 ( 2054 PWs) bands (ev): -5.2428 -5.2428 -5.1695 -5.1695 -4.1638 -4.1638 -4.1470 -4.1470 -3.8623 -3.8623 -3.6485 -3.6485 -3.3724 -3.3724 -3.3251 -3.3251 -3.2275 -3.2275 -3.1892 -3.1892 -2.3685 -2.3685 -2.2376 -2.2376 5.4420 5.4420 5.4476 5.4476 7.8727 7.8727 7.9432 7.9432 8.4126 8.4126 8.4257 8.4257 13.0901 13.0901 13.1252 13.1252 15.9510 15.9510 16.0131 16.0131 k = 0.2788 0.1610 0.3096 ( 2058 PWs) bands (ev): -5.2460 -5.2460 -5.1749 -5.1749 -4.1619 -4.1619 -4.1462 -4.1462 -3.8512 -3.8512 -3.6458 -3.6458 -3.3717 -3.3717 -3.3247 -3.3247 -3.2238 -3.2238 -3.1860 -3.1860 -2.3267 -2.3267 -2.2008 -2.2008 5.3686 5.3686 5.3728 5.3728 7.8649 7.8649 7.9331 7.9331 8.3778 8.3778 8.3909 8.3909 13.1044 13.1044 13.1374 13.1374 15.9417 15.9417 16.0000 16.0000 k = 0.2885 0.1665 0.3096 ( 2062 PWs) bands (ev): -5.2493 -5.2493 -5.1804 -5.1804 -4.1603 -4.1603 -4.1457 -4.1457 -3.8399 -3.8399 -3.6432 -3.6432 -3.3709 -3.3709 -3.3245 -3.3245 -3.2200 -3.2200 -3.1828 -3.1828 -2.2842 -2.2842 -2.1636 -2.1636 5.2935 5.2935 5.2962 5.2962 7.8603 7.8603 7.9261 7.9261 8.3436 8.3436 8.3567 8.3567 13.1148 13.1148 13.1456 13.1456 15.9355 15.9355 15.9900 15.9900 k = 0.2981 0.1721 0.3096 ( 2066 PWs) bands (ev): -5.2524 -5.2524 -5.1860 -5.1860 -4.1587 -4.1587 -4.1453 -4.1453 -3.8284 -3.8284 -3.6409 -3.6409 -3.3702 -3.3702 -3.3244 -3.3244 -3.2159 -3.2159 -3.1796 -3.1796 -2.2412 -2.2412 -2.1261 -2.1261 5.2170 5.2170 5.2185 5.2185 7.8586 7.8586 7.9219 7.9219 8.3102 8.3102 8.3232 8.3232 13.1214 13.1214 13.1501 13.1501 15.9323 15.9323 15.9830 15.9830 k = 0.3077 0.1776 0.3096 ( 2066 PWs) bands (ev): -5.2554 -5.2554 -5.1916 -5.1916 -4.1573 -4.1573 -4.1451 -4.1451 -3.8168 -3.8168 -3.6387 -3.6387 -3.3694 -3.3694 -3.3245 -3.3245 -3.2117 -3.2117 -3.1764 -3.1764 -2.1979 -2.1979 -2.0884 -2.0884 5.1399 5.1399 5.1401 5.1401 7.8594 7.8594 7.9203 7.9203 8.2776 8.2776 8.2906 8.2906 13.1246 13.1246 13.1512 13.1512 15.9317 15.9317 15.9788 15.9788 k = 0.3173 0.1832 0.3096 ( 2070 PWs) bands (ev): -5.2584 -5.2584 -5.1973 -5.1973 -4.1561 -4.1561 -4.1450 -4.1450 -3.8053 -3.8053 -3.6368 -3.6368 -3.3685 -3.3685 -3.3246 -3.3246 -3.2075 -3.2075 -3.1732 -3.1732 -2.1544 -2.1544 -2.0507 -2.0507 5.0615 5.0615 5.0624 5.0624 7.8623 7.8623 7.9207 7.9207 8.2461 8.2461 8.2590 8.2590 13.1247 13.1247 13.1493 13.1493 15.9336 15.9336 15.9772 15.9772 k = 0.3269 0.1887 0.3096 ( 2066 PWs) bands (ev): -5.2612 -5.2612 -5.2029 -5.2029 -4.1549 -4.1549 -4.1449 -4.1449 -3.7938 -3.7938 -3.6351 -3.6351 -3.3676 -3.3676 -3.3247 -3.3247 -3.2033 -3.2033 -3.1701 -3.1701 -2.1111 -2.1111 -2.0132 -2.0132 4.9834 4.9834 4.9852 4.9852 7.8671 7.8671 7.9229 7.9229 8.2158 8.2158 8.2286 8.2286 13.1220 13.1220 13.1448 13.1448 15.9378 15.9378 15.9780 15.9780 k = 0.3365 0.1943 0.3096 ( 2074 PWs) bands (ev): -5.2639 -5.2639 -5.2085 -5.2085 -4.1539 -4.1539 -4.1450 -4.1450 -3.7826 -3.7826 -3.6337 -3.6337 -3.3666 -3.3666 -3.3250 -3.3250 -3.1990 -3.1990 -3.1671 -3.1671 -2.0680 -2.0680 -1.9759 -1.9759 4.9061 4.9061 4.9087 4.9087 7.8732 7.8732 7.9265 7.9265 8.1867 8.1867 8.1994 8.1994 13.1170 13.1170 13.1379 13.1379 15.9438 15.9438 15.9808 15.9808 k = 0.3462 0.1999 0.3096 ( 2074 PWs) bands (ev): -5.2664 -5.2664 -5.2141 -5.2141 -4.1530 -4.1530 -4.1451 -4.1451 -3.7716 -3.7716 -3.6325 -3.6325 -3.3656 -3.3656 -3.3253 -3.3253 -3.1948 -3.1948 -3.1642 -3.1642 -2.0254 -2.0254 -1.9392 -1.9392 4.8302 4.8302 4.8335 4.8335 7.8804 7.8804 7.9311 7.9311 8.1591 8.1591 8.1716 8.1716 13.1100 13.1100 13.1292 13.1292 15.9514 15.9514 15.9854 15.9854 k = 0.3558 0.2054 0.3096 ( 2074 PWs) bands (ev): -5.2688 -5.2688 -5.2195 -5.2195 -4.1523 -4.1523 -4.1453 -4.1453 -3.7608 -3.7608 -3.6315 -3.6315 -3.3644 -3.3644 -3.3256 -3.3256 -3.1906 -3.1906 -3.1614 -3.1614 -1.9835 -1.9835 -1.9031 -1.9031 4.7561 4.7561 4.7599 4.7599 7.8883 7.8883 7.9364 7.9364 8.1330 8.1330 8.1453 8.1453 13.1015 13.1015 13.1190 13.1190 15.9604 15.9604 15.9915 15.9915 k = 0.3654 0.2110 0.3096 ( 2078 PWs) bands (ev): -5.2710 -5.2710 -5.2249 -5.2249 -4.1516 -4.1516 -4.1455 -4.1455 -3.7504 -3.7504 -3.6308 -3.6308 -3.3632 -3.3632 -3.3260 -3.3260 -3.1865 -3.1865 -3.1588 -3.1588 -1.9425 -1.9425 -1.8679 -1.8679 4.6842 4.6842 4.6885 4.6885 7.8965 7.8965 7.9418 7.9418 8.1089 8.1089 8.1208 8.1208 13.0917 13.0917 13.1077 13.1077 15.9703 15.9703 15.9987 15.9987 k = 0.3750 0.2165 0.3096 ( 2078 PWs) bands (ev): -5.2731 -5.2730 -5.2301 -5.2301 -4.1510 -4.1510 -4.1457 -4.1457 -3.7404 -3.7404 -3.6303 -3.6303 -3.3619 -3.3619 -3.3265 -3.3265 -3.1825 -3.1825 -3.1564 -3.1564 -1.9028 -1.9028 -1.8339 -1.8339 4.6152 4.6152 4.6197 4.6197 7.9046 7.9046 7.9470 7.9470 8.0869 8.0869 8.0983 8.0983 13.0811 13.0811 13.0956 13.0956 15.9810 15.9810 16.0069 16.0069 k = 0.3846 0.2221 0.3096 ( 2084 PWs) bands (ev): -5.2749 -5.2749 -5.2351 -5.2351 -4.1506 -4.1506 -4.1459 -4.1459 -3.7309 -3.7309 -3.6301 -3.6301 -3.3605 -3.3605 -3.3270 -3.3270 -3.1787 -3.1787 -3.1542 -3.1542 -1.8644 -1.8644 -1.8012 -1.8012 4.5492 4.5492 4.5539 4.5539 7.9121 7.9121 7.9513 7.9513 8.0677 8.0677 8.0781 8.0781 13.0699 13.0699 13.0831 13.0831 15.9921 15.9921 16.0156 16.0156 k = 0.3942 0.2276 0.3096 ( 2084 PWs) bands (ev): -5.2764 -5.2764 -5.2399 -5.2399 -4.1501 -4.1501 -4.1461 -4.1461 -3.7217 -3.7217 -3.6302 -3.6302 -3.3590 -3.3590 -3.3276 -3.3276 -3.1749 -3.1749 -3.1521 -3.1521 -1.8277 -1.8277 -1.7702 -1.7702 4.4868 4.4868 4.4916 4.4916 7.9185 7.9185 7.9537 7.9537 8.0518 8.0518 8.0607 8.0607 13.0586 13.0586 13.0705 13.0705 16.0035 16.0035 16.0247 16.0247 k = 0.4038 0.2332 0.3096 ( 2078 PWs) bands (ev): -5.2778 -5.2778 -5.2445 -5.2445 -4.1498 -4.1498 -4.1463 -4.1463 -3.7130 -3.7130 -3.6306 -3.6306 -3.3574 -3.3574 -3.3282 -3.3282 -3.1713 -3.1713 -3.1503 -3.1503 -1.7929 -1.7929 -1.7409 -1.7409 4.4284 4.4284 4.4331 4.4331 7.9233 7.9233 7.9535 7.9535 8.0403 8.0403 8.0465 8.0465 13.0473 13.0473 13.0579 13.0579 16.0148 16.0148 16.0338 16.0338 k = 0.4135 0.2387 0.3096 ( 2072 PWs) bands (ev): -5.2789 -5.2789 -5.2489 -5.2489 -4.1494 -4.1494 -4.1465 -4.1465 -3.7047 -3.7047 -3.6312 -3.6312 -3.3558 -3.3558 -3.3290 -3.3290 -3.1679 -3.1679 -3.1487 -3.1487 -1.7603 -1.7603 -1.7138 -1.7138 4.3743 4.3743 4.3788 4.3788 7.9256 7.9256 7.9500 7.9500 8.0333 8.0333 8.0361 8.0361 13.0364 13.0364 13.0458 13.0458 16.0259 16.0259 16.0429 16.0429 k = 0.4231 0.2443 0.3096 ( 2072 PWs) bands (ev): -5.2797 -5.2797 -5.2530 -5.2530 -4.1492 -4.1492 -4.1468 -4.1468 -3.6970 -3.6970 -3.6322 -3.6322 -3.3541 -3.3541 -3.3298 -3.3298 -3.1646 -3.1646 -3.1474 -3.1474 -1.7301 -1.7301 -1.6890 -1.6890 4.3248 4.3248 4.3291 4.3291 7.9253 7.9253 7.9435 7.9435 8.0296 8.0296 8.0306 8.0306 13.0260 13.0260 13.0343 13.0343 16.0365 16.0365 16.0514 16.0514 k = 0.4327 0.2498 0.3096 ( 2072 PWs) bands (ev): -5.2803 -5.2803 -5.2569 -5.2569 -4.1490 -4.1490 -4.1470 -4.1470 -3.6897 -3.6897 -3.6334 -3.6334 -3.3524 -3.3524 -3.3307 -3.3307 -3.1616 -3.1616 -3.1464 -3.1464 -1.7025 -1.7025 -1.6667 -1.6667 4.2804 4.2804 4.2843 4.2843 7.9225 7.9225 7.9354 7.9354 8.0267 8.0267 8.0306 8.0306 13.0165 13.0165 13.0237 13.0237 16.0464 16.0464 16.0594 16.0594 k = 0.4423 0.2554 0.3096 ( 2072 PWs) bands (ev): -5.2806 -5.2806 -5.2606 -5.2606 -4.1488 -4.1488 -4.1472 -4.1472 -3.6829 -3.6829 -3.6350 -3.6350 -3.3506 -3.3506 -3.3318 -3.3318 -3.1588 -3.1588 -3.1456 -3.1456 -1.6778 -1.6778 -1.6472 -1.6472 4.2412 4.2412 4.2448 4.2448 7.9180 7.9180 7.9269 7.9269 8.0267 8.0267 8.0322 8.0322 13.0079 13.0079 13.0140 13.0140 16.0555 16.0555 16.0666 16.0666 k = 0.4519 0.2609 0.3096 ( 2076 PWs) bands (ev): -5.2806 -5.2806 -5.2639 -5.2639 -4.1487 -4.1487 -4.1474 -4.1474 -3.6766 -3.6766 -3.6369 -3.6369 -3.3488 -3.3488 -3.3329 -3.3329 -3.1562 -3.1562 -3.1452 -3.1452 -1.6561 -1.6561 -1.6308 -1.6308 4.2077 4.2077 4.2107 4.2107 7.9127 7.9127 7.9188 7.9188 8.0283 8.0283 8.0343 8.0343 13.0004 13.0004 13.0055 13.0055 16.0636 16.0636 16.0728 16.0728 k = 0.4615 0.2665 0.3096 ( 2072 PWs) bands (ev): -5.2803 -5.2803 -5.2669 -5.2669 -4.1485 -4.1485 -4.1475 -4.1475 -3.6707 -3.6707 -3.6392 -3.6392 -3.3470 -3.3470 -3.3341 -3.3341 -3.1539 -3.1539 -3.1450 -3.1450 -1.6377 -1.6377 -1.6175 -1.6175 4.1800 4.1800 4.1825 4.1825 7.9077 7.9077 7.9117 7.9117 8.0308 8.0308 8.0364 8.0364 12.9942 12.9942 12.9983 12.9983 16.0707 16.0707 16.0780 16.0780 k = 0.4712 0.2720 0.3096 ( 2072 PWs) bands (ev): -5.2797 -5.2797 -5.2697 -5.2697 -4.1484 -4.1484 -4.1477 -4.1477 -3.6653 -3.6653 -3.6418 -3.6418 -3.3452 -3.3452 -3.3355 -3.3355 -3.1518 -3.1518 -3.1451 -3.1451 -1.6226 -1.6226 -1.6075 -1.6075 4.1583 4.1583 4.1602 4.1602 7.9033 7.9033 7.9059 7.9059 8.0335 8.0335 8.0381 8.0381 12.9894 12.9894 12.9925 12.9925 16.0765 16.0765 16.0820 16.0820 k = 0.4808 0.2776 0.3096 ( 2072 PWs) bands (ev): -5.2788 -5.2788 -5.2721 -5.2721 -4.1483 -4.1483 -4.1478 -4.1478 -3.6604 -3.6604 -3.6447 -3.6447 -3.3434 -3.3434 -3.3369 -3.3369 -3.1500 -3.1500 -3.1455 -3.1455 -1.6111 -1.6111 -1.6010 -1.6010 4.1428 4.1428 4.1441 4.1441 7.9000 7.9000 7.9016 7.9016 8.0359 8.0359 8.0392 8.0392 12.9861 12.9861 12.9881 12.9881 16.0809 16.0809 16.0846 16.0846 k = 0.4904 0.2831 0.3096 ( 2072 PWs) bands (ev): -5.2776 -5.2776 -5.2743 -5.2743 -4.1482 -4.1482 -4.1479 -4.1479 -3.6558 -3.6558 -3.6480 -3.6480 -3.3417 -3.3417 -3.3384 -3.3384 -3.1484 -3.1484 -3.1462 -3.1462 -1.6031 -1.6031 -1.5981 -1.5981 4.1335 4.1335 4.1342 4.1342 7.8981 7.8981 7.8989 7.8989 8.0378 8.0378 8.0395 8.0395 12.9843 12.9843 12.9853 12.9853 16.0840 16.0840 16.0858 16.0858 k = 0.5000 0.2887 0.3096 ( 2068 PWs) bands (ev): -5.2761 -5.2761 -5.2761 -5.2761 -4.1480 -4.1480 -4.1480 -4.1480 -3.6517 -3.6517 -3.6517 -3.6517 -3.3400 -3.3400 -3.3400 -3.3400 -3.1472 -3.1472 -3.1472 -3.1472 -1.5987 -1.5987 -1.5987 -1.5987 4.1307 4.1307 4.1307 4.1307 7.8977 7.8977 7.8977 7.8977 8.0390 8.0390 8.0390 8.0390 12.9840 12.9840 12.9840 12.9840 16.0856 16.0856 16.0856 16.0856 k = 0.5000 0.2887 0.3096 ( 2068 PWs) bands (ev): -5.2761 -5.2761 -5.2761 -5.2761 -4.1480 -4.1480 -4.1480 -4.1480 -3.6517 -3.6517 -3.6517 -3.6517 -3.3400 -3.3400 -3.3400 -3.3400 -3.1472 -3.1472 -3.1472 -3.1472 -1.5987 -1.5987 -1.5987 -1.5987 4.1307 4.1307 4.1307 4.1307 7.8977 7.8977 7.8977 7.8977 8.0390 8.0390 8.0390 8.0390 12.9840 12.9840 12.9840 12.9840 16.0856 16.0856 16.0856 16.0856 k = 0.4944 0.2983 0.3096 ( 2066 PWs) bands (ev): -5.2796 -5.2796 -5.2725 -5.2725 -4.1498 -4.1498 -4.1460 -4.1460 -3.6594 -3.6594 -3.6446 -3.6446 -3.3421 -3.3421 -3.3377 -3.3377 -3.1483 -3.1483 -3.1462 -3.1462 -1.6032 -1.6032 -1.5929 -1.5929 4.1310 4.1310 4.1318 4.1318 7.8686 7.8686 7.9096 7.9096 8.0238 8.0238 8.0631 8.0631 12.9854 12.9854 12.9919 12.9919 16.0858 16.0858 16.0868 16.0868 k = 0.4889 0.3079 0.3096 ( 2070 PWs) bands (ev): -5.2830 -5.2830 -5.2688 -5.2688 -4.1515 -4.1515 -4.1439 -4.1439 -3.6675 -3.6675 -3.6380 -3.6380 -3.3440 -3.3440 -3.3353 -3.3353 -3.1496 -3.1496 -3.1454 -3.1454 -1.6063 -1.6063 -1.5858 -1.5858 4.1326 4.1326 4.1344 4.1344 7.8297 7.8297 7.8953 7.8953 8.0263 8.0263 8.0883 8.0883 12.9960 12.9960 13.0090 13.0090 16.0873 16.0873 16.0893 16.0893 k = 0.4833 0.3175 0.3096 ( 2078 PWs) bands (ev): -5.2863 -5.2863 -5.2651 -5.2651 -4.1530 -4.1530 -4.1415 -4.1415 -3.6760 -3.6760 -3.6320 -3.6320 -3.3458 -3.3458 -3.3328 -3.3328 -3.1511 -3.1511 -3.1448 -3.1448 -1.6081 -1.6081 -1.5774 -1.5774 4.1357 4.1357 4.1384 4.1384 7.7839 7.7839 7.8602 7.8602 8.0415 8.0415 8.1120 8.1120 13.0157 13.0157 13.0349 13.0349 16.0901 16.0901 16.0931 16.0931 k = 0.4778 0.3272 0.3096 ( 2078 PWs) bands (ev): -5.2894 -5.2894 -5.2612 -5.2612 -4.1542 -4.1542 -4.1389 -4.1389 -3.6849 -3.6849 -3.6265 -3.6265 -3.3472 -3.3472 -3.3301 -3.3301 -3.1527 -3.1527 -3.1443 -3.1443 -1.6084 -1.6084 -1.5678 -1.5678 4.1402 4.1402 4.1437 4.1437 7.7323 7.7323 7.8138 7.8138 8.0606 8.0606 8.1334 8.1334 13.0443 13.0443 13.0693 13.0693 16.0941 16.0941 16.0981 16.0981 k = 0.4722 0.3368 0.3096 ( 2082 PWs) bands (ev): -5.2924 -5.2924 -5.2574 -5.2574 -4.1554 -4.1554 -4.1362 -4.1362 -3.6941 -3.6941 -3.6216 -3.6216 -3.3484 -3.3484 -3.3274 -3.3274 -3.1544 -3.1544 -3.1441 -3.1441 -1.6074 -1.6074 -1.5570 -1.5570 4.1461 4.1461 4.1505 4.1505 7.6752 7.6752 7.7601 7.7601 8.0799 8.0799 8.1526 8.1526 13.0812 13.0812 13.1117 13.1117 16.0993 16.0993 16.1043 16.1043 k = 0.4667 0.3464 0.3096 ( 2076 PWs) bands (ev): -5.2952 -5.2952 -5.2535 -5.2535 -4.1563 -4.1563 -4.1332 -4.1332 -3.7036 -3.7036 -3.6173 -3.6173 -3.3493 -3.3493 -3.3245 -3.3245 -3.1562 -3.1562 -3.1440 -3.1440 -1.6049 -1.6049 -1.5452 -1.5452 4.1532 4.1532 4.1585 4.1585 7.6132 7.6132 7.7008 7.7008 8.0983 8.0983 8.1697 8.1697 13.1258 13.1258 13.1614 13.1614 16.1055 16.1055 16.1115 16.1115 k = 0.4611 0.3560 0.3096 ( 2076 PWs) bands (ev): -5.2979 -5.2979 -5.2496 -5.2496 -4.1571 -4.1571 -4.1300 -4.1300 -3.7133 -3.7133 -3.6137 -3.6137 -3.3499 -3.3499 -3.3217 -3.3217 -3.1581 -3.1581 -3.1442 -3.1442 -1.6012 -1.6012 -1.5324 -1.5324 4.1617 4.1617 4.1678 4.1678 7.5465 7.5465 7.6368 7.6368 8.1155 8.1155 8.1850 8.1850 13.1777 13.1777 13.2178 13.2178 16.1125 16.1125 16.1197 16.1197 k = 0.4556 0.3657 0.3096 ( 2076 PWs) bands (ev): -5.3005 -5.3005 -5.2458 -5.2458 -4.1577 -4.1577 -4.1267 -4.1267 -3.7232 -3.7232 -3.6105 -3.6105 -3.3502 -3.3502 -3.3187 -3.3187 -3.1601 -3.1601 -3.1445 -3.1445 -1.5962 -1.5962 -1.5187 -1.5187 4.1714 4.1714 4.1783 4.1783 7.4758 7.4758 7.5687 7.5687 8.1317 8.1317 8.1988 8.1988 13.2360 13.2360 13.2801 13.2801 16.1203 16.1203 16.1285 16.1285 k = 0.4500 0.3753 0.3096 ( 2080 PWs) bands (ev): -5.3030 -5.3030 -5.2420 -5.2420 -4.1582 -4.1582 -4.1232 -4.1232 -3.7332 -3.7332 -3.6080 -3.6080 -3.3503 -3.3503 -3.3158 -3.3158 -3.1622 -3.1622 -3.1450 -3.1450 -1.5900 -1.5900 -1.5043 -1.5043 4.1823 4.1823 4.1900 4.1900 7.4014 7.4014 7.4972 7.4972 8.1468 8.1468 8.2112 8.2112 13.3000 13.3000 13.3477 13.3477 16.1285 16.1285 16.1379 16.1379 k = 0.4444 0.3849 0.3096 ( 2086 PWs) bands (ev): -5.3053 -5.3053 -5.2383 -5.2383 -4.1586 -4.1586 -4.1195 -4.1195 -3.7433 -3.7433 -3.6059 -3.6059 -3.3502 -3.3502 -3.3128 -3.3128 -3.1643 -3.1643 -3.1457 -3.1457 -1.5827 -1.5827 -1.4891 -1.4891 4.1942 4.1942 4.2027 4.2027 7.3241 7.3241 7.4228 7.4228 8.1611 8.1611 8.2226 8.2226 13.3691 13.3691 13.4198 13.4198 16.1369 16.1369 16.1475 16.1475 k = 0.4389 0.3945 0.3096 ( 2090 PWs) bands (ev): -5.3074 -5.3074 -5.2347 -5.2347 -4.1589 -4.1589 -4.1156 -4.1156 -3.7533 -3.7533 -3.6044 -3.6044 -3.3498 -3.3498 -3.3098 -3.3098 -3.1666 -3.1666 -3.1465 -3.1465 -1.5743 -1.5743 -1.4734 -1.4734 4.2072 4.2072 4.2164 4.2164 7.2444 7.2444 7.3461 7.3461 8.1746 8.1746 8.2331 8.2331 13.4424 13.4424 13.4958 13.4958 16.1452 16.1452 16.1571 16.1571 k = 0.4333 0.4041 0.3096 ( 2086 PWs) bands (ev): -5.3094 -5.3094 -5.2311 -5.2311 -4.1590 -4.1590 -4.1115 -4.1115 -3.7633 -3.7633 -3.6033 -3.6033 -3.3492 -3.3492 -3.3067 -3.3067 -3.1689 -3.1689 -3.1474 -3.1474 -1.5650 -1.5650 -1.4572 -1.4572 4.2211 4.2211 4.2310 4.2310 7.1631 7.1631 7.2677 7.2677 8.1875 8.1875 8.2430 8.2430 13.5193 13.5193 13.5749 13.5749 16.1530 16.1530 16.1664 16.1664 k = 0.4278 0.4138 0.3096 ( 2082 PWs) bands (ev): -5.3113 -5.3113 -5.2278 -5.2278 -4.1591 -4.1591 -4.1073 -4.1073 -3.7731 -3.7731 -3.6026 -3.6026 -3.3485 -3.3485 -3.3036 -3.3036 -3.1713 -3.1713 -3.1484 -3.1484 -1.5548 -1.5548 -1.4406 -1.4406 4.2357 4.2357 4.2463 4.2463 7.0807 7.0807 7.1884 7.1884 8.1998 8.1998 8.2522 8.2522 13.5990 13.5990 13.6565 13.6565 16.1598 16.1598 16.1748 16.1748 k = 0.4222 0.4234 0.3096 ( 2082 PWs) bands (ev): -5.3131 -5.3131 -5.2246 -5.2246 -4.1590 -4.1590 -4.1030 -4.1030 -3.7827 -3.7827 -3.6022 -3.6022 -3.3476 -3.3476 -3.3004 -3.3004 -3.1737 -3.1737 -3.1494 -3.1494 -1.5439 -1.5439 -1.4239 -1.4239 4.2510 4.2510 4.2622 4.2622 6.9981 6.9981 7.1086 7.1086 8.2116 8.2116 8.2609 8.2609 13.6808 13.6808 13.7399 13.7399 16.1650 16.1650 16.1819 16.1819 k = 0.4167 0.4330 0.3096 ( 2082 PWs) bands (ev): -5.3148 -5.3148 -5.2215 -5.2215 -4.1589 -4.1589 -4.0985 -4.0985 -3.7921 -3.7921 -3.6021 -3.6021 -3.3467 -3.3467 -3.2972 -3.2972 -3.1762 -3.1762 -3.1505 -3.1505 -1.5325 -1.5325 -1.4070 -1.4070 4.2668 4.2668 4.2786 4.2786 6.9158 6.9158 7.0291 7.0291 8.2229 8.2229 8.2692 8.2692 13.7642 13.7642 13.8247 13.8247 16.1677 16.1677 16.1868 16.1868 k = 0.4111 0.4426 0.3096 ( 2066 PWs) bands (ev): -5.3163 -5.3163 -5.2187 -5.2187 -4.1587 -4.1587 -4.0939 -4.0939 -3.8012 -3.8012 -3.6023 -3.6023 -3.3456 -3.3456 -3.2939 -3.2939 -3.1788 -3.1788 -3.1516 -3.1516 -1.5205 -1.5205 -1.3901 -1.3901 4.2829 4.2829 4.2952 4.2952 6.8346 6.8346 6.9506 6.9506 8.2339 8.2339 8.2772 8.2772 13.8486 13.8486 13.9102 13.9102 16.1669 16.1669 16.1887 16.1887 k = 0.4056 0.4523 0.3096 ( 2070 PWs) bands (ev): -5.3177 -5.3177 -5.2160 -5.2160 -4.1585 -4.1585 -4.0894 -4.0894 -3.8100 -3.8100 -3.6027 -3.6027 -3.3446 -3.3446 -3.2907 -3.2907 -3.1814 -3.1814 -3.1527 -3.1527 -1.5083 -1.5083 -1.3734 -1.3734 4.2992 4.2992 4.3120 4.3120 6.7551 6.7551 6.8737 6.8737 8.2443 8.2443 8.2846 8.2846 13.9332 13.9332 13.9959 13.9959 16.1608 16.1608 16.1860 16.1860 k = 0.4000 0.4619 0.3096 ( 2078 PWs) bands (ev): -5.3190 -5.3190 -5.2136 -5.2136 -4.1583 -4.1583 -4.0849 -4.0849 -3.8183 -3.8183 -3.6033 -3.6033 -3.3437 -3.3437 -3.2874 -3.2874 -3.1841 -3.1841 -3.1538 -3.1538 -1.4960 -1.4960 -1.3571 -1.3571 4.3153 4.3153 4.3285 4.3285 6.6781 6.6781 6.7990 6.7990 8.2542 8.2542 8.2916 8.2917 14.0175 14.0175 14.0813 14.0813 16.1477 16.1477 16.1771 16.1771 k = 0.3944 0.4715 0.3096 ( 2074 PWs) bands (ev): -5.3203 -5.3203 -5.2115 -5.2115 -4.1580 -4.1580 -4.0803 -4.0803 -3.8262 -3.8262 -3.6039 -3.6039 -3.3427 -3.3427 -3.2841 -3.2841 -3.1868 -3.1868 -3.1549 -3.1549 -1.4836 -1.4836 -1.3412 -1.3412 4.3311 4.3311 4.3447 4.3447 6.6042 6.6042 6.7274 6.7274 8.2638 8.2638 8.2983 8.2983 14.1011 14.1011 14.1659 14.1659 16.1252 16.1252 16.1600 16.1600 k = 0.3889 0.4811 0.3096 ( 2078 PWs) bands (ev): -5.3214 -5.3214 -5.2095 -5.2095 -4.1578 -4.1578 -4.0759 -4.0759 -3.8335 -3.8335 -3.6047 -3.6047 -3.3418 -3.3418 -3.2808 -3.2808 -3.1894 -3.1894 -3.1558 -3.1558 -1.4714 -1.4714 -1.3259 -1.3259 4.3463 4.3463 4.3603 4.3603 6.5341 6.5341 6.6594 6.6594 8.2727 8.2727 8.3045 8.3045 14.1832 14.1832 14.2491 14.2491 16.0921 16.0921 16.1330 16.1330 k = 0.3833 0.4907 0.3096 ( 2076 PWs) bands (ev): -5.3224 -5.3224 -5.2078 -5.2078 -4.1575 -4.1575 -4.0717 -4.0717 -3.8403 -3.8403 -3.6055 -3.6055 -3.3410 -3.3410 -3.2776 -3.2776 -3.1921 -3.1921 -3.1567 -3.1567 -1.4596 -1.4596 -1.3113 -1.3113 4.3608 4.3608 4.3750 4.3750 6.4684 6.4684 6.5956 6.5956 8.2812 8.2812 8.3103 8.3103 14.2633 14.2633 14.3303 14.3303 16.0484 16.0484 16.0958 16.0958 k = 0.3778 0.5004 0.3096 ( 2076 PWs) bands (ev): -5.3233 -5.3233 -5.2063 -5.2063 -4.1572 -4.1572 -4.0677 -4.0677 -3.8464 -3.8464 -3.6062 -3.6062 -3.3402 -3.3402 -3.2744 -3.2744 -3.1946 -3.1946 -3.1575 -3.1575 -1.4482 -1.4482 -1.2976 -1.2976 4.3741 4.3741 4.3886 4.3886 6.4079 6.4079 6.5368 6.5368 8.2891 8.2891 8.3156 8.3156 14.3406 14.3406 14.4088 14.4088 15.9964 15.9964 16.0497 16.0497 k = 0.3722 0.5100 0.3096 ( 2076 PWs) bands (ev): -5.3242 -5.3242 -5.2050 -5.2050 -4.1570 -4.1570 -4.0640 -4.0640 -3.8519 -3.8519 -3.6070 -3.6070 -3.3396 -3.3396 -3.2714 -3.2714 -3.1970 -3.1970 -3.1582 -3.1582 -1.4376 -1.4376 -1.2850 -1.2850 4.3861 4.3861 4.4009 4.4009 6.3531 6.3531 6.4835 6.4835 8.2963 8.2963 8.3203 8.3203 14.4143 14.4143 14.4838 14.4838 15.9396 15.9396 15.9973 15.9973 k = 0.3667 0.5196 0.3096 ( 2072 PWs) bands (ev): -5.3249 -5.3249 -5.2040 -5.2040 -4.1567 -4.1567 -4.0606 -4.0606 -3.8566 -3.8566 -3.6077 -3.6077 -3.3390 -3.3390 -3.2686 -3.2686 -3.1992 -3.1992 -3.1588 -3.1588 -1.4278 -1.4278 -1.2736 -1.2736 4.3966 4.3966 4.4115 4.4115 6.3046 6.3046 6.4364 6.4364 8.3028 8.3028 8.3244 8.3244 14.4834 14.4834 14.5542 14.5542 15.8815 15.8815 15.9423 15.9423 k = 0.3611 0.5292 0.3096 ( 2070 PWs) bands (ev): -5.3255 -5.3255 -5.2032 -5.2032 -4.1565 -4.1565 -4.0577 -4.0577 -3.8606 -3.8606 -3.6084 -3.6084 -3.3386 -3.3386 -3.2660 -3.2660 -3.2012 -3.2012 -3.1593 -3.1593 -1.4191 -1.4191 -1.2635 -1.2635 4.4054 4.4054 4.4205 4.4205 6.2629 6.2629 6.3958 6.3958 8.3086 8.3086 8.3280 8.3280 14.5465 14.5465 14.6187 14.6187 15.8254 15.8254 15.8880 15.8880 k = 0.3556 0.5389 0.3096 ( 2072 PWs) bands (ev): -5.3260 -5.3260 -5.2025 -5.2025 -4.1564 -4.1564 -4.0553 -4.0553 -3.8638 -3.8638 -3.6089 -3.6089 -3.3382 -3.3382 -3.2638 -3.2638 -3.2030 -3.2030 -3.1597 -3.1597 -1.4116 -1.4116 -1.2549 -1.2549 4.4124 4.4124 4.4275 4.4275 6.2284 6.2284 6.3621 6.3621 8.3136 8.3136 8.3309 8.3309 14.6020 14.6020 14.6757 14.6757 15.7743 15.7743 15.8376 15.8376 k = 0.3500 0.5485 0.3096 ( 2072 PWs) bands (ev): -5.3264 -5.3264 -5.2020 -5.2020 -4.1562 -4.1562 -4.0534 -4.0534 -3.8662 -3.8662 -3.6094 -3.6094 -3.3379 -3.3379 -3.2621 -3.2621 -3.2044 -3.2044 -3.1600 -3.1600 -1.4055 -1.4055 -1.2480 -1.2480 4.4175 4.4175 4.4328 4.4328 6.2014 6.2014 6.3358 6.3358 8.3176 8.3176 8.3332 8.3332 14.6482 14.6482 14.7231 14.7231 15.7309 15.7309 15.7943 15.7943 k = 0.3444 0.5581 0.3096 ( 2072 PWs) bands (ev): -5.3267 -5.3267 -5.2017 -5.2017 -4.1561 -4.1561 -4.0520 -4.0520 -3.8679 -3.8679 -3.6097 -3.6097 -3.3378 -3.3378 -3.2607 -3.2607 -3.2054 -3.2054 -3.1603 -3.1603 -1.4009 -1.4009 -1.2429 -1.2429 4.4209 4.4209 4.4362 4.4362 6.1821 6.1821 6.3170 6.3170 8.3206 8.3206 8.3348 8.3348 14.6829 14.6829 14.7588 14.7588 15.6979 15.6979 15.7609 15.7609 k = 0.3389 0.5677 0.3096 ( 2072 PWs) bands (ev): -5.3269 -5.3269 -5.2016 -5.2016 -4.1561 -4.1561 -4.0512 -4.0512 -3.8688 -3.8688 -3.6099 -3.6099 -3.3376 -3.3376 -3.2600 -3.2600 -3.2059 -3.2059 -3.1604 -3.1604 -1.3981 -1.3981 -1.2398 -1.2398 4.4227 4.4227 4.4381 4.4381 6.1706 6.1706 6.3057 6.3057 8.3225 8.3225 8.3358 8.3358 14.7044 14.7044 14.7809 14.7809 15.6774 15.6774 15.7400 15.7400 k = 0.3333 0.5774 0.3096 ( 2082 PWs) bands (ev): -5.3270 -5.3270 -5.2015 -5.2015 -4.1561 -4.1561 -4.0510 -4.0510 -3.8692 -3.8692 -3.6100 -3.6100 -3.3376 -3.3376 -3.2597 -3.2597 -3.2062 -3.2062 -3.1605 -3.1605 -1.3971 -1.3971 -1.2387 -1.2387 4.4232 4.4232 4.4386 4.4386 6.1668 6.1668 6.3020 6.3020 8.3231 8.3231 8.3361 8.3361 14.7116 14.7116 14.7883 14.7883 15.6705 15.6705 15.7329 15.7329 k = 0.3333 0.5774 0.3096 ( 2082 PWs) bands (ev): -5.3270 -5.3270 -5.2015 -5.2015 -4.1561 -4.1561 -4.0510 -4.0510 -3.8692 -3.8692 -3.6100 -3.6100 -3.3376 -3.3376 -3.2597 -3.2597 -3.2062 -3.2062 -3.1605 -3.1605 -1.3971 -1.3971 -1.2387 -1.2387 4.4232 4.4232 4.4386 4.4386 6.1668 6.1668 6.3020 6.3020 8.3231 8.3231 8.3361 8.3361 14.7116 14.7116 14.7883 14.7883 15.6705 15.6705 15.7329 15.7329 k = 0.3278 0.5677 0.3096 ( 2078 PWs) bands (ev): -5.3269 -5.3269 -5.2016 -5.2016 -4.1561 -4.1561 -4.0512 -4.0512 -3.8689 -3.8689 -3.6099 -3.6099 -3.3377 -3.3377 -3.2600 -3.2600 -3.2060 -3.2060 -3.1604 -3.1604 -1.3981 -1.3981 -1.2398 -1.2398 4.4228 4.4228 4.4382 4.4382 6.1705 6.1705 6.3057 6.3057 8.3224 8.3224 8.3357 8.3357 14.7047 14.7047 14.7812 14.7812 15.6771 15.6771 15.7397 15.7397 k = 0.3222 0.5581 0.3096 ( 2078 PWs) bands (ev): -5.3267 -5.3267 -5.2017 -5.2017 -4.1561 -4.1561 -4.0519 -4.0519 -3.8681 -3.8681 -3.6097 -3.6097 -3.3378 -3.3378 -3.2607 -3.2607 -3.2055 -3.2055 -3.1603 -3.1603 -1.4013 -1.4013 -1.2433 -1.2433 4.4220 4.4220 4.4373 4.4373 6.1815 6.1815 6.3164 6.3164 8.3205 8.3205 8.3347 8.3347 14.6851 14.6851 14.7611 14.7611 15.6955 15.6955 15.7586 15.7586 k = 0.3167 0.5485 0.3096 ( 2078 PWs) bands (ev): -5.3264 -5.3264 -5.2018 -5.2018 -4.1562 -4.1562 -4.0531 -4.0531 -3.8669 -3.8669 -3.6094 -3.6094 -3.3379 -3.3379 -3.2617 -3.2617 -3.2049 -3.2049 -3.1601 -3.1601 -1.4067 -1.4067 -1.2491 -1.2491 4.4212 4.4212 4.4364 4.4364 6.1993 6.1993 6.3339 6.3339 8.3173 8.3173 8.3328 8.3328 14.6550 14.6550 14.7303 14.7303 15.7233 15.7233 15.7869 15.7869 k = 0.3111 0.5389 0.3096 ( 2078 PWs) bands (ev): -5.3259 -5.3259 -5.2020 -5.2020 -4.1564 -4.1564 -4.0546 -4.0546 -3.8655 -3.8655 -3.6089 -3.6089 -3.3381 -3.3381 -3.2631 -3.2631 -3.2041 -3.2041 -3.1599 -3.1599 -1.4144 -1.4144 -1.2574 -1.2574 4.4210 4.4210 4.4360 4.4360 6.2235 6.2235 6.3578 6.3578 8.3128 8.3128 8.3300 8.3300 14.6169 14.6169 14.6914 14.6914 15.7577 15.7577 15.8214 15.8214 k = 0.3056 0.5292 0.3096 ( 2078 PWs) bands (ev): -5.3252 -5.3252 -5.2022 -5.2022 -4.1565 -4.1565 -4.0564 -4.0564 -3.8638 -3.8638 -3.6084 -3.6084 -3.3384 -3.3384 -3.2648 -3.2648 -3.2034 -3.2034 -3.1597 -3.1597 -1.4245 -1.4245 -1.2682 -1.2682 4.4219 4.4219 4.4366 4.4366 6.2537 6.2537 6.3877 6.3877 8.3071 8.3071 8.3263 8.3263 14.5731 14.5731 14.6468 14.6468 15.7958 15.7958 15.8588 15.8588 k = 0.3000 0.5196 0.3096 ( 2074 PWs) bands (ev): -5.3244 -5.3244 -5.2024 -5.2024 -4.1567 -4.1567 -4.0584 -4.0584 -3.8621 -3.8621 -3.6077 -3.6077 -3.3387 -3.3387 -3.2665 -3.2665 -3.2026 -3.2026 -3.1594 -3.1594 -1.4371 -1.4371 -1.2815 -1.2815 4.4244 4.4244 4.4388 4.4388 6.2894 6.2894 6.4231 6.4231 8.3003 8.3003 8.3216 8.3216 14.5255 14.5255 14.5983 14.5983 15.8351 15.8351 15.8965 15.8965 k = 0.2944 0.5100 0.3096 ( 2078 PWs) bands (ev): -5.3235 -5.3235 -5.2025 -5.2025 -4.1570 -4.1570 -4.0607 -4.0607 -3.8603 -3.8603 -3.6071 -3.6071 -3.3390 -3.3390 -3.2684 -3.2684 -3.2021 -3.2021 -3.1592 -3.1592 -1.4522 -1.4522 -1.2975 -1.2975 4.4290 4.4290 4.4430 4.4430 6.3301 6.3301 6.4635 6.4635 8.2923 8.2923 8.3159 8.3159 14.4755 14.4755 14.5474 14.5474 15.8731 15.8731 15.9319 15.9319 k = 0.2889 0.5004 0.3096 ( 2078 PWs) bands (ev): -5.3223 -5.3223 -5.2025 -5.2025 -4.1572 -4.1572 -4.0632 -4.0632 -3.8585 -3.8585 -3.6063 -3.6063 -3.3394 -3.3394 -3.2704 -3.2704 -3.2017 -3.2017 -3.1590 -3.1590 -1.4697 -1.4697 -1.3160 -1.3160 4.4361 4.4361 4.4496 4.4496 6.3755 6.3755 6.5085 6.5085 8.2832 8.2832 8.3091 8.3091 14.4241 14.4241 14.4953 14.4953 15.9079 15.9079 15.9631 15.9631 k = 0.2833 0.4907 0.3096 ( 2086 PWs) bands (ev): -5.3210 -5.3210 -5.2025 -5.2025 -4.1575 -4.1575 -4.0658 -4.0658 -3.8569 -3.8569 -3.6056 -3.6056 -3.3399 -3.3399 -3.2724 -3.2724 -3.2016 -3.2016 -3.1588 -3.1588 -1.4897 -1.4897 -1.3372 -1.3372 4.4460 4.4460 4.4590 4.4590 6.4249 6.4249 6.5577 6.5577 8.2730 8.2730 8.3013 8.3013 14.3722 14.3722 14.4426 14.4426 15.9378 15.9378 15.9891 15.9891 k = 0.2778 0.4811 0.3096 ( 2082 PWs) bands (ev): -5.3195 -5.3195 -5.2023 -5.2023 -4.1578 -4.1578 -4.0684 -4.0684 -3.8554 -3.8554 -3.6048 -3.6048 -3.3404 -3.3404 -3.2743 -3.2743 -3.2017 -3.2017 -3.1586 -3.1586 -1.5122 -1.5122 -1.3608 -1.3608 4.4590 4.4590 4.4715 4.4715 6.4783 6.4783 6.6108 6.6108 8.2618 8.2618 8.2925 8.2925 14.3203 14.3203 14.3900 14.3900 15.9619 15.9619 16.0094 16.0094 k = 0.2722 0.4715 0.3096 ( 2082 PWs) bands (ev): -5.3178 -5.3178 -5.2020 -5.2020 -4.1581 -4.1581 -4.0712 -4.0712 -3.8541 -3.8541 -3.6040 -3.6040 -3.3410 -3.3410 -3.2762 -3.2762 -3.2021 -3.2021 -3.1585 -3.1585 -1.5370 -1.5370 -1.3868 -1.3868 4.4754 4.4754 4.4874 4.4874 6.5349 6.5349 6.6672 6.6672 8.2496 8.2496 8.2828 8.2828 14.2689 14.2689 14.3379 14.3379 15.9796 15.9796 16.0242 16.0242 k = 0.2667 0.4619 0.3096 ( 2078 PWs) bands (ev): -5.3159 -5.3159 -5.2016 -5.2016 -4.1584 -4.1584 -4.0739 -4.0739 -3.8530 -3.8530 -3.6033 -3.6033 -3.3417 -3.3417 -3.2781 -3.2781 -3.2028 -3.2028 -3.1585 -3.1585 -1.5641 -1.5641 -1.4151 -1.4151 4.4953 4.4953 4.5069 4.5069 6.5947 6.5947 6.7267 6.7267 8.2366 8.2366 8.2722 8.2722 14.2181 14.2181 14.2866 14.2866 15.9913 15.9913 16.0342 16.0342 k = 0.2611 0.4523 0.3096 ( 2078 PWs) bands (ev): -5.3139 -5.3139 -5.2010 -5.2010 -4.1588 -4.1588 -4.0768 -4.0768 -3.8522 -3.8522 -3.6026 -3.6026 -3.3425 -3.3425 -3.2798 -3.2798 -3.2039 -3.2039 -3.1586 -3.1586 -1.5934 -1.5934 -1.4457 -1.4457 4.5188 4.5188 4.5301 4.5301 6.6572 6.6572 6.7890 6.7890 8.2226 8.2226 8.2608 8.2608 14.1682 14.1682 14.2362 14.2362 15.9978 15.9978 16.0401 16.0401 k = 0.2556 0.4426 0.3096 ( 2078 PWs) bands (ev): -5.3117 -5.3117 -5.2002 -5.2002 -4.1591 -4.1591 -4.0796 -4.0796 -3.8517 -3.8517 -3.6021 -3.6021 -3.3433 -3.3433 -3.2815 -3.2815 -3.2053 -3.2053 -3.1588 -3.1588 -1.6248 -1.6248 -1.4784 -1.4784 4.5459 4.5459 4.5571 4.5571 6.7221 6.7221 6.8536 6.8536 8.2080 8.2080 8.2486 8.2486 14.1192 14.1192 14.1869 14.1869 16.0000 16.0000 16.0426 16.0426 k = 0.2500 0.4330 0.3096 ( 2078 PWs) bands (ev): -5.3092 -5.3092 -5.1993 -5.1993 -4.1595 -4.1595 -4.0825 -4.0825 -3.8515 -3.8515 -3.6017 -3.6017 -3.3442 -3.3442 -3.2830 -3.2830 -3.2071 -3.2071 -3.1591 -3.1591 -1.6581 -1.6581 -1.5130 -1.5130 4.5767 4.5767 4.5879 4.5879 6.7891 6.7891 6.9204 6.9204 8.1928 8.1928 8.2358 8.2358 14.0712 14.0712 14.1386 14.1386 15.9988 15.9988 16.0425 16.0425 k = 0.2444 0.4234 0.3096 ( 2076 PWs) bands (ev): -5.3066 -5.3066 -5.1981 -5.1981 -4.1598 -4.1598 -4.0854 -4.0854 -3.8517 -3.8517 -3.6014 -3.6014 -3.3453 -3.3453 -3.2844 -3.2844 -3.2092 -3.2092 -3.1596 -3.1596 -1.6932 -1.6932 -1.5493 -1.5493 4.6111 4.6111 4.6224 4.6224 6.8580 6.8580 6.9890 6.9890 8.1770 8.1770 8.2225 8.2225 14.0242 14.0242 14.0914 14.0914 15.9951 15.9951 16.0404 16.0404 k = 0.2389 0.4138 0.3096 ( 2080 PWs) bands (ev): -5.3039 -5.3039 -5.1968 -5.1968 -4.1602 -4.1602 -4.0883 -4.0883 -3.8522 -3.8522 -3.6014 -3.6014 -3.3464 -3.3464 -3.2857 -3.2857 -3.2116 -3.2116 -3.1602 -3.1602 -1.7299 -1.7299 -1.5873 -1.5873 4.6490 4.6490 4.6607 4.6607 6.9285 6.9285 7.0591 7.0591 8.1610 8.1610 8.2089 8.2089 13.9782 13.9782 14.0453 14.0453 15.9896 15.9896 16.0368 16.0368 k = 0.2333 0.4041 0.3096 ( 2080 PWs) bands (ev): -5.3009 -5.3009 -5.1953 -5.1953 -4.1606 -4.1606 -4.0912 -4.0912 -3.8530 -3.8530 -3.6015 -3.6015 -3.3476 -3.3476 -3.2868 -3.2868 -3.2144 -3.2144 -3.1609 -3.1609 -1.7681 -1.7681 -1.6266 -1.6266 4.6903 4.6903 4.7026 4.7026 7.0003 7.0003 7.1305 7.1305 8.1447 8.1447 8.1950 8.1950 13.9330 13.9330 14.0001 14.0001 15.9829 15.9829 16.0323 16.0323 k = 0.2278 0.3945 0.3096 ( 2072 PWs) bands (ev): -5.2979 -5.2979 -5.1935 -5.1935 -4.1609 -4.1609 -4.0941 -4.0941 -3.8541 -3.8541 -3.6019 -3.6019 -3.3489 -3.3489 -3.2878 -3.2878 -3.2174 -3.2174 -3.1618 -3.1618 -1.8077 -1.8077 -1.6672 -1.6672 4.7350 4.7350 4.7479 4.7479 7.0732 7.0732 7.2029 7.2029 8.1284 8.1284 8.1812 8.1812 13.8887 13.8887 13.9557 13.9557 15.9755 15.9755 16.0273 16.0273 k = 0.2222 0.3849 0.3096 ( 2072 PWs) bands (ev): -5.2946 -5.2946 -5.1916 -5.1916 -4.1613 -4.1613 -4.0970 -4.0970 -3.8557 -3.8557 -3.6025 -3.6025 -3.3504 -3.3504 -3.2888 -3.2888 -3.2206 -3.2206 -3.1628 -3.1628 -1.8484 -1.8484 -1.7088 -1.7088 4.7828 4.7828 4.7964 4.7964 7.1470 7.1470 7.2760 7.2760 8.1122 8.1122 8.1675 8.1675 13.8449 13.8449 13.9120 13.9120 15.9678 15.9678 16.0222 16.0222 k = 0.2167 0.3753 0.3096 ( 2072 PWs) bands (ev): -5.2912 -5.2912 -5.1895 -5.1895 -4.1618 -4.1618 -4.0999 -4.0999 -3.8576 -3.8576 -3.6033 -3.6033 -3.3519 -3.3519 -3.2896 -3.2896 -3.2241 -3.2241 -3.1640 -3.1640 -1.8900 -1.8900 -1.7512 -1.7512 4.8335 4.8335 4.8479 4.8479 7.2213 7.2213 7.3496 7.3496 8.0965 8.0965 8.1541 8.1541 13.8017 13.8017 13.8689 13.8689 15.9602 15.9602 16.0173 16.0173 k = 0.2111 0.3657 0.3096 ( 2072 PWs) bands (ev): -5.2877 -5.2877 -5.1871 -5.1871 -4.1622 -4.1622 -4.1028 -4.1028 -3.8599 -3.8599 -3.6045 -3.6045 -3.3534 -3.3534 -3.2904 -3.2904 -3.2277 -3.2277 -3.1654 -3.1654 -1.9325 -1.9325 -1.7942 -1.7942 4.8869 4.8869 4.9021 4.9021 7.2959 7.2959 7.4233 7.4233 8.0815 8.0815 8.1414 8.1414 13.7589 13.7589 13.8262 13.8262 15.9530 15.9530 16.0129 16.0129 k = 0.2056 0.3560 0.3096 ( 2072 PWs) bands (ev): -5.2841 -5.2841 -5.1846 -5.1846 -4.1627 -4.1627 -4.1057 -4.1057 -3.8625 -3.8625 -3.6060 -3.6060 -3.3550 -3.3550 -3.2912 -3.2912 -3.2314 -3.2314 -3.1669 -3.1669 -1.9756 -1.9756 -1.8377 -1.8377 4.9429 4.9429 4.9588 4.9588 7.3705 7.3705 7.4968 7.4968 8.0674 8.0674 8.1297 8.1297 13.7163 13.7163 13.7836 13.7836 15.9466 15.9466 16.0093 16.0093 k = 0.2000 0.3464 0.3096 ( 2072 PWs) bands (ev): -5.2804 -5.2804 -5.1819 -5.1819 -4.1632 -4.1632 -4.1086 -4.1086 -3.8655 -3.8655 -3.6078 -3.6078 -3.3567 -3.3567 -3.2920 -3.2920 -3.2351 -3.2351 -3.1686 -3.1686 -2.0193 -2.0193 -1.8814 -1.8814 5.0010 5.0010 5.0176 5.0176 7.4448 7.4448 7.5697 7.5697 8.0547 8.0547 8.1193 8.1193 13.6737 13.6737 13.7411 13.7411 15.9413 15.9413 16.0069 16.0069 k = 0.1944 0.3368 0.3096 ( 2072 PWs) bands (ev): -5.2766 -5.2766 -5.1791 -5.1791 -4.1637 -4.1637 -4.1115 -4.1115 -3.8688 -3.8688 -3.6099 -3.6099 -3.3584 -3.3584 -3.2928 -3.2928 -3.2388 -3.2388 -3.1705 -3.1705 -2.0632 -2.0632 -1.9251 -1.9251 5.0609 5.0609 5.0783 5.0783 7.5185 7.5185 7.6415 7.6415 8.0439 8.0439 8.1107 8.1107 13.6309 13.6309 13.6984 13.6984 15.9372 15.9372 16.0058 16.0058 k = 0.1889 0.3272 0.3096 ( 2076 PWs) bands (ev): -5.2727 -5.2727 -5.1760 -5.1760 -4.1644 -4.1644 -4.1145 -4.1145 -3.8725 -3.8725 -3.6123 -3.6123 -3.3601 -3.3601 -3.2938 -3.2938 -3.2423 -3.2423 -3.1725 -3.1725 -2.1073 -2.1073 -1.9688 -1.9688 5.1224 5.1224 5.1404 5.1404 7.5909 7.5909 7.7114 7.7114 8.0358 8.0358 8.1044 8.1044 13.5878 13.5878 13.6554 13.6554 15.9347 15.9347 16.0062 16.0062 k = 0.1833 0.3175 0.3096 ( 2084 PWs) bands (ev): -5.2688 -5.2688 -5.1729 -5.1729 -4.1651 -4.1651 -4.1174 -4.1174 -3.8766 -3.8766 -3.6151 -3.6151 -3.3618 -3.3618 -3.2950 -3.2950 -3.2456 -3.2456 -3.1747 -3.1747 -2.1514 -2.1514 -2.0122 -2.0122 5.1852 5.1852 5.2037 5.2037 7.6616 7.6616 7.7782 7.7782 8.0316 8.0316 8.1013 8.1013 13.5441 13.5441 13.6118 13.6118 15.9341 15.9341 16.0084 16.0084 k = 0.1778 0.3079 0.3096 ( 2084 PWs) bands (ev): -5.2648 -5.2648 -5.1696 -5.1696 -4.1659 -4.1659 -4.1203 -4.1203 -3.8809 -3.8809 -3.6182 -3.6182 -3.3634 -3.3634 -3.2964 -3.2964 -3.2486 -3.2486 -3.1770 -3.1770 -2.1954 -2.1954 -2.0551 -2.0551 5.2487 5.2487 5.2677 5.2677 7.7294 7.7294 7.8394 7.8394 8.0334 8.0334 8.1029 8.1029 13.4998 13.4998 13.5674 13.5674 15.9354 15.9354 16.0127 16.0127 k = 0.1722 0.2983 0.3096 ( 2080 PWs) bands (ev): -5.2608 -5.2608 -5.1663 -5.1663 -4.1668 -4.1668 -4.1233 -4.1233 -3.8855 -3.8855 -3.6216 -3.6216 -3.3651 -3.3651 -3.2980 -3.2980 -3.2511 -3.2511 -3.1794 -3.1794 -2.2391 -2.2391 -2.0975 -2.0975 5.3127 5.3127 5.3320 5.3320 7.7928 7.7928 7.8914 7.8914 8.0447 8.0447 8.1114 8.1114 13.4547 13.4547 13.5221 13.5221 15.9390 15.9390 16.0191 16.0191 k = 0.1667 0.2887 0.3096 ( 2080 PWs) bands (ev): -5.2567 -5.2567 -5.1629 -5.1629 -4.1678 -4.1678 -4.1262 -4.1262 -3.8903 -3.8903 -3.6253 -3.6253 -3.3667 -3.3667 -3.3000 -3.3000 -3.2532 -3.2532 -3.1820 -3.1820 -2.2824 -2.2824 -2.1392 -2.1392 5.3767 5.3767 5.3963 5.3963 7.8489 7.8489 7.9305 7.9305 8.0680 8.0680 8.1309 8.1309 13.4085 13.4085 13.4758 13.4758 15.9450 15.9450 16.0278 16.0278 k = 0.1611 0.2791 0.3096 ( 2076 PWs) bands (ev): -5.2527 -5.2527 -5.1594 -5.1594 -4.1690 -4.1690 -4.1292 -4.1292 -3.8954 -3.8954 -3.6292 -3.6292 -3.3682 -3.3682 -3.3024 -3.3024 -3.2548 -3.2548 -3.1846 -3.1846 -2.3251 -2.3251 -2.1802 -2.1802 5.4402 5.4402 5.4600 5.4600 7.8938 7.8938 7.9593 7.9593 8.1011 8.1011 8.1653 8.1653 13.3612 13.3612 13.4282 13.4282 15.9536 15.9536 16.0389 16.0389 k = 0.1556 0.2694 0.3096 ( 2076 PWs) bands (ev): -5.2486 -5.2486 -5.1559 -5.1559 -4.1703 -4.1703 -4.1322 -4.1322 -3.9005 -3.9005 -3.6334 -3.6334 -3.3697 -3.3697 -3.3051 -3.3051 -3.2559 -3.2559 -3.1873 -3.1873 -2.3671 -2.3671 -2.2203 -2.2203 5.5029 5.5029 5.5228 5.5228 7.9252 7.9252 7.9848 7.9848 8.1413 8.1413 8.2129 8.2129 13.3127 13.3127 13.3793 13.3793 15.9647 15.9647 16.0524 16.0524 k = 0.1500 0.2598 0.3096 ( 2064 PWs) bands (ev): -5.2445 -5.2445 -5.1525 -5.1525 -4.1717 -4.1717 -4.1353 -4.1353 -3.9057 -3.9057 -3.6377 -3.6377 -3.3711 -3.3711 -3.3081 -3.3081 -3.2565 -3.2565 -3.1900 -3.1900 -2.4083 -2.4083 -2.2594 -2.2594 5.5642 5.5642 5.5842 5.5842 7.9470 7.9470 8.0093 8.0093 8.1887 8.1887 8.2678 8.2678 13.2627 13.2627 13.3290 13.3290 15.9785 15.9785 16.0684 16.0684 k = 0.1444 0.2502 0.3096 ( 2060 PWs) bands (ev): -5.2405 -5.2405 -5.1490 -5.1490 -4.1734 -4.1734 -4.1385 -4.1385 -3.9109 -3.9109 -3.6423 -3.6423 -3.3725 -3.3725 -3.3115 -3.3115 -3.2567 -3.2567 -3.1927 -3.1927 -2.4485 -2.4485 -2.2976 -2.2976 5.6238 5.6238 5.6437 5.6437 7.9655 7.9655 8.0329 8.0329 8.2417 8.2417 8.3255 8.3255 13.2113 13.2113 13.2771 13.2771 15.9949 15.9949 16.0869 16.0869 k = 0.1389 0.2406 0.3096 ( 2056 PWs) bands (ev): -5.2365 -5.2365 -5.1457 -5.1457 -4.1752 -4.1752 -4.1417 -4.1417 -3.9159 -3.9159 -3.6470 -3.6470 -3.3739 -3.3739 -3.3151 -3.3151 -3.2564 -3.2564 -3.1954 -3.1954 -2.4876 -2.4876 -2.3347 -2.3347 5.6812 5.6812 5.7010 5.7010 7.9846 7.9846 8.0567 8.0567 8.2977 8.2977 8.3836 8.3836 13.1585 13.1585 13.2237 13.2237 16.0140 16.0140 16.1076 16.1076 k = 0.1333 0.2309 0.3096 ( 2056 PWs) bands (ev): -5.2326 -5.2326 -5.1425 -5.1425 -4.1772 -4.1772 -4.1452 -4.1452 -3.9208 -3.9208 -3.6519 -3.6519 -3.3753 -3.3753 -3.3189 -3.3189 -3.2559 -3.2559 -3.1981 -3.1981 -2.5255 -2.5255 -2.3707 -2.3707 5.7359 5.7359 5.7556 5.7556 8.0063 8.0063 8.0823 8.0823 8.3548 8.3548 8.4410 8.4410 13.1041 13.1041 13.1686 13.1686 16.0356 16.0356 16.1306 16.1306 k = 0.1278 0.2213 0.3096 ( 2056 PWs) bands (ev): -5.2287 -5.2287 -5.1394 -5.1394 -4.1793 -4.1793 -4.1488 -4.1488 -3.9253 -3.9253 -3.6570 -3.6570 -3.3767 -3.3767 -3.3229 -3.3229 -3.2549 -3.2549 -3.2007 -3.2007 -2.5621 -2.5621 -2.4057 -2.4057 5.7877 5.7877 5.8071 5.8071 8.0316 8.0316 8.1107 8.1107 8.4117 8.4117 8.4971 8.4971 13.0481 13.0481 13.1119 13.1119 16.0596 16.0596 16.1556 16.1556 k = 0.1222 0.2117 0.3096 ( 2052 PWs) bands (ev): -5.2249 -5.2249 -5.1366 -5.1366 -4.1817 -4.1817 -4.1526 -4.1526 -3.9293 -3.9293 -3.6622 -3.6622 -3.3780 -3.3780 -3.3272 -3.3272 -3.2537 -3.2537 -3.2031 -3.2031 -2.5973 -2.5973 -2.4396 -2.4396 5.8362 5.8362 5.8554 5.8554 8.0611 8.0611 8.1427 8.1427 8.4676 8.4676 8.5513 8.5513 12.9907 12.9907 13.0536 13.0536 16.0857 16.0857 16.1823 16.1823 k = 0.1167 0.2021 0.3096 ( 2052 PWs) bands (ev): -5.2211 -5.2211 -5.1339 -5.1339 -4.1841 -4.1841 -4.1566 -4.1566 -3.9329 -3.9329 -3.6674 -3.6674 -3.3794 -3.3794 -3.3316 -3.3316 -3.2523 -3.2523 -3.2054 -3.2054 -2.6309 -2.6309 -2.4723 -2.4723 5.8813 5.8813 5.9001 5.9001 8.0950 8.0950 8.1785 8.1785 8.5221 8.5221 8.6036 8.6036 12.9318 12.9318 12.9939 12.9939 16.1138 16.1138 16.2105 16.2105 k = 0.1111 0.1925 0.3096 ( 2044 PWs) bands (ev): -5.2174 -5.2174 -5.1315 -5.1315 -4.1867 -4.1867 -4.1608 -4.1608 -3.9357 -3.9357 -3.6729 -3.6729 -3.3808 -3.3808 -3.3361 -3.3361 -3.2505 -3.2505 -3.2076 -3.2076 -2.6629 -2.6629 -2.5039 -2.5039 5.9227 5.9227 5.9412 5.9412 8.1335 8.1335 8.2183 8.2183 8.5748 8.5748 8.6537 8.6537 12.8717 12.8717 12.9327 12.9327 16.1434 16.1434 16.2399 16.2399 k = 0.1056 0.1828 0.3096 ( 2040 PWs) bands (ev): -5.2137 -5.2137 -5.1294 -5.1294 -4.1894 -4.1894 -4.1653 -4.1653 -3.9379 -3.9379 -3.6784 -3.6784 -3.3823 -3.3823 -3.3408 -3.3408 -3.2486 -3.2486 -3.2095 -3.2095 -2.6932 -2.6932 -2.5343 -2.5343 5.9603 5.9603 5.9784 5.9784 8.1765 8.1765 8.2622 8.2622 8.6254 8.6254 8.7014 8.7014 12.8103 12.8103 12.8703 12.8703 16.1744 16.1744 16.2699 16.2699 k = 0.1000 0.1732 0.3096 ( 2036 PWs) bands (ev): -5.2101 -5.2101 -5.1275 -5.1275 -4.1921 -4.1921 -4.1700 -4.1700 -3.9393 -3.9393 -3.6842 -3.6842 -3.3838 -3.3838 -3.3456 -3.3456 -3.2465 -3.2465 -3.2112 -3.2112 -2.7217 -2.7217 -2.5637 -2.5637 5.9942 5.9942 6.0117 6.0117 8.2239 8.2239 8.3099 8.3099 8.6738 8.6738 8.7466 8.7466 12.7478 12.7478 12.8067 12.8067 16.2062 16.2062 16.3004 16.3004 k = 0.0944 0.1636 0.3096 ( 2042 PWs) bands (ev): -5.2065 -5.2065 -5.1260 -5.1260 -4.1950 -4.1950 -4.1748 -4.1748 -3.9398 -3.9398 -3.6901 -3.6901 -3.3854 -3.3854 -3.3506 -3.3506 -3.2442 -3.2442 -3.2127 -3.2127 -2.7484 -2.7484 -2.5919 -2.5919 6.0245 6.0245 6.0414 6.0414 8.2753 8.2753 8.3612 8.3612 8.7198 8.7198 8.7893 8.7893 12.6845 12.6845 12.7422 12.7422 16.2386 16.2386 16.3307 16.3307 k = 0.0889 0.1540 0.3096 ( 2040 PWs) bands (ev): -5.2030 -5.2030 -5.1248 -5.1248 -4.1979 -4.1979 -4.1798 -4.1798 -3.9395 -3.9395 -3.6963 -3.6963 -3.3870 -3.3870 -3.3556 -3.3556 -3.2418 -3.2418 -3.2139 -3.2139 -2.7731 -2.7731 -2.6191 -2.6191 6.0512 6.0512 6.0674 6.0674 8.3305 8.3305 8.4156 8.4156 8.7634 8.7634 8.8294 8.8294 12.6206 12.6206 12.6770 12.6770 16.2710 16.2710 16.3606 16.3606 k = 0.0833 0.1443 0.3096 ( 2040 PWs) bands (ev): -5.1996 -5.1996 -5.1240 -5.1240 -4.2008 -4.2008 -4.1849 -4.1849 -3.9383 -3.9383 -3.7027 -3.7027 -3.3887 -3.3887 -3.3607 -3.3607 -3.2392 -3.2392 -3.2149 -3.2149 -2.7960 -2.7960 -2.6451 -2.6451 6.0747 6.0747 6.0901 6.0901 8.3887 8.3887 8.4727 8.4727 8.8045 8.8045 8.8668 8.8668 12.5564 12.5564 12.6113 12.6113 16.3032 16.3032 16.3896 16.3896 k = 0.0778 0.1347 0.3096 ( 2040 PWs) bands (ev): -5.1961 -5.1961 -5.1236 -5.1236 -4.2037 -4.2037 -4.1899 -4.1899 -3.9362 -3.9362 -3.7094 -3.7094 -3.3904 -3.3904 -3.3658 -3.3658 -3.2365 -3.2365 -3.2156 -3.2156 -2.8168 -2.8168 -2.6700 -2.6700 6.0950 6.0950 6.1096 6.1096 8.4495 8.4495 8.5319 8.5319 8.8431 8.8431 8.9017 8.9017 12.4922 12.4922 12.5456 12.5456 16.3346 16.3346 16.4174 16.4174 k = 0.0722 0.1251 0.3096 ( 2036 PWs) bands (ev): -5.1927 -5.1927 -5.1235 -5.1235 -4.2065 -4.2065 -4.1949 -4.1949 -3.9332 -3.9332 -3.7164 -3.7164 -3.3921 -3.3921 -3.3708 -3.3708 -3.2338 -3.2338 -3.2161 -3.2161 -2.8355 -2.8355 -2.6938 -2.6938 6.1125 6.1125 6.1262 6.1262 8.5123 8.5123 8.5925 8.5925 8.8792 8.8792 8.9339 8.9339 12.4284 12.4284 12.4801 12.4801 16.3651 16.3651 16.4437 16.4437 k = 0.0667 0.1155 0.3096 ( 2036 PWs) bands (ev): -5.1894 -5.1894 -5.1238 -5.1238 -4.2093 -4.2093 -4.1997 -4.1997 -3.9294 -3.9294 -3.7237 -3.7237 -3.3939 -3.3939 -3.3757 -3.3757 -3.2311 -3.2311 -3.2163 -3.2163 -2.8523 -2.8523 -2.7166 -2.7166 6.1275 6.1275 6.1402 6.1402 8.5761 8.5761 8.6538 8.6538 8.9127 8.9127 8.9634 8.9634 12.3654 12.3654 12.4152 12.4152 16.3942 16.3942 16.4681 16.4681 k = 0.0611 0.1058 0.3096 ( 2036 PWs) bands (ev): -5.1860 -5.1860 -5.1244 -5.1244 -4.2121 -4.2121 -4.2042 -4.2042 -3.9248 -3.9248 -3.7315 -3.7315 -3.3957 -3.3957 -3.3803 -3.3803 -3.2284 -3.2284 -3.2164 -3.2164 -2.8670 -2.8670 -2.7382 -2.7382 6.1402 6.1402 6.1518 6.1518 8.6404 8.6404 8.7149 8.7149 8.9436 8.9436 8.9903 8.9903 12.3038 12.3038 12.3515 12.3515 16.4216 16.4216 16.4905 16.4905 k = 0.0556 0.0962 0.3096 ( 2040 PWs) bands (ev): -5.1827 -5.1827 -5.1254 -5.1254 -4.2147 -4.2147 -4.2086 -4.2086 -3.9195 -3.9195 -3.7396 -3.7396 -3.3974 -3.3974 -3.3848 -3.3848 -3.2258 -3.2258 -3.2163 -3.2163 -2.8796 -2.8796 -2.7588 -2.7588 6.1508 6.1508 6.1614 6.1614 8.7041 8.7041 8.7749 8.7749 8.9720 8.9720 9.0146 9.0146 12.2441 12.2441 12.2894 12.2894 16.4472 16.4472 16.5106 16.5106 k = 0.0500 0.0866 0.3096 ( 2040 PWs) bands (ev): -5.1793 -5.1793 -5.1267 -5.1267 -4.2172 -4.2172 -4.2125 -4.2125 -3.9135 -3.9135 -3.7480 -3.7480 -3.3991 -3.3991 -3.3889 -3.3889 -3.2233 -3.2233 -3.2161 -3.2161 -2.8902 -2.8902 -2.7782 -2.7782 6.1597 6.1597 6.1692 6.1692 8.7664 8.7664 8.8331 8.8331 8.9978 8.9978 9.0363 9.0363 12.1870 12.1870 12.2296 12.2296 16.4708 16.4708 16.5285 16.5285 k = 0.0444 0.0770 0.3096 ( 2048 PWs) bands (ev): -5.1760 -5.1760 -5.1284 -5.1284 -4.2196 -4.2196 -4.2162 -4.2162 -3.9068 -3.9068 -3.7569 -3.7569 -3.4008 -3.4008 -3.3928 -3.3928 -3.2210 -3.2210 -3.2157 -3.2157 -2.8988 -2.8988 -2.7965 -2.7965 6.1670 6.1670 6.1755 6.1755 8.8264 8.8264 8.8883 8.8883 9.0210 9.0210 9.0554 9.0554 12.1332 12.1332 12.1727 12.1727 16.4923 16.4923 16.5440 16.5440 k = 0.0389 0.0674 0.3096 ( 2054 PWs) bands (ev): -5.1726 -5.1726 -5.1303 -5.1303 -4.2218 -4.2218 -4.2194 -4.2194 -3.8995 -3.8995 -3.7661 -3.7661 -3.4024 -3.4024 -3.3962 -3.3962 -3.2189 -3.2189 -3.2152 -3.2152 -2.9053 -2.9053 -2.8136 -2.8136 6.1730 6.1730 6.1805 6.1805 8.8830 8.8830 8.9397 8.9397 9.0418 9.0418 9.0720 9.0720 12.0834 12.0834 12.1194 12.1194 16.5117 16.5117 16.5572 16.5572 k = 0.0333 0.0577 0.3096 ( 2062 PWs) bands (ev): -5.1693 -5.1693 -5.1325 -5.1325 -4.2238 -4.2238 -4.2223 -4.2223 -3.8916 -3.8916 -3.7755 -3.7755 -3.4038 -3.4038 -3.3992 -3.3992 -3.2171 -3.2171 -3.2147 -3.2147 -2.9099 -2.9099 -2.8296 -2.8296 6.1780 6.1780 6.1843 6.1843 8.9353 8.9353 8.9861 8.9861 9.0602 9.0602 9.0862 9.0862 12.0384 12.0384 12.0705 12.0705 16.5288 16.5288 16.5680 16.5680 k = 0.0278 0.0481 0.3096 ( 2062 PWs) bands (ev): -5.1659 -5.1659 -5.1349 -5.1349 -4.2255 -4.2255 -4.2246 -4.2246 -3.8832 -3.8832 -3.7853 -3.7853 -3.4051 -3.4051 -3.4017 -3.4017 -3.2156 -3.2156 -3.2141 -3.2141 -2.9125 -2.9125 -2.8444 -2.8444 6.1819 6.1819 6.1872 6.1872 8.9823 8.9823 9.0265 9.0265 9.0765 9.0765 9.0981 9.0981 11.9990 11.9990 12.0267 12.0267 16.5437 16.5437 16.5765 16.5765 k = 0.0222 0.0385 0.3096 ( 2070 PWs) bands (ev): -5.1626 -5.1626 -5.1375 -5.1375 -4.2270 -4.2270 -4.2265 -4.2265 -3.8744 -3.8744 -3.7952 -3.7952 -3.4062 -3.4062 -3.4038 -3.4038 -3.2144 -3.2144 -3.2136 -3.2136 -2.9132 -2.9132 -2.8579 -2.8579 6.1850 6.1850 6.1893 6.1893 9.0227 9.0227 9.0594 9.0594 9.0908 9.0908 9.1077 9.1077 11.9660 11.9660 11.9889 11.9889 16.5565 16.5565 16.5828 16.5828 k = 0.0167 0.0289 0.3096 ( 2070 PWs) bands (ev): -5.1593 -5.1593 -5.1403 -5.1403 -4.2282 -4.2282 -4.2280 -4.2280 -3.8652 -3.8652 -3.8053 -3.8053 -3.4070 -3.4070 -3.4054 -3.4054 -3.2134 -3.2134 -3.2131 -3.2131 -2.9120 -2.9120 -2.8700 -2.8700 6.1875 6.1875 6.1907 6.1907 9.0556 9.0556 9.0831 9.0831 9.1044 9.1044 9.1155 9.1155 11.9402 11.9402 11.9578 11.9578 16.5670 16.5670 16.5868 16.5868 k = 0.0111 0.0192 0.3096 ( 2066 PWs) bands (ev): -5.1559 -5.1559 -5.1432 -5.1432 -4.2290 -4.2290 -4.2290 -4.2290 -3.8556 -3.8556 -3.8155 -3.8155 -3.4076 -3.4076 -3.4066 -3.4066 -3.2128 -3.2128 -3.2127 -3.2127 -2.9091 -2.9091 -2.8808 -2.8808 6.1893 6.1893 6.1914 6.1914 9.0799 9.0799 9.0967 9.0967 9.1172 9.1172 9.1217 9.1217 11.9222 11.9222 11.9342 11.9342 16.5755 16.5755 16.5887 16.5887 k = 0.0056 0.0096 0.3096 ( 2062 PWs) bands (ev): -5.1527 -5.1527 -5.1463 -5.1463 -4.2296 -4.2296 -4.2296 -4.2296 -3.8458 -3.8458 -3.8257 -3.8257 -3.4078 -3.4078 -3.4074 -3.4074 -3.2124 -3.2124 -3.2124 -3.2124 -2.9044 -2.9044 -2.8902 -2.8902 6.1906 6.1906 6.1917 6.1917 9.0951 9.0951 9.1025 9.1025 9.1260 9.1260 9.1267 9.1267 11.9125 11.9125 11.9185 11.9185 16.5819 16.5819 16.5885 16.5885 k = 0.0000 0.0000 0.3096 ( 2062 PWs) bands (ev): -5.1494 -5.1494 -5.1494 -5.1494 -4.2298 -4.2298 -4.2298 -4.2298 -3.8358 -3.8358 -3.8358 -3.8358 -3.4078 -3.4078 -3.4078 -3.4078 -3.2123 -3.2123 -3.2123 -3.2123 -2.8981 -2.8981 -2.8981 -2.8981 6.1914 6.1914 6.1914 6.1914 9.1021 9.1021 9.1021 9.1021 9.1289 9.1289 9.1289 9.1289 11.9112 11.9112 11.9112 11.9112 16.5863 16.5863 16.5863 16.5863 k = 0.5000 0.2887 0.3096 ( 2068 PWs) bands (ev): -5.2761 -5.2761 -5.2761 -5.2761 -4.1480 -4.1480 -4.1480 -4.1480 -3.6517 -3.6517 -3.6517 -3.6517 -3.3400 -3.3400 -3.3400 -3.3400 -3.1472 -3.1472 -3.1472 -3.1472 -1.5987 -1.5987 -1.5987 -1.5987 4.1307 4.1307 4.1307 4.1307 7.8977 7.8977 7.8977 7.8977 8.0390 8.0390 8.0390 8.0390 12.9840 12.9840 12.9840 12.9840 16.0856 16.0856 16.0856 16.0856 k = 0.5000 0.2887 0.2986 ( 2072 PWs) bands (ev): -5.2797 -5.2797 -5.2727 -5.2727 -4.1516 -4.1516 -4.1445 -4.1445 -3.6610 -3.6610 -3.6424 -3.6424 -3.3433 -3.3433 -3.3367 -3.3367 -3.1511 -3.1511 -3.1433 -3.1433 -1.6124 -1.6124 -1.5848 -1.5848 4.1068 4.1068 4.1569 4.1569 7.8559 7.8559 7.9314 7.9314 7.9872 7.9872 8.0940 8.0940 12.9277 12.9277 13.0443 13.0443 16.0787 16.0787 16.0869 16.0869 k = 0.5000 0.2887 0.2875 ( 2076 PWs) bands (ev): -5.2835 -5.2835 -5.2695 -5.2695 -4.1550 -4.1550 -4.1408 -4.1408 -3.6702 -3.6702 -3.6331 -3.6331 -3.3466 -3.3466 -3.3333 -3.3333 -3.1552 -3.1552 -3.1396 -3.1396 -1.6256 -1.6256 -1.5706 -1.5706 4.0853 4.0853 4.1854 4.1854 7.8108 7.8108 7.9056 7.9056 7.9921 7.9921 8.1449 8.1449 12.8762 12.8762 13.1078 13.1078 16.0666 16.0666 16.0822 16.0822 k = 0.5000 0.2887 0.2765 ( 2076 PWs) bands (ev): -5.2874 -5.2874 -5.2665 -5.2665 -4.1583 -4.1583 -4.1371 -4.1371 -3.6792 -3.6792 -3.6238 -3.6238 -3.3497 -3.3497 -3.3299 -3.3299 -3.1592 -3.1592 -3.1360 -3.1360 -1.6385 -1.6385 -1.5561 -1.5561 4.0664 4.0664 4.2161 4.2161 7.7607 7.7607 7.8479 7.8479 8.0293 8.0293 8.1906 8.1906 12.8303 12.8303 13.1737 13.1737 16.0504 16.0504 16.0713 16.0713 k = 0.5000 0.2887 0.2654 ( 2076 PWs) bands (ev): -5.2914 -5.2914 -5.2637 -5.2637 -4.1615 -4.1615 -4.1334 -4.1334 -3.6881 -3.6881 -3.6146 -3.6146 -3.3528 -3.3528 -3.3264 -3.3264 -3.1634 -3.1634 -3.1326 -3.1326 -1.6509 -1.6509 -1.5414 -1.5414 4.0500 4.0500 4.2488 4.2488 7.7024 7.7024 7.7925 7.7925 8.0686 8.0686 8.2301 8.2301 12.7907 12.7907 13.2410 13.2410 16.0307 16.0307 16.0544 16.0544 k = 0.5000 0.2887 0.2543 ( 2074 PWs) bands (ev): -5.2956 -5.2956 -5.2611 -5.2611 -4.1646 -4.1646 -4.1296 -4.1296 -3.6968 -3.6968 -3.6055 -3.6055 -3.3558 -3.3558 -3.3229 -3.3229 -3.1675 -3.1675 -3.1293 -3.1293 -1.6629 -1.6629 -1.5267 -1.5267 4.0361 4.0361 4.2835 4.2835 7.6347 7.6347 7.7435 7.7435 8.1078 8.1078 8.2632 8.2632 12.7579 12.7579 13.3089 13.3089 16.0083 16.0083 16.0321 16.0321 k = 0.5000 0.2887 0.2433 ( 2068 PWs) bands (ev): -5.2998 -5.2998 -5.2587 -5.2587 -4.1676 -4.1676 -4.1258 -4.1258 -3.7054 -3.7054 -3.5964 -3.5964 -3.3587 -3.3587 -3.3193 -3.3193 -3.1715 -3.1715 -3.1263 -3.1263 -1.6744 -1.6744 -1.5118 -1.5118 4.0249 4.0249 4.3200 4.3200 7.5596 7.5596 7.7000 7.7000 8.1464 8.1464 8.2895 8.2895 12.7325 12.7325 13.3765 13.3765 15.9830 15.9830 16.0057 16.0057 k = 0.5000 0.2887 0.2322 ( 2074 PWs) bands (ev): -5.3041 -5.3041 -5.2566 -5.2566 -4.1705 -4.1705 -4.1221 -4.1221 -3.7137 -3.7137 -3.5876 -3.5876 -3.3615 -3.3615 -3.3158 -3.3158 -3.1756 -3.1756 -3.1235 -3.1235 -1.6853 -1.6853 -1.4970 -1.4970 4.0163 4.0163 4.3581 4.3581 7.4797 7.4797 7.6600 7.6600 8.1839 8.1839 8.3091 8.3091 12.7148 12.7148 13.4430 13.4430 15.9529 15.9529 15.9786 15.9786 k = 0.5000 0.2887 0.2212 ( 2076 PWs) bands (ev): -5.3085 -5.3085 -5.2547 -5.2547 -4.1733 -4.1733 -4.1183 -4.1183 -3.7217 -3.7217 -3.5790 -3.5790 -3.3642 -3.3642 -3.3122 -3.3122 -3.1796 -3.1796 -3.1209 -3.1209 -1.6958 -1.6958 -1.4822 -1.4822 4.0104 4.0104 4.3976 4.3976 7.3968 7.3968 7.6224 7.6224 8.2198 8.2198 8.3226 8.3226 12.7050 12.7050 13.5077 13.5077 15.9157 15.9157 15.9545 15.9545 k = 0.5000 0.2887 0.2101 ( 2080 PWs) bands (ev): -5.3129 -5.3129 -5.2531 -5.2531 -4.1760 -4.1760 -4.1146 -4.1146 -3.7294 -3.7294 -3.5706 -3.5706 -3.3668 -3.3668 -3.3086 -3.3086 -3.1835 -3.1835 -3.1185 -3.1185 -1.7058 -1.7058 -1.4676 -1.4676 4.0070 4.0070 4.4385 4.4385 7.3122 7.3122 7.5867 7.5867 8.2523 8.2523 8.3313 8.3313 12.7032 12.7032 13.5697 13.5697 15.8719 15.8719 15.9339 15.9339 k = 0.5000 0.2887 0.1991 ( 2078 PWs) bands (ev): -5.3172 -5.3172 -5.2516 -5.2516 -4.1785 -4.1785 -4.1110 -4.1110 -3.7368 -3.7368 -3.5625 -3.5625 -3.3692 -3.3692 -3.3050 -3.3050 -3.1873 -3.1873 -3.1164 -3.1164 -1.7152 -1.7152 -1.4531 -1.4531 4.0061 4.0061 4.4804 4.4804 7.2266 7.2266 7.5526 7.5526 8.2770 8.2770 8.3401 8.3401 12.7094 12.7094 13.6284 13.6284 15.8229 15.8229 15.9167 15.9167 k = 0.5000 0.2887 0.1880 ( 2074 PWs) bands (ev): -5.3215 -5.3215 -5.2503 -5.2503 -4.1809 -4.1809 -4.1074 -4.1074 -3.7439 -3.7439 -3.5547 -3.5547 -3.3715 -3.3715 -3.3014 -3.3014 -3.1910 -3.1910 -3.1145 -3.1145 -1.7240 -1.7240 -1.4390 -1.4390 4.0078 4.0078 4.5232 4.5232 7.1407 7.1407 7.5201 7.5201 8.2858 8.2858 8.3573 8.3573 12.7233 12.7233 13.6834 13.6834 15.7694 15.7694 15.9027 15.9027 k = 0.5000 0.2887 0.1769 ( 2076 PWs) bands (ev): -5.3257 -5.3257 -5.2492 -5.2492 -4.1832 -4.1832 -4.1039 -4.1039 -3.7506 -3.7506 -3.5472 -3.5472 -3.3737 -3.3737 -3.2978 -3.2978 -3.1946 -3.1946 -3.1129 -3.1129 -1.7324 -1.7324 -1.4252 -1.4252 4.0117 4.0117 4.5666 4.5666 7.0551 7.0551 7.4892 7.4892 8.2786 8.2786 8.3834 8.3834 12.7445 12.7445 13.7341 13.7341 15.7120 15.7120 15.8922 15.8922 k = 0.5000 0.2887 0.1659 ( 2080 PWs) bands (ev): -5.3298 -5.3298 -5.2483 -5.2483 -4.1853 -4.1853 -4.1005 -4.1005 -3.7570 -3.7570 -3.5401 -3.5401 -3.3757 -3.3757 -3.2942 -3.2942 -3.1980 -3.1980 -3.1115 -3.1115 -1.7401 -1.7401 -1.4118 -1.4118 4.0179 4.0179 4.6104 4.6104 6.9703 6.9703 7.4597 7.4597 8.2616 8.2616 8.4126 8.4126 12.7727 12.7727 13.7803 13.7803 15.6512 15.6512 15.8851 15.8851 k = 0.5000 0.2887 0.1548 ( 2078 PWs) bands (ev): -5.3338 -5.3338 -5.2476 -5.2476 -4.1874 -4.1874 -4.0973 -4.0973 -3.7630 -3.7630 -3.5334 -3.5334 -3.3776 -3.3776 -3.2906 -3.2906 -3.2013 -3.2013 -3.1103 -3.1103 -1.7474 -1.7474 -1.3989 -1.3989 4.0262 4.0262 4.6542 4.6542 6.8870 6.8870 7.4320 7.4320 8.2384 8.2384 8.4420 8.4420 12.8072 12.8072 13.8217 13.8217 15.5876 15.5876 15.8814 15.8814 k = 0.5000 0.2887 0.1438 ( 2078 PWs) bands (ev): -5.3377 -5.3377 -5.2470 -5.2470 -4.1893 -4.1893 -4.0942 -4.0942 -3.7686 -3.7686 -3.5271 -3.5271 -3.3793 -3.3793 -3.2871 -3.2871 -3.2045 -3.2045 -3.1094 -3.1094 -1.7541 -1.7541 -1.3865 -1.3865 4.0364 4.0364 4.6978 4.6978 6.8056 6.8056 7.4058 7.4058 8.2107 8.2107 8.4706 8.4706 12.8473 12.8473 13.8584 13.8584 15.5217 15.5217 15.8810 15.8810 k = 0.5000 0.2887 0.1327 ( 2074 PWs) bands (ev): -5.3413 -5.3413 -5.2465 -5.2465 -4.1910 -4.1910 -4.0913 -4.0913 -3.7737 -3.7737 -3.5213 -3.5213 -3.3809 -3.3809 -3.2836 -3.2836 -3.2074 -3.2074 -3.1086 -3.1086 -1.7603 -1.7603 -1.3748 -1.3748 4.0483 4.0483 4.7408 4.7408 6.7267 6.7267 7.3814 7.3814 8.1797 8.1797 8.4979 8.4979 12.8923 12.8923 13.8904 13.8904 15.4540 15.4540 15.8833 15.8833 k = 0.5000 0.2887 0.1216 ( 2070 PWs) bands (ev): -5.3448 -5.3448 -5.2461 -5.2461 -4.1926 -4.1926 -4.0886 -4.0886 -3.7785 -3.7784 -3.5159 -3.5159 -3.3823 -3.3823 -3.2802 -3.2802 -3.2103 -3.2103 -3.1080 -3.1080 -1.7659 -1.7659 -1.3638 -1.3638 4.0615 4.0615 4.7828 4.7828 6.6508 6.6508 7.3587 7.3587 8.1465 8.1465 8.5236 8.5236 12.9413 12.9413 13.9180 13.9180 15.3851 15.3851 15.8881 15.8881 k = 0.5000 0.2887 0.1106 ( 2066 PWs) bands (ev): -5.3481 -5.3481 -5.2458 -5.2458 -4.1942 -4.1942 -4.0861 -4.0861 -3.7828 -3.7828 -3.5110 -3.5110 -3.3835 -3.3835 -3.2768 -3.2768 -3.2129 -3.2129 -3.1076 -3.1076 -1.7710 -1.7710 -1.3535 -1.3535 4.0757 4.0757 4.8234 4.8234 6.5786 6.5786 7.3378 7.3378 8.1120 8.1120 8.5476 8.5476 12.9935 12.9935 13.9414 13.9414 15.3157 15.3157 15.8948 15.8948 k = 0.5000 0.2887 0.0995 ( 2070 PWs) bands (ev): -5.3511 -5.3511 -5.2457 -5.2457 -4.1955 -4.1955 -4.0838 -4.0838 -3.7867 -3.7867 -3.5066 -3.5066 -3.3846 -3.3846 -3.2736 -3.2736 -3.2155 -3.2155 -3.1073 -3.1073 -1.7757 -1.7757 -1.3440 -1.3440 4.0907 4.0907 4.8621 4.8621 6.5105 6.5105 7.3188 7.3188 8.0772 8.0772 8.5696 8.5696 13.0477 13.0477 13.9609 13.9609 15.2465 15.2465 15.9029 15.9029 k = 0.5000 0.2887 0.0885 ( 2070 PWs) bands (ev): -5.3538 -5.3538 -5.2455 -5.2455 -4.1967 -4.1967 -4.0817 -4.0817 -3.7902 -3.7902 -3.5027 -3.5027 -3.3856 -3.3856 -3.2705 -3.2705 -3.2179 -3.2179 -3.1072 -3.1072 -1.7798 -1.7798 -1.3354 -1.3354 4.1060 4.1060 4.8986 4.8986 6.4471 6.4471 7.3015 7.3015 8.0430 8.0430 8.5898 8.5898 13.1029 13.1029 13.9770 13.9770 15.1785 15.1785 15.9118 15.9118 k = 0.5000 0.2887 0.0774 ( 2070 PWs) bands (ev): -5.3563 -5.3563 -5.2455 -5.2455 -4.1978 -4.1978 -4.0799 -4.0799 -3.7932 -3.7932 -3.4992 -3.4992 -3.3864 -3.3864 -3.2675 -3.2675 -3.2201 -3.2201 -3.1072 -3.1072 -1.7834 -1.7834 -1.3277 -1.3277 4.1211 4.1211 4.9323 4.9323 6.3891 6.3891 7.2863 7.2863 8.0103 8.0103 8.6077 8.6077 13.1577 13.1577 13.9901 13.9901 15.1128 15.1128 15.9210 15.9210 k = 0.5000 0.2887 0.0664 ( 2070 PWs) bands (ev): -5.3585 -5.3585 -5.2455 -5.2455 -4.1988 -4.1988 -4.0783 -4.0783 -3.7958 -3.7958 -3.4963 -3.4963 -3.3870 -3.3870 -3.2647 -3.2647 -3.2222 -3.2222 -3.1072 -3.1072 -1.7865 -1.7865 -1.3209 -1.3209 4.1355 4.1355 4.9628 4.9628 6.3372 6.3372 7.2730 7.2730 7.9800 7.9800 8.6234 8.6234 13.2108 13.2108 14.0006 14.0006 15.0507 15.0507 15.9300 15.9300 k = 0.5000 0.2887 0.0553 ( 2066 PWs) bands (ev): -5.3603 -5.3603 -5.2455 -5.2455 -4.1996 -4.1996 -4.0769 -4.0769 -3.7980 -3.7980 -3.4938 -3.4938 -3.3876 -3.3876 -3.2621 -3.2621 -3.2240 -3.2240 -3.1073 -3.1073 -1.7891 -1.7891 -1.3151 -1.3151 4.1489 4.1489 4.9895 4.9895 6.2920 6.2920 7.2617 7.2617 7.9529 7.9529 8.6368 8.6368 13.2606 13.2606 14.0088 14.0088 14.9935 14.9935 15.9383 15.9383 k = 0.5000 0.2887 0.0442 ( 2068 PWs) bands (ev): -5.3619 -5.3619 -5.2455 -5.2455 -4.2002 -4.2002 -4.0758 -4.0758 -3.7999 -3.7999 -3.4918 -3.4918 -3.3880 -3.3880 -3.2598 -3.2598 -3.2257 -3.2257 -3.1074 -3.1074 -1.7912 -1.7912 -1.3103 -1.3103 4.1607 4.1607 5.0121 5.0121 6.2540 6.2540 7.2523 7.2523 7.9296 7.9296 8.6479 8.6479 13.3052 13.3052 14.0150 14.0150 14.9430 14.9430 15.9457 15.9457 k = 0.5000 0.2887 0.0332 ( 2070 PWs) bands (ev): -5.3631 -5.3631 -5.2455 -5.2455 -4.2008 -4.2008 -4.0749 -4.0749 -3.8013 -3.8013 -3.4902 -3.4902 -3.3883 -3.3883 -3.2579 -3.2579 -3.2271 -3.2271 -3.1075 -3.1075 -1.7929 -1.7929 -1.3065 -1.3065 4.1704 4.1704 5.0302 5.0302 6.2237 6.2237 7.2451 7.2451 7.9108 7.9108 8.6565 8.6565 13.3427 13.3427 14.0196 14.0196 14.9009 14.9009 15.9517 15.9517 k = 0.5000 0.2887 0.0221 ( 2074 PWs) bands (ev): -5.3640 -5.3640 -5.2455 -5.2455 -4.2011 -4.2011 -4.0743 -4.0743 -3.8023 -3.8023 -3.4891 -3.4891 -3.3886 -3.3886 -3.2564 -3.2564 -3.2283 -3.2283 -3.1076 -3.1076 -1.7941 -1.7941 -1.3038 -1.3038 4.1776 4.1776 5.0434 5.0434 6.2018 6.2018 7.2399 7.2399 7.8970 7.8970 8.6627 8.6627 13.3713 13.3713 14.0227 14.0227 14.8690 14.8690 15.9561 15.9561 k = 0.5000 0.2887 0.0111 ( 2070 PWs) bands (ev): -5.3645 -5.3645 -5.2455 -5.2455 -4.2013 -4.2013 -4.0739 -4.0739 -3.8029 -3.8029 -3.4884 -3.4884 -3.3887 -3.3887 -3.2554 -3.2554 -3.2290 -3.2290 -3.1076 -3.1076 -1.7948 -1.7948 -1.3022 -1.3022 4.1821 4.1821 5.0514 5.0514 6.1885 6.1885 7.2368 7.2368 7.8885 7.8885 8.6666 8.6666 13.3893 13.3893 14.0246 14.0246 14.8492 14.8492 15.9588 15.9588 k = 0.5000 0.2887-0.0000 ( 2068 PWs) bands (ev): -5.3647 -5.3647 -5.2455 -5.2455 -4.2014 -4.2014 -4.0738 -4.0738 -3.8031 -3.8031 -3.4882 -3.4882 -3.3887 -3.3887 -3.2551 -3.2551 -3.2292 -3.2292 -3.1076 -3.1076 -1.7950 -1.7950 -1.3017 -1.3017 4.1836 4.1836 5.0541 5.0541 6.1840 6.1840 7.2357 7.2357 7.8857 7.8857 8.6679 8.6679 13.3954 13.3954 14.0251 14.0251 14.8425 14.8425 15.9598 15.9598 k = 0.3333 0.5774-0.0000 ( 2073 PWs) bands (ev): -5.3605 -5.3605 -5.3193 -5.1209 -4.1831 -4.1831 -4.0606 -4.0518 -4.0518 -3.7013 -3.4979 -3.4979 -3.3686 -3.3686 -3.2377 -3.2238 -3.2193 -3.2193 -3.1685 -3.1685 -1.3710 -1.3710 -1.2997 -1.1618 4.9541 4.9597 4.9611 4.9611 5.2978 5.2978 7.1205 7.2316 7.2316 7.2919 7.4182 7.4182 14.5289 14.5289 15.2886 15.3031 15.3143 15.3143 16.2955 16.2955 k = 0.3333 0.5774 0.0111 ( 2079 PWs) bands (ev): -5.3604 -5.3604 -5.3191 -5.1210 -4.1830 -4.1830 -4.0604 -4.0518 -4.0518 -3.7015 -3.4985 -3.4985 -3.3682 -3.3682 -3.2378 -3.2240 -3.2194 -3.2194 -3.1685 -3.1685 -1.3711 -1.3711 -1.2996 -1.1619 4.9517 4.9574 4.9589 4.9589 5.2991 5.2991 7.1245 7.2352 7.2352 7.2956 7.4163 7.4163 14.5313 14.5313 15.2876 15.3021 15.3134 15.3134 16.2948 16.2948 k = 0.3333 0.5774 0.0221 ( 2085 PWs) bands (ev): -5.3601 -5.3601 -5.3184 -5.1212 -4.1828 -4.1828 -4.0595 -4.0518 -4.0518 -3.7022 -3.5001 -3.5001 -3.3672 -3.3672 -3.2380 -3.2244 -3.2194 -3.2194 -3.1685 -3.1685 -1.3713 -1.3713 -1.2994 -1.1623 4.9446 4.9506 4.9522 4.9522 5.3031 5.3031 7.1367 7.2457 7.2457 7.3068 7.4107 7.4107 14.5386 14.5386 15.2846 15.2989 15.3107 15.3107 16.2929 16.2929 k = 0.3333 0.5774 0.0332 ( 2085 PWs) bands (ev): -5.3596 -5.3596 -5.3174 -5.1217 -4.1823 -4.1823 -4.0581 -4.0518 -4.0518 -3.7032 -3.5027 -3.5027 -3.3654 -3.3654 -3.2383 -3.2250 -3.2194 -3.2194 -3.1685 -3.1685 -1.3717 -1.3717 -1.2990 -1.1630 4.9330 4.9396 4.9412 4.9412 5.3099 5.3099 7.1567 7.2626 7.2626 7.3252 7.4018 7.4018 14.5507 14.5507 15.2795 15.2937 15.3063 15.3063 16.2898 16.2898 k = 0.3333 0.5774 0.0442 ( 2076 PWs) bands (ev): -5.3589 -5.3589 -5.3160 -5.1223 -4.1817 -4.1817 -4.0560 -4.0518 -4.0518 -3.7046 -3.5062 -3.5062 -3.3631 -3.3631 -3.2386 -3.2258 -3.2193 -3.2193 -3.1685 -3.1685 -1.3723 -1.3723 -1.2984 -1.1639 4.9173 4.9247 4.9264 4.9264 5.3193 5.3193 7.1842 7.2842 7.2842 7.3505 7.3910 7.3910 14.5676 14.5676 15.2724 15.2864 15.3000 15.3000 16.2855 16.2855 k = 0.3333 0.5774 0.0553 ( 2076 PWs) bands (ev): -5.3580 -5.3580 -5.3142 -5.1231 -4.1810 -4.1810 -4.0535 -4.0518 -4.0518 -3.7065 -3.5105 -3.5105 -3.3605 -3.3605 -3.2391 -3.2269 -3.2193 -3.2193 -3.1685 -3.1685 -1.3730 -1.3730 -1.2977 -1.1651 4.8978 4.9061 4.9079 4.9079 5.3314 5.3314 7.2186 7.3051 7.3051 7.3822 7.3833 7.3833 14.5889 14.5889 15.2631 15.2768 15.2918 15.2918 16.2798 16.2798 k = 0.3333 0.5774 0.0664 ( 2082 PWs) bands (ev): -5.3569 -5.3569 -5.3120 -5.1241 -4.1802 -4.1802 -4.0518 -4.0518 -4.0504 -3.7089 -3.5154 -3.5154 -3.3577 -3.3577 -3.2397 -3.2283 -3.2192 -3.2192 -3.1684 -3.1684 -1.3738 -1.3738 -1.2968 -1.1665 4.8753 4.8844 4.8864 4.8864 5.3462 5.3462 7.2591 7.3108 7.3108 7.3926 7.3926 7.4195 14.6146 14.6146 15.2515 15.2650 15.2817 15.2817 16.2728 16.2728 k = 0.3333 0.5774 0.0774 ( 2082 PWs) bands (ev): -5.3557 -5.3557 -5.3094 -5.1252 -4.1792 -4.1792 -4.0518 -4.0518 -4.0467 -3.7116 -3.5208 -3.5208 -3.3547 -3.3547 -3.2405 -3.2298 -3.2190 -3.2190 -3.1684 -3.1684 -1.3748 -1.3748 -1.2957 -1.1681 4.8501 4.8602 4.8624 4.8624 5.3636 5.3636 7.2955 7.2955 7.3052 7.4244 7.4244 7.4620 14.6445 14.6445 15.2376 15.2508 15.2695 15.2695 16.2645 16.2645 k = 0.3333 0.5774 0.0885 ( 2082 PWs) bands (ev): -5.3543 -5.3543 -5.3064 -5.1266 -4.1780 -4.1780 -4.0518 -4.0518 -4.0424 -3.7148 -3.5265 -3.5265 -3.3518 -3.3518 -3.2413 -3.2315 -3.2188 -3.2188 -3.1683 -3.1683 -1.3759 -1.3759 -1.2945 -1.1700 4.8229 4.8338 4.8363 4.8363 5.3835 5.3835 7.2694 7.2694 7.3562 7.4679 7.4679 7.5090 14.6783 14.6783 15.2213 15.2343 15.2553 15.2553 16.2549 16.2549 k = 0.3333 0.5774 0.0995 ( 2082 PWs) bands (ev): -5.3528 -5.3528 -5.3031 -5.1282 -4.1768 -4.1768 -4.0518 -4.0518 -4.0377 -3.7185 -3.5324 -3.5324 -3.3489 -3.3489 -3.2421 -3.2333 -3.2185 -3.2185 -3.1681 -3.1681 -1.3770 -1.3770 -1.2931 -1.1721 4.7941 4.8058 4.8086 4.8086 5.4060 5.4060 7.2376 7.2376 7.4112 7.5175 7.5175 7.5597 14.7157 14.7157 15.2025 15.2153 15.2389 15.2389 16.2438 16.2438 k = 0.3333 0.5774 0.1106 ( 2082 PWs) bands (ev): -5.3512 -5.3512 -5.2995 -5.1300 -4.1755 -4.1755 -4.0518 -4.0518 -4.0323 -3.7226 -3.5385 -3.5385 -3.3463 -3.3463 -3.2431 -3.2352 -3.2181 -3.2181 -3.1680 -3.1680 -1.3783 -1.3783 -1.2916 -1.1745 4.7644 4.7767 4.7799 4.7799 5.4311 5.4311 7.2017 7.2017 7.4695 7.5712 7.5712 7.6133 14.7564 14.7564 15.1811 15.1938 15.2203 15.2203 16.2312 16.2312 k = 0.3333 0.5774 0.1216 ( 2082 PWs) bands (ev): -5.3495 -5.3495 -5.2955 -5.1320 -4.1741 -4.1741 -4.0518 -4.0518 -4.0265 -3.7272 -3.5447 -3.5447 -3.3439 -3.3439 -3.2441 -3.2372 -3.2176 -3.2176 -3.1678 -3.1678 -1.3797 -1.3797 -1.2899 -1.1770 4.7342 4.7470 4.7505 4.7505 5.4585 5.4585 7.1622 7.1622 7.5304 7.6278 7.6278 7.6693 14.8001 14.8001 15.1572 15.1698 15.1996 15.1996 16.2172 16.2172 k = 0.3333 0.5774 0.1327 ( 2082 PWs) bands (ev): -5.3477 -5.3477 -5.2913 -5.1343 -4.1726 -4.1726 -4.0518 -4.0518 -4.0201 -3.7322 -3.5509 -3.5509 -3.3419 -3.3419 -3.2452 -3.2393 -3.2169 -3.2169 -3.1675 -3.1675 -1.3811 -1.3811 -1.2880 -1.1798 4.7040 4.7170 4.7210 4.7210 5.4884 5.4884 7.1198 7.1198 7.5932 7.6863 7.6863 7.7267 14.8463 14.8463 15.1306 15.1433 15.1767 15.1767 16.2015 16.2015 k = 0.3333 0.5774 0.1438 ( 2076 PWs) bands (ev): -5.3458 -5.3458 -5.2867 -5.1367 -4.1711 -4.1711 -4.0518 -4.0518 -4.0133 -3.7377 -3.5570 -3.5570 -3.3401 -3.3401 -3.2463 -3.2414 -3.2162 -3.2162 -3.1671 -3.1671 -1.3825 -1.3825 -1.2859 -1.1827 4.6740 4.6872 4.6918 4.6918 5.5206 5.5206 7.0746 7.0746 7.6571 7.7459 7.7459 7.7850 14.8946 14.8946 15.1017 15.1145 15.1520 15.1520 16.1844 16.1844 k = 0.3333 0.5774 0.1548 ( 2076 PWs) bands (ev): -5.3440 -5.3440 -5.2819 -5.1395 -4.1696 -4.1696 -4.0517 -4.0517 -4.0060 -3.7437 -3.5630 -3.5630 -3.3387 -3.3387 -3.2475 -3.2435 -3.2153 -3.2153 -3.1668 -3.1668 -1.3840 -1.3840 -1.2837 -1.1858 4.6448 4.6579 4.6630 4.6630 5.5550 5.5550 7.0271 7.0271 7.7215 7.8060 7.8060 7.8435 14.9443 14.9443 15.0705 15.0836 15.1259 15.1259 16.1655 16.1655 k = 0.3333 0.5774 0.1659 ( 2082 PWs) bands (ev): -5.3421 -5.3421 -5.2769 -5.1424 -4.1681 -4.1681 -4.0517 -4.0517 -3.9982 -3.7502 -3.5688 -3.5687 -3.3376 -3.3376 -3.2487 -3.2456 -3.2144 -3.2144 -3.1663 -3.1663 -1.3854 -1.3854 -1.2814 -1.1890 4.6165 4.6294 4.6351 4.6351 5.5917 5.5917 6.9774 6.9774 7.7857 7.8657 7.8657 7.9013 14.9933 14.9933 15.0374 15.0508 15.1003 15.1003 16.1449 16.1449 k = 0.3333 0.5774 0.1769 ( 2094 PWs) bands (ev): -5.3403 -5.3403 -5.2717 -5.1456 -4.1667 -4.1667 -4.0517 -4.0517 -3.9900 -3.7571 -3.5743 -3.5743 -3.3369 -3.3369 -3.2500 -3.2476 -3.2135 -3.2135 -3.1659 -3.1659 -1.3869 -1.3869 -1.2789 -1.1924 4.5894 4.6020 4.6084 4.6084 5.6304 5.6304 6.9258 6.9258 7.8489 7.9244 7.9244 7.9578 15.0027 15.0164 15.0296 15.0296 15.0873 15.0873 16.1226 16.1226 k = 0.3333 0.5774 0.1880 ( 2094 PWs) bands (ev): -5.3384 -5.3384 -5.2663 -5.1491 -4.1652 -4.1652 -4.0516 -4.0516 -3.9814 -3.7645 -3.5796 -3.5796 -3.3364 -3.3364 -3.2512 -3.2495 -3.2126 -3.2126 -3.1653 -3.1653 -1.3883 -1.3883 -1.2763 -1.1960 4.5639 4.5759 4.5830 4.5831 5.6712 5.6712 6.8726 6.8726 7.9107 7.9814 7.9815 8.0125 14.9672 14.9811 15.0202 15.0202 15.1200 15.1200 16.0985 16.0985 k = 0.3333 0.5774 0.1991 ( 2088 PWs) bands (ev): -5.3367 -5.3367 -5.2607 -5.1528 -4.1638 -4.1638 -4.0515 -4.0515 -3.9724 -3.7723 -3.5845 -3.5845 -3.3361 -3.3361 -3.2523 -3.2513 -3.2116 -3.2116 -3.1647 -3.1647 -1.3897 -1.3897 -1.2734 -1.1996 4.5401 4.5515 4.5593 4.5593 5.7139 5.7139 6.8182 6.8182 7.9703 8.0362 8.0362 8.0647 14.9313 14.9453 14.9923 14.9923 15.1714 15.1714 16.0725 16.0725 k = 0.3333 0.5774 0.2101 ( 2088 PWs) bands (ev): -5.3350 -5.3350 -5.2549 -5.1567 -4.1625 -4.1625 -4.0514 -4.0514 -3.9630 -3.7806 -3.5891 -3.5891 -3.3360 -3.3360 -3.2535 -3.2529 -3.2106 -3.2106 -3.1641 -3.1641 -1.3910 -1.3910 -1.2705 -1.2033 4.5181 4.5287 4.5373 4.5373 5.7583 5.7583 6.7625 6.7625 8.0271 8.0881 8.0881 8.1136 14.8957 14.9097 14.9617 14.9617 15.2259 15.2259 16.0447 16.0447 k = 0.3333 0.5774 0.2212 ( 2082 PWs) bands (ev): -5.3335 -5.3335 -5.2491 -5.1609 -4.1612 -4.1612 -4.0513 -4.0513 -3.9533 -3.7892 -3.5933 -3.5933 -3.3361 -3.3361 -3.2545 -3.2544 -3.2097 -3.2097 -3.1635 -3.1635 -1.3921 -1.3921 -1.2674 -1.2071 4.4982 4.5079 4.5172 4.5172 5.8045 5.8045 6.7061 6.7061 8.0806 8.1365 8.1365 8.1588 14.8614 14.8750 14.9310 14.9310 15.2813 15.2813 16.0149 16.0149 k = 0.3333 0.5774 0.2322 ( 2073 PWs) bands (ev): -5.3320 -5.3320 -5.2432 -5.1652 -4.1600 -4.1600 -4.0513 -4.0513 -3.9433 -3.7982 -3.5971 -3.5971 -3.3362 -3.3362 -3.2557 -3.2555 -3.2089 -3.2089 -3.1629 -3.1629 -1.3932 -1.3932 -1.2642 -1.2110 4.4804 4.4891 4.4993 4.4993 5.8522 5.8522 6.6491 6.6491 8.1300 8.1807 8.1807 8.1995 14.8289 14.8419 14.9016 14.9016 15.3367 15.3367 15.9832 15.9832 k = 0.3333 0.5774 0.2433 ( 2073 PWs) bands (ev): -5.3307 -5.3307 -5.2372 -5.1699 -4.1590 -4.1590 -4.0512 -4.0512 -3.9331 -3.8076 -3.6004 -3.6004 -3.3365 -3.3365 -3.2568 -3.2565 -3.2082 -3.2082 -3.1623 -3.1623 -1.3942 -1.3942 -1.2608 -1.2149 4.4649 4.4725 4.4834 4.4834 5.9013 5.9013 6.5917 6.5917 8.1748 8.2203 8.2203 8.2352 14.7991 14.8111 14.8741 14.8741 15.3916 15.3916 15.9495 15.9495 k = 0.3333 0.5774 0.2543 ( 2067 PWs) bands (ev): -5.3296 -5.3296 -5.2311 -5.1747 -4.1581 -4.1581 -4.0511 -4.0511 -3.9227 -3.8172 -3.6033 -3.6033 -3.3367 -3.3367 -3.2578 -3.2573 -3.2076 -3.2076 -3.1618 -3.1618 -1.3951 -1.3951 -1.2574 -1.2188 4.4517 4.4582 4.4699 4.4699 5.9514 5.9514 6.5343 6.5343 8.2147 8.2547 8.2547 8.2656 14.7728 14.7834 14.8495 14.8495 15.4457 15.4457 15.9139 15.9139 k = 0.3333 0.5774 0.2654 ( 2079 PWs) bands (ev): -5.3287 -5.3287 -5.2251 -5.1797 -4.1574 -4.1574 -4.0511 -4.0511 -3.9122 -3.8272 -3.6057 -3.6057 -3.3370 -3.3370 -3.2586 -3.2581 -3.2071 -3.2071 -3.1613 -3.1613 -1.3958 -1.3958 -1.2538 -1.2229 4.4410 4.4462 4.4587 4.4587 6.0024 6.0024 6.4773 6.4773 8.2488 8.2834 8.2834 8.2900 14.7505 14.7595 14.8283 14.8283 15.4987 15.4987 15.8764 15.8764 k = 0.3333 0.5774 0.2765 ( 2079 PWs) bands (ev): -5.3280 -5.3280 -5.2192 -5.1849 -4.1568 -4.1568 -4.0510 -4.0510 -3.9015 -3.8374 -3.6075 -3.6075 -3.3373 -3.3373 -3.2591 -3.2587 -3.2067 -3.2067 -3.1610 -3.1610 -1.3964 -1.3964 -1.2502 -1.2269 4.4327 4.4367 4.4499 4.4499 6.0534 6.0534 6.4216 6.4216 8.2771 8.3062 8.3062 8.3082 14.7329 14.7399 14.8111 14.8111 15.5502 15.5502 15.8372 15.8372 k = 0.3333 0.5774 0.2875 ( 2079 PWs) bands (ev): -5.3274 -5.3274 -5.2132 -5.1903 -4.1564 -4.1564 -4.0510 -4.0510 -3.8907 -3.8479 -3.6089 -3.6089 -3.3375 -3.3375 -3.2595 -3.2592 -3.2064 -3.2064 -3.1607 -3.1607 -1.3968 -1.3968 -1.2464 -1.2308 4.4270 4.4297 4.4437 4.4437 6.1029 6.1029 6.3687 6.3687 8.2990 8.3199 8.3227 8.3227 14.7203 14.7252 14.7986 14.7986 15.5995 15.5995 15.7967 15.7967 k = 0.3333 0.5774 0.2986 ( 2079 PWs) bands (ev): -5.3271 -5.3271 -5.2073 -5.1959 -4.1561 -4.1561 -4.0510 -4.0510 -3.8799 -3.8585 -3.6097 -3.6097 -3.3376 -3.3376 -3.2597 -3.2595 -3.2062 -3.2062 -3.1605 -3.1605 -1.3970 -1.3970 -1.2426 -1.2348 4.4238 4.4252 4.4399 4.4399 6.1461 6.1461 6.3234 6.3234 8.3144 8.3249 8.3327 8.3327 14.7132 14.7157 14.7909 14.7909 15.6446 15.6446 15.7571 15.7571 k = 0.3333 0.5774 0.3096 ( 2082 PWs) bands (ev): -5.3270 -5.3270 -5.2015 -5.2015 -4.1561 -4.1561 -4.0510 -4.0510 -3.8692 -3.8692 -3.6100 -3.6100 -3.3376 -3.3376 -3.2597 -3.2597 -3.2062 -3.2062 -3.1605 -3.1605 -1.3971 -1.3971 -1.2387 -1.2387 4.4232 4.4232 4.4386 4.4386 6.1668 6.1668 6.3020 6.3020 8.3231 8.3231 8.3361 8.3361 14.7116 14.7116 14.7883 14.7883 15.6705 15.6705 15.7329 15.7329 Writing output data file InN.save init_run : 4.05s CPU 13.41s WALL ( 1 calls) electrons : 392.34s CPU 400.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.40s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 392.31s CPU 400.09s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.91s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.11s CPU 0.52s WALL ( 1 calls) newd : 0.31s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.32s WALL ( 377 calls) cegterg : 256.32s CPU 258.51s WALL ( 624 calls) Called by sum_band: Called by *egterg: h_psi : 106.11s CPU 110.35s WALL ( 9333 calls) s_psi : 11.74s CPU 12.37s WALL ( 9333 calls) g_psi : 0.21s CPU 0.28s WALL ( 8332 calls) cdiaghg : 101.58s CPU 100.53s WALL ( 8709 calls) cegterg:over : 25.82s CPU 23.24s WALL ( 8332 calls) cegterg:upda : 2.59s CPU 4.35s WALL ( 8332 calls) cegterg:last : 2.95s CPU 3.62s WALL ( 1755 calls) Called by h_psi: h_psi:vloc : 80.73s CPU 84.91s WALL ( 9333 calls) h_psi:vnl : 25.29s CPU 25.18s WALL ( 9333 calls) add_vuspsi : 6.28s CPU 9.08s WALL ( 9333 calls) General routines calbec : 18.97s CPU 16.00s WALL ( 9333 calls) fft : 0.56s CPU 1.35s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 76.05s CPU 79.80s WALL ( 924340 calls) interpolate : 0.02s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 5.49s WALL ( 754 calls) Parallel routines fft_scatter : 52.99s CPU 55.67s WALL ( 924363 calls) PWSCF : 7m35.74s CPU 9m42.70s WALL This run was terminated on: 11:55:34 26Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=